A0A067Y2M1_ORYSJ Loading...

beta-glucosidase

AlphaFold DB (Q75I93), UniProt , Accession A0A067Y2M1, Species ORYSJ (Oryza sativa subsp. japonica, Rice), Gene n/a, Length 504 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	51.3	Low	53	Low	221 Å²	221	124.8 Å²	124.8	100%	1.089	69%	0.693	S	S	*	*				0	-17.6	0	-81.6	-178.6	-177	0	0	114.7
2	A	50.5	Low	53.7	Low	87 Å²	87	124 Å²	124	72%	0.719	69%	0.685	S	S	*	*			trans	-71.7	-35.1	179.5	0	0	0	0	0	114.7	R4 R5	A2-R4 VanDerWaalsContact C-N 3.35Å; A2-R4 PolarHBondContact O-N 2.78Å; A2-R5 PolarHBondContact O-N 3.46Å
3	A	48.9	Very low	54.6	Low	86 Å²	86	122.2 Å²	122.2	71%	0.711	68%	0.679	S	S	*	*	H	α-helix	trans	-71.2	-21.5	-177.1	0	0	0	0	0	115
4	R	47.2	Very low	54.8	Low	222 Å²	222	121 Å²	121	84%	0.838	67%	0.67	S	S	*	*	H	α-helix	trans	-82.3	-17	177.9	-79.5	-173.9	178.5	-174.1	-0.3	113.8	A2	A2-R4 VanDerWaalsContact C-N 3.35Å; A2-R4 PolarHBondContact O-N 2.78Å
5	R	48.6	Very low	55	Low	207 Å²	207	116.3 Å²	116.3	78%	0.781	65%	0.653	S	S	*	*	H	α-helix	trans	-83.2	-26.6	179	-73.6	-174.6	175.4	-177.5	-1.2	113.1	A2	A2-R5 PolarHBondContact O-N 3.46Å
6	A	51.2	Low	55.1	Low	63 Å²	63	116 Å²	116	52%	0.521	65%	0.649	S	S	.	*	H	α-helix	trans	-70.6	-36.3	178.1	0	0	0	0	0	113.1	A9 L10	A6-A9 PolarHBondContact O-N 3.37Å; A6-L10 PolarHBondContact O-N 3.27Å
7	N	51.9	Low	55.2	Low	117 Å²	117	112.7 Å²	112.7	63%	0.626	64%	0.64	S	S	*	*	H	α-helix	trans	-71.8	-30.9	179.4	-82.8	0.3	0	0	0	113.6	V11	N7-V11 WeakPolarHBondContact O-CG2 3.32Å; N7-V11 PolarHBondContact O-N 3.02Å
8	C	54.9	Low	55.1	Low	89 Å²	89	113.2 Å²	113.2	60%	0.601	64%	0.64	S	S	*	*	H	α-helix	trans	-71.1	-33	175.4	-74.6	0	0	0	0	112.6	L12	C8-L12 PolarHBondContact O-N 3.38Å
9	A	57.7	Low	54.9	Low	59 Å²	59	113.3 Å²	113.3	49%	0.488	64%	0.638	S	S	.	*	H	α-helix	trans	-69.7	-39.3	177.8	0	0	0	0	0	111.9	A6 L12 V13	A6-A9 PolarHBondContact O-N 3.37Å; A9-L12 PolarHBondContact O-N 2.88Å; A9-V13 WeakPolarHBondContact O-CG2 3.43Å; A9-V13 PolarHBondContact O-N 3.22Å
10	L	56.3	Low	54.8	Low	119 Å²	119	111.4 Å²	111.4	62%	0.623	64%	0.637	S	S	*	*	H	α-helix	trans	-68.2	-38	179.9	-146.9	84.2	0	0	0	112.5	A6 V13 L14	A6-L10 PolarHBondContact O-N 3.27Å; L10-V13 PolarHBondContact O-N 2.85Å; L10-L14 PolarHBondContact O-N 2.87Å
11	V	65	Low	54.6	Low	103 Å²	103	109.3 Å²	109.3	62%	0.624	63%	0.633	S	S	*	*	H	α-helix	trans	-68.6	-35.3	177	174.3	0	0	0	0	111.5	N7 A15	N7-V11 WeakPolarHBondContact O-CG2 3.32Å; N7-V11 PolarHBondContact O-N 3.02Å; V11-A15 WeakPolarHBondContact O-CB 3.33Å; V11-A15 PolarHBondContact O-N 3.46Å; V11-A15 VanDerWaalsContact O-N 3.09Å
12	L	61.4	Low	54.5	Low	115 Å²	115	109.3 Å²	109.3	60%	0.602	62%	0.621	S	S	*	*	H	α-helix	trans	-68.1	-39.1	176.2	-124.7	95.5	0	0	0	112.4	C8 A9 A15 L16	C8-L12 PolarHBondContact O-N 3.38Å; A9-L12 PolarHBondContact O-N 2.88Å; L12-A15 PolarHBondContact O-N 2.7Å; L12-L16 PolarHBondContact O-N 3.31Å
13	V	65	Low	54.3	Low	100 Å²	100	112.5 Å²	112.5	61%	0.606	63%	0.626	S	S	*	*	H	α-helix	trans	-69	-38	179.3	174.1	0	0	0	0	111.4	A9 L10 L16 A17	A9-V13 WeakPolarHBondContact O-CG2 3.43Å; A9-V13 PolarHBondContact O-N 3.22Å; L10-V13 PolarHBondContact O-N 2.85Å; V13-L16 PolarHBondContact O-N 3.04Å; V13-A17 PolarHBondContact O-N 3.43Å
14	L	56.9	Low	53.9	Low	106 Å²	106	112.6 Å²	112.6	56%	0.555	63%	0.627	S	S	*	*	H	α-helix	trans	-67.4	-37.1	173.8	-98.2	136.6	0	0	0	112.7	L10 A17 L18	L10-L14 PolarHBondContact O-N 2.87Å; L14-A17 PolarHBondContact O-N 3.45Å; L14-L18 WeakPolarHBondContact O-CD1 3.27Å; L14-L18 PolarHBondContact O-N 2.54Å; L14-L18 VanDerWaalsContact O-N 3.16Å
15	A	58.4	Low	53.6	Low	50 Å²	50	105.4 Å²	105.4	41%	0.413	62%	0.622	S	S	.	*	H	α-helix	trans	-66.9	-37.5	175.4	0	0	0	0	0	112.6	V11 L12 L19	V11-A15 WeakPolarHBondContact O-CB 3.33Å; V11-A15 PolarHBondContact O-N 3.46Å; V11-A15 VanDerWaalsContact O-N 3.09Å; L12-A15 PolarHBondContact O-N 2.7Å; A15-L19 WeakPolarHBondContact O-CD1 3.42Å; A15-L19 PolarHBondContact O-N 2.77Å
16	L	56.6	Low	53.2	Low	112 Å²	112	100.6 Å²	100.6	59%	0.586	63%	0.626	S	S	*	*	H	α-helix	trans	-71	-34.7	176.1	-84.8	153.6	0	0	0	112.8	L12 V13 L19 A20	L12-L16 PolarHBondContact O-N 3.31Å; V13-L16 PolarHBondContact O-N 3.04Å; L16-L19 PolarHBondContact O-N 3.04Å; L16-A20 PolarHBondContact O-N 2.8Å
17	A	57.3	Low	53.1	Low	60 Å²	60	102 Å²	102	50%	0.496	64%	0.638	S	S	.	*	H	α-helix	trans	-69.2	-34.2	175.1	0	0	0	0	0	112.9	V13 L14 A21	V13-A17 PolarHBondContact O-N 3.43Å; L14-A17 PolarHBondContact O-N 3.45Å; A17-A21 PolarHBondContact O-N 2.78Å
18	L	52.4	Low	52.8	Low	122 Å²	122	101 Å²	101	64%	0.639	65%	0.647	S	S	*	*	H	α-helix	trans	-74.1	-25.6	175.2	-84.1	153.7	0	0	0	113.3	L14	L14-L18 WeakPolarHBondContact O-CD1 3.27Å; L14-L18 PolarHBondContact O-N 2.54Å; L14-L18 VanDerWaalsContact O-N 3.16Å
19	L	52.4	Low	52.6	Low	115 Å²	115	102.8 Å²	102.8	60%	0.602	65%	0.654	S	S	*	*	H	α-helix	trans	-77.5	-38.2	172.2	-79.5	157.7	0	0	0	111.8	A15 L16 A21 R22	A15-L19 WeakPolarHBondContact O-CD1 3.42Å; A15-L19 PolarHBondContact O-N 2.77Å; L16-L19 PolarHBondContact O-N 3.04Å; L19-A21 VanDerWaalsContact C-N 3.31Å; L19-A21 PolarHBondContact O-N 2.81Å; L19-R22 PolarHBondContact O-N 2.78Å
20	A	52	Low	52.3	Low	74 Å²	74	105.4 Å²	105.4	61%	0.612	67%	0.666	S	S	*	*	H	α-helix	trans	-70	-24.5	177	0	0	0	0	0	113.7	L16 R22	L16-A20 PolarHBondContact O-N 2.8Å; A20-R22 VanDerWaalsContact C-N 3.32Å; A20-R22 PolarHBondContact O-N 2.95Å
21	A	50.5	Low	52.2	Low	69 Å²	69	109 Å²	109	57%	0.57	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.9	-9.4	177.3	0	0	0	0	0	114.2	A17 L19	A17-A21 PolarHBondContact O-N 2.78Å; L19-A21 VanDerWaalsContact C-N 3.31Å; L19-A21 PolarHBondContact O-N 2.81Å
22	R	48.9	Very low	52.4	Low	220 Å²	220	110 Å²	110	83%	0.83	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.4	-15.8	177.8	-84.3	-175.3	168.1	-175.9	-2.2	114.4	L19 A20	L19-R22 PolarHBondContact O-N 2.78Å; A20-R22 VanDerWaalsContact C-N 3.32Å; A20-R22 PolarHBondContact O-N 2.95Å
23	D	46.3	Very low	53.9	Low	154 Å²	154	109.3 Å²	109.3	82%	0.824	68%	0.682	S	S	*	*	S	Bend	trans	-96	0	-179.5	-77.3	-30.4	0	0	0	114.1	G25	D23-G25 PolarHBondContact O-N 2.73Å
24	A	40.7	Very low	55.4	Low	89 Å²	89	109.2 Å²	109.2	74%	0.736	67%	0.671	S	S	*	*	S	Bend	trans	-88.6	89.1	175.8	0	0	0	0	0	111.3
25	G	40.5	Very low	57.4	Low	71 Å²	71	105.1 Å²	105.1	73%	0.732	65%	0.65	S	S	*	*			trans	93.6	56.1	152.1	0	0	0	0	0	117.4	D23 A27	D23-G25 PolarHBondContact O-N 2.73Å; G25-A27 PolarHBondContact O-N 3.09Å; G25-A27 VanDerWaalsContact O-N 3.13Å
26	A	41.3	Very low	59.2	Low	105 Å²	105	105 Å²	105	87%	0.868	65%	0.652	S	S	*	*			trans	-73.2	95.9	152	0	0	0	0	0	108.2	A28	A26-A28 PolarHBondContact O-N 3.05Å; A26-A28 VanDerWaalsContact O-N 3.13Å
27	A	48.1	Very low	61.1	Low	92 Å²	92	102.6 Å²	102.6	76%	0.76	66%	0.655	S	S	*	*			trans	-51.7	121.5	168.7	0	0	0	0	0	108.6	G25 V29	G25-A27 PolarHBondContact O-N 3.09Å; G25-A27 VanDerWaalsContact O-N 3.13Å; A27-V29 PolarHBondContact O-N 2.88Å
28	A	45.7	Very low	63.1	Low	98 Å²	98	100 Å²	100	81%	0.81	63%	0.633	S	S	*	*			trans	-58.8	106.5	-177.4	0	0	0	0	0	109.5	A26	A26-A28 PolarHBondContact O-N 3.05Å; A26-A28 VanDerWaalsContact O-N 3.13Å
29	V	51.3	Low	65.3	Low	126 Å²	126	96.4 Å²	96.4	76%	0.764	62%	0.618	S	S	*	*	P	Polyproline II helix	trans	-53.3	122.9	170.5	179.9	0	0	0	0	106.7	A27 K31	A27-V29 PolarHBondContact O-N 2.88Å; V29-K31 PolarHBondContact O-N 2.81Å
30	P	52.1	Low	67.5	Low	113 Å²	113	93.1 Å²	93.1	73%	0.734	60%	0.598	S	S	*	*	P	Polyproline II helix	trans	-54	122.1	-179.5	-20.3	28.8	0	0	0	108.1	P32	P30-P32 VanDerWaalsContact O-N 3.13Å
31	K	53.9	Low	69.7	Low	196 Å²	196	94.1 Å²	94.1	85%	0.852	61%	0.606	S	S	*	*	P	Polyproline II helix	trans	-53.3	126.1	177.8	-77.4	-175.6	178.6	178	0	107.5	V29 N33	V29-K31 PolarHBondContact O-N 2.81Å; K31-N33 PolarHBondContact O-N 3.34Å; K31-N33 VanDerWaalsContact O-N 3.1Å
32	P	68.9	Low	72	Confident	124 Å²	124	91.7 Å²	91.7	81%	0.805	59%	0.586	S	S	*	*	P	Polyproline II helix	trans	-56.7	123.4	-178.1	17.5	-27.9	0	0	0	109.2	P30 W34	P30-P32 VanDerWaalsContact O-N 3.13Å; P32-W34 PolarHBondContact O-N 3.12Å
33	N	91.6	Very high	74.4	Confident	99 Å²	99	82 Å²	82	53%	0.529	55%	0.55	S	S	.	.	P	Polyproline II helix	trans	-57.1	130	177.4	177.1	-27.8	0	0	0	108.6	K31 L35 G36	K31-N33 PolarHBondContact O-N 3.34Å; K31-N33 VanDerWaalsContact O-N 3.1Å; N33-L35 PolarHBondContact O-N 2.89Å; N33-L35 VanDerWaalsContact OD1-CB 3.28Å; N33-L35 WeakPolarHBondContact OD1-CB 3.42Å; N33-L35 WeakPolarHBondContact OD1-CG 3.35Å; N33-L35 PolarHBondContact OD1-N 3.33Å; N33-G36 PolarHBondContact O-N 3.07Å
34	W	97.5	Very high	76.9	Confident	99 Å²	99	77.2 Å²	77.2	38%	0.375	53%	0.527	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-16.2	-178.1	80.1	-33.3	0	0	0	114.4	P32 R439 W497 D500	P32-W34 PolarHBondContact O-N 3.12Å; W34-R439 WeakPolarHBondContact O-CD 3.49Å; W34-R439 PolarHBondContact O-NH1 3.34Å; W34-W497 AromaticContact CD2-CD1 3.91Å; W34-W497 HydrophobicContact CH2-CB 4.11Å; W34-W497 HydrophobicContact CZ2-CB 4.37Å; W34-W497 HydrophobicContact CZ3-CB 4.33Å; W34-W497 PolarHBondContact O-NE1 3.16Å; W34-D500 HydrophobicContact CZ2-CB 4.13Å; W34-D500 VanDerWaalsContact CZ2-OD2 3.3Å; W34-D500 WeakPolarHBondContact CZ2-OD2 3.49Å
35	L	98.4	Very high	79.6	Confident	20 Å²	20	82.8 Å²	82.8	11%	0.105	54%	0.535	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-21	172.1	-57.9	-175.4	0	0	0	112.9	N33 G37 L38 W497 D500 M501	N33-L35 PolarHBondContact O-N 2.89Å; N33-L35 VanDerWaalsContact OD1-CB 3.28Å; N33-L35 WeakPolarHBondContact OD1-CB 3.42Å; N33-L35 WeakPolarHBondContact OD1-CG 3.35Å; N33-L35 PolarHBondContact OD1-N 3.33Å; L35-G37 VanDerWaalsContact C-N 3.31Å; L35-G37 PolarHBondContact O-N 2.97Å; L35-L38 WeakPolarHBondContact O-CB 3.44Å; L35-L38 PolarHBondContact O-N 3.43Å; L35-W497 HydrophobicContact CD2-CG 4.4Å; L35-D500 HydrophobicContact CD2-CB 4.27Å; L35-M501 HydrophobicContact CD2-CB 4.02Å
36	G	97.2	Very high	82.4	Confident	46 Å²	46	90.5 Å²	90.5	47%	0.474	54%	0.542	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.6	32.1	-178.5	0	0	0	0	0	114.3	N33 L38	N33-G36 PolarHBondContact O-N 3.07Å; G36-L38 PolarHBondContact O-N 3.42Å
37	G	96.8	Very high	85.1	Confident	63 Å²	63	86 Å²	86	65%	0.649	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.9	-1	-177	0	0	0	0	0	114.7	L35	L35-G37 VanDerWaalsContact C-N 3.31Å; L35-G37 PolarHBondContact O-N 2.97Å
38	L	98.7	Very high	87.5	Confident	6 Å²	6	82.9 Å²	82.9	3%	0.031	47%	0.474	C	S	.	.			trans	-75.3	138.3	174.8	-60.4	176.4	0	0	0	111.2	L35 G36 F43 R439 L442 K446 W497 M501	L35-L38 WeakPolarHBondContact O-CB 3.44Å; L35-L38 PolarHBondContact O-N 3.43Å; G36-L38 PolarHBondContact O-N 3.42Å; L38-F43 HydrophobicContact CD2-CE2 4.2Å; L38-F43 HydrophobicContact CD2-CZ 4.4Å; L38-R439 HydrophobicContact CD1-CG 4.37Å; L38-L442 HydrophobicContact CD1-CB 3.73Å; L38-K446 HydrophobicContact CD2-CD 4.25Å; L38-W497 HydrophobicContact CD1-CH2 3.89Å; L38-W497 HydrophobicContact CD1-CZ2 4.01Å; L38-M501 HydrophobicContact CB-CG 3.92Å; L38-M501 HydrophobicContact CB-SD 4.45Å
39	S	98.7	Very high	90.1	Very high	46 Å²	46	78.3 Å²	78.3	32%	0.322	44%	0.436	S	S	.	.	S	Bend	trans	-163.3	172.9	171.2	63.1	0	0	0	0	108.2	A41 A42 F43 M501	S39-A41 PolarHBondContact O-N 3.32Å; S39-A41 PolarHBondContact OG-N 2.72Å; S39-A42 VanDerWaalsContact O-CB 3.29Å; S39-A42 WeakPolarHBondContact O-CB 3.3Å; S39-A42 PolarHBondContact O-N 3.25Å; S39-F43 WeakPolarHBondContact O-CD2 3.3Å; S39-M501 WeakPolarHBondContact CA-O 3.28Å
40	R	98.7	Very high	92.3	Very high	45 Å²	45	72.3 Å²	72.3	17%	0.17	40%	0.4	C	S	.	.	G	3₁₀ helix	trans	-52.5	-36.7	170.7	-70.3	-174.9	173.2	-83.2	0.8	113.3	A42 F43 N109 D111 M501 L502 H504	R40-A42 PolarHBondContact O-N 2.9Å; R40-F43 PolarHBondContact O-N 3.37Å; R40-F43 VanDerWaalsContact O-N 3.12Å; R40-N109 PolarHBondContact NH2-O 2.94Å; R40-D111 IonicContact CZ-OD1 2.76Å; R40-D111 IonicContact CZ-OD2 2.75Å; R40-D111 IonicContact NH1-OD1 3.87Å; R40-D111 PolarHBondContact NH1-OD1 2.86Å; R40-D111 IonicContact NH1-OD2 2.93Å; R40-D111 PolarHBondContact NH1-OD2 3.08Å; R40-D111 IonicContact NH2-OD1 3.49Å; R40-D111 PolarHBondContact NH2-OD1 3.38Å; R40-D111 IonicContact NH2-OD2 3.77Å; R40-D111 PolarHBondContact NH2-OD2 2.89Å; R40-M501 PolarHBondContact N-O 2.92Å; R40-L502 HydrophobicContact CG-CD2 4.31Å; R40-L502 PolarHBondContact NE-O 2.85Å; R40-H504 PolarHBondContact NE-CE1 3.33Å; R40-H504 PolarHBondContact NH2-CE1 3.43Å
41	A	98.4	Very high	94.6	Very high	95 Å²	95	66.9 Å²	66.9	79%	0.785	37%	0.365	S	S	*	.	G	3₁₀ helix	trans	-67.2	-16.5	178.9	0	0	0	0	0	113.7	S39 F43	S39-A41 PolarHBondContact O-N 3.32Å; S39-A41 PolarHBondContact OG-N 2.72Å; A41-F43 VanDerWaalsContact C-N 3.28Å
42	A	98.5	Very high	96.7	Very high	18 Å²	18	57.6 Å²	57.6	15%	0.149	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-81.7	-7.6	175.8	0	0	0	0	0	112.9	S39 R40 K446	S39-A42 VanDerWaalsContact O-CB 3.29Å; S39-A42 WeakPolarHBondContact O-CB 3.3Å; S39-A42 PolarHBondContact O-N 3.25Å; R40-A42 PolarHBondContact O-N 2.9Å; A42-K446 HydrophobicContact CB-CD 3.9Å; A42-K446 WeakPolarHBondContact O-CD 3.35Å; A42-K446 WeakPolarHBondContact O-CE 3.26Å; A42-K446 PolarHBondContact O-NZ 3.39Å
43	F	98.8	Very high	98.1	Very high	16 Å²	16	51.7 Å²	51.7	7%	0.07	29%	0.286	C	S	.	.	S	Bend	trans	-116.2	164.5	-179.6	-70.5	-92.6	0	0	0	110.9	L38 S39 R40 A41 F47 F49 L442 K446 I449	L38-F43 HydrophobicContact CD2-CE2 4.2Å; L38-F43 HydrophobicContact CD2-CZ 4.4Å; S39-F43 WeakPolarHBondContact O-CD2 3.3Å; R40-F43 PolarHBondContact O-N 3.37Å; R40-F43 VanDerWaalsContact O-N 3.12Å; A41-F43 VanDerWaalsContact C-N 3.28Å; F43-F47 HydrophobicContact CB-CB 3.97Å; F43-F47 HydrophobicContact CB-CD1 4.27Å; F43-F47 HydrophobicContact CB-CG 4.02Å; F43-F47 HydrophobicContact CD1-CD1 4.17Å; F43-F47 HydrophobicContact CD1-CD2 4.4Å; F43-F47 HydrophobicContact CD1-CE1 4.06Å; F43-F47 HydrophobicContact CD1-CE2 4.3Å; F43-F47 HydrophobicContact CD1-CG 4.33Å; F43-F47 HydrophobicContact CD1-CZ 4.13Å; F43-F47 HydrophobicContact CE1-CE1 4.49Å; F43-F47 HydrophobicContact CE1-CZ 4.5Å; F43-F47 HydrophobicContact CG-CD1 4.37Å; F43-F47 HydrophobicContact CG-CG 4.5Å; F43-F49 HydrophobicContact CB-CE2 4.4Å; F43-F49 HydrophobicContact CB-CZ 4.42Å; F43-F49 HydrophobicContact CD1-CZ 4.02Å; F43-F49 HydrophobicContact CD2-CE2 4.14Å; F43-F49 AromaticContact CD2-CZ 3.59Å; F43-F49 HydrophobicContact CD2-CZ 3.59Å; F43-F49 HydrophobicContact CE1-CZ 4.16Å; F43-F49 HydrophobicContact CE2-CE1 4.5Å; F43-F49 AromaticContact CE2-CZ 3.74Å; F43-F49 HydrophobicContact CE2-CZ 3.74Å; F43-F49 HydrophobicContact CG-CE2 4.19Å; F43-F49 AromaticContact CG-CZ 3.74Å; F43-F49 HydrophobicContact CG-CZ 3.74Å; F43-F49 HydrophobicContact CZ-CE1 4.5Å; F43-F49 HydrophobicContact CZ-CZ 4.03Å; F43-L442 HydrophobicContact CZ-CB 4.35Å; F43-L442 HydrophobicContact CZ-CD2 4.16Å; F43-K446 HydrophobicContact CE1-CB 4.19Å; F43-K446 HydrophobicContact CZ-CB 4.2Å; F43-I449 HydrophobicContact CD1-CD1 4Å; F43-I449 HydrophobicContact CE1-CD1 4.22Å
44	P	98.7	Very high	98.5	Very high	55 Å²	55	47 Å²	47	36%	0.357	26%	0.261	S	S	.	.			trans	-52.3	148.6	176.1	-28.2	35.6	0	0	0	112.4	R46 F47 I449	P44-R46 PolarHBondContact O-N 3.09Å; P44-F47 HydrophobicContact CB-CB 4.44Å; P44-F47 HydrophobicContact CG-CD2 4.28Å; P44-F47 WeakPolarHBondContact O-CB 3.25Å; P44-F47 PolarHBondContact O-N 2.8Å; P44-I449 HydrophobicContact CG-CG2 3.55Å
45	K	98.4	Very high	98.5	Very high	206 Å²	206	42.4 Å²	42.4	90%	0.896	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.3	134.9	171.4	-67.6	-177.6	-180	178.9	0	108.9	F47	K45-F47 PolarHBondContact O-N 3.48Å
46	R	98.2	Very high	98.6	Very high	233 Å²	233	41.8 Å²	41.8	88%	0.879	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.5	12.6	-177.9	-48.3	-62.1	-61.4	149.2	4.3	115.2	P44 V48	P44-R46 PolarHBondContact O-N 3.09Å; R46-V48 PolarHBondContact O-N 3.48Å
47	F	98.8	Very high	98.6	Very high	10 Å²	10	39.6 Å²	39.6	4%	0.044	22%	0.218	C	C	.	.			trans	-57.9	128.5	170.9	-169.5	-85.4	0	0	0	110.3	F43 P44 K45 F49 L445 I449 V455 G457	F43-F47 HydrophobicContact CB-CB 3.97Å; F43-F47 HydrophobicContact CB-CD1 4.27Å; F43-F47 HydrophobicContact CB-CG 4.02Å; F43-F47 HydrophobicContact CD1-CD1 4.17Å; F43-F47 HydrophobicContact CD1-CD2 4.4Å; F43-F47 HydrophobicContact CD1-CE1 4.06Å; F43-F47 HydrophobicContact CD1-CE2 4.3Å; F43-F47 HydrophobicContact CD1-CG 4.33Å; F43-F47 HydrophobicContact CD1-CZ 4.13Å; F43-F47 HydrophobicContact CE1-CE1 4.49Å; F43-F47 HydrophobicContact CE1-CZ 4.5Å; F43-F47 HydrophobicContact CG-CD1 4.37Å; F43-F47 HydrophobicContact CG-CG 4.5Å; P44-F47 HydrophobicContact CB-CB 4.44Å; P44-F47 HydrophobicContact CG-CD2 4.28Å; P44-F47 WeakPolarHBondContact O-CB 3.25Å; P44-F47 PolarHBondContact O-N 2.8Å; K45-F47 PolarHBondContact O-N 3.48Å; F47-F49 AromaticContact CD1-CD2 3.86Å; F47-F49 HydrophobicContact CD1-CD2 3.86Å; F47-F49 HydrophobicContact CD1-CE1 4.1Å; F47-F49 AromaticContact CD1-CE2 3.41Å; F47-F49 HydrophobicContact CD1-CE2 3.41Å; F47-F49 VanDerWaalsContact CD1-CE2 3.41Å; F47-F49 HydrophobicContact CD1-CG 4.4Å; F47-F49 AromaticContact CD1-CZ 3.53Å; F47-F49 HydrophobicContact CD1-CZ 3.53Å; F47-F49 HydrophobicContact CE1-CD1 4.25Å; F47-F49 HydrophobicContact CE1-CD2 4.41Å; F47-F49 AromaticContact CE1-CE1 3.76Å; F47-F49 HydrophobicContact CE1-CE1 3.76Å; F47-F49 AromaticContact CE1-CE2 3.96Å; F47-F49 HydrophobicContact CE1-CE2 3.96Å; F47-F49 AromaticContact CE1-CZ 3.6Å; F47-F49 HydrophobicContact CE1-CZ 3.6Å; F47-F49 HydrophobicContact CG-CE2 4.42Å; F47-L445 HydrophobicContact CZ-CD2 4.27Å; F47-I449 HydrophobicContact CD2-CD1 4.38Å; F47-I449 HydrophobicContact CE2-CD1 3.61Å; F47-I449 HydrophobicContact CZ-CD1 4.13Å; F47-V455 WeakPolarHBondContact CD2-O 3.49Å; F47-V455 HydrophobicContact CE2-CB 4.21Å; F47-V455 HydrophobicContact CE2-CG1 3.9Å; F47-V455 VanDerWaalsContact CE2-O 3.31Å; F47-V455 WeakPolarHBondContact CE2-O 3.21Å; F47-V455 HydrophobicContact CZ-CG1 4.16Å; F47-G457 VanDerWaalsContact CZ-C 3.47Å
48	V	98.9	Very high	98.7	Very high	27 Å²	27	36.6 Å²	36.6	16%	0.164	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	126.6	-173.4	177.2	0	0	0	0	110.2	R46 D111 A112 Y153 A456 G457 Y458 F459	R46-V48 PolarHBondContact O-N 3.48Å; V48-D111 HydrophobicContact CG1-CB 4.37Å; V48-A112 HydrophobicContact CG1-CB 3.46Å; V48-A112 VanDerWaalsContact CG1-CB 3.46Å; V48-Y153 HydrophobicContact CG1-CE2 4.33Å; V48-A456 PolarHBondContact N-O 3.46Å; V48-A456 VanDerWaalsContact N-O 3.14Å; V48-G457 CarbonylContact O-C 2.98Å; V48-G457 WeakPolarHBondContact O-CA 3.4Å; V48-Y458 PolarHBondContact O-N 3.37Å; V48-F459 HydrophobicContact CG1-CE2 4.4Å; V48-F459 HydrophobicContact CG1-CZ 4.09Å
49	F	99	Very high	98.8	Very high	1 Å²	1	36.4 Å²	36.4	0%	0.004	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	131.7	167.8	-72.2	-83.4	0	0	0	110.9	F43 F47 F110 D111 A112 L442 Y458 M501 L502	F43-F49 HydrophobicContact CB-CE2 4.4Å; F43-F49 HydrophobicContact CB-CZ 4.42Å; F43-F49 HydrophobicContact CD1-CZ 4.02Å; F43-F49 HydrophobicContact CD2-CE2 4.14Å; F43-F49 AromaticContact CD2-CZ 3.59Å; F43-F49 HydrophobicContact CD2-CZ 3.59Å; F43-F49 HydrophobicContact CE1-CZ 4.16Å; F43-F49 HydrophobicContact CE2-CE1 4.5Å; F43-F49 AromaticContact CE2-CZ 3.74Å; F43-F49 HydrophobicContact CE2-CZ 3.74Å; F43-F49 HydrophobicContact CG-CE2 4.19Å; F43-F49 AromaticContact CG-CZ 3.74Å; F43-F49 HydrophobicContact CG-CZ 3.74Å; F43-F49 HydrophobicContact CZ-CE1 4.5Å; F43-F49 HydrophobicContact CZ-CZ 4.03Å; F47-F49 AromaticContact CD1-CD2 3.86Å; F47-F49 HydrophobicContact CD1-CD2 3.86Å; F47-F49 HydrophobicContact CD1-CE1 4.1Å; F47-F49 AromaticContact CD1-CE2 3.41Å; F47-F49 HydrophobicContact CD1-CE2 3.41Å; F47-F49 VanDerWaalsContact CD1-CE2 3.41Å; F47-F49 HydrophobicContact CD1-CG 4.4Å; F47-F49 AromaticContact CD1-CZ 3.53Å; F47-F49 HydrophobicContact CD1-CZ 3.53Å; F47-F49 HydrophobicContact CE1-CD1 4.25Å; F47-F49 HydrophobicContact CE1-CD2 4.41Å; F47-F49 AromaticContact CE1-CE1 3.76Å; F47-F49 HydrophobicContact CE1-CE1 3.76Å; F47-F49 AromaticContact CE1-CE2 3.96Å; F47-F49 HydrophobicContact CE1-CE2 3.96Å; F47-F49 AromaticContact CE1-CZ 3.6Å; F47-F49 HydrophobicContact CE1-CZ 3.6Å; F47-F49 HydrophobicContact CG-CE2 4.42Å; F49-F110 HydrophobicContact CB-CD1 4.36Å; F49-D111 PolarHBondContact N-OD2 3.22Å; F49-D111 WeakPolarHBondContact O-CB 3.33Å; F49-D111 PolarHBondContact O-N 2.85Å; F49-A112 PolarHBondContact O-N 3.39Å; F49-L442 HydrophobicContact CE1-CD2 4.14Å; F49-Y458 CarbonylContact C-O 3.27Å; F49-Y458 WeakPolarHBondContact CA-O 3.48Å; F49-Y458 HydrophobicContact CD1-CD1 4.09Å; F49-Y458 HydrophobicContact CE1-CD1 4.39Å; F49-M501 HydrophobicContact CD1-CE 4.35Å; F49-M501 HydrophobicContact CE1-CE 3.95Å; F49-M501 HydrophobicContact CZ-CE 4.25Å; F49-L502 HydrophobicContact CB-CD1 3.77Å; F49-L502 HydrophobicContact CB-CD2 3.76Å; F49-L502 HydrophobicContact CB-CG 4.44Å; F49-L502 HydrophobicContact CD1-CD2 3.82Å; F49-L502 HydrophobicContact CD2-CD2 3.38Å; F49-L502 HydrophobicContact CE1-CD2 4.25Å; F49-L502 HydrophobicContact CE2-CD2 3.83Å; F49-L502 HydrophobicContact CG-CD1 4.22Å; F49-L502 HydrophobicContact CG-CD2 3.36Å; F49-L502 HydrophobicContact CG-CG 4.45Å; F49-L502 HydrophobicContact CZ-CD2 4.25Å
50	G	98.9	Very high	98.8	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	-179.7	177.2	0	0	0	0	0	114.2	F110 A112 Y458 F459 A460	G50-F110 WeakPolarHBondContact O-CE1 3.06Å; G50-A112 WeakPolarHBondContact CA-O 3.42Å; G50-Y458 PolarHBondContact N-O 2.67Å; G50-F459 VanDerWaalsContact O-CA 3.28Å; G50-F459 WeakPolarHBondContact O-CA 3.13Å; G50-A460 PolarHBondContact O-N 2.98Å
51	T	99	Very high	98.8	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	159.7	166.6	57.7	0	0	0	0	109.4	F110 A112 Y113 R114 A460 L463 I479	T51-F110 HydrophobicContact CG2-CD1 4.08Å; T51-F110 HydrophobicContact CG2-CD2 3.8Å; T51-F110 HydrophobicContact CG2-CE1 3.75Å; T51-F110 HydrophobicContact CG2-CE2 3.46Å; T51-F110 VanDerWaalsContact CG2-CE2 3.46Å; T51-F110 HydrophobicContact CG2-CG 4.11Å; T51-F110 HydrophobicContact CG2-CZ 3.43Å; T51-F110 VanDerWaalsContact CG2-CZ 3.43Å; T51-A112 PolarHBondContact N-O 2.93Å; T51-Y113 WeakPolarHBondContact O-CD2 3.26Å; T51-R114 PolarHBondContact O-N 3.45Å; T51-A460 WeakPolarHBondContact CA-O 3.42Å; T51-L463 HydrophobicContact CG2-CB 4.42Å; T51-L463 HydrophobicContact CG2-CD1 4.1Å; T51-I479 HydrophobicContact CG2-CD1 3.79Å
52	A	98.9	Very high	98.8	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	149	-179.3	0	0	0	0	0	112.6	R114 E414 F459 A460 W461 S462 L463	A52-R114 CarbonylContact C-O 3.47Å; A52-R114 VanDerWaalsContact CA-O 3.24Å; A52-R114 WeakPolarHBondContact CA-O 3.24Å; A52-R114 HydrophobicContact CB-CB 4Å; A52-R114 HydrophobicContact CB-CG 4.38Å; A52-E414 HydrophobicContact CB-CG 4.47Å; A52-F459 HydrophobicContact CB-CB 4.35Å; A52-A460 PolarHBondContact N-O 3.08Å; A52-W461 HydrophobicContact CB-CE3 3.72Å; A52-W461 HydrophobicContact CB-CZ3 4.16Å; A52-S462 WeakPolarHBondContact O-CA 3.4Å; A52-S462 WeakPolarHBondContact O-CB 3.38Å; A52-L463 PolarHBondContact O-N 2.87Å
53	T	98.9	Very high	98.8	Very high	1 Å²	1	33 Å²	33	1%	0.006	16%	0.164	C	C	.	.			trans	-146.1	173.6	165.1	66.5	0	0	0	0	110	V58 Y113 R114 L463	T53-V58 HydrophobicContact CG2-CG1 3.76Å; T53-V58 HydrophobicContact CG2-CG2 4.23Å; T53-Y113 HydrophobicContact CG2-CE2 4.02Å; T53-Y113 WeakPolarHBondContact CG2-OH 3.44Å; T53-Y113 PolarHBondContact OG1-OH 3.43Å; T53-R114 PolarHBondContact N-O 3.43Å; T53-L463 HydrophobicContact CG2-CB 4Å
54	S	98.7	Very high	98.8	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.179	C	C	.	.			trans	-128.6	154.3	168	84.4	0	0	0	0	111.6	Y56 Q57 V58 H158	S54-Y56 PolarHBondContact O-N 2.86Å; S54-Q57 PolarHBondContact O-N 2.93Å; S54-Q57 VanDerWaalsContact O-N 3.12Å; S54-Q57 VanDerWaalsContact OG-CD 3.25Å; S54-Q57 WeakPolarHBondContact OG-CG 3.49Å; S54-Q57 PolarHBondContact OG-OE1 3.36Å; S54-V58 WeakPolarHBondContact O-CG2 3.36Å; S54-V58 PolarHBondContact O-N 2.88Å; S54-H158 WeakPolarHBondContact CB-ND1 3.44Å
55	A	98.8	Very high	98.7	Very high	2 Å²	2	32.8 Å²	32.8	2%	0.017	17%	0.167	C	C	.	.	H	α-helix	trans	-53.5	-60.3	-168.9	0	0	0	0	0	113.1	Q57 V58 E59 S116	A55-Q57 PolarHBondContact O-N 3.35Å; A55-Q57 VanDerWaalsContact O-N 3.14Å; A55-V58 PolarHBondContact O-N 3.05Å; A55-E59 HydrophobicContact CB-CG 4.25Å; A55-E59 WeakPolarHBondContact CB-OE1 3.3Å; A55-E59 VanDerWaalsContact O-CB 3.24Å; A55-E59 WeakPolarHBondContact O-CB 3.48Å; A55-E59 VanDerWaalsContact O-CG 3.31Å; A55-E59 WeakPolarHBondContact O-CG 3.5Å; A55-E59 PolarHBondContact O-N 3.19Å; A55-S116 WeakPolarHBondContact CB-OG 3.25Å; A55-S116 PolarHBondContact N-OG 2.88Å
56	Y	98.9	Very high	98.7	Very high	7 Å²	7	24.8 Å²	24.8	3%	0.027	14%	0.143	C	C	.	.	H	α-helix	trans	-62.7	-24.6	-177.7	-168.7	-107.5	0	0	0	113	S54 A62 W72 D73 G88 F467 W469	S54-Y56 PolarHBondContact O-N 2.86Å; Y56-A62 HydrophobicContact CE2-CB 4.42Å; Y56-W72 HydrophobicContact CD1-CB 3.88Å; Y56-W72 HydrophobicContact CD1-CG 4.38Å; Y56-W72 HydrophobicContact CE1-CB 3.73Å; Y56-W72 HydrophobicContact CE1-CE3 4.41Å; Y56-W72 HydrophobicContact CE1-CG 4.43Å; Y56-W72 HydrophobicContact CG-CB 4.34Å; Y56-W72 PolarHBondContact OH-O 2.79Å; Y56-D73 HydrophobicContact CE2-CB 4.5Å; Y56-D73 WeakPolarHBondContact CE2-OD1 3.45Å; Y56-D73 WeakPolarHBondContact OH-CA 3.25Å; Y56-G88 PolarHBondContact OH-N 3.05Å; Y56-F467 HydrophobicContact CD1-CD1 4.06Å; Y56-F467 HydrophobicContact CD1-CE1 4.05Å; Y56-F467 AromaticContact CE1-CD1 3.99Å; Y56-F467 HydrophobicContact CE1-CD1 3.99Å; Y56-F467 AromaticContact CE1-CE1 3.64Å; Y56-F467 HydrophobicContact CE1-CE1 3.64Å; Y56-F467 HydrophobicContact CE1-CZ 4.31Å; Y56-W469 HydrophobicContact CD1-CZ3 4.07Å
57	Q	98.9	Very high	98.7	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-80.4	-26	-178	-61.8	-174.7	-92.3	0	0	113.7	S54 A55 A91 N466 F467 E468 W469	S54-Q57 PolarHBondContact O-N 2.93Å; S54-Q57 VanDerWaalsContact O-N 3.12Å; S54-Q57 VanDerWaalsContact OG-CD 3.25Å; S54-Q57 WeakPolarHBondContact OG-CG 3.49Å; S54-Q57 PolarHBondContact OG-OE1 3.36Å; A55-Q57 PolarHBondContact O-N 3.35Å; A55-Q57 VanDerWaalsContact O-N 3.14Å; Q57-A91 WeakPolarHBondContact O-CB 3.41Å; Q57-N466 HydrophobicContact CB-CB 4.27Å; Q57-N466 PolarHBondContact NE2-OD1 2.91Å; Q57-N466 WeakPolarHBondContact O-CB 3.28Å; Q57-F467 WeakPolarHBondContact CG-O 3.45Å; Q57-F467 PolarHBondContact NE2-O 2.82Å; Q57-F467 PolarHBondContact O-N 3.14Å; Q57-F467 VanDerWaalsContact O-N 3.16Å; Q57-E468 PolarHBondContact NE2-OE2 3.22Å; Q57-W469 HydrophobicContact CG-CD2 4.44Å; Q57-W469 HydrophobicContact CG-CE3 4.49Å; Q57-W469 HydrophobicContact CG-CH2 3.67Å; Q57-W469 HydrophobicContact CG-CZ2 3.56Å; Q57-W469 HydrophobicContact CG-CZ3 4.15Å
58	V	98.9	Very high	98.7	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-126.9	-28.8	-174.4	-58.7	0	0	0	0	115.7	T53 S54 A55 T92 D93 Q94 N466	T53-V58 HydrophobicContact CG2-CG1 3.76Å; T53-V58 HydrophobicContact CG2-CG2 4.23Å; S54-V58 WeakPolarHBondContact O-CG2 3.36Å; S54-V58 PolarHBondContact O-N 2.88Å; A55-V58 PolarHBondContact O-N 3.05Å; V58-T92 HydrophobicContact CB-CG2 4.31Å; V58-T92 WeakPolarHBondContact CB-OG1 3.3Å; V58-T92 HydrophobicContact CG1-CG2 4.21Å; V58-T92 PolarHBondContact O-N 2.88Å; V58-T92 PolarHBondContact O-OG1 3.45Å; V58-D93 PolarHBondContact O-N 3.23Å; V58-Q94 HydrophobicContact CB-CB 4.24Å; V58-Q94 HydrophobicContact CG2-CB 4.19Å; V58-Q94 VanDerWaalsContact CG2-OE1 3.31Å; V58-Q94 VanDerWaalsContact O-CB 3.3Å; V58-Q94 WeakPolarHBondContact O-CB 3.49Å; V58-Q94 PolarHBondContact O-N 2.83Å; V58-N466 HydrophobicContact CG1-CB 3.71Å
59	E	98.9	Very high	98.7	Very high	3 Å²	3	16.1 Å²	16.1	1%	0.014	12%	0.118	C	C	.	.			trans	-63.3	-50.2	-170.4	-73.5	-179	177.9	0	0	112.4	A55 D93 Q94 Y95 R121 Y137 Y138	A55-E59 HydrophobicContact CB-CG 4.25Å; A55-E59 WeakPolarHBondContact CB-OE1 3.3Å; A55-E59 VanDerWaalsContact O-CB 3.24Å; A55-E59 WeakPolarHBondContact O-CB 3.48Å; A55-E59 VanDerWaalsContact O-CG 3.31Å; A55-E59 WeakPolarHBondContact O-CG 3.5Å; A55-E59 PolarHBondContact O-N 3.19Å; E59-D93 CarbonylContact O-C 3.54Å; E59-D93 WeakPolarHBondContact O-CA 3.26Å; E59-Q94 PolarHBondContact O-N 3.42Å; E59-Y95 VanDerWaalsContact O-CB 3.24Å; E59-Y95 WeakPolarHBondContact O-CB 3.47Å; E59-Y95 PolarHBondContact O-N 3.47Å; E59-R121 IonicContact OE2-CZ 3.86Å; E59-R121 IonicContact OE2-NE 3.72Å; E59-R121 PolarHBondContact OE2-NE 3.41Å; E59-R121 IonicContact OE2-NH2 3.62Å; E59-R121 PolarHBondContact OE2-NH2 3.49Å; E59-Y137 HydrophobicContact CG-CE1 4.24Å; E59-Y137 WeakPolarHBondContact OE1-CE1 3.23Å; E59-Y138 VanDerWaalsContact OE1-CE1 3.25Å; E59-Y138 WeakPolarHBondContact OE1-CE1 3.45Å; E59-Y138 PolarHBondContact OE1-OH 2.96Å; E59-Y138 PolarHBondContact OE2-OH 3.29Å
60	G	98.7	Very high	98.7	Very high	2 Å²	2	16.1 Å²	16.1	2%	0.021	12%	0.118	C	C	.	.			trans	70.4	-157.4	-161.8	0	0	0	0	0	111.4	A62 D89 V90 R121	G60-A62 PolarHBondContact O-N 3.38Å; G60-A62 VanDerWaalsContact O-N 3.14Å; G60-D89 CarbonylContact C-O 3.44Å; G60-D89 VanDerWaalsContact CA-O 3.29Å; G60-D89 WeakPolarHBondContact CA-O 3.35Å; G60-V90 VanDerWaalsContact CA-C 3.48Å; G60-V90 WeakPolarHBondContact CA-O 3.29Å; G60-R121 PolarHBondContact O-NH2 2.99Å
61	M	98.7	Very high	98.7	Very high	40 Å²	40	16.6 Å²	16.6	20%	0.197	12%	0.121	C	C	.	.			trans	49.7	41.5	-177	-75	-75	-77.7	0	0	111.2	A63 S64 D89 Y95 H96 R121	M61-A63 VanDerWaalsContact C-N 3.34Å; M61-A63 PolarHBondContact O-N 2.65Å; M61-S64 PolarHBondContact O-N 3.12Å; M61-S64 WeakPolarHBondContact SD-CB 3.49Å; M61-D89 PolarHBondContact N-O 2.94Å; M61-Y95 HydrophobicContact CB-CD1 4.09Å; M61-Y95 HydrophobicContact CB-CD2 4.24Å; M61-Y95 HydrophobicContact CB-CG 3.88Å; M61-Y95 HydrophobicContact CE-CD1 4.24Å; M61-Y95 HydrophobicContact CE-CE1 3.97Å; M61-Y95 HydrophobicContact CG-CD1 3.62Å; M61-Y95 HydrophobicContact CG-CE1 4.27Å; M61-Y95 HydrophobicContact CG-CG 3.84Å; M61-H96 VanDerWaalsContact CG-CE1 3.41Å; M61-H96 WeakPolarHBondContact CG-CE1 3.1Å; M61-H96 PolarHBondContact SD-CE1 2.96Å; M61-R121 PolarHBondContact O-NH1 3.34Å; M61-R121 PolarHBondContact O-NH2 3.48Å
62	A	98.7	Very high	98.7	Very high	3 Å²	3	16.8 Å²	16.8	3%	0.025	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-34.3	-167.2	0	0	0	0	0	112.4	Y56 G60 R67 D73 D89	Y56-A62 HydrophobicContact CE2-CB 4.42Å; G60-A62 PolarHBondContact O-N 3.38Å; G60-A62 VanDerWaalsContact O-N 3.14Å; A62-R67 WeakPolarHBondContact O-CD 3.21Å; A62-R67 WeakPolarHBondContact O-CG 3.4Å; A62-R67 PolarHBondContact O-NH1 2.91Å; A62-D73 WeakPolarHBondContact CB-OD1 3.49Å; A62-D89 PolarHBondContact N-O 3.25Å
63	A	98.5	Very high	98.7	Very high	87 Å²	87	17.2 Å²	17.2	72%	0.719	12%	0.124	S	C	*	.	T	Hydrogen-bonded Turn	trans	-113.6	30.9	174.6	0	0	0	0	0	112.2	M61	M61-A63 VanDerWaalsContact C-N 3.34Å; M61-A63 PolarHBondContact O-N 2.65Å
64	S	98.5	Very high	98.7	Very high	57 Å²	57	19.1 Å²	19.1	40%	0.399	14%	0.14	S	C	.	.			trans	-140.5	170.7	-175.9	-62.8	0	0	0	0	111.2	M61 G66 R67	M61-S64 PolarHBondContact O-N 3.12Å; M61-S64 WeakPolarHBondContact SD-CB 3.49Å; S64-G66 PolarHBondContact O-N 2.69Å; S64-R67 WeakPolarHBondContact O-CB 3.46Å; S64-R67 PolarHBondContact O-N 3.06Å
65	G	97.6	Very high	98.7	Very high	10 Å²	10	19.7 Å²	19.7	10%	0.103	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	58	32.8	-174.2	0	0	0	0	0	113.2	R67 N131 E133	G65-R67 VanDerWaalsContact C-N 3.28Å; G65-R67 PolarHBondContact O-N 3.37Å; G65-N131 PolarHBondContact O-ND2 3.44Å; G65-E133 WeakPolarHBondContact CA-OE1 3.46Å; G65-E133 WeakPolarHBondContact CA-OE2 3.31Å
66	G	98.2	Very high	98.7	Very high	38 Å²	38	19.7 Å²	19.7	39%	0.392	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.7	6.2	-178.6	0	0	0	0	0	116.4	S64 P124 N131	S64-G66 PolarHBondContact O-N 2.69Å; G66-P124 WeakPolarHBondContact O-CG 3.29Å; G66-N131 PolarHBondContact O-ND2 3.18Å
67	R	98.9	Very high	98.7	Very high	15 Å²	15	24.2 Å²	24.2	6%	0.057	16%	0.163	C	C	.	.	P	Polyproline II helix	trans	-66.2	132.1	177.9	177.9	167.7	-179.5	-81.3	4.1	111.6	A62 S64 G65 D73 S118 S120 R121	A62-R67 WeakPolarHBondContact O-CD 3.21Å; A62-R67 WeakPolarHBondContact O-CG 3.4Å; A62-R67 PolarHBondContact O-NH1 2.91Å; S64-R67 WeakPolarHBondContact O-CB 3.46Å; S64-R67 PolarHBondContact O-N 3.06Å; G65-R67 VanDerWaalsContact C-N 3.28Å; G65-R67 PolarHBondContact O-N 3.37Å; R67-D73 IonicContact CZ-OD1 3.87Å; R67-D73 IonicContact CZ-OD2 2.69Å; R67-D73 VanDerWaalsContact NH1-CG 3.31Å; R67-D73 IonicContact NH1-OD1 3.72Å; R67-D73 PolarHBondContact NH1-OD1 2.75Å; R67-D73 IonicContact NH1-OD2 3.45Å; R67-D73 PolarHBondContact NH1-OD2 3.27Å; R67-D73 VanDerWaalsContact NH1-OD2 3.11Å; R67-D73 IonicContact NH2-OD1 2.63Å; R67-D73 IonicContact NH2-OD2 2.79Å; R67-D73 PolarHBondContact NH2-OD2 2.91Å; R67-S118 PolarHBondContact NE-OG 2.87Å; R67-S120 PolarHBondContact NE-OG 2.76Å; R67-S120 PolarHBondContact NH2-OG 3.48Å; R67-R121 HydrophobicContact CB-CB 4.2Å; R67-R121 HydrophobicContact CB-CG 4.07Å; R67-R121 HydrophobicContact CG-CB 3.98Å; R67-R121 HydrophobicContact CG-CG 4.38Å
68	G	98.8	Very high	98.7	Very high	7 Å²	7	27.5 Å²	27.5	7%	0.072	18%	0.183	C	C	.	.	P	Polyproline II helix	trans	-82.8	159.7	167.5	0	0	0	0	0	112.2	S120	G68-S120 PolarHBondContact N-O 3.12Å; G68-S120 WeakPolarHBondContact O-CB 3.49Å; G68-S120 PolarHBondContact O-OG 2.92Å
69	P	98.9	Very high	98.7	Very high	66 Å²	66	32.4 Å²	32.4	43%	0.429	22%	0.215	S	C	.	.	P	Polyproline II helix	trans	-69.2	143.3	179.9	28.8	-34.1	0	0	0	111.6	D73 L163	P69-D73 HydrophobicContact CB-CB 4.02Å; P69-L163 HydrophobicContact CB-CB 4.3Å; P69-L163 HydrophobicContact CB-CD2 4.18Å; P69-L163 HydrophobicContact CG-CB 4.16Å; P69-L163 HydrophobicContact CG-CD2 4.01Å; P69-L163 VanDerWaalsContact O-CB 3.28Å; P69-L163 WeakPolarHBondContact O-CB 3.48Å; P69-L163 PolarHBondContact O-N 3.13Å
70	S	98.9	Very high	98.7	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	25%	0.248	C	C	.	.	B	Isolated β-bridge	trans	-92	173.2	163	77.7	0	0	0	0	111.2	W72 D73 A74 L161	S70-W72 PolarHBondContact O-N 2.9Å; S70-W72 PolarHBondContact OG-N 3.14Å; S70-D73 WeakPolarHBondContact CA-OD2 3.46Å; S70-D73 VanDerWaalsContact CB-OD2 3.22Å; S70-D73 WeakPolarHBondContact CB-OD2 3.08Å; S70-D73 PolarHBondContact N-OD2 2.93Å; S70-D73 WeakPolarHBondContact O-CB 3.44Å; S70-D73 PolarHBondContact O-N 3.48Å; S70-D73 PolarHBondContact OG-N 2.79Å; S70-D73 PolarHBondContact OG-OD2 3.26Å; S70-A74 PolarHBondContact O-N 3.4Å; S70-L161 CarbonylContact C-O 3.58Å; S70-L161 WeakPolarHBondContact CA-O 3.26Å; S70-L161 VanDerWaalsContact CB-O 3.29Å; S70-L161 WeakPolarHBondContact CB-O 3.36Å
71	I	98.9	Very high	98.6	Very high	11 Å²	11	36.6 Å²	36.6	6%	0.056	25%	0.253	C	S	.	.	H	α-helix	trans	-58.3	-29.5	171	62.7	175.4	0	0	0	112.5	F75 L161 L163 E166 P219	I71-F75 VanDerWaalsContact O-CB 3.24Å; I71-F75 WeakPolarHBondContact O-CB 3.22Å; I71-F75 PolarHBondContact O-N 2.81Å; I71-L161 HydrophobicContact CD1-CB 3.99Å; I71-L161 HydrophobicContact CG1-CB 4.19Å; I71-L161 HydrophobicContact CG2-CB 4.21Å; I71-L161 HydrophobicContact CG2-CD2 4.42Å; I71-L161 PolarHBondContact N-O 2.85Å; I71-L163 HydrophobicContact CG2-CD1 4.3Å; I71-E166 HydrophobicContact CG2-CB 3.54Å; I71-E166 HydrophobicContact CG2-CG 3.8Å; I71-P219 HydrophobicContact CB-CB 4.09Å; I71-P219 HydrophobicContact CD1-CB 4.07Å; I71-P219 HydrophobicContact CD1-CG 4.29Å; I71-P219 HydrophobicContact CG1-CB 4.12Å; I71-P219 HydrophobicContact CG1-CG 4.2Å
72	W	98.9	Very high	98.6	Very high	3 Å²	3	35 Å²	35	1%	0.011	25%	0.245	C	C	.	.	H	α-helix	trans	-75.2	-30.5	178.1	-94	103.4	0	0	0	113.2	Y56 S70 F75 A76 N218 P219 F467 W469 L470	Y56-W72 HydrophobicContact CD1-CB 3.88Å; Y56-W72 HydrophobicContact CD1-CG 4.38Å; Y56-W72 HydrophobicContact CE1-CB 3.73Å; Y56-W72 HydrophobicContact CE1-CE3 4.41Å; Y56-W72 HydrophobicContact CE1-CG 4.43Å; Y56-W72 HydrophobicContact CG-CB 4.34Å; Y56-W72 PolarHBondContact OH-O 2.79Å; S70-W72 PolarHBondContact O-N 2.9Å; S70-W72 PolarHBondContact OG-N 3.14Å; W72-F75 AromaticContact CE3-CD1 3.79Å; W72-F75 HydrophobicContact CE3-CD1 3.79Å; W72-F75 HydrophobicContact CE3-CE1 4.37Å; W72-F75 HydrophobicContact CH2-CD1 4.31Å; W72-F75 HydrophobicContact CH2-CE1 4.13Å; W72-F75 AromaticContact CZ3-CD1 3.58Å; W72-F75 HydrophobicContact CZ3-CD1 3.58Å; W72-F75 AromaticContact CZ3-CE1 3.69Å; W72-F75 HydrophobicContact CZ3-CE1 3.69Å; W72-A76 VanDerWaalsContact O-CB 3.22Å; W72-A76 WeakPolarHBondContact O-CB 3.22Å; W72-A76 PolarHBondContact O-N 3.45Å; W72-N218 HydrophobicContact CZ2-CB 4.41Å; W72-P219 HydrophobicContact CD2-CG 3.94Å; W72-P219 HydrophobicContact CG-CG 4.08Å; W72-P219 HydrophobicContact CZ2-CG 4.33Å; W72-F467 HydrophobicContact CE3-CE1 4.23Å; W72-F467 HydrophobicContact CZ3-CE1 4.27Å; W72-W469 AromaticContact CD1-CZ3 3.91Å; W72-W469 AromaticContact CD2-CE3 3.71Å; W72-W469 HydrophobicContact CD2-CE3 3.71Å; W72-W469 AromaticContact CD2-CZ3 3.86Å; W72-W469 HydrophobicContact CD2-CZ3 3.86Å; W72-W469 AromaticContact CE2-CE3 3.38Å; W72-W469 AromaticContact CE2-CZ3 3.69Å; W72-W469 HydrophobicContact CE3-CE3 4.02Å; W72-W469 HydrophobicContact CE3-CZ3 4.5Å; W72-W469 HydrophobicContact CG-CE3 4.36Å; W72-W469 HydrophobicContact CG-CZ3 4.02Å; W72-W469 HydrophobicContact CH2-CB 3.64Å; W72-W469 HydrophobicContact CH2-CD2 4.32Å; W72-W469 AromaticContact CH2-CE3 3.81Å; W72-W469 HydrophobicContact CH2-CE3 3.81Å; W72-W469 HydrophobicContact CH2-CG 4.3Å; W72-W469 HydrophobicContact CZ2-CB 4.07Å; W72-W469 AromaticContact CZ2-CD2 3.99Å; W72-W469 HydrophobicContact CZ2-CD2 3.99Å; W72-W469 AromaticContact CZ2-CE3 3.44Å; W72-W469 HydrophobicContact CZ2-CE3 3.44Å; W72-W469 VanDerWaalsContact CZ2-CE3 3.44Å; W72-W469 HydrophobicContact CZ2-CG 4.27Å; W72-W469 HydrophobicContact CZ2-CZ3 4.21Å; W72-W469 HydrophobicContact CZ3-CB 4.33Å; W72-W469 HydrophobicContact CZ3-CE3 4.07Å; W72-W469 AromaticContact NE1-CE3 3.84Å; W72-W469 AromaticContact NE1-CZ3 3.69Å; W72-L470 HydrophobicContact CH2-CD2 4.08Å
73	D	98.9	Very high	98.6	Very high	10 Å²	10	36.5 Å²	36.5	5%	0.053	26%	0.258	C	S	.	.	H	α-helix	trans	-62.2	-52.5	172.9	-61.1	-106.7	0	0	0	109.9	Y56 A62 R67 P69 S70 F75 A76 H77	Y56-D73 HydrophobicContact CE2-CB 4.5Å; Y56-D73 WeakPolarHBondContact CE2-OD1 3.45Å; Y56-D73 WeakPolarHBondContact OH-CA 3.25Å; A62-D73 WeakPolarHBondContact CB-OD1 3.49Å; R67-D73 IonicContact CZ-OD1 3.87Å; R67-D73 IonicContact CZ-OD2 2.69Å; R67-D73 VanDerWaalsContact NH1-CG 3.31Å; R67-D73 IonicContact NH1-OD1 3.72Å; R67-D73 PolarHBondContact NH1-OD1 2.75Å; R67-D73 IonicContact NH1-OD2 3.45Å; R67-D73 PolarHBondContact NH1-OD2 3.27Å; R67-D73 VanDerWaalsContact NH1-OD2 3.11Å; R67-D73 IonicContact NH2-OD1 2.63Å; R67-D73 IonicContact NH2-OD2 2.79Å; R67-D73 PolarHBondContact NH2-OD2 2.91Å; P69-D73 HydrophobicContact CB-CB 4.02Å; S70-D73 WeakPolarHBondContact CA-OD2 3.46Å; S70-D73 VanDerWaalsContact CB-OD2 3.22Å; S70-D73 WeakPolarHBondContact CB-OD2 3.08Å; S70-D73 PolarHBondContact N-OD2 2.93Å; S70-D73 WeakPolarHBondContact O-CB 3.44Å; S70-D73 PolarHBondContact O-N 3.48Å; S70-D73 PolarHBondContact OG-N 2.79Å; S70-D73 PolarHBondContact OG-OD2 3.26Å; D73-F75 VanDerWaalsContact C-N 3.35Å; D73-F75 PolarHBondContact O-N 3.13Å; D73-A76 PolarHBondContact O-N 2.9Å; D73-H77 WeakPolarHBondContact O-CB 3.14Å; D73-H77 PolarHBondContact O-N 3.48Å; D73-H77 PolarHBondContact O-ND1 3.47Å
74	A	98.7	Very high	98.6	Very high	41 Å²	41	35.4 Å²	35.4	34%	0.339	26%	0.255	S	S	.	.	H	α-helix	trans	-62.7	-41.3	178	0	0	0	0	0	112.4	S70 T78 L163	S70-A74 PolarHBondContact O-N 3.4Å; A74-T78 PolarHBondContact O-OG1 2.71Å; A74-T78 VanDerWaalsContact O-OG1 3.05Å; A74-L163 HydrophobicContact CB-CD1 4.1Å; A74-L163 HydrophobicContact CB-CD2 3.92Å
75	F	98.8	Very high	98.6	Very high	11 Å²	11	37.1 Å²	37.1	5%	0.048	26%	0.26	C	S	.	.	H	α-helix	trans	-63.3	-50.2	179.1	178	-87	0	0	0	112	I71 W72 D73 H77 T78 N81 V82 T217 P219 K221 L470	I71-F75 VanDerWaalsContact O-CB 3.24Å; I71-F75 WeakPolarHBondContact O-CB 3.22Å; I71-F75 PolarHBondContact O-N 2.81Å; W72-F75 AromaticContact CE3-CD1 3.79Å; W72-F75 HydrophobicContact CE3-CD1 3.79Å; W72-F75 HydrophobicContact CE3-CE1 4.37Å; W72-F75 HydrophobicContact CH2-CD1 4.31Å; W72-F75 HydrophobicContact CH2-CE1 4.13Å; W72-F75 AromaticContact CZ3-CD1 3.58Å; W72-F75 HydrophobicContact CZ3-CD1 3.58Å; W72-F75 AromaticContact CZ3-CE1 3.69Å; W72-F75 HydrophobicContact CZ3-CE1 3.69Å; D73-F75 VanDerWaalsContact C-N 3.35Å; D73-F75 PolarHBondContact O-N 3.13Å; F75-H77 VanDerWaalsContact C-N 3.3Å; F75-H77 PolarHBondContact O-N 2.94Å; F75-T78 WeakPolarHBondContact O-CB 3.4Å; F75-T78 PolarHBondContact O-N 3.27Å; F75-T78 VanDerWaalsContact O-N 3.16Å; F75-N81 HydrophobicContact CD1-CB 4.01Å; F75-N81 HydrophobicContact CD2-CB 4.47Å; F75-N81 WeakPolarHBondContact CD2-ND2 3.26Å; F75-N81 HydrophobicContact CE1-CB 3.64Å; F75-N81 HydrophobicContact CE2-CB 4.16Å; F75-N81 HydrophobicContact CG-CB 4.4Å; F75-N81 HydrophobicContact CZ-CB 3.71Å; F75-N81 WeakPolarHBondContact O-CB 3.33Å; F75-N81 PolarHBondContact O-ND2 3.07Å; F75-V82 HydrophobicContact CD1-CG2 4.15Å; F75-V82 HydrophobicContact CE1-CG2 3.86Å; F75-T217 WeakPolarHBondContact CE2-O 3.12Å; F75-T217 VanDerWaalsContact CZ-O 3.28Å; F75-T217 WeakPolarHBondContact CZ-O 3.49Å; F75-P219 HydrophobicContact CB-CB 3.96Å; F75-P219 HydrophobicContact CB-CG 3.77Å; F75-P219 HydrophobicContact CD1-CG 4.44Å; F75-P219 HydrophobicContact CD2-CB 3.9Å; F75-P219 VanDerWaalsContact CD2-CD 3.49Å; F75-P219 HydrophobicContact CD2-CG 3.92Å; F75-P219 HydrophobicContact CG-CB 4.15Å; F75-P219 HydrophobicContact CG-CG 3.8Å; F75-K221 HydrophobicContact CD2-CD 3.89Å; F75-K221 HydrophobicContact CD2-CG 3.9Å; F75-K221 HydrophobicContact CE2-CD 3.5Å; F75-K221 HydrophobicContact CE2-CG 3.57Å; F75-L470 HydrophobicContact CE1-CD2 3.56Å; F75-L470 HydrophobicContact CZ-CD2 3.47Å; F75-L470 VanDerWaalsContact CZ-CD2 3.47Å
76	A	98.6	Very high	98.7	Very high	2 Å²	2	40.9 Å²	40.9	2%	0.017	28%	0.275	C	S	.	.	H	α-helix	trans	-70.5	-26.5	-174.9	0	0	0	0	0	113	W72 D73 T78 V82 N87 F467	W72-A76 VanDerWaalsContact O-CB 3.22Å; W72-A76 WeakPolarHBondContact O-CB 3.22Å; W72-A76 PolarHBondContact O-N 3.45Å; D73-A76 PolarHBondContact O-N 2.9Å; A76-T78 VanDerWaalsContact C-N 3.27Å; A76-T78 PolarHBondContact O-N 3.13Å; A76-V82 HydrophobicContact CB-CG2 4.04Å; A76-N87 HydrophobicContact CB-CB 3.73Å; A76-F467 HydrophobicContact CB-CZ 4.24Å
77	H	98.8	Very high	98.7	Very high	102 Å²	102	40.7 Å²	40.7	47%	0.472	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-9	173.6	-78.6	85.6	0	0	0	114.4	D73 F75 P79 N87 D89	D73-H77 WeakPolarHBondContact O-CB 3.14Å; D73-H77 PolarHBondContact O-N 3.48Å; D73-H77 PolarHBondContact O-ND1 3.47Å; F75-H77 VanDerWaalsContact C-N 3.3Å; F75-H77 PolarHBondContact O-N 2.94Å; H77-P79 WeakPolarHBondContact O-CD 3.45Å; H77-N87 PolarHBondContact CE1-ND2 3.13Å; H77-N87 PolarHBondContact NE2-ND2 2.83Å; H77-D89 IonicContact CE1-OD1 2.89Å; H77-D89 PolarHBondContact CE1-OD1 3.32Å; H77-D89 IonicContact CE1-OD2 2.8Å; H77-D89 IonicContact NE2-OD1 2.82Å; H77-D89 IonicContact NE2-OD2 3.8Å; H77-D89 PolarHBondContact NE2-OD2 3.43Å
78	T	98.7	Very high	98.7	Very high	70 Å²	70	40 Å²	40	43%	0.429	26%	0.262	S	S	.	.	S	Bend	trans	-85.2	122.4	176.2	-58.4	0	0	0	0	109.6	A74 F75 A76 G80 N81	A74-T78 PolarHBondContact O-OG1 2.71Å; A74-T78 VanDerWaalsContact O-OG1 3.05Å; F75-T78 WeakPolarHBondContact O-CB 3.4Å; F75-T78 PolarHBondContact O-N 3.27Å; F75-T78 VanDerWaalsContact O-N 3.16Å; A76-T78 VanDerWaalsContact C-N 3.27Å; A76-T78 PolarHBondContact O-N 3.13Å; T78-G80 PolarHBondContact O-N 2.59Å; T78-N81 WeakPolarHBondContact CB-ND2 3.27Å; T78-N81 WeakPolarHBondContact O-CB 3.27Å; T78-N81 PolarHBondContact O-N 3.2Å
79	P	98.7	Very high	98.7	Very high	103 Å²	103	42.1 Å²	42.1	67%	0.669	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	137	-179.6	-27.7	35.6	0	0	0	113.2	H77 N81	H77-P79 WeakPolarHBondContact O-CD 3.45Å; P79-N81 VanDerWaalsContact C-N 3.32Å; P79-N81 PolarHBondContact O-N 3.45Å
80	G	98.2	Very high	98.7	Very high	67 Å²	67	42.7 Å²	42.7	69%	0.691	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.9	-8.4	178.3	0	0	0	0	0	115.3	T78 N85	T78-G80 PolarHBondContact O-N 2.59Å; G80-N85 PolarHBondContact N-OD1 3.46Å
81	N	98.5	Very high	98.7	Very high	25 Å²	25	42.8 Å²	42.8	13%	0.134	28%	0.275	C	S	.	.	S	Bend	trans	-76.5	-32	179.2	-84.7	-6.1	0	0	0	113.8	F75 T78 P79 K221	F75-N81 HydrophobicContact CD1-CB 4.01Å; F75-N81 HydrophobicContact CD2-CB 4.47Å; F75-N81 WeakPolarHBondContact CD2-ND2 3.26Å; F75-N81 HydrophobicContact CE1-CB 3.64Å; F75-N81 HydrophobicContact CE2-CB 4.16Å; F75-N81 HydrophobicContact CG-CB 4.4Å; F75-N81 HydrophobicContact CZ-CB 3.71Å; F75-N81 WeakPolarHBondContact O-CB 3.33Å; F75-N81 PolarHBondContact O-ND2 3.07Å; T78-N81 WeakPolarHBondContact CB-ND2 3.27Å; T78-N81 WeakPolarHBondContact O-CB 3.27Å; T78-N81 PolarHBondContact O-N 3.2Å; P79-N81 VanDerWaalsContact C-N 3.32Å; P79-N81 PolarHBondContact O-N 3.45Å; N81-K221 PolarHBondContact OD1-NZ 2.93Å
82	V	98.8	Very high	98.7	Very high	6 Å²	6	42.3 Å²	42.3	4%	0.036	27%	0.272	C	S	.	.	S	Bend	trans	-126.5	145.2	-177.3	178.4	0	0	0	0	109.6	F75 A76 G84 N85 Q86 F467 W469	F75-V82 HydrophobicContact CD1-CG2 4.15Å; F75-V82 HydrophobicContact CE1-CG2 3.86Å; A76-V82 HydrophobicContact CB-CG2 4.04Å; V82-G84 PolarHBondContact O-N 3.48Å; V82-N85 PolarHBondContact O-N 3.11Å; V82-Q86 WeakPolarHBondContact CB-O 3.29Å; V82-Q86 HydrophobicContact CG1-CB 4.46Å; V82-Q86 VanDerWaalsContact CG1-O 3.28Å; V82-Q86 WeakPolarHBondContact CG1-O 3.49Å; V82-F467 HydrophobicContact CG1-CE2 3.85Å; V82-F467 HydrophobicContact CG1-CZ 3.97Å; V82-F467 HydrophobicContact CG2-CZ 4.15Å; V82-W469 WeakPolarHBondContact CG1-O 3.28Å
83	A	98.5	Very high	98.7	Very high	35 Å²	35	43.6 Å²	43.6	29%	0.289	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-51.2	125.4	177.6	0	0	0	0	0	111.5	N85 Q86 L470 T474	A83-N85 PolarHBondContact O-N 3Å; A83-Q86 WeakPolarHBondContact O-CG 3.35Å; A83-Q86 PolarHBondContact O-N 3.21Å; A83-L470 PolarHBondContact N-O 3.38Å; A83-T474 HydrophobicContact CB-CG2 4.04Å
84	G	97.9	Very high	98.7	Very high	64 Å²	64	43.3 Å²	43.3	66%	0.66	28%	0.278	S	S	*	.	G	3₁₀ helix	trans	64.7	20.6	-179.1	0	0	0	0	0	114.8	V82 Q86	V82-G84 PolarHBondContact O-N 3.48Å; G84-Q86 PolarHBondContact O-N 2.87Å; G84-Q86 VanDerWaalsContact O-N 3.1Å; G84-Q86 PolarHBondContact O-NE2 3.07Å
85	N	98.6	Very high	98.7	Very high	94 Å²	94	42.5 Å²	42.5	50%	0.503	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	50.5	32.3	-174.7	-61.3	-27.8	0	0	0	113	G80 V82 A83	G80-N85 PolarHBondContact N-OD1 3.46Å; V82-N85 PolarHBondContact O-N 3.11Å; A83-N85 PolarHBondContact O-N 3Å
86	Q	98.7	Very high	98.7	Very high	88 Å²	88	47.2 Å²	47.2	41%	0.411	29%	0.288	S	S	.	.			trans	-77.8	156	178.1	-60.8	-60.6	-66.7	0	0	110.5	V82 A83 G84 Y473	V82-Q86 WeakPolarHBondContact CB-O 3.29Å; V82-Q86 HydrophobicContact CG1-CB 4.46Å; V82-Q86 VanDerWaalsContact CG1-O 3.28Å; V82-Q86 WeakPolarHBondContact CG1-O 3.49Å; A83-Q86 WeakPolarHBondContact O-CG 3.35Å; A83-Q86 PolarHBondContact O-N 3.21Å; G84-Q86 PolarHBondContact O-N 2.87Å; G84-Q86 VanDerWaalsContact O-N 3.1Å; G84-Q86 PolarHBondContact O-NE2 3.07Å; Q86-Y473 HydrophobicContact CB-CD2 3.85Å; Q86-Y473 HydrophobicContact CB-CE2 3.93Å; Q86-Y473 HydrophobicContact CG-CD2 3.9Å; Q86-Y473 HydrophobicContact CG-CE2 4.35Å
87	N	98.8	Very high	98.7	Very high	34 Å²	34	50.6 Å²	50.6	18%	0.182	30%	0.301	C	S	.	.			trans	-140.4	177	178	66.1	26.2	0	0	0	111.1	A76 H77 D89 Y473	A76-N87 HydrophobicContact CB-CB 3.73Å; H77-N87 PolarHBondContact CE1-ND2 3.13Å; H77-N87 PolarHBondContact NE2-ND2 2.83Å; N87-D89 VanDerWaalsContact ND2-CG 3.3Å; N87-D89 PolarHBondContact ND2-OD2 2.93Å; N87-D89 VanDerWaalsContact OD1-CB 3.3Å; N87-D89 WeakPolarHBondContact OD1-CB 3.26Å; N87-D89 PolarHBondContact OD1-N 3.35Å; N87-D89 VanDerWaalsContact OD1-N 3.13Å; N87-D89 PolarHBondContact OD1-OD2 3.4Å; N87-Y473 PolarHBondContact O-OH 2.62Å
88	G	98.8	Very high	98.7	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.01	28%	0.284	C	S	.	.	S	Bend	trans	-91.2	17.9	180	0	0	0	0	0	114.5	Y56 V90	Y56-G88 PolarHBondContact OH-N 3.05Å; G88-V90 VanDerWaalsContact C-N 3.29Å; G88-V90 PolarHBondContact O-N 3.03Å
89	D	98.8	Very high	98.7	Very high	52 Å²	52	48.8 Å²	48.8	28%	0.278	29%	0.285	S	S	.	.	S	Bend	trans	-58.7	-43.2	-172.5	-72	-8.8	0	0	0	112.5	G60 M61 A62 H77 N87	G60-D89 CarbonylContact C-O 3.44Å; G60-D89 VanDerWaalsContact CA-O 3.29Å; G60-D89 WeakPolarHBondContact CA-O 3.35Å; M61-D89 PolarHBondContact N-O 2.94Å; A62-D89 PolarHBondContact N-O 3.25Å; H77-D89 IonicContact CE1-OD1 2.89Å; H77-D89 PolarHBondContact CE1-OD1 3.32Å; H77-D89 IonicContact CE1-OD2 2.8Å; H77-D89 IonicContact NE2-OD1 2.82Å; H77-D89 IonicContact NE2-OD2 3.8Å; H77-D89 PolarHBondContact NE2-OD2 3.43Å; N87-D89 VanDerWaalsContact ND2-CG 3.3Å; N87-D89 PolarHBondContact ND2-OD2 2.93Å; N87-D89 VanDerWaalsContact OD1-CB 3.3Å; N87-D89 WeakPolarHBondContact OD1-CB 3.26Å; N87-D89 PolarHBondContact OD1-N 3.35Å; N87-D89 VanDerWaalsContact OD1-N 3.13Å; N87-D89 PolarHBondContact OD1-OD2 3.4Å
90	V	98.9	Very high	98.7	Very high	78 Å²	78	47.2 Å²	47.2	47%	0.473	27%	0.269	S	S	.	.	S	Bend	trans	-105.3	-38.4	176	-176.1	0	0	0	0	110.9	G60 G88 T92 D93 L487	G60-V90 VanDerWaalsContact CA-C 3.48Å; G60-V90 WeakPolarHBondContact CA-O 3.29Å; G88-V90 VanDerWaalsContact C-N 3.29Å; G88-V90 PolarHBondContact O-N 3.03Å; V90-T92 PolarHBondContact O-N 3.33Å; V90-T92 VanDerWaalsContact O-N 3.16Å; V90-D93 HydrophobicContact CG1-CB 4.3Å; V90-D93 WeakPolarHBondContact O-CA 3.2Å; V90-D93 PolarHBondContact O-N 2.8Å; V90-L487 HydrophobicContact CG1-CD1 3.97Å
91	A	98.7	Very high	98.8	Very high	2 Å²	2	44.1 Å²	44.1	2%	0.017	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.7	-117.8	-177.2	0	0	0	0	0	112	Q57 Y473	Q57-A91 WeakPolarHBondContact O-CB 3.41Å; A91-Y473 VanDerWaalsContact CA-OH 3.27Å; A91-Y473 WeakPolarHBondContact CA-OH 3.37Å; A91-Y473 PolarHBondContact N-OH 3.4Å
92	T	98.9	Very high	98.8	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.1	0.6	172.6	74.2	0	0	0	0	112.4	V58 V90 Q94 L464 D465 N466 V482 F484 R489	V58-T92 HydrophobicContact CB-CG2 4.31Å; V58-T92 WeakPolarHBondContact CB-OG1 3.3Å; V58-T92 HydrophobicContact CG1-CG2 4.21Å; V58-T92 PolarHBondContact O-N 2.88Å; V58-T92 PolarHBondContact O-OG1 3.45Å; V90-T92 PolarHBondContact O-N 3.33Å; V90-T92 VanDerWaalsContact O-N 3.16Å; T92-Q94 PolarHBondContact O-N 3.15Å; T92-L464 HydrophobicContact CG2-CB 4.37Å; T92-L464 HydrophobicContact CG2-CD1 4.17Å; T92-D465 WeakPolarHBondContact CG2-O 3.42Å; T92-N466 HydrophobicContact CG2-CB 4.28Å; T92-V482 HydrophobicContact CG2-CG2 4.39Å; T92-F484 HydrophobicContact CG2-CE1 4.4Å; T92-R489 PolarHBondContact O-NH1 3.43Å; T92-R489 PolarHBondContact O-NH2 2.89Å
93	D	98.9	Very high	98.8	Very high	31 Å²	31	45.6 Å²	45.6	17%	0.166	24%	0.244	C	C	.	.			trans	54.8	36.2	-171.5	-165.6	36.5	0	0	0	113.2	V58 E59 V90 Y95 H96 R97 L487	V58-D93 PolarHBondContact O-N 3.23Å; E59-D93 CarbonylContact O-C 3.54Å; E59-D93 WeakPolarHBondContact O-CA 3.26Å; V90-D93 HydrophobicContact CG1-CB 4.3Å; V90-D93 WeakPolarHBondContact O-CA 3.2Å; V90-D93 PolarHBondContact O-N 2.8Å; D93-Y95 PolarHBondContact O-N 3.44Å; D93-H96 PolarHBondContact O-N 2.65Å; D93-H96 IonicContact OD1-CE1 3.53Å; D93-H96 IonicContact OD1-CG 2.66Å; D93-H96 IonicContact OD1-ND1 3.18Å; D93-H96 PolarHBondContact OD1-ND1 3.28Å; D93-H96 IonicContact OD2-CG 3.4Å; D93-H96 IonicContact OD2-ND1 3.32Å; D93-H96 PolarHBondContact OD2-ND1 2.88Å; D93-R97 WeakPolarHBondContact O-CB 3.26Å; D93-R97 WeakPolarHBondContact O-CG 3.22Å; D93-R97 PolarHBondContact O-N 3.17Å; D93-L487 HydrophobicContact CB-CD1 3.76Å
94	Q	98.9	Very high	98.8	Very high	3 Å²	3	45.3 Å²	45.3	1%	0.014	24%	0.237	C	C	.	.	H	α-helix	trans	-61.1	-24.9	175.9	-179.4	169.1	96.6	0	0	111.3	V58 E59 T92 H96 R97 Y98 D101 Y113	V58-Q94 HydrophobicContact CB-CB 4.24Å; V58-Q94 HydrophobicContact CG2-CB 4.19Å; V58-Q94 VanDerWaalsContact CG2-OE1 3.31Å; V58-Q94 VanDerWaalsContact O-CB 3.3Å; V58-Q94 WeakPolarHBondContact O-CB 3.49Å; V58-Q94 PolarHBondContact O-N 2.83Å; E59-Q94 PolarHBondContact O-N 3.42Å; T92-Q94 PolarHBondContact O-N 3.15Å; Q94-H96 PolarHBondContact O-N 3.08Å; Q94-R97 PolarHBondContact O-N 3.13Å; Q94-R97 VanDerWaalsContact O-N 3.16Å; Q94-Y98 WeakPolarHBondContact O-CA 3.38Å; Q94-Y98 VanDerWaalsContact O-CB 3.29Å; Q94-Y98 WeakPolarHBondContact O-CB 3.26Å; Q94-Y98 PolarHBondContact O-N 3Å; Q94-D101 WeakPolarHBondContact CG-OD2 3.42Å; Q94-D101 PolarHBondContact NE2-OD2 2.86Å; Q94-Y113 PolarHBondContact NE2-OH 3.14Å; Q94-Y113 PolarHBondContact OE1-OH 2.88Å
95	Y	98.9	Very high	98.8	Very high	24 Å²	24	42.2 Å²	42.2	9%	0.094	21%	0.206	C	C	.	.	H	α-helix	trans	-51.4	-44.1	174.6	-172.6	-87.6	0	0	0	112.1	E59 M61 D93 Y137	E59-Y95 VanDerWaalsContact O-CB 3.24Å; E59-Y95 WeakPolarHBondContact O-CB 3.47Å; E59-Y95 PolarHBondContact O-N 3.47Å; M61-Y95 HydrophobicContact CB-CD1 4.09Å; M61-Y95 HydrophobicContact CB-CD2 4.24Å; M61-Y95 HydrophobicContact CB-CG 3.88Å; M61-Y95 HydrophobicContact CE-CD1 4.24Å; M61-Y95 HydrophobicContact CE-CE1 3.97Å; M61-Y95 HydrophobicContact CG-CD1 3.62Å; M61-Y95 HydrophobicContact CG-CE1 4.27Å; M61-Y95 HydrophobicContact CG-CG 3.84Å; D93-Y95 PolarHBondContact O-N 3.44Å; Y95-Y137 HydrophobicContact CD2-CD1 4Å; Y95-Y137 AromaticContact CD2-CD2 3.62Å; Y95-Y137 HydrophobicContact CD2-CD2 3.62Å; Y95-Y137 HydrophobicContact CD2-CE1 4.17Å; Y95-Y137 AromaticContact CD2-CE2 3.85Å; Y95-Y137 HydrophobicContact CD2-CE2 3.85Å; Y95-Y137 AromaticContact CD2-CG 3.72Å; Y95-Y137 HydrophobicContact CD2-CG 3.72Å; Y95-Y137 AromaticContact CE2-CD1 3.97Å; Y95-Y137 HydrophobicContact CE2-CD1 3.97Å; Y95-Y137 AromaticContact CE2-CD2 3.7Å; Y95-Y137 HydrophobicContact CE2-CD2 3.7Å; Y95-Y137 HydrophobicContact CE2-CE2 4.39Å; Y95-Y137 AromaticContact CE2-CG 3.47Å; Y95-Y137 HydrophobicContact CE2-CG 3.47Å; Y95-Y137 VanDerWaalsContact CE2-CG 3.47Å; Y95-Y137 HydrophobicContact CG-CD2 4.2Å; Y95-Y137 HydrophobicContact CG-CE2 4.23Å
96	H	98.9	Very high	98.9	Very high	110 Å²	110	42.2 Å²	42.2	51%	0.509	20%	0.201	S	C	.	.	H	α-helix	trans	-92.4	-23.6	176	-57.5	117.5	0	0	0	113.7	M61 D93 Q94	M61-H96 VanDerWaalsContact CG-CE1 3.41Å; M61-H96 WeakPolarHBondContact CG-CE1 3.1Å; M61-H96 PolarHBondContact SD-CE1 2.96Å; D93-H96 PolarHBondContact O-N 2.65Å; D93-H96 IonicContact OD1-CE1 3.53Å; D93-H96 IonicContact OD1-CG 2.66Å; D93-H96 IonicContact OD1-ND1 3.18Å; D93-H96 PolarHBondContact OD1-ND1 3.28Å; D93-H96 IonicContact OD2-CG 3.4Å; D93-H96 IonicContact OD2-ND1 3.32Å; D93-H96 PolarHBondContact OD2-ND1 2.88Å; Q94-H96 PolarHBondContact O-N 3.08Å
97	R	98.9	Very high	98.9	Very high	73 Å²	73	41.2 Å²	41.2	28%	0.275	20%	0.204	S	C	.	.	H	α-helix	trans	-105.9	6.9	-171	-57.4	-177.8	72.4	114	-1.9	114.9	D93 Q94 K99 E100 D101	D93-R97 WeakPolarHBondContact O-CB 3.26Å; D93-R97 WeakPolarHBondContact O-CG 3.22Å; D93-R97 PolarHBondContact O-N 3.17Å; Q94-R97 PolarHBondContact O-N 3.13Å; Q94-R97 VanDerWaalsContact O-N 3.16Å; R97-K99 PolarHBondContact O-N 3.09Å; R97-E100 IonicContact CZ-OE2 3.1Å; R97-E100 IonicContact NE-OE2 3.19Å; R97-E100 PolarHBondContact NE-OE2 3.08Å; R97-E100 IonicContact NH2-OE1 3.27Å; R97-E100 PolarHBondContact NH2-OE1 3.09Å; R97-E100 IonicContact NH2-OE2 2.69Å; R97-E100 PolarHBondContact NH2-OE2 3Å; R97-E100 VanDerWaalsContact O-CB 3.3Å; R97-E100 WeakPolarHBondContact O-CB 3.46Å; R97-E100 PolarHBondContact O-N 3.18Å; R97-D101 PolarHBondContact O-N 3.33Å
98	Y	98.9	Very high	98.9	Very high	29 Å²	29	39.7 Å²	39.7	11%	0.114	20%	0.196	C	C	.	.	H	α-helix	trans	-53.4	-32.7	-175.1	73.6	-81.4	0	0	0	114.2	Q94 D101 V102 Y137 L141 Y144	Q94-Y98 WeakPolarHBondContact O-CA 3.38Å; Q94-Y98 VanDerWaalsContact O-CB 3.29Å; Q94-Y98 WeakPolarHBondContact O-CB 3.26Å; Q94-Y98 PolarHBondContact O-N 3Å; Y98-D101 PolarHBondContact O-N 2.63Å; Y98-V102 WeakPolarHBondContact O-CB 3.4Å; Y98-V102 WeakPolarHBondContact O-CG2 3.46Å; Y98-V102 PolarHBondContact O-N 3.12Å; Y98-Y137 HydrophobicContact CD1-CE2 4.45Å; Y98-L141 HydrophobicContact CD2-CB 4.24Å; Y98-L141 HydrophobicContact CD2-CD1 3.87Å; Y98-L141 HydrophobicContact CG-CD1 4.36Å; Y98-Y144 HydrophobicContact CE2-CD1 4.47Å; Y98-Y144 HydrophobicContact CE2-CG 4.27Å
99	K	98.9	Very high	98.9	Very high	105 Å²	105	41.9 Å²	41.9	46%	0.457	21%	0.207	S	C	.	.	H	α-helix	trans	-67.1	-35.8	177.2	-65.1	-171.6	-177.6	174.8	0	112.8	R97 N103 Y144	R97-K99 PolarHBondContact O-N 3.09Å; K99-N103 WeakPolarHBondContact O-CB 3.32Å; K99-N103 PolarHBondContact O-N 3.25Å; K99-N103 PolarHBondContact O-ND2 3.08Å; K99-Y144 VanDerWaalsContact CA-CE1 3.49Å; K99-Y144 HydrophobicContact CB-CD1 4.1Å; K99-Y144 HydrophobicContact CB-CE1 3.64Å; K99-Y144 HydrophobicContact CB-CE2 4.48Å; K99-Y144 HydrophobicContact CD-CD2 4.18Å; K99-Y144 HydrophobicContact CD-CE2 3.97Å; K99-Y144 HydrophobicContact CG-CD1 3.83Å; K99-Y144 HydrophobicContact CG-CD2 4.12Å; K99-Y144 HydrophobicContact CG-CE1 3.81Å; K99-Y144 HydrophobicContact CG-CE2 4.08Å; K99-Y144 HydrophobicContact CG-CG 3.99Å; K99-Y144 WeakPolarHBondContact O-CE1 3.41Å
100	E	98.9	Very high	98.9	Very high	71 Å²	71	39.7 Å²	39.7	33%	0.332	20%	0.195	S	C	.	.	H	α-helix	trans	-64.3	-50.6	173.7	-179	-173.3	-173.1	0	0	109.9	R97 V102 N103 L104	R97-E100 IonicContact CZ-OE2 3.1Å; R97-E100 IonicContact NE-OE2 3.19Å; R97-E100 PolarHBondContact NE-OE2 3.08Å; R97-E100 IonicContact NH2-OE1 3.27Å; R97-E100 PolarHBondContact NH2-OE1 3.09Å; R97-E100 IonicContact NH2-OE2 2.69Å; R97-E100 PolarHBondContact NH2-OE2 3Å; R97-E100 VanDerWaalsContact O-CB 3.3Å; R97-E100 WeakPolarHBondContact O-CB 3.46Å; R97-E100 PolarHBondContact O-N 3.18Å; E100-V102 VanDerWaalsContact C-N 3.32Å; E100-V102 PolarHBondContact O-N 2.88Å; E100-N103 WeakPolarHBondContact O-CB 3.47Å; E100-N103 PolarHBondContact O-N 3.44Å; E100-N103 VanDerWaalsContact O-N 3.13Å; E100-L104 WeakPolarHBondContact O-CB 3.39Å; E100-L104 PolarHBondContact O-N 3.47Å
101	D	98.9	Very high	98.9	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.005	18%	0.18	C	C	.	.	H	α-helix	trans	-61.6	-39.7	-179.1	-63	-20.5	0	0	0	111.6	Q94 R97 Y98 L104 M105 L463 L464 R489	Q94-D101 WeakPolarHBondContact CG-OD2 3.42Å; Q94-D101 PolarHBondContact NE2-OD2 2.86Å; R97-D101 PolarHBondContact O-N 3.33Å; Y98-D101 PolarHBondContact O-N 2.63Å; D101-L104 WeakPolarHBondContact O-CB 3.43Å; D101-L104 PolarHBondContact O-N 3.02Å; D101-M105 PolarHBondContact O-N 3.21Å; D101-L463 HydrophobicContact CB-CD2 4.17Å; D101-L464 WeakPolarHBondContact OD2-CD1 3.5Å; D101-R489 IonicContact OD1-CZ 3.12Å; D101-R489 IonicContact OD1-NE 2.69Å; D101-R489 PolarHBondContact OD1-NE 2.94Å; D101-R489 IonicContact OD1-NH2 3.73Å; D101-R489 PolarHBondContact OD1-NH2 3.42Å; D101-R489 IonicContact OD2-NH2 3.33Å; D101-R489 PolarHBondContact OD2-NH2 3.39Å
102	V	98.9	Very high	98.9	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.006	18%	0.18	C	C	.	.	H	α-helix	trans	-68.8	-38.6	174.9	174	0	0	0	0	112.3	Y98 E100 L104 M105 K106 L141 Y144 L145 K148	Y98-V102 WeakPolarHBondContact O-CB 3.4Å; Y98-V102 WeakPolarHBondContact O-CG2 3.46Å; Y98-V102 PolarHBondContact O-N 3.12Å; E100-V102 VanDerWaalsContact C-N 3.32Å; E100-V102 PolarHBondContact O-N 2.88Å; V102-L104 PolarHBondContact O-N 3.47Å; V102-M105 HydrophobicContact CB-SD 4.44Å; V102-M105 HydrophobicContact CG1-SD 4.45Å; V102-M105 HydrophobicContact CG2-CE 4.08Å; V102-M105 HydrophobicContact CG2-SD 4.26Å; V102-M105 WeakPolarHBondContact O-CG 3.26Å; V102-K106 PolarHBondContact O-N 3.39Å; V102-L141 HydrophobicContact CG2-CD1 4.1Å; V102-Y144 HydrophobicContact CB-CD1 3.7Å; V102-Y144 HydrophobicContact CB-CE1 3.83Å; V102-Y144 HydrophobicContact CG1-CD1 3.62Å; V102-Y144 HydrophobicContact CG1-CE1 3.82Å; V102-Y144 HydrophobicContact CG2-CD1 4.2Å; V102-L145 HydrophobicContact CB-CD2 4.48Å; V102-L145 HydrophobicContact CG1-CD2 4.04Å; V102-L145 HydrophobicContact CG2-CD2 3.6Å; V102-L145 HydrophobicContact CG2-CG 4.03Å; V102-K148 HydrophobicContact CG1-CB 3.91Å; V102-K148 HydrophobicContact CG1-CG 3.88Å
103	N	98.9	Very high	98.9	Very high	62 Å²	62	37.4 Å²	37.4	33%	0.332	18%	0.18	S	C	.	.	H	α-helix	trans	-62	-37.2	172.6	-75.1	-22	0	0	0	110.9	K99 E100 S107 Y144 K148	K99-N103 WeakPolarHBondContact O-CB 3.32Å; K99-N103 PolarHBondContact O-N 3.25Å; K99-N103 PolarHBondContact O-ND2 3.08Å; E100-N103 WeakPolarHBondContact O-CB 3.47Å; E100-N103 PolarHBondContact O-N 3.44Å; E100-N103 VanDerWaalsContact O-N 3.13Å; N103-S107 PolarHBondContact O-N 2.89Å; N103-Y144 PolarHBondContact ND2-OH 2.91Å; N103-Y144 PolarHBondContact OD1-OH 2.9Å; N103-K148 WeakPolarHBondContact OD1-CE 3.3Å; N103-K148 PolarHBondContact OD1-NZ 3.14Å
104	L	98.8	Very high	98.9	Very high	28 Å²	28	36 Å²	36	15%	0.147	17%	0.172	C	C	.	.	H	α-helix	trans	-69.3	-49.9	180	-164.2	58.1	0	0	0	112.2	E100 D101 V102 K106 S107 L108 V480 R489 P491	E100-L104 WeakPolarHBondContact O-CB 3.39Å; E100-L104 PolarHBondContact O-N 3.47Å; D101-L104 WeakPolarHBondContact O-CB 3.43Å; D101-L104 PolarHBondContact O-N 3.02Å; V102-L104 PolarHBondContact O-N 3.47Å; L104-K106 PolarHBondContact O-N 3.44Å; L104-S107 PolarHBondContact O-N 2.99Å; L104-S107 VanDerWaalsContact O-N 3.07Å; L104-S107 PolarHBondContact O-OG 2.9Å; L104-L108 HydrophobicContact CG-CD1 4.36Å; L104-L108 VanDerWaalsContact O-CG 3.27Å; L104-L108 WeakPolarHBondContact O-CG 3.29Å; L104-L108 PolarHBondContact O-N 2.89Å; L104-V480 HydrophobicContact CD2-CB 4.26Å; L104-V480 HydrophobicContact CD2-CG1 3.64Å; L104-V480 HydrophobicContact CD2-CG2 3.61Å; L104-V480 HydrophobicContact CG-CG2 4.34Å; L104-R489 HydrophobicContact CD2-CB 4.27Å; L104-P491 HydrophobicContact CD1-CG 3.81Å; L104-P491 HydrophobicContact CD2-CG 4.4Å
105	M	98.8	Very high	98.9	Very high	0 Å²	0	36 Å²	36	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-59.7	-34.7	176.7	66.9	-174.9	61.3	0	0	112.2	D101 V102 L108 N109 F110 Y113 L145 I150 L463	D101-M105 PolarHBondContact O-N 3.21Å; V102-M105 HydrophobicContact CB-SD 4.44Å; V102-M105 HydrophobicContact CG1-SD 4.45Å; V102-M105 HydrophobicContact CG2-CE 4.08Å; V102-M105 HydrophobicContact CG2-SD 4.26Å; V102-M105 WeakPolarHBondContact O-CG 3.26Å; M105-L108 PolarHBondContact O-N 3.41Å; M105-N109 PolarHBondContact O-N 2.91Å; M105-F110 HydrophobicContact CB-CD2 4.41Å; M105-F110 PolarHBondContact O-N 2.75Å; M105-Y113 HydrophobicContact CE-CD1 3.81Å; M105-Y113 HydrophobicContact CE-CD2 3.69Å; M105-Y113 HydrophobicContact CE-CE1 4.05Å; M105-Y113 HydrophobicContact CE-CE2 4Å; M105-Y113 HydrophobicContact CE-CG 3.6Å; M105-Y113 HydrophobicContact SD-CD1 4.37Å; M105-Y113 HydrophobicContact SD-CD2 4.37Å; M105-Y113 HydrophobicContact SD-CG 3.93Å; M105-L145 HydrophobicContact CE-CD2 4.49Å; M105-L145 HydrophobicContact SD-CD2 3.76Å; M105-I150 HydrophobicContact CG-CD1 4.3Å; M105-I150 HydrophobicContact CG-CG1 4.19Å; M105-I150 HydrophobicContact SD-CB 4.41Å; M105-I150 HydrophobicContact SD-CG1 4.14Å; M105-I150 HydrophobicContact SD-CG2 3.77Å; M105-L463 HydrophobicContact CB-CD1 4.32Å; M105-L463 HydrophobicContact CE-CD2 3.64Å
106	K	98.8	Very high	98.9	Very high	94 Å²	94	34.9 Å²	34.9	41%	0.409	17%	0.168	S	C	.	.	H	α-helix	trans	-65.5	-44.7	173.8	-175.8	-178.4	-177.2	62.2	0	111.7	V102 L104 L108 N109 K148 I150	V102-K106 PolarHBondContact O-N 3.39Å; L104-K106 PolarHBondContact O-N 3.44Å; K106-L108 PolarHBondContact O-N 3.5Å; K106-N109 PolarHBondContact O-N 2.92Å; K106-K148 HydrophobicContact CD-CB 4.16Å; K106-K148 WeakPolarHBondContact CD-O 3.32Å; K106-K148 WeakPolarHBondContact CE-O 3.47Å; K106-K148 PolarHBondContact NZ-O 2.82Å; K106-I150 HydrophobicContact CB-CD1 4.26Å
107	S	98.8	Very high	98.9	Very high	66 Å²	66	29.7 Å²	29.7	46%	0.462	14%	0.144	S	C	.	.	H	α-helix	trans	-67.7	-19.1	179.6	75.8	0	0	0	0	112.9	N103 L104 N109 R499	N103-S107 PolarHBondContact O-N 2.89Å; L104-S107 PolarHBondContact O-N 2.99Å; L104-S107 VanDerWaalsContact O-N 3.07Å; L104-S107 PolarHBondContact O-OG 2.9Å; S107-N109 VanDerWaalsContact C-N 3.3Å; S107-R499 WeakPolarHBondContact O-CD 3.46Å; S107-R499 WeakPolarHBondContact O-CG 3.16Å
108	L	98.9	Very high	98.9	Very high	3 Å²	3	26.2 Å²	26.2	2%	0.016	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.4	10.4	171.9	-59.6	176.1	0	0	0	113.5	L104 M105 K106 F110 I479 V480 A495 R499	L104-L108 HydrophobicContact CG-CD1 4.36Å; L104-L108 VanDerWaalsContact O-CG 3.27Å; L104-L108 WeakPolarHBondContact O-CG 3.29Å; L104-L108 PolarHBondContact O-N 2.89Å; M105-L108 PolarHBondContact O-N 3.41Å; K106-L108 PolarHBondContact O-N 3.5Å; L108-F110 VanDerWaalsContact C-N 3.29Å; L108-F110 HydrophobicContact CB-CD2 3.71Å; L108-F110 HydrophobicContact CB-CE2 3.7Å; L108-F110 HydrophobicContact CD1-CE2 4.17Å; L108-F110 PolarHBondContact O-N 3.45Å; L108-I479 HydrophobicContact CD1-CD1 4.34Å; L108-V480 HydrophobicContact CD1-CG2 4.36Å; L108-A495 HydrophobicContact CD1-CB 3.81Å; L108-A495 HydrophobicContact CD2-CB 3.97Å; L108-R499 HydrophobicContact CD2-CB 4.05Å; L108-R499 WeakPolarHBondContact O-CA 3.25Å
109	N	98.9	Very high	98.9	Very high	46 Å²	46	24.8 Å²	24.8	25%	0.246	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.7	24.5	176.4	-60.5	-43.7	0	0	0	115.7	R40 M105 K106 S107 R499 L502	R40-N109 PolarHBondContact NH2-O 2.94Å; M105-N109 PolarHBondContact O-N 2.91Å; K106-N109 PolarHBondContact O-N 2.92Å; S107-N109 VanDerWaalsContact C-N 3.3Å; N109-R499 PolarHBondContact ND2-O 3.06Å; N109-L502 HydrophobicContact CB-CB 3.88Å; N109-L502 VanDerWaalsContact CB-O 3.27Å; N109-L502 WeakPolarHBondContact CB-O 3.32Å
110	F	98.9	Very high	98.9	Very high	7 Å²	7	19.8 Å²	19.8	3%	0.031	10%	0.104	C	C	.	.			trans	-74	152.7	171.9	-70.3	-75.6	0	0	0	112.1	F49 G50 T51 M105 L108 I150 I479 F498 L502	F49-F110 HydrophobicContact CB-CD1 4.36Å; G50-F110 WeakPolarHBondContact O-CE1 3.06Å; T51-F110 HydrophobicContact CG2-CD1 4.08Å; T51-F110 HydrophobicContact CG2-CD2 3.8Å; T51-F110 HydrophobicContact CG2-CE1 3.75Å; T51-F110 HydrophobicContact CG2-CE2 3.46Å; T51-F110 VanDerWaalsContact CG2-CE2 3.46Å; T51-F110 HydrophobicContact CG2-CG 4.11Å; T51-F110 HydrophobicContact CG2-CZ 3.43Å; T51-F110 VanDerWaalsContact CG2-CZ 3.43Å; M105-F110 HydrophobicContact CB-CD2 4.41Å; M105-F110 PolarHBondContact O-N 2.75Å; L108-F110 VanDerWaalsContact C-N 3.29Å; L108-F110 HydrophobicContact CB-CD2 3.71Å; L108-F110 HydrophobicContact CB-CE2 3.7Å; L108-F110 HydrophobicContact CD1-CE2 4.17Å; L108-F110 PolarHBondContact O-N 3.45Å; F110-I150 WeakPolarHBondContact O-CD1 3.18Å; F110-I479 HydrophobicContact CE2-CD1 3.7Å; F110-I479 HydrophobicContact CZ-CD1 3.7Å; F110-F498 HydrophobicContact CE1-CB 4.43Å; F110-F498 HydrophobicContact CE1-CD1 4.07Å; F110-F498 HydrophobicContact CE1-CG 4.18Å; F110-F498 HydrophobicContact CE2-CB 4.25Å; F110-F498 HydrophobicContact CZ-CB 3.71Å; F110-F498 HydrophobicContact CZ-CD1 4.04Å; F110-F498 AromaticContact CZ-CD2 3.97Å; F110-F498 HydrophobicContact CZ-CD2 3.97Å; F110-F498 AromaticContact CZ-CG 3.66Å; F110-F498 HydrophobicContact CZ-CG 3.66Å; F110-L502 HydrophobicContact CD1-CD1 3.66Å; F110-L502 HydrophobicContact CE1-CD1 3.64Å; F110-L502 HydrophobicContact CG-CD1 4.33Å; F110-L502 HydrophobicContact CZ-CD1 4.28Å
111	D	98.9	Very high	98.9	Very high	30 Å²	30	16.6 Å²	16.6	16%	0.16	9%	0.088	C	C	.	.			trans	-98.5	-26.6	-179.4	-50.3	-51.9	0	0	0	112.9	R40 V48 F49 I150 T151 H504	R40-D111 IonicContact CZ-OD1 2.76Å; R40-D111 IonicContact CZ-OD2 2.75Å; R40-D111 IonicContact NH1-OD1 3.87Å; R40-D111 PolarHBondContact NH1-OD1 2.86Å; R40-D111 IonicContact NH1-OD2 2.93Å; R40-D111 PolarHBondContact NH1-OD2 3.08Å; R40-D111 IonicContact NH2-OD1 3.49Å; R40-D111 PolarHBondContact NH2-OD1 3.38Å; R40-D111 IonicContact NH2-OD2 3.77Å; R40-D111 PolarHBondContact NH2-OD2 2.89Å; V48-D111 HydrophobicContact CG1-CB 4.37Å; F49-D111 PolarHBondContact N-OD2 3.22Å; F49-D111 WeakPolarHBondContact O-CB 3.33Å; F49-D111 PolarHBondContact O-N 2.85Å; D111-I150 WeakPolarHBondContact O-CA 3.37Å; D111-T151 PolarHBondContact O-N 2.99Å; D111-T151 PolarHBondContact O-OG1 3Å; D111-H504 IonicContact OD1-CE1 2.97Å; D111-H504 PolarHBondContact OD1-CE1 3.4Å; D111-H504 IonicContact OD1-NE2 3.18Å; D111-H504 PolarHBondContact OD1-NE2 3.35Å
112	A	98.9	Very high	98.9	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	157.2	-169.1	0	0	0	0	0	112.1	V48 F49 G50 T51 T151 Y153 F459	V48-A112 HydrophobicContact CG1-CB 3.46Å; V48-A112 VanDerWaalsContact CG1-CB 3.46Å; F49-A112 PolarHBondContact O-N 3.39Å; G50-A112 WeakPolarHBondContact CA-O 3.42Å; T51-A112 PolarHBondContact N-O 2.93Å; A112-T151 VanDerWaalsContact CA-O 3.24Å; A112-T151 WeakPolarHBondContact CA-O 3.18Å; A112-T151 WeakPolarHBondContact CB-O 3.29Å; A112-Y153 HydrophobicContact CB-CD2 3.9Å; A112-Y153 HydrophobicContact CB-CE2 3.97Å; A112-F459 HydrophobicContact CB-CE1 3.63Å; A112-F459 HydrophobicContact CB-CZ 3.67Å
113	Y	99	Very high	98.9	Very high	1 Å²	1	17.3 Å²	17.3	0%	0.004	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	121.2	173.7	-178.4	-136.9	0	0	0	109.6	T51 T53 Q94 M105 F115 L145 T151 Y153 L463	T51-Y113 WeakPolarHBondContact O-CD2 3.26Å; T53-Y113 HydrophobicContact CG2-CE2 4.02Å; T53-Y113 WeakPolarHBondContact CG2-OH 3.44Å; T53-Y113 PolarHBondContact OG1-OH 3.43Å; Q94-Y113 PolarHBondContact NE2-OH 3.14Å; Q94-Y113 PolarHBondContact OE1-OH 2.88Å; M105-Y113 HydrophobicContact CE-CD1 3.81Å; M105-Y113 HydrophobicContact CE-CD2 3.69Å; M105-Y113 HydrophobicContact CE-CE1 4.05Å; M105-Y113 HydrophobicContact CE-CE2 4Å; M105-Y113 HydrophobicContact CE-CG 3.6Å; M105-Y113 HydrophobicContact SD-CD1 4.37Å; M105-Y113 HydrophobicContact SD-CD2 4.37Å; M105-Y113 HydrophobicContact SD-CG 3.93Å; Y113-F115 HydrophobicContact CD1-CB 4.14Å; Y113-F115 AromaticContact CD1-CD1 3.68Å; Y113-F115 HydrophobicContact CD1-CD1 3.68Å; Y113-F115 HydrophobicContact CD1-CG 4.24Å; Y113-F115 HydrophobicContact CE1-CB 3.69Å; Y113-F115 AromaticContact CE1-CD1 3.98Å; Y113-F115 HydrophobicContact CE1-CD1 3.98Å; Y113-F115 HydrophobicContact CE1-CG 4.08Å; Y113-F115 HydrophobicContact CG-CD1 4.46Å; Y113-L145 HydrophobicContact CD1-CD1 4.02Å; Y113-L145 HydrophobicContact CD1-CD2 3.85Å; Y113-L145 HydrophobicContact CG-CD2 4.27Å; Y113-T151 PolarHBondContact N-O 2.87Å; Y113-Y153 PolarHBondContact O-N 2.74Å; Y113-L463 HydrophobicContact CE2-CD2 4.21Å
114	R	99	Very high	98.9	Very high	1 Å²	1	14.8 Å²	14.8	0%	0.004	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	118.2	171.7	179.7	177.3	168.7	-103.4	-6.4	109.3	T51 A52 T53 Y153 N155 N203 T413 E414 F459	T51-R114 PolarHBondContact O-N 3.45Å; A52-R114 CarbonylContact C-O 3.47Å; A52-R114 VanDerWaalsContact CA-O 3.24Å; A52-R114 WeakPolarHBondContact CA-O 3.24Å; A52-R114 HydrophobicContact CB-CB 4Å; A52-R114 HydrophobicContact CB-CG 4.38Å; T53-R114 PolarHBondContact N-O 3.43Å; R114-Y153 VanDerWaalsContact CA-O 3.22Å; R114-Y153 WeakPolarHBondContact CA-O 3.35Å; R114-N155 PolarHBondContact NE-OD1 2.87Å; R114-N155 PolarHBondContact NH2-OD1 3.22Å; R114-N203 PolarHBondContact NH2-OD1 3.34Å; R114-T413 PolarHBondContact NH1-O 3.39Å; R114-E414 IonicContact CZ-OE1 3.16Å; R114-E414 IonicContact NH1-OE1 3.57Å; R114-E414 PolarHBondContact NH1-OE1 3Å; R114-E414 IonicContact NH2-OE1 2.71Å; R114-F459 HydrophobicContact CB-CD1 3.58Å; R114-F459 HydrophobicContact CB-CE1 3.8Å; R114-F459 HydrophobicContact CB-CG 4.28Å
115	F	99	Very high	98.9	Very high	4 Å²	4	17.7 Å²	17.7	2%	0.018	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	166.4	174.9	70.1	-84.2	0	0	0	109.9	Y113 I117 Y138 L141 I142 L145 P152 Y153 V154 N155	Y113-F115 HydrophobicContact CD1-CB 4.14Å; Y113-F115 AromaticContact CD1-CD1 3.68Å; Y113-F115 HydrophobicContact CD1-CD1 3.68Å; Y113-F115 HydrophobicContact CD1-CG 4.24Å; Y113-F115 HydrophobicContact CE1-CB 3.69Å; Y113-F115 AromaticContact CE1-CD1 3.98Å; Y113-F115 HydrophobicContact CE1-CD1 3.98Å; Y113-F115 HydrophobicContact CE1-CG 4.08Å; Y113-F115 HydrophobicContact CG-CD1 4.46Å; F115-I117 HydrophobicContact CE2-CG1 4.43Å; F115-Y138 HydrophobicContact CE2-CD1 4.08Å; F115-L141 HydrophobicContact CD1-CD2 4.4Å; F115-L141 HydrophobicContact CD2-CD2 3.77Å; F115-L141 HydrophobicContact CE1-CD2 4.28Å; F115-L141 HydrophobicContact CE2-CD2 3.65Å; F115-L141 HydrophobicContact CG-CD2 4.16Å; F115-L141 HydrophobicContact CZ-CD2 3.91Å; F115-L141 HydrophobicContact CZ-CG 4.31Å; F115-I142 HydrophobicContact CZ-CD1 4.48Å; F115-I142 HydrophobicContact CZ-CG1 3.89Å; F115-L145 HydrophobicContact CD1-CD1 4.2Å; F115-L145 HydrophobicContact CE1-CD1 3.65Å; F115-L145 HydrophobicContact CZ-CD1 4.44Å; F115-P152 HydrophobicContact CE1-CB 3.97Å; F115-Y153 PolarHBondContact N-O 3.29Å; F115-Y153 VanDerWaalsContact N-O 3.07Å; F115-V154 HydrophobicContact CD1-CG2 4.5Å; F115-V154 HydrophobicContact CE1-CG2 3.73Å; F115-V154 HydrophobicContact CE2-CG1 4.35Å; F115-V154 HydrophobicContact CE2-CG2 4.26Å; F115-V154 HydrophobicContact CZ-CG1 4.47Å; F115-V154 HydrophobicContact CZ-CG2 3.58Å; F115-V154 WeakPolarHBondContact O-CA 3.09Å; F115-N155 PolarHBondContact O-N 3Å
116	S	99	Very high	98.9	Very high	1 Å²	1	17.8 Å²	17.8	1%	0.007	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	152.1	173.9	70.9	0	0	0	0	112.7	A55 N155	A55-S116 WeakPolarHBondContact CB-OG 3.25Å; A55-S116 PolarHBondContact N-OG 2.88Å; S116-N155 CarbonylContact C-O 3.49Å; S116-N155 WeakPolarHBondContact CA-O 3.32Å; S116-N155 WeakPolarHBondContact CB-O 3.38Å
117	I	99	Very high	98.9	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.09	C	C	.	.			trans	-89	128.7	166.5	-67.1	173.8	0	0	0	107.4	F115 W119 I122 Y138 V154 N155 Y184 F192 W199	F115-I117 HydrophobicContact CE2-CG1 4.43Å; I117-W119 PolarHBondContact O-N 2.84Å; I117-I122 HydrophobicContact CG2-CD1 4.02Å; I117-I122 HydrophobicContact CG2-CG1 3.53Å; I117-Y138 HydrophobicContact CB-CE1 4.26Å; I117-Y138 HydrophobicContact CB-CE2 4.43Å; I117-Y138 HydrophobicContact CG1-CD1 3.87Å; I117-Y138 HydrophobicContact CG1-CD2 4.45Å; I117-Y138 HydrophobicContact CG1-CE1 4.04Å; I117-Y138 HydrophobicContact CG1-CG 4.1Å; I117-Y138 HydrophobicContact CG2-CD2 4Å; I117-Y138 HydrophobicContact CG2-CE1 4.39Å; I117-Y138 HydrophobicContact CG2-CE2 3.68Å; I117-Y138 HydrophobicContact CG2-CG 4.48Å; I117-V154 HydrophobicContact CD1-CG1 3.67Å; I117-V154 HydrophobicContact CG1-CG1 3.72Å; I117-N155 PolarHBondContact N-O 3.01Å; I117-Y184 HydrophobicContact CG2-CE2 4.43Å; I117-Y184 VanDerWaalsContact CG2-OH 3.24Å; I117-Y184 WeakPolarHBondContact CG2-OH 3.32Å; I117-Y184 PolarHBondContact O-OH 2.95Å; I117-F192 HydrophobicContact CD1-CD2 3.86Å; I117-F192 HydrophobicContact CD1-CE2 3.83Å; I117-W199 HydrophobicContact CD1-CZ3 4.34Å
118	S	99	Very high	98.8	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	10%	0.1	C	C	.	.			trans	-76.3	115.2	172.5	-167.1	0	0	0	0	110.2	R67 S120 R121 I122 Y138 D160	R67-S118 PolarHBondContact NE-OG 2.87Å; S118-S120 VanDerWaalsContact C-N 3.27Å; S118-S120 PolarHBondContact O-N 2.81Å; S118-R121 WeakPolarHBondContact O-CA 3.25Å; S118-R121 WeakPolarHBondContact O-CB 3.35Å; S118-R121 PolarHBondContact O-N 3.26Å; S118-I122 PolarHBondContact O-N 3.34Å; S118-Y138 WeakPolarHBondContact CB-OH 3.43Å; S118-Y138 PolarHBondContact N-OH 3.06Å; S118-D160 WeakPolarHBondContact CA-OD2 3.43Å; S118-D160 WeakPolarHBondContact CB-OD2 3.32Å; S118-D160 PolarHBondContact OG-OD2 2.97Å
119	W	98.9	Very high	98.8	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-55.3	-46.8	-178.6	-173.3	-7.8	0	0	0	110.4	I117 R121 I122 F123 G126 Y157 L161 P162 L165 W172 M177 L180 F181 Y184	I117-W119 PolarHBondContact O-N 2.84Å; W119-R121 PolarHBondContact O-N 3.3Å; W119-R121 VanDerWaalsContact O-N 3.17Å; W119-I122 PolarHBondContact O-N 3.12Å; W119-F123 PolarHBondContact O-N 3.24Å; W119-G126 WeakPolarHBondContact CZ2-O 3.39Å; W119-G126 PolarHBondContact NE1-O 3Å; W119-Y157 HydrophobicContact CE3-CD2 4.45Å; W119-L161 HydrophobicContact CE3-CD1 4.23Å; W119-L161 HydrophobicContact CZ3-CD1 3.9Å; W119-P162 HydrophobicContact CB-CG 3.85Å; W119-P162 HydrophobicContact CD2-CG 3.71Å; W119-P162 HydrophobicContact CE3-CG 4.25Å; W119-P162 HydrophobicContact CG-CG 3.5Å; W119-P162 VanDerWaalsContact CG-CG 3.5Å; W119-L165 HydrophobicContact CH2-CD1 3.52Å; W119-L165 HydrophobicContact CZ2-CD1 3.46Å; W119-L165 VanDerWaalsContact CZ2-CD1 3.46Å; W119-L165 HydrophobicContact CZ3-CD1 4.07Å; W119-W172 HydrophobicContact CZ3-CH2 4.45Å; W119-M177 HydrophobicContact CH2-CE 3.63Å; W119-M177 HydrophobicContact CZ3-CE 3.61Å; W119-L180 HydrophobicContact CH2-CB 4.14Å; W119-L180 HydrophobicContact CZ2-CB 4.29Å; W119-L180 WeakPolarHBondContact CZ2-O 3.43Å; W119-F181 HydrophobicContact CE3-CD2 4.33Å; W119-F181 HydrophobicContact CH2-CB 4.1Å; W119-F181 HydrophobicContact CH2-CD2 4.21Å; W119-F181 HydrophobicContact CZ3-CB 4.42Å; W119-F181 AromaticContact CZ3-CD2 3.82Å; W119-F181 HydrophobicContact CZ3-CD2 3.82Å; W119-Y184 HydrophobicContact CB-CD1 4.37Å; W119-Y184 HydrophobicContact CB-CE1 3.9Å; W119-Y184 HydrophobicContact CB-CE2 4.26Å; W119-Y184 AromaticContact CD1-CD1 4Å; W119-Y184 AromaticContact CD1-CD2 3.56Å; W119-Y184 AromaticContact CD1-CE2 3.9Å; W119-Y184 AromaticContact CD1-CG 3.62Å; W119-Y184 AromaticContact CD2-CD1 3.59Å; W119-Y184 HydrophobicContact CD2-CD1 3.59Å; W119-Y184 AromaticContact CD2-CE1 3.99Å; W119-Y184 HydrophobicContact CD2-CE1 3.99Å; W119-Y184 AromaticContact CD2-CG 3.89Å; W119-Y184 HydrophobicContact CD2-CG 3.89Å; W119-Y184 AromaticContact CE2-CD1 3.78Å; W119-Y184 AromaticContact CE2-CG 3.65Å; W119-Y184 HydrophobicContact CE3-CD1 4.01Å; W119-Y184 HydrophobicContact CE3-CE1 4.34Å; W119-Y184 AromaticContact CG-CD1 3.77Å; W119-Y184 HydrophobicContact CG-CD1 3.77Å; W119-Y184 HydrophobicContact CG-CD2 4.05Å; W119-Y184 AromaticContact CG-CE1 3.81Å; W119-Y184 HydrophobicContact CG-CE1 3.81Å; W119-Y184 HydrophobicContact CG-CE2 4.1Å; W119-Y184 AromaticContact CG-CG 3.89Å; W119-Y184 HydrophobicContact CG-CG 3.89Å; W119-Y184 AromaticContact CG-CZ 3.98Å; W119-Y184 HydrophobicContact CZ2-CD1 4.33Å; W119-Y184 HydrophobicContact CZ2-CG 4.25Å; W119-Y184 AromaticContact NE1-CD2 3.82Å; W119-Y184 AromaticContact NE1-CG 3.52Å
120	S	98.9	Very high	98.8	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-69.6	-12.5	179.9	71.9	0	0	0	0	114.3	R67 G68 S118 F123 P124	R67-S120 PolarHBondContact NE-OG 2.76Å; R67-S120 PolarHBondContact NH2-OG 3.48Å; G68-S120 PolarHBondContact N-O 3.12Å; G68-S120 WeakPolarHBondContact O-CB 3.49Å; G68-S120 PolarHBondContact O-OG 2.92Å; S118-S120 VanDerWaalsContact C-N 3.27Å; S118-S120 PolarHBondContact O-N 2.81Å; S120-F123 WeakPolarHBondContact CA-O 3.32Å; S120-P124 VanDerWaalsContact O-CA 3.29Å; S120-P124 WeakPolarHBondContact O-CA 3.4Å
121	R	98.9	Very high	98.8	Very high	3 Å²	3	22.8 Å²	22.8	1%	0.011	13%	0.125	C	C	.	.	H	α-helix	trans	-79.8	-31.2	169.8	-166	174.7	-58.4	-78.5	6.8	112.1	E59 G60 M61 R67 S118 W119 N131 Y138	E59-R121 IonicContact OE2-CZ 3.86Å; E59-R121 IonicContact OE2-NE 3.72Å; E59-R121 PolarHBondContact OE2-NE 3.41Å; E59-R121 IonicContact OE2-NH2 3.62Å; E59-R121 PolarHBondContact OE2-NH2 3.49Å; G60-R121 PolarHBondContact O-NH2 2.99Å; M61-R121 PolarHBondContact O-NH1 3.34Å; M61-R121 PolarHBondContact O-NH2 3.48Å; R67-R121 HydrophobicContact CB-CB 4.2Å; R67-R121 HydrophobicContact CB-CG 4.07Å; R67-R121 HydrophobicContact CG-CB 3.98Å; R67-R121 HydrophobicContact CG-CG 4.38Å; S118-R121 WeakPolarHBondContact O-CA 3.25Å; S118-R121 WeakPolarHBondContact O-CB 3.35Å; S118-R121 PolarHBondContact O-N 3.26Å; W119-R121 PolarHBondContact O-N 3.3Å; W119-R121 VanDerWaalsContact O-N 3.17Å; R121-N131 WeakPolarHBondContact O-CB 3.47Å; R121-N131 PolarHBondContact O-ND2 2.8Å; R121-Y138 HydrophobicContact CB-CE2 4.24Å; R121-Y138 HydrophobicContact CG-CE2 4.25Å
122	I	98.9	Very high	98.8	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-82.9	-50.3	175.3	-56.8	-59.1	0	0	0	111	I117 S118 W119 V130 N131 V135 Y138 Y184 F187 F192	I117-I122 HydrophobicContact CG2-CD1 4.02Å; I117-I122 HydrophobicContact CG2-CG1 3.53Å; S118-I122 PolarHBondContact O-N 3.34Å; W119-I122 PolarHBondContact O-N 3.12Å; I122-V130 WeakPolarHBondContact O-CA 3.34Å; I122-N131 PolarHBondContact O-N 3.36Å; I122-V135 HydrophobicContact CD1-CG2 4.11Å; I122-V135 HydrophobicContact CG2-CG2 4.48Å; I122-Y138 HydrophobicContact CD1-CD2 3.51Å; I122-Y138 HydrophobicContact CD1-CE2 3.73Å; I122-Y138 HydrophobicContact CG1-CD2 4.46Å; I122-Y138 HydrophobicContact CG1-CE2 4.3Å; I122-Y184 HydrophobicContact CB-CE2 4.32Å; I122-Y184 HydrophobicContact CG1-CE2 4.25Å; I122-F187 HydrophobicContact CG2-CD1 3.64Å; I122-F187 HydrophobicContact CG2-CE1 3.52Å; I122-F187 HydrophobicContact CG2-CZ 4.44Å; I122-F192 HydrophobicContact CD1-CZ 4.39Å
123	F	98.9	Very high	98.8	Very high	17 Å²	17	32.2 Å²	32.2	8%	0.075	17%	0.168	C	C	.	.			trans	-121	96.6	178.8	-66.3	-80.6	0	0	0	108.1	W119 S120 D125 G126 G128 V130 Y184 F187	W119-F123 PolarHBondContact O-N 3.24Å; S120-F123 WeakPolarHBondContact CA-O 3.32Å; F123-D125 PolarHBondContact O-N 2.81Å; F123-D125 VanDerWaalsContact O-N 3.11Å; F123-G126 WeakPolarHBondContact O-CA 3.3Å; F123-G126 PolarHBondContact O-N 2.97Å; F123-G128 WeakPolarHBondContact CE1-O 3.43Å; F123-V130 HydrophobicContact CD1-CG2 4.25Å; F123-V130 HydrophobicContact CE1-CB 4.48Å; F123-V130 HydrophobicContact CE1-CG2 3.47Å; F123-V130 VanDerWaalsContact CE1-CG2 3.47Å; F123-V130 HydrophobicContact CZ-CG2 3.85Å; F123-Y184 AromaticContact CD2-CD2 3.84Å; F123-Y184 HydrophobicContact CD2-CD2 3.84Å; F123-Y184 AromaticContact CE2-CD2 3.92Å; F123-Y184 HydrophobicContact CE2-CD2 3.92Å; F123-F187 HydrophobicContact CE2-CB 3.92Å; F123-F187 AromaticContact CE2-CD1 3.99Å; F123-F187 HydrophobicContact CE2-CD1 3.99Å; F123-F187 AromaticContact CE2-CG 3.91Å; F123-F187 HydrophobicContact CE2-CG 3.91Å; F123-F187 HydrophobicContact CZ-CB 3.83Å; F123-F187 HydrophobicContact CZ-CD1 4.14Å; F123-F187 AromaticContact CZ-CD2 3.97Å; F123-F187 HydrophobicContact CZ-CD2 3.97Å; F123-F187 AromaticContact CZ-CG 3.69Å; F123-F187 HydrophobicContact CZ-CG 3.69Å
124	P	98.9	Very high	98.8	Very high	10 Å²	10	32.1 Å²	32.1	7%	0.065	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-34.4	-176.8	-31.2	39.9	0	0	0	114.3	G66 S120 R129 N131	G66-P124 WeakPolarHBondContact O-CG 3.29Å; S120-P124 VanDerWaalsContact O-CA 3.29Å; S120-P124 WeakPolarHBondContact O-CA 3.4Å; P124-R129 WeakPolarHBondContact CD-O 3.26Å; P124-N131 HydrophobicContact CG-CB 3.91Å
125	D	98.8	Very high	98.8	Very high	89 Å²	89	32.4 Å²	32.4	48%	0.476	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.3	6.3	176.9	-55	-61.6	0	0	0	113	F123 E127 A164	F123-D125 PolarHBondContact O-N 2.81Å; F123-D125 VanDerWaalsContact O-N 3.11Å; D125-E127 PolarHBondContact O-N 3.47Å; D125-A164 HydrophobicContact CB-CB 4.26Å; D125-A164 VanDerWaalsContact O-CB 3.32Å; D125-A164 WeakPolarHBondContact O-CB 3.21Å
126	G	98.7	Very high	98.8	Very high	2 Å²	2	34.2 Å²	34.2	2%	0.021	19%	0.185	C	C	.	.	S	Bend	trans	75.7	-16.1	-174.8	0	0	0	0	0	115.5	W119 F123	W119-G126 WeakPolarHBondContact CZ2-O 3.39Å; W119-G126 PolarHBondContact NE1-O 3Å; F123-G126 WeakPolarHBondContact O-CA 3.3Å; F123-G126 PolarHBondContact O-N 2.97Å
127	E	98.5	Very high	98.8	Very high	63 Å²	63	34.7 Å²	34.7	29%	0.294	19%	0.187	S	C	.	.	S	Bend	trans	-143.7	168.3	175.2	61.1	-176.5	157.4	0	0	110.7	D125 R129 L165 K168 Y169 L180	D125-E127 PolarHBondContact O-N 3.47Å; E127-R129 PolarHBondContact O-N 3.07Å; E127-L165 HydrophobicContact CG-CD2 4.42Å; E127-K168 IonicContact OE1-NZ 3.63Å; E127-K168 PolarHBondContact OE1-NZ 2.91Å; E127-Y169 PolarHBondContact OE1-OH 3.27Å; E127-L180 HydrophobicContact CB-CD2 4.27Å
128	G	98	Very high	98.8	Very high	65 Å²	65	34.7 Å²	34.7	67%	0.67	19%	0.187	S	C	*	.	S	Bend	trans	75.7	-109.2	174.2	0	0	0	0	0	113.9	F123 V130	F123-G128 WeakPolarHBondContact CE1-O 3.43Å; G128-V130 PolarHBondContact O-N 3.2Å
129	R	98.5	Very high	98.8	Very high	149 Å²	149	36.2 Å²	36.2	56%	0.562	20%	0.195	S	C	*	.			trans	-70.5	124.1	-166.7	-172.6	-178.5	66.5	88.8	-0.4	111.6	P124 E127	P124-R129 WeakPolarHBondContact CD-O 3.26Å; E127-R129 PolarHBondContact O-N 3.07Å
130	V	98.9	Very high	98.8	Very high	33 Å²	33	40.1 Å²	40.1	20%	0.2	22%	0.216	C	C	.	.			trans	-78	131.8	171.8	179.4	0	0	0	0	110.2	I122 F123 G128 V135 F187	I122-V130 WeakPolarHBondContact O-CA 3.34Å; F123-V130 HydrophobicContact CD1-CG2 4.25Å; F123-V130 HydrophobicContact CE1-CB 4.48Å; F123-V130 HydrophobicContact CE1-CG2 3.47Å; F123-V130 VanDerWaalsContact CE1-CG2 3.47Å; F123-V130 HydrophobicContact CZ-CG2 3.85Å; G128-V130 PolarHBondContact O-N 3.2Å; V130-V135 HydrophobicContact CG1-CG2 3.63Å; V130-F187 HydrophobicContact CB-CE2 4.43Å; V130-F187 HydrophobicContact CB-CZ 4.46Å; V130-F187 HydrophobicContact CG1-CE1 4.27Å; V130-F187 HydrophobicContact CG1-CE2 3.99Å; V130-F187 HydrophobicContact CG1-CZ 3.56Å; V130-F187 HydrophobicContact CG2-CD2 4.04Å; V130-F187 HydrophobicContact CG2-CE2 3.56Å; V130-F187 HydrophobicContact CG2-CZ 3.98Å
131	N	98.9	Very high	98.8	Very high	11 Å²	11	40.2 Å²	40.2	6%	0.059	22%	0.216	C	C	.	.			trans	-86	103.2	167	175	32.6	0	0	0	110.4	G65 G66 R121 I122 P124 E133 G134 V135	G65-N131 PolarHBondContact O-ND2 3.44Å; G66-N131 PolarHBondContact O-ND2 3.18Å; R121-N131 WeakPolarHBondContact O-CB 3.47Å; R121-N131 PolarHBondContact O-ND2 2.8Å; I122-N131 PolarHBondContact O-N 3.36Å; P124-N131 HydrophobicContact CG-CB 3.91Å; N131-E133 VanDerWaalsContact C-N 3.27Å; N131-E133 PolarHBondContact O-N 3.48Å; N131-E133 PolarHBondContact OD1-N 2.91Å; N131-G134 PolarHBondContact ND2-N 3.26Å; N131-G134 VanDerWaalsContact ND2-N 3.18Å; N131-G134 PolarHBondContact O-N 2.9Å; N131-V135 WeakPolarHBondContact O-CG2 3.44Å; N131-V135 PolarHBondContact O-N 2.85Å; N131-V135 VanDerWaalsContact O-N 3.12Å
132	Q	98.8	Very high	98.8	Very high	126 Å²	126	40 Å²	40	59%	0.589	22%	0.216	S	C	*	.	H	α-helix	trans	-65.8	-28.1	-176.4	-63	-58.8	-30.8	0	0	113.3	V135 A136	Q132-V135 PolarHBondContact O-N 3.01Å; Q132-A136 WeakPolarHBondContact O-CB 3.36Å; Q132-A136 PolarHBondContact O-N 3.17Å
133	E	98.8	Very high	98.8	Very high	101 Å²	101	43.4 Å²	43.4	47%	0.472	23%	0.234	S	C	.	.	H	α-helix	trans	-68.3	-41.2	175.7	-171.1	176.5	178.1	0	0	111.4	G65 N131 V135 A136 Y137	G65-E133 WeakPolarHBondContact CA-OE1 3.46Å; G65-E133 WeakPolarHBondContact CA-OE2 3.31Å; N131-E133 VanDerWaalsContact C-N 3.27Å; N131-E133 PolarHBondContact O-N 3.48Å; N131-E133 PolarHBondContact OD1-N 2.91Å; E133-V135 VanDerWaalsContact C-N 3.34Å; E133-V135 PolarHBondContact O-N 3.32Å; E133-A136 WeakPolarHBondContact O-CB 3.27Å; E133-A136 PolarHBondContact O-N 2.95Å; E133-Y137 PolarHBondContact O-N 2.97Å
134	G	98.8	Very high	98.8	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-59.6	-43.6	170.6	0	0	0	0	0	112.4	N131 A136 Y137 Y138	N131-G134 PolarHBondContact ND2-N 3.26Å; N131-G134 VanDerWaalsContact ND2-N 3.18Å; N131-G134 PolarHBondContact O-N 2.9Å; G134-A136 VanDerWaalsContact C-N 3.33Å; G134-A136 PolarHBondContact O-N 3.3Å; G134-Y137 PolarHBondContact O-N 3.45Å; G134-Y138 WeakPolarHBondContact O-CD2 3.15Å; G134-Y138 PolarHBondContact O-N 3.41Å
135	V	98.9	Very high	98.8	Very high	7 Å²	7	43.7 Å²	43.7	4%	0.042	23%	0.233	C	C	.	.	H	α-helix	trans	-61.3	-41.7	174.5	173.7	0	0	0	0	111.7	I122 V130 N131 Q132 E133 N139 F187 T191 F192	I122-V135 HydrophobicContact CD1-CG2 4.11Å; I122-V135 HydrophobicContact CG2-CG2 4.48Å; V130-V135 HydrophobicContact CG1-CG2 3.63Å; N131-V135 WeakPolarHBondContact O-CG2 3.44Å; N131-V135 PolarHBondContact O-N 2.85Å; N131-V135 VanDerWaalsContact O-N 3.12Å; Q132-V135 PolarHBondContact O-N 3.01Å; E133-V135 VanDerWaalsContact C-N 3.34Å; E133-V135 PolarHBondContact O-N 3.32Å; V135-N139 WeakPolarHBondContact CG1-ND2 3.24Å; V135-N139 WeakPolarHBondContact O-CB 3.49Å; V135-N139 PolarHBondContact O-N 3.27Å; V135-N139 PolarHBondContact O-ND2 3.24Å; V135-N139 VanDerWaalsContact O-ND2 3.13Å; V135-F187 HydrophobicContact CG2-CE1 3.79Å; V135-F187 HydrophobicContact CG2-CZ 3.75Å; V135-T191 HydrophobicContact CG1-CG2 3.75Å; V135-F192 HydrophobicContact CG1-CE1 4.31Å; V135-F192 HydrophobicContact CG1-CZ 4.28Å
136	A	98.8	Very high	98.8	Very high	42 Å²	42	42.9 Å²	42.9	35%	0.347	23%	0.228	S	C	.	.	H	α-helix	trans	-63.5	-42	178	0	0	0	0	0	111.8	Q132 E133 G134 N139 N140	Q132-A136 WeakPolarHBondContact O-CB 3.36Å; Q132-A136 PolarHBondContact O-N 3.17Å; E133-A136 WeakPolarHBondContact O-CB 3.27Å; E133-A136 PolarHBondContact O-N 2.95Å; G134-A136 VanDerWaalsContact C-N 3.33Å; G134-A136 PolarHBondContact O-N 3.3Å; A136-N139 WeakPolarHBondContact O-CB 3.12Å; A136-N139 PolarHBondContact O-N 3.38Å; A136-N140 WeakPolarHBondContact O-CB 3.21Å; A136-N140 PolarHBondContact O-N 2.79Å; A136-N140 PolarHBondContact O-ND2 3.08Å
137	Y	98.9	Very high	98.8	Very high	10 Å²	10	49.9 Å²	49.9	4%	0.039	26%	0.261	C	S	.	.	H	α-helix	trans	-55.3	-54.1	175.2	166.7	-110.9	0	0	0	112.1	E59 Y95 Y98 E133 G134 N139 N140 L141	E59-Y137 HydrophobicContact CG-CE1 4.24Å; E59-Y137 WeakPolarHBondContact OE1-CE1 3.23Å; Y95-Y137 HydrophobicContact CD2-CD1 4Å; Y95-Y137 AromaticContact CD2-CD2 3.62Å; Y95-Y137 HydrophobicContact CD2-CD2 3.62Å; Y95-Y137 HydrophobicContact CD2-CE1 4.17Å; Y95-Y137 AromaticContact CD2-CE2 3.85Å; Y95-Y137 HydrophobicContact CD2-CE2 3.85Å; Y95-Y137 AromaticContact CD2-CG 3.72Å; Y95-Y137 HydrophobicContact CD2-CG 3.72Å; Y95-Y137 AromaticContact CE2-CD1 3.97Å; Y95-Y137 HydrophobicContact CE2-CD1 3.97Å; Y95-Y137 AromaticContact CE2-CD2 3.7Å; Y95-Y137 HydrophobicContact CE2-CD2 3.7Å; Y95-Y137 HydrophobicContact CE2-CE2 4.39Å; Y95-Y137 AromaticContact CE2-CG 3.47Å; Y95-Y137 HydrophobicContact CE2-CG 3.47Å; Y95-Y137 VanDerWaalsContact CE2-CG 3.47Å; Y95-Y137 HydrophobicContact CG-CD2 4.2Å; Y95-Y137 HydrophobicContact CG-CE2 4.23Å; Y98-Y137 HydrophobicContact CD1-CE2 4.45Å; E133-Y137 PolarHBondContact O-N 2.97Å; G134-Y137 PolarHBondContact O-N 3.45Å; Y137-N139 PolarHBondContact O-N 2.89Å; Y137-N140 WeakPolarHBondContact O-CB 3.41Å; Y137-N140 PolarHBondContact O-N 3.11Å; Y137-N140 VanDerWaalsContact O-N 3.14Å; Y137-L141 PolarHBondContact O-N 2.84Å
138	Y	98.9	Very high	98.8	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-67.1	-35.9	-179.5	-64.9	-66.3	0	0	0	112.5	E59 F115 I117 S118 R121 I122 G134 N140 L141 I142	E59-Y138 VanDerWaalsContact OE1-CE1 3.25Å; E59-Y138 WeakPolarHBondContact OE1-CE1 3.45Å; E59-Y138 PolarHBondContact OE1-OH 2.96Å; E59-Y138 PolarHBondContact OE2-OH 3.29Å; F115-Y138 HydrophobicContact CE2-CD1 4.08Å; I117-Y138 HydrophobicContact CB-CE1 4.26Å; I117-Y138 HydrophobicContact CB-CE2 4.43Å; I117-Y138 HydrophobicContact CG1-CD1 3.87Å; I117-Y138 HydrophobicContact CG1-CD2 4.45Å; I117-Y138 HydrophobicContact CG1-CE1 4.04Å; I117-Y138 HydrophobicContact CG1-CG 4.1Å; I117-Y138 HydrophobicContact CG2-CD2 4Å; I117-Y138 HydrophobicContact CG2-CE1 4.39Å; I117-Y138 HydrophobicContact CG2-CE2 3.68Å; I117-Y138 HydrophobicContact CG2-CG 4.48Å; S118-Y138 WeakPolarHBondContact CB-OH 3.43Å; S118-Y138 PolarHBondContact N-OH 3.06Å; R121-Y138 HydrophobicContact CB-CE2 4.24Å; R121-Y138 HydrophobicContact CG-CE2 4.25Å; I122-Y138 HydrophobicContact CD1-CD2 3.51Å; I122-Y138 HydrophobicContact CD1-CE2 3.73Å; I122-Y138 HydrophobicContact CG1-CD2 4.46Å; I122-Y138 HydrophobicContact CG1-CE2 4.3Å; G134-Y138 WeakPolarHBondContact O-CD2 3.15Å; G134-Y138 PolarHBondContact O-N 3.41Å; Y138-N140 VanDerWaalsContact C-N 3.32Å; Y138-N140 PolarHBondContact O-N 2.99Å; Y138-L141 PolarHBondContact O-N 3.27Å; Y138-I142 WeakPolarHBondContact O-CB 3.49Å; Y138-I142 WeakPolarHBondContact O-CD1 3.45Å; Y138-I142 WeakPolarHBondContact O-CG1 3.39Å; Y138-I142 PolarHBondContact O-N 3.43Å
139	N	98.9	Very high	98.9	Very high	33 Å²	33	49 Å²	49	18%	0.176	25%	0.253	C	S	.	.	H	α-helix	trans	-57	-46.4	170.7	-89.7	-49.6	0	0	0	111.8	V135 A136 Y137 I142 N143 R195	V135-N139 WeakPolarHBondContact CG1-ND2 3.24Å; V135-N139 WeakPolarHBondContact O-CB 3.49Å; V135-N139 PolarHBondContact O-N 3.27Å; V135-N139 PolarHBondContact O-ND2 3.24Å; V135-N139 VanDerWaalsContact O-ND2 3.13Å; A136-N139 WeakPolarHBondContact O-CB 3.12Å; A136-N139 PolarHBondContact O-N 3.38Å; Y137-N139 PolarHBondContact O-N 2.89Å; N139-I142 PolarHBondContact O-N 3.31Å; N139-N143 VanDerWaalsContact O-CB 3.25Å; N139-N143 WeakPolarHBondContact O-CB 3.42Å; N139-N143 PolarHBondContact O-N 3.36Å; N139-N143 PolarHBondContact O-ND2 3.46Å; N139-R195 VanDerWaalsContact OD1-CZ 3.25Å; N139-R195 PolarHBondContact OD1-NH1 2.95Å; N139-R195 PolarHBondContact OD1-NH2 2.92Å
140	N	98.9	Very high	98.9	Very high	82 Å²	82	42.1 Å²	42.1	44%	0.439	23%	0.227	S	C	.	.	H	α-helix	trans	-66	-42.5	-179.1	-73	-22.9	0	0	0	112.1	A136 Y137 Y138 Y144	A136-N140 WeakPolarHBondContact O-CB 3.21Å; A136-N140 PolarHBondContact O-N 2.79Å; A136-N140 PolarHBondContact O-ND2 3.08Å; Y137-N140 WeakPolarHBondContact O-CB 3.41Å; Y137-N140 PolarHBondContact O-N 3.11Å; Y137-N140 VanDerWaalsContact O-N 3.14Å; Y138-N140 VanDerWaalsContact C-N 3.32Å; Y138-N140 PolarHBondContact O-N 2.99Å; N140-Y144 WeakPolarHBondContact O-CB 3.25Å; N140-Y144 PolarHBondContact O-N 2.93Å
141	L	98.9	Very high	98.9	Very high	1 Å²	1	43 Å²	43	1%	0.005	23%	0.233	C	C	.	.	H	α-helix	trans	-61.1	-52.4	174.2	172.7	57.8	0	0	0	111.3	Y98 V102 F115 Y137 Y138 N143 Y144 L145	Y98-L141 HydrophobicContact CD2-CB 4.24Å; Y98-L141 HydrophobicContact CD2-CD1 3.87Å; Y98-L141 HydrophobicContact CG-CD1 4.36Å; V102-L141 HydrophobicContact CG2-CD1 4.1Å; F115-L141 HydrophobicContact CD1-CD2 4.4Å; F115-L141 HydrophobicContact CD2-CD2 3.77Å; F115-L141 HydrophobicContact CE1-CD2 4.28Å; F115-L141 HydrophobicContact CE2-CD2 3.65Å; F115-L141 HydrophobicContact CG-CD2 4.16Å; F115-L141 HydrophobicContact CZ-CD2 3.91Å; F115-L141 HydrophobicContact CZ-CG 4.31Å; Y137-L141 PolarHBondContact O-N 2.84Å; Y138-L141 PolarHBondContact O-N 3.27Å; L141-N143 VanDerWaalsContact C-N 3.34Å; L141-N143 PolarHBondContact O-N 3.37Å; L141-Y144 PolarHBondContact O-N 3.49Å; L141-L145 HydrophobicContact CD1-CD1 3.86Å; L141-L145 HydrophobicContact CD1-CG 4.04Å; L141-L145 HydrophobicContact CG-CD1 3.93Å; L141-L145 WeakPolarHBondContact O-CG 3.38Å; L141-L145 PolarHBondContact O-N 3.36Å
142	I	98.9	Very high	98.9	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-59.9	-45.3	-179.1	-70	162.5	0	0	0	110.9	F115 Y138 N139 Y144 L145 L146 F192 R195 V196	F115-I142 HydrophobicContact CZ-CD1 4.48Å; F115-I142 HydrophobicContact CZ-CG1 3.89Å; Y138-I142 WeakPolarHBondContact O-CB 3.49Å; Y138-I142 WeakPolarHBondContact O-CD1 3.45Å; Y138-I142 WeakPolarHBondContact O-CG1 3.39Å; Y138-I142 PolarHBondContact O-N 3.43Å; N139-I142 PolarHBondContact O-N 3.31Å; I142-Y144 VanDerWaalsContact C-N 3.34Å; I142-Y144 PolarHBondContact O-N 2.9Å; I142-L145 PolarHBondContact O-N 3.12Å; I142-L146 HydrophobicContact CG2-CD1 4.19Å; I142-L146 WeakPolarHBondContact O-CG 3.35Å; I142-L146 PolarHBondContact O-N 3.33Å; I142-L146 VanDerWaalsContact O-N 3.08Å; I142-F192 HydrophobicContact CD1-CB 3.94Å; I142-F192 HydrophobicContact CD1-CD1 3.81Å; I142-F192 HydrophobicContact CD1-CG 3.94Å; I142-R195 HydrophobicContact CG2-CB 3.93Å; I142-V196 HydrophobicContact CD1-CG2 3.67Å; I142-V196 HydrophobicContact CG1-CG2 4.08Å; I142-V196 HydrophobicContact CG2-CG2 4.03Å
143	N	98.9	Very high	98.9	Very high	71 Å²	71	37.4 Å²	37.4	38%	0.38	21%	0.206	S	C	.	.	H	α-helix	trans	-62.8	-42.5	178.8	-72.8	-14.4	0	0	0	111.5	N139 L141 L146 Q147 R195	N139-N143 VanDerWaalsContact O-CB 3.25Å; N139-N143 WeakPolarHBondContact O-CB 3.42Å; N139-N143 PolarHBondContact O-N 3.36Å; N139-N143 PolarHBondContact O-ND2 3.46Å; L141-N143 VanDerWaalsContact C-N 3.34Å; L141-N143 PolarHBondContact O-N 3.37Å; N143-L146 PolarHBondContact O-N 3.3Å; N143-Q147 VanDerWaalsContact O-CB 3.32Å; N143-Q147 WeakPolarHBondContact O-CB 3.5Å; N143-Q147 PolarHBondContact O-N 2.86Å; N143-R195 WeakPolarHBondContact OD1-CD 3.33Å; N143-R195 PolarHBondContact OD1-NH1 3.34Å
144	Y	98.9	Very high	98.9	Very high	32 Å²	32	32.6 Å²	32.6	13%	0.125	18%	0.183	C	C	.	.	H	α-helix	trans	-70.6	-37.9	-179.7	-164.5	-105.1	0	0	0	112.4	Y98 K99 V102 N103 N140 L141 I142 Q147 K148	Y98-Y144 HydrophobicContact CE2-CD1 4.47Å; Y98-Y144 HydrophobicContact CE2-CG 4.27Å; K99-Y144 VanDerWaalsContact CA-CE1 3.49Å; K99-Y144 HydrophobicContact CB-CD1 4.1Å; K99-Y144 HydrophobicContact CB-CE1 3.64Å; K99-Y144 HydrophobicContact CB-CE2 4.48Å; K99-Y144 HydrophobicContact CD-CD2 4.18Å; K99-Y144 HydrophobicContact CD-CE2 3.97Å; K99-Y144 HydrophobicContact CG-CD1 3.83Å; K99-Y144 HydrophobicContact CG-CD2 4.12Å; K99-Y144 HydrophobicContact CG-CE1 3.81Å; K99-Y144 HydrophobicContact CG-CE2 4.08Å; K99-Y144 HydrophobicContact CG-CG 3.99Å; K99-Y144 WeakPolarHBondContact O-CE1 3.41Å; V102-Y144 HydrophobicContact CB-CD1 3.7Å; V102-Y144 HydrophobicContact CB-CE1 3.83Å; V102-Y144 HydrophobicContact CG1-CD1 3.62Å; V102-Y144 HydrophobicContact CG1-CE1 3.82Å; V102-Y144 HydrophobicContact CG2-CD1 4.2Å; N103-Y144 PolarHBondContact ND2-OH 2.91Å; N103-Y144 PolarHBondContact OD1-OH 2.9Å; N140-Y144 WeakPolarHBondContact O-CB 3.25Å; N140-Y144 PolarHBondContact O-N 2.93Å; L141-Y144 PolarHBondContact O-N 3.49Å; I142-Y144 VanDerWaalsContact C-N 3.34Å; I142-Y144 PolarHBondContact O-N 2.9Å; Y144-Q147 PolarHBondContact O-N 2.78Å; Y144-K148 HydrophobicContact CD1-CG 4.17Å; Y144-K148 HydrophobicContact CE1-CD 4.36Å; Y144-K148 HydrophobicContact CE1-CG 3.84Å; Y144-K148 HydrophobicContact CE2-CD 4.5Å; Y144-K148 HydrophobicContact CE2-CG 4.43Å; Y144-K148 WeakPolarHBondContact O-CB 3.36Å; Y144-K148 WeakPolarHBondContact O-CG 3.38Å; Y144-K148 PolarHBondContact O-N 2.97Å
145	L	98.9	Very high	98.9	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-55.1	-53	171	-76.5	164.5	0	0	0	111	V102 M105 Y113 F115 L141 I142 Q147 K148 G149 I150 P152	V102-L145 HydrophobicContact CB-CD2 4.48Å; V102-L145 HydrophobicContact CG1-CD2 4.04Å; V102-L145 HydrophobicContact CG2-CD2 3.6Å; V102-L145 HydrophobicContact CG2-CG 4.03Å; M105-L145 HydrophobicContact CE-CD2 4.49Å; M105-L145 HydrophobicContact SD-CD2 3.76Å; Y113-L145 HydrophobicContact CD1-CD1 4.02Å; Y113-L145 HydrophobicContact CD1-CD2 3.85Å; Y113-L145 HydrophobicContact CG-CD2 4.27Å; F115-L145 HydrophobicContact CD1-CD1 4.2Å; F115-L145 HydrophobicContact CE1-CD1 3.65Å; F115-L145 HydrophobicContact CZ-CD1 4.44Å; L141-L145 HydrophobicContact CD1-CD1 3.86Å; L141-L145 HydrophobicContact CD1-CG 4.04Å; L141-L145 HydrophobicContact CG-CD1 3.93Å; L141-L145 WeakPolarHBondContact O-CG 3.38Å; L141-L145 PolarHBondContact O-N 3.36Å; I142-L145 PolarHBondContact O-N 3.12Å; L145-Q147 PolarHBondContact O-N 3.08Å; L145-K148 CarbonylContact O-C 3.52Å; L145-K148 PolarHBondContact O-N 2.79Å; L145-K148 VanDerWaalsContact O-N 3.08Å; L145-G149 PolarHBondContact O-N 2.81Å; L145-G149 VanDerWaalsContact O-N 3.08Å; L145-I150 CarbonylContact C-O 3.6Å; L145-I150 HydrophobicContact CB-CB 4.39Å; L145-I150 HydrophobicContact CD2-CB 3.81Å; L145-I150 HydrophobicContact CD2-CG2 3.65Å; L145-I150 PolarHBondContact O-N 3.01Å; L145-P152 HydrophobicContact CD1-CB 4.18Å
146	L	98.9	Very high	98.9	Very high	72 Å²	72	32.3 Å²	32.3	38%	0.377	18%	0.182	S	C	.	.	H	α-helix	trans	-64.1	-41.1	180	-68.3	176.1	0	0	0	112.3	I142 N143 K148 G149 P152 R195	I142-L146 HydrophobicContact CG2-CD1 4.19Å; I142-L146 WeakPolarHBondContact O-CG 3.35Å; I142-L146 PolarHBondContact O-N 3.33Å; I142-L146 VanDerWaalsContact O-N 3.08Å; N143-L146 PolarHBondContact O-N 3.3Å; L146-K148 PolarHBondContact O-N 2.95Å; L146-G149 PolarHBondContact O-N 2.98Å; L146-P152 HydrophobicContact CD2-CG 4.31Å; L146-R195 HydrophobicContact CD1-CB 3.75Å; L146-R195 HydrophobicContact CD1-CG 3.93Å
147	Q	98.9	Very high	98.9	Very high	149 Å²	149	30.4 Å²	30.4	70%	0.696	17%	0.165	S	C	*	.	H	α-helix	trans	-56.7	-36	173.8	-176.9	-174.2	4	0	0	111.7	N143 Y144 L145 G149	N143-Q147 VanDerWaalsContact O-CB 3.32Å; N143-Q147 WeakPolarHBondContact O-CB 3.5Å; N143-Q147 PolarHBondContact O-N 2.86Å; Y144-Q147 PolarHBondContact O-N 2.78Å; L145-Q147 PolarHBondContact O-N 3.08Å; Q147-G149 VanDerWaalsContact C-N 3.31Å
148	K	98.9	Very high	98.9	Very high	57 Å²	57	30 Å²	30	25%	0.248	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	0.1	179.2	-62.2	-63.5	-66.2	-161.5	0	112.9	V102 N103 K106 Y144 L145 L146 I150	V102-K148 HydrophobicContact CG1-CB 3.91Å; V102-K148 HydrophobicContact CG1-CG 3.88Å; N103-K148 WeakPolarHBondContact OD1-CE 3.3Å; N103-K148 PolarHBondContact OD1-NZ 3.14Å; K106-K148 HydrophobicContact CD-CB 4.16Å; K106-K148 WeakPolarHBondContact CD-O 3.32Å; K106-K148 WeakPolarHBondContact CE-O 3.47Å; K106-K148 PolarHBondContact NZ-O 2.82Å; Y144-K148 HydrophobicContact CD1-CG 4.17Å; Y144-K148 HydrophobicContact CE1-CD 4.36Å; Y144-K148 HydrophobicContact CE1-CG 3.84Å; Y144-K148 HydrophobicContact CE2-CD 4.5Å; Y144-K148 HydrophobicContact CE2-CG 4.43Å; Y144-K148 WeakPolarHBondContact O-CB 3.36Å; Y144-K148 WeakPolarHBondContact O-CG 3.38Å; Y144-K148 PolarHBondContact O-N 2.97Å; L145-K148 CarbonylContact O-C 3.52Å; L145-K148 PolarHBondContact O-N 2.79Å; L145-K148 VanDerWaalsContact O-N 3.08Å; L146-K148 PolarHBondContact O-N 2.95Å; K148-I150 HydrophobicContact CB-CG1 4.44Å
149	G	98.7	Very high	98.9	Very high	54 Å²	54	30.4 Å²	30.4	56%	0.557	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	74.6	24.9	-179.8	0	0	0	0	0	113.7	L145 L146 Q147	L145-G149 PolarHBondContact O-N 2.81Å; L145-G149 VanDerWaalsContact O-N 3.08Å; L146-G149 PolarHBondContact O-N 2.98Å; Q147-G149 VanDerWaalsContact C-N 3.31Å
150	I	98.9	Very high	98.9	Very high	3 Å²	3	28.9 Å²	28.9	2%	0.015	16%	0.157	C	C	.	.	P	Polyproline II helix	trans	-100.7	127.6	175.1	-53.7	-62.2	0	0	0	109	M105 K106 F110 D111 L145 K148 P152	M105-I150 HydrophobicContact CG-CD1 4.3Å; M105-I150 HydrophobicContact CG-CG1 4.19Å; M105-I150 HydrophobicContact SD-CB 4.41Å; M105-I150 HydrophobicContact SD-CG1 4.14Å; M105-I150 HydrophobicContact SD-CG2 3.77Å; K106-I150 HydrophobicContact CB-CD1 4.26Å; F110-I150 WeakPolarHBondContact O-CD1 3.18Å; D111-I150 WeakPolarHBondContact O-CA 3.37Å; L145-I150 CarbonylContact C-O 3.6Å; L145-I150 HydrophobicContact CB-CB 4.39Å; L145-I150 HydrophobicContact CD2-CB 3.81Å; L145-I150 HydrophobicContact CD2-CG2 3.65Å; L145-I150 PolarHBondContact O-N 3.01Å; K148-I150 HydrophobicContact CB-CG1 4.44Å; I150-P152 WeakPolarHBondContact O-CD 3.37Å
151	T	98.9	Very high	98.9	Very high	53 Å²	53	25 Å²	25	33%	0.325	14%	0.136	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	122.3	-178.5	-53.9	0	0	0	0	110.8	D111 A112 Y113 Y153	D111-T151 PolarHBondContact O-N 2.99Å; D111-T151 PolarHBondContact O-OG1 3Å; A112-T151 VanDerWaalsContact CA-O 3.24Å; A112-T151 WeakPolarHBondContact CA-O 3.18Å; A112-T151 WeakPolarHBondContact CB-O 3.29Å; Y113-T151 PolarHBondContact N-O 2.87Å; T151-Y153 HydrophobicContact CG2-CD2 4.15Å; T151-Y153 HydrophobicContact CG2-CE2 3.83Å; T151-Y153 PolarHBondContact O-N 2.88Å
152	P	99	Very high	98.9	Very high	2 Å²	2	24.9 Å²	24.9	1%	0.013	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	124.1	176.1	29.8	-33.6	0	0	0	111.2	F115 L145 L146 I150 V154 V196	F115-P152 HydrophobicContact CE1-CB 3.97Å; L145-P152 HydrophobicContact CD1-CB 4.18Å; L146-P152 HydrophobicContact CD2-CG 4.31Å; I150-P152 WeakPolarHBondContact O-CD 3.37Å; P152-V154 HydrophobicContact CB-CG2 4.12Å; P152-V196 HydrophobicContact CB-CG2 4.43Å; P152-V196 HydrophobicContact CG-CG2 4.17Å
153	Y	98.9	Very high	98.9	Very high	17 Å²	17	26.1 Å²	26.1	7%	0.067	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	111.9	165.7	-83.2	-114.2	0	0	0	107.9	V48 A112 Y113 R114 F115 T151 H198 F200 F459	V48-Y153 HydrophobicContact CG1-CE2 4.33Å; A112-Y153 HydrophobicContact CB-CD2 3.9Å; A112-Y153 HydrophobicContact CB-CE2 3.97Å; Y113-Y153 PolarHBondContact O-N 2.74Å; R114-Y153 VanDerWaalsContact CA-O 3.22Å; R114-Y153 WeakPolarHBondContact CA-O 3.35Å; F115-Y153 PolarHBondContact N-O 3.29Å; F115-Y153 VanDerWaalsContact N-O 3.07Å; T151-Y153 HydrophobicContact CG2-CD2 4.15Å; T151-Y153 HydrophobicContact CG2-CE2 3.83Å; T151-Y153 PolarHBondContact O-N 2.88Å; Y153-H198 WeakPolarHBondContact CA-O 3.29Å; Y153-H198 HydrophobicContact CD1-CB 3.51Å; Y153-H198 HydrophobicContact CD2-CB 3.92Å; Y153-H198 HydrophobicContact CE1-CB 3.58Å; Y153-H198 AromaticContact CE1-CD2 3.88Å; Y153-H198 AromaticContact CE1-CG 3.72Å; Y153-H198 HydrophobicContact CE2-CB 3.98Å; Y153-H198 AromaticContact CE2-CG 3.69Å; Y153-H198 AromaticContact CE2-ND1 3.66Å; Y153-H198 HydrophobicContact CG-CB 3.68Å; Y153-H198 AromaticContact CZ-CD2 3.62Å; Y153-H198 AromaticContact CZ-CG 3.48Å; Y153-H198 VanDerWaalsContact CZ-CG 3.48Å; Y153-H198 AromaticContact CZ-ND1 3.85Å; Y153-F200 AromaticContact CD1-CE2 3.79Å; Y153-F200 HydrophobicContact CD1-CE2 3.79Å; Y153-F200 HydrophobicContact CD1-CZ 4.14Å; Y153-F459 HydrophobicContact CD1-CE2 4.27Å; Y153-F459 AromaticContact CD1-CZ 3.91Å; Y153-F459 HydrophobicContact CD1-CZ 3.91Å; Y153-F459 HydrophobicContact CD2-CE1 4.34Å; Y153-F459 AromaticContact CD2-CZ 3.73Å; Y153-F459 HydrophobicContact CD2-CZ 3.73Å; Y153-F459 HydrophobicContact CE1-CE2 4.35Å; Y153-F459 HydrophobicContact CE1-CZ 4.18Å; Y153-F459 HydrophobicContact CE2-CZ 4.02Å; Y153-F459 HydrophobicContact CG-CE1 4.28Å; Y153-F459 HydrophobicContact CG-CE2 4.47Å; Y153-F459 AromaticContact CG-CZ 3.67Å; Y153-F459 HydrophobicContact CG-CZ 3.67Å
154	V	99	Very high	98.9	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	118.4	-164.9	-176	0	0	0	0	111.6	F115 I117 P152 V196 H198 W199 F200	F115-V154 HydrophobicContact CD1-CG2 4.5Å; F115-V154 HydrophobicContact CE1-CG2 3.73Å; F115-V154 HydrophobicContact CE2-CG1 4.35Å; F115-V154 HydrophobicContact CE2-CG2 4.26Å; F115-V154 HydrophobicContact CZ-CG1 4.47Å; F115-V154 HydrophobicContact CZ-CG2 3.58Å; F115-V154 WeakPolarHBondContact O-CA 3.09Å; I117-V154 HydrophobicContact CD1-CG1 3.67Å; I117-V154 HydrophobicContact CG1-CG1 3.72Å; P152-V154 HydrophobicContact CB-CG2 4.12Å; V154-V196 HydrophobicContact CB-CG1 3.95Å; V154-V196 HydrophobicContact CG2-CB 4.44Å; V154-V196 HydrophobicContact CG2-CG1 3.53Å; V154-V196 HydrophobicContact CG2-CG2 3.99Å; V154-H198 PolarHBondContact N-O 3.08Å; V154-W199 HydrophobicContact CB-CE3 3.77Å; V154-W199 HydrophobicContact CB-CZ3 3.8Å; V154-W199 HydrophobicContact CG1-CE3 3.95Å; V154-W199 HydrophobicContact CG1-CZ3 3.59Å; V154-W199 CarbonylContact O-C 3.54Å; V154-W199 WeakPolarHBondContact O-CA 3.19Å; V154-F200 PolarHBondContact O-N 3.39Å
155	N	98.9	Very high	98.9	Very high	1 Å²	1	22.7 Å²	22.7	1%	0.005	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	129.5	167.5	-105.5	77.2	0	0	0	109.8	R114 F115 S116 I117 Y157 F200 F202 N203	R114-N155 PolarHBondContact NE-OD1 2.87Å; R114-N155 PolarHBondContact NH2-OD1 3.22Å; F115-N155 PolarHBondContact O-N 3Å; S116-N155 CarbonylContact C-O 3.49Å; S116-N155 WeakPolarHBondContact CA-O 3.32Å; S116-N155 WeakPolarHBondContact CB-O 3.38Å; I117-N155 PolarHBondContact N-O 3.01Å; N155-Y157 PolarHBondContact ND2-O 2.86Å; N155-F200 CarbonylContact C-O 3.56Å; N155-F200 WeakPolarHBondContact CA-O 3.25Å; N155-F200 VanDerWaalsContact OD1-CB 3.26Å; N155-F200 WeakPolarHBondContact OD1-CB 3.47Å; N155-F200 WeakPolarHBondContact OD1-CD2 3.43Å; N155-F202 PolarHBondContact ND2-O 2.97Å; N155-N203 PolarHBondContact ND2-N 3.46Å
156	L	99	Very high	98.9	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	14%	0.138	C	C	.	.	S	Bend	trans	-77.7	-29.4	174.8	-67.6	176.6	0	0	0	112.4	F181 Y184 A185 C188 F189 W199 F200 T201	L156-F181 HydrophobicContact CB-CE2 4.18Å; L156-F181 HydrophobicContact CB-CZ 3.88Å; L156-F181 HydrophobicContact CD1-CZ 4.14Å; L156-Y184 HydrophobicContact CB-CE1 4.06Å; L156-Y184 WeakPolarHBondContact O-CE1 3.33Å; L156-Y184 PolarHBondContact O-OH 3.4Å; L156-A185 HydrophobicContact CD1-CB 3.65Å; L156-C188 HydrophobicContact CD2-CB 3.59Å; L156-F189 HydrophobicContact CD1-CE1 4.12Å; L156-F189 HydrophobicContact CD1-CZ 4.01Å; L156-W199 HydrophobicContact CD2-CE3 3.88Å; L156-W199 HydrophobicContact CD2-CZ3 3.65Å; L156-W199 HydrophobicContact CG-CE3 4.23Å; L156-W199 HydrophobicContact CG-CZ3 4.49Å; L156-F200 PolarHBondContact N-O 3.4Å; L156-T201 PolarHBondContact N-O 2.87Å
157	Y	98.9	Very high	98.9	Very high	1 Å²	1	28.7 Å²	28.7	0%	0.004	15%	0.154	C	C	.	.			trans	-139.2	135.6	-178.8	-179.7	-94.4	0	0	0	111.3	W119 N155 Y159 L161 W172 T201 F202 N203 F243	W119-Y157 HydrophobicContact CE3-CD2 4.45Å; N155-Y157 PolarHBondContact ND2-O 2.86Å; Y157-Y159 VanDerWaalsContact CE1-N 3.27Å; Y157-Y159 WeakPolarHBondContact OH-CA 3.5Å; Y157-Y159 PolarHBondContact OH-O 3.41Å; Y157-L161 HydrophobicContact CE2-CB 3.96Å; Y157-L161 HydrophobicContact CE2-CD1 4.48Å; Y157-W172 HydrophobicContact CD2-CZ2 4.06Å; Y157-W172 HydrophobicContact CE1-CZ2 4.24Å; Y157-W172 AromaticContact CE2-CZ2 3.72Å; Y157-W172 HydrophobicContact CE2-CZ2 3.72Å; Y157-W172 AromaticContact CE2-NE1 4Å; Y157-W172 HydrophobicContact CG-CZ2 4.44Å; Y157-W172 AromaticContact CZ-CE2 3.92Å; Y157-W172 AromaticContact CZ-CZ2 3.82Å; Y157-W172 AromaticContact CZ-NE1 3.46Å; Y157-W172 PolarHBondContact OH-NE1 2.89Å; Y157-T201 PolarHBondContact N-O 3.09Å; Y157-F202 AromaticContact CD1-CD1 3.74Å; Y157-F202 HydrophobicContact CD1-CD1 3.74Å; Y157-F202 HydrophobicContact CD1-CE1 4.46Å; Y157-F202 AromaticContact CG-CD1 3.93Å; Y157-F202 HydrophobicContact CG-CD1 3.93Å; Y157-F202 HydrophobicContact CG-CE1 4.35Å; Y157-N203 PolarHBondContact O-N 2.88Å; Y157-F243 HydrophobicContact CD1-CE1 4.27Å; Y157-F243 HydrophobicContact CE1-CE1 4.01Å; Y157-F243 HydrophobicContact CE1-CZ 4.01Å
158	H	98.8	Very high	98.9	Very high	2 Å²	2	27.8 Å²	27.8	1%	0.009	15%	0.148	C	C	.	.	S	Bend	trans	-144.7	75.2	171.8	-159.4	133.2	0	0	0	109.6	S54 D160 N203 E414 W469	S54-H158 WeakPolarHBondContact CB-ND1 3.44Å; H158-D160 PolarHBondContact N-OD1 3.07Å; H158-D160 VanDerWaalsContact N-OD1 3.09Å; H158-D160 PolarHBondContact O-N 2.61Å; H158-N203 HydrophobicContact CB-CB 4.23Å; H158-N203 PolarHBondContact CE1-ND2 2.9Å; H158-N203 PolarHBondContact NE2-ND2 2.92Å; H158-N203 VanDerWaalsContact NE2-ND2 3.14Å; H158-E414 IonicContact CE1-OE1 2.74Å; H158-W469 AromaticContact CD2-CZ2 3.6Å; H158-W469 AromaticContact NE2-CZ2 3.67Å
159	Y	98.8	Very high	98.9	Very high	9 Å²	9	27.8 Å²	27.8	4%	0.035	15%	0.147	C	C	.	.	S	Bend	trans	67	-7.4	177.8	-48.4	-32.9	0	0	0	116.8	Y157 L161 N203 E204 I207 V208 W469	Y157-Y159 VanDerWaalsContact CE1-N 3.27Å; Y157-Y159 WeakPolarHBondContact OH-CA 3.5Å; Y157-Y159 PolarHBondContact OH-O 3.41Å; Y159-L161 PolarHBondContact O-N 2.84Å; Y159-N203 WeakPolarHBondContact CE1-O 3.25Å; Y159-N203 PolarHBondContact OH-ND2 3.2Å; Y159-E204 HydrophobicContact CE1-CB 4.27Å; Y159-E204 WeakPolarHBondContact OH-CB 3.35Å; Y159-E204 PolarHBondContact OH-OE2 2.82Å; Y159-I207 WeakPolarHBondContact OH-CB 3.48Å; Y159-I207 WeakPolarHBondContact OH-CG2 3.4Å; Y159-V208 HydrophobicContact CD1-CG2 3.35Å; Y159-V208 HydrophobicContact CE1-CG2 3.51Å; Y159-V208 HydrophobicContact CG-CG2 4.49Å; Y159-W469 HydrophobicContact CD2-CD2 4.24Å; Y159-W469 AromaticContact CD2-CE2 3.65Å; Y159-W469 HydrophobicContact CD2-CE3 4.49Å; Y159-W469 AromaticContact CD2-CH2 3.67Å; Y159-W469 HydrophobicContact CD2-CH2 3.67Å; Y159-W469 AromaticContact CD2-CZ2 3.35Å; Y159-W469 HydrophobicContact CD2-CZ2 3.35Å; Y159-W469 HydrophobicContact CD2-CZ3 4.23Å; Y159-W469 AromaticContact CE2-CE2 3.85Å; Y159-W469 AromaticContact CE2-CZ2 3.82Å; Y159-W469 HydrophobicContact CE2-CZ2 3.82Å; Y159-W469 AromaticContact CE2-NE1 3.94Å; Y159-W469 HydrophobicContact CG-CH2 4.41Å; Y159-W469 HydrophobicContact CG-CZ2 4.43Å
160	D	98.7	Very high	98.9	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.133	C	C	.	.			trans	-95.8	52.1	-165.8	60.8	-27.7	0	0	0	113.1	S118 H158	S118-D160 WeakPolarHBondContact CA-OD2 3.43Å; S118-D160 WeakPolarHBondContact CB-OD2 3.32Å; S118-D160 PolarHBondContact OG-OD2 2.97Å; H158-D160 PolarHBondContact N-OD1 3.07Å; H158-D160 VanDerWaalsContact N-OD1 3.09Å; H158-D160 PolarHBondContact O-N 2.61Å
161	L	98.9	Very high	98.8	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.132	C	C	.	.			trans	-55.9	130.3	177	-175.7	71.2	0	0	0	110.2	S70 I71 W119 Y157 Y159 L163 L165 E166 W172 M177	S70-L161 CarbonylContact C-O 3.58Å; S70-L161 WeakPolarHBondContact CA-O 3.26Å; S70-L161 VanDerWaalsContact CB-O 3.29Å; S70-L161 WeakPolarHBondContact CB-O 3.36Å; I71-L161 HydrophobicContact CD1-CB 3.99Å; I71-L161 HydrophobicContact CG1-CB 4.19Å; I71-L161 HydrophobicContact CG2-CB 4.21Å; I71-L161 HydrophobicContact CG2-CD2 4.42Å; I71-L161 PolarHBondContact N-O 2.85Å; W119-L161 HydrophobicContact CE3-CD1 4.23Å; W119-L161 HydrophobicContact CZ3-CD1 3.9Å; Y157-L161 HydrophobicContact CE2-CB 3.96Å; Y157-L161 HydrophobicContact CE2-CD1 4.48Å; Y159-L161 PolarHBondContact O-N 2.84Å; L161-L163 PolarHBondContact O-N 3Å; L161-L165 HydrophobicContact CD1-CB 4.3Å; L161-L165 HydrophobicContact CD1-CD1 4.23Å; L161-L165 HydrophobicContact CG-CB 4.43Å; L161-E166 HydrophobicContact CD2-CB 4.14Å; L161-E166 WeakPolarHBondContact CD2-OE2 3.13Å; L161-W172 HydrophobicContact CD1-CZ2 4.1Å; L161-M177 HydrophobicContact CD1-CE 3.5Å; L161-M177 HydrophobicContact CD1-SD 4.39Å
162	P	98.9	Very high	98.8	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.117	C	C	.	.	B	Isolated β-bridge	trans	-54.3	127.5	173	-23.4	32.6	0	0	0	110.5	W119 A164 L165 E166	W119-P162 HydrophobicContact CB-CG 3.85Å; W119-P162 HydrophobicContact CD2-CG 3.71Å; W119-P162 HydrophobicContact CE3-CG 4.25Å; W119-P162 HydrophobicContact CG-CG 3.5Å; W119-P162 VanDerWaalsContact CG-CG 3.5Å; P162-A164 PolarHBondContact O-N 3.22Å; P162-A164 VanDerWaalsContact O-N 3.12Å; P162-L165 HydrophobicContact CB-CD1 4.48Å; P162-L165 HydrophobicContact CB-CG 4.23Å; P162-L165 HydrophobicContact CG-CD1 4.21Å; P162-L165 HydrophobicContact CG-CG 4.49Å; P162-L165 PolarHBondContact O-N 2.98Å; P162-E166 PolarHBondContact O-N 3.41Å
163	L	98.9	Very high	98.8	Very high	26 Å²	26	25.8 Å²	25.8	14%	0.136	13%	0.127	C	C	.	.	H	α-helix	trans	-59	-30.6	-175.2	-179.4	62.6	0	0	0	111.9	P69 I71 A74 L161 L165 E166 K167	P69-L163 HydrophobicContact CB-CB 4.3Å; P69-L163 HydrophobicContact CB-CD2 4.18Å; P69-L163 HydrophobicContact CG-CB 4.16Å; P69-L163 HydrophobicContact CG-CD2 4.01Å; P69-L163 VanDerWaalsContact O-CB 3.28Å; P69-L163 WeakPolarHBondContact O-CB 3.48Å; P69-L163 PolarHBondContact O-N 3.13Å; I71-L163 HydrophobicContact CG2-CD1 4.3Å; A74-L163 HydrophobicContact CB-CD1 4.1Å; A74-L163 HydrophobicContact CB-CD2 3.92Å; L161-L163 PolarHBondContact O-N 3Å; L163-L165 VanDerWaalsContact C-N 3.32Å; L163-L165 PolarHBondContact O-N 2.91Å; L163-E166 PolarHBondContact O-N 3.19Å; L163-K167 HydrophobicContact CD1-CG 4.41Å; L163-K167 HydrophobicContact CG-CD 4.2Å; L163-K167 HydrophobicContact CG-CG 4.45Å; L163-K167 WeakPolarHBondContact O-CG 3.4Å; L163-K167 PolarHBondContact O-N 2.97Å
164	A	98.9	Very high	98.8	Very high	31 Å²	31	27.7 Å²	27.7	26%	0.256	14%	0.138	S	C	.	.	H	α-helix	trans	-59.6	-39.4	174.7	0	0	0	0	0	112.5	D125 P162 K167 K168	D125-A164 HydrophobicContact CB-CB 4.26Å; D125-A164 VanDerWaalsContact O-CB 3.32Å; D125-A164 WeakPolarHBondContact O-CB 3.21Å; P162-A164 PolarHBondContact O-N 3.22Å; P162-A164 VanDerWaalsContact O-N 3.12Å; A164-K167 PolarHBondContact O-N 3.47Å; A164-K168 WeakPolarHBondContact O-CB 3.18Å; A164-K168 PolarHBondContact O-N 3.38Å
165	L	98.9	Very high	98.8	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-72.4	-37.3	178	-59.6	-174.4	0	0	0	112.1	W119 E127 L161 P162 L163 Y169 M177 L180	W119-L165 HydrophobicContact CH2-CD1 3.52Å; W119-L165 HydrophobicContact CZ2-CD1 3.46Å; W119-L165 VanDerWaalsContact CZ2-CD1 3.46Å; W119-L165 HydrophobicContact CZ3-CD1 4.07Å; E127-L165 HydrophobicContact CG-CD2 4.42Å; L161-L165 HydrophobicContact CD1-CB 4.3Å; L161-L165 HydrophobicContact CD1-CD1 4.23Å; L161-L165 HydrophobicContact CG-CB 4.43Å; P162-L165 HydrophobicContact CB-CD1 4.48Å; P162-L165 HydrophobicContact CB-CG 4.23Å; P162-L165 HydrophobicContact CG-CD1 4.21Å; P162-L165 HydrophobicContact CG-CG 4.49Å; P162-L165 PolarHBondContact O-N 2.98Å; L163-L165 VanDerWaalsContact C-N 3.32Å; L163-L165 PolarHBondContact O-N 2.91Å; L165-Y169 HydrophobicContact CD2-CD2 4Å; L165-Y169 HydrophobicContact CD2-CE2 4.04Å; L165-Y169 WeakPolarHBondContact O-CB 3.18Å; L165-Y169 PolarHBondContact O-N 2.89Å; L165-M177 HydrophobicContact CD1-CE 4.42Å; L165-L180 HydrophobicContact CD2-CD1 4.25Å; L165-L180 HydrophobicContact CD2-CD2 4.3Å
166	E	98.8	Very high	98.8	Very high	32 Å²	32	35 Å²	35	15%	0.15	18%	0.181	C	C	.	.	H	α-helix	trans	-59.6	-49.9	172.6	-174.6	62.4	-153.7	0	0	110.5	I71 L161 P162 L163 G170 G171 P220	I71-E166 HydrophobicContact CG2-CB 3.54Å; I71-E166 HydrophobicContact CG2-CG 3.8Å; L161-E166 HydrophobicContact CD2-CB 4.14Å; L161-E166 WeakPolarHBondContact CD2-OE2 3.13Å; P162-E166 PolarHBondContact O-N 3.41Å; L163-E166 PolarHBondContact O-N 3.19Å; E166-G170 WeakPolarHBondContact O-CA 3.36Å; E166-G170 PolarHBondContact O-N 2.95Å; E166-G171 WeakPolarHBondContact OE2-CA 3.5Å; E166-P220 WeakPolarHBondContact OE1-CB 3.46Å
167	K	98.7	Very high	98.8	Very high	165 Å²	165	35 Å²	35	72%	0.717	18%	0.181	S	C	*	.	H	α-helix	trans	-66.7	-38.8	-179.3	-72.3	-179.8	175.5	-177.8	0	113.4	L163 A164	L163-K167 HydrophobicContact CD1-CG 4.41Å; L163-K167 HydrophobicContact CG-CD 4.2Å; L163-K167 HydrophobicContact CG-CG 4.45Å; L163-K167 WeakPolarHBondContact O-CG 3.4Å; L163-K167 PolarHBondContact O-N 2.97Å; A164-K167 PolarHBondContact O-N 3.47Å
168	K	98.8	Very high	98.8	Very high	130 Å²	130	35.5 Å²	35.5	57%	0.565	19%	0.186	S	C	*	.	H	α-helix	trans	-83.2	-39.8	-174.2	-175.3	174.9	175.3	-167.1	0	112.9	E127 A164	E127-K168 IonicContact OE1-NZ 3.63Å; E127-K168 PolarHBondContact OE1-NZ 2.91Å; A164-K168 WeakPolarHBondContact O-CB 3.18Å; A164-K168 PolarHBondContact O-N 3.38Å
169	Y	98.8	Very high	98.8	Very high	58 Å²	58	39.4 Å²	39.4	23%	0.227	21%	0.207	C	C	.	.	H	α-helix	trans	-116.3	-11.8	-171.2	-63.6	-74	0	0	0	114	E127 L165 G171 N174 K176 L180	E127-Y169 PolarHBondContact OE1-OH 3.27Å; L165-Y169 HydrophobicContact CD2-CD2 4Å; L165-Y169 HydrophobicContact CD2-CE2 4.04Å; L165-Y169 WeakPolarHBondContact O-CB 3.18Å; L165-Y169 PolarHBondContact O-N 2.89Å; Y169-G171 VanDerWaalsContact C-N 3.33Å; Y169-N174 WeakPolarHBondContact O-CB 3.44Å; Y169-N174 PolarHBondContact O-ND2 2.75Å; Y169-K176 HydrophobicContact CD1-CG 4.48Å; Y169-K176 HydrophobicContact CE1-CG 4.37Å; Y169-L180 HydrophobicContact CD2-CD1 3.69Å; Y169-L180 HydrophobicContact CE2-CD1 3.87Å; Y169-L180 HydrophobicContact CE2-CD2 4.23Å; Y169-L180 HydrophobicContact CG-CD1 4.14Å
170	G	98.5	Very high	98.8	Very high	26 Å²	26	39.6 Å²	39.6	27%	0.268	21%	0.208	S	C	.	.			trans	77.6	20.8	-169.7	0	0	0	0	0	113.3	E166 W172 L173	E166-G170 WeakPolarHBondContact O-CA 3.36Å; E166-G170 PolarHBondContact O-N 2.95Å; G170-W172 PolarHBondContact O-N 2.63Å; G170-L173 PolarHBondContact O-N 2.87Å
171	G	98.8	Very high	98.8	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	52.6	-132.1	176.5	0	0	0	0	0	113.3	E166 Y169 L173 N174 M177	E166-G171 WeakPolarHBondContact OE2-CA 3.5Å; Y169-G171 VanDerWaalsContact C-N 3.33Å; G171-L173 PolarHBondContact O-N 3.03Å; G171-L173 VanDerWaalsContact O-N 3.08Å; G171-N174 WeakPolarHBondContact O-CB 3.49Å; G171-N174 PolarHBondContact O-N 3.3Å; G171-M177 WeakPolarHBondContact O-CG 3.47Å
172	W	98.9	Very high	98.8	Very high	1 Å²	1	39.9 Å²	39.9	0%	0.004	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-69.3	-4.9	-172.1	-60.6	111.7	0	0	0	115.3	W119 Y157 L161 G170 M177 F181 F202 V239 N242 F243	W119-W172 HydrophobicContact CZ3-CH2 4.45Å; Y157-W172 HydrophobicContact CD2-CZ2 4.06Å; Y157-W172 HydrophobicContact CE1-CZ2 4.24Å; Y157-W172 AromaticContact CE2-CZ2 3.72Å; Y157-W172 HydrophobicContact CE2-CZ2 3.72Å; Y157-W172 AromaticContact CE2-NE1 4Å; Y157-W172 HydrophobicContact CG-CZ2 4.44Å; Y157-W172 AromaticContact CZ-CE2 3.92Å; Y157-W172 AromaticContact CZ-CZ2 3.82Å; Y157-W172 AromaticContact CZ-NE1 3.46Å; Y157-W172 PolarHBondContact OH-NE1 2.89Å; L161-W172 HydrophobicContact CD1-CZ2 4.1Å; G170-W172 PolarHBondContact O-N 2.63Å; W172-M177 HydrophobicContact CD2-CE 4.24Å; W172-M177 HydrophobicContact CD2-CG 4.46Å; W172-M177 HydrophobicContact CE3-CB 3.75Å; W172-M177 HydrophobicContact CE3-CE 3.98Å; W172-M177 HydrophobicContact CE3-CG 3.9Å; W172-M177 HydrophobicContact CH2-CE 3.45Å; W172-M177 VanDerWaalsContact CH2-CE 3.45Å; W172-M177 HydrophobicContact CZ2-CE 3.75Å; W172-M177 HydrophobicContact CZ3-CB 3.69Å; W172-M177 HydrophobicContact CZ3-CE 3.59Å; W172-M177 HydrophobicContact CZ3-CG 4.16Å; W172-F181 HydrophobicContact CH2-CB 4.48Å; W172-F181 HydrophobicContact CH2-CD2 4.22Å; W172-F181 HydrophobicContact CH2-CG 4.46Å; W172-F202 HydrophobicContact CH2-CD1 4.45Å; W172-F202 AromaticContact CH2-CE1 3.48Å; W172-F202 HydrophobicContact CH2-CE1 3.48Å; W172-F202 VanDerWaalsContact CH2-CE1 3.48Å; W172-F202 AromaticContact CH2-CZ 3.95Å; W172-F202 HydrophobicContact CH2-CZ 3.95Å; W172-F202 HydrophobicContact CZ2-CE1 4.05Å; W172-F202 HydrophobicContact CZ3-CE1 4.15Å; W172-F202 HydrophobicContact CZ3-CZ 4.21Å; W172-V239 HydrophobicContact CB-CB 4.38Å; W172-V239 HydrophobicContact CB-CG1 3.88Å; W172-V239 HydrophobicContact CB-CG2 4.07Å; W172-N242 WeakPolarHBondContact O-CB 3.39Å; W172-N242 PolarHBondContact O-ND2 3.36Å; W172-F243 HydrophobicContact CB-CE2 4.38Å; W172-F243 AromaticContact CD1-CZ 3.65Å; W172-F243 HydrophobicContact CD2-CD1 4.19Å; W172-F243 AromaticContact CD2-CE1 3.58Å; W172-F243 HydrophobicContact CD2-CE1 3.58Å; W172-F243 HydrophobicContact CD2-CE2 4.06Å; W172-F243 AromaticContact CD2-CZ 3.5Å; W172-F243 HydrophobicContact CD2-CZ 3.5Å; W172-F243 AromaticContact CE2-CE1 3.38Å; W172-F243 AromaticContact CE2-CZ 3.4Å; W172-F243 VanDerWaalsContact CE2-CZ 3.4Å; W172-F243 AromaticContact CE3-CD1 3.98Å; W172-F243 HydrophobicContact CE3-CD1 3.98Å; W172-F243 AromaticContact CE3-CE1 3.82Å; W172-F243 HydrophobicContact CE3-CE1 3.82Å; W172-F243 HydrophobicContact CE3-CG 4.45Å; W172-F243 HydrophobicContact CE3-CZ 4.14Å; W172-F243 HydrophobicContact CG-CE1 4.27Å; W172-F243 AromaticContact CG-CE2 3.92Å; W172-F243 HydrophobicContact CG-CE2 3.92Å; W172-F243 AromaticContact CG-CZ 3.69Å; W172-F243 HydrophobicContact CG-CZ 3.69Å; W172-F243 HydrophobicContact CH2-CD1 4.17Å; W172-F243 AromaticContact CH2-CE1 3.76Å; W172-F243 HydrophobicContact CH2-CE1 3.76Å; W172-F243 HydrophobicContact CZ2-CD1 4.34Å; W172-F243 AromaticContact CZ2-CE1 3.49Å; W172-F243 HydrophobicContact CZ2-CE1 3.49Å; W172-F243 VanDerWaalsContact CZ2-CE1 3.49Å; W172-F243 AromaticContact CZ2-CZ 4Å; W172-F243 HydrophobicContact CZ2-CZ 4Å; W172-F243 AromaticContact CZ3-CD1 3.97Å; W172-F243 HydrophobicContact CZ3-CD1 3.97Å; W172-F243 AromaticContact CZ3-CE1 3.89Å; W172-F243 HydrophobicContact CZ3-CE1 3.89Å; W172-F243 AromaticContact NE1-CE1 3.92Å; W172-F243 AromaticContact NE1-CZ 3.47Å
173	L	98.9	Very high	98.8	Very high	42 Å²	42	44.7 Å²	44.7	22%	0.22	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-72.7	-19.7	167.9	-67.5	172.1	0	0	0	112.3	G170 G171 Y213 E235 I238 V239 N242	G170-L173 PolarHBondContact O-N 2.87Å; G171-L173 PolarHBondContact O-N 3.03Å; G171-L173 VanDerWaalsContact O-N 3.08Å; L173-Y213 HydrophobicContact CD1-CD1 4.4Å; L173-Y213 HydrophobicContact CD1-CE1 3.91Å; L173-Y213 HydrophobicContact CD2-CD1 4.07Å; L173-Y213 HydrophobicContact CD2-CE1 4.01Å; L173-Y213 HydrophobicContact CG-CD1 4.24Å; L173-Y213 HydrophobicContact CG-CE1 3.69Å; L173-E235 HydrophobicContact CD2-CB 3.79Å; L173-E235 HydrophobicContact CD2-CG 3.72Å; L173-I238 HydrophobicContact CD2-CB 4.4Å; L173-I238 HydrophobicContact CD2-CG2 4.25Å; L173-I238 WeakPolarHBondContact O-CG2 3.44Å; L173-V239 HydrophobicContact CD2-CG2 3.88Å; L173-V239 HydrophobicContact CG-CG2 4.4Å; L173-N242 VanDerWaalsContact C-ND2 3.35Å; L173-N242 PolarHBondContact O-ND2 3.41Å
174	N	98.8	Very high	98.8	Very high	57 Å²	57	43.6 Å²	43.6	31%	0.305	23%	0.227	S	C	.	.	S	Bend	trans	-101.2	124.5	-173.5	-162.7	-37.9	0	0	0	112.1	Y169 G171 K176 M177	Y169-N174 WeakPolarHBondContact O-CB 3.44Å; Y169-N174 PolarHBondContact O-ND2 2.75Å; G171-N174 WeakPolarHBondContact O-CB 3.49Å; G171-N174 PolarHBondContact O-N 3.3Å; N174-K176 PolarHBondContact O-N 2.76Å; N174-K176 VanDerWaalsContact O-N 3.08Å; N174-K176 VanDerWaalsContact OD1-CB 3.26Å; N174-K176 WeakPolarHBondContact OD1-CB 3.46Å; N174-K176 PolarHBondContact OD1-N 3.34Å; N174-M177 WeakPolarHBondContact O-CB 3.35Å; N174-M177 WeakPolarHBondContact O-CG 3.11Å; N174-M177 PolarHBondContact O-N 3.09Å
175	A	98.6	Very high	98.8	Very high	61 Å²	61	42.1 Å²	42.1	50%	0.504	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-21.6	178	0	0	0	0	0	113.4	M177 A178 N242	A175-M177 PolarHBondContact O-N 3.23Å; A175-M177 VanDerWaalsContact O-N 3.09Å; A175-A178 PolarHBondContact O-N 3.19Å; A175-A178 VanDerWaalsContact O-N 3.09Å; A175-N242 WeakPolarHBondContact CA-OD1 3.31Å
176	K	98.7	Very high	98.8	Very high	93 Å²	93	42.5 Å²	42.5	40%	0.404	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-18.7	173.5	-171.5	60	-178.3	176.4	0	113.2	Y169 N174 A178 D179 L180	Y169-K176 HydrophobicContact CD1-CG 4.48Å; Y169-K176 HydrophobicContact CE1-CG 4.37Å; N174-K176 PolarHBondContact O-N 2.76Å; N174-K176 VanDerWaalsContact O-N 3.08Å; N174-K176 VanDerWaalsContact OD1-CB 3.26Å; N174-K176 WeakPolarHBondContact OD1-CB 3.46Å; N174-K176 PolarHBondContact OD1-N 3.34Å; K176-A178 PolarHBondContact O-N 2.86Å; K176-D179 HydrophobicContact CD-CB 4.13Å; K176-D179 WeakPolarHBondContact CD-OD2 3.22Å; K176-D179 WeakPolarHBondContact CE-OD2 3.43Å; K176-D179 IonicContact NZ-OD2 2.72Å; K176-D179 PolarHBondContact NZ-OD2 3.25Å; K176-D179 PolarHBondContact O-N 2.99Å; K176-L180 HydrophobicContact CG-CD1 4.21Å; K176-L180 HydrophobicContact CG-CG 4.35Å; K176-L180 PolarHBondContact O-N 2.82Å; K176-L180 VanDerWaalsContact O-N 3.13Å
177	M	98.9	Very high	98.8	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-57.2	-27	172.9	-75.2	-55.9	-59.2	0	0	113.3	W119 L161 L165 G171 W172 N174 A175 D179 L180 F181	W119-M177 HydrophobicContact CH2-CE 3.63Å; W119-M177 HydrophobicContact CZ3-CE 3.61Å; L161-M177 HydrophobicContact CD1-CE 3.5Å; L161-M177 HydrophobicContact CD1-SD 4.39Å; L165-M177 HydrophobicContact CD1-CE 4.42Å; G171-M177 WeakPolarHBondContact O-CG 3.47Å; W172-M177 HydrophobicContact CD2-CE 4.24Å; W172-M177 HydrophobicContact CD2-CG 4.46Å; W172-M177 HydrophobicContact CE3-CB 3.75Å; W172-M177 HydrophobicContact CE3-CE 3.98Å; W172-M177 HydrophobicContact CE3-CG 3.9Å; W172-M177 HydrophobicContact CH2-CE 3.45Å; W172-M177 VanDerWaalsContact CH2-CE 3.45Å; W172-M177 HydrophobicContact CZ2-CE 3.75Å; W172-M177 HydrophobicContact CZ3-CB 3.69Å; W172-M177 HydrophobicContact CZ3-CE 3.59Å; W172-M177 HydrophobicContact CZ3-CG 4.16Å; N174-M177 WeakPolarHBondContact O-CB 3.35Å; N174-M177 WeakPolarHBondContact O-CG 3.11Å; N174-M177 PolarHBondContact O-N 3.09Å; A175-M177 PolarHBondContact O-N 3.23Å; A175-M177 VanDerWaalsContact O-N 3.09Å; M177-D179 VanDerWaalsContact C-N 3.32Å; M177-D179 PolarHBondContact O-N 3.21Å; M177-L180 PolarHBondContact O-N 3.29Å; M177-L180 HydrophobicContact SD-CB 4.44Å; M177-L180 HydrophobicContact SD-CD1 3.76Å; M177-F181 WeakPolarHBondContact O-CB 3.24Å; M177-F181 PolarHBondContact O-N 2.91Å
178	A	98.9	Very high	98.8	Very high	13 Å²	13	34.3 Å²	34.3	11%	0.107	18%	0.181	C	C	.	.	H	α-helix	trans	-60.5	-42.8	174.3	0	0	0	0	0	111.9	A175 K176 T182 S246 A249	A175-A178 PolarHBondContact O-N 3.19Å; A175-A178 VanDerWaalsContact O-N 3.09Å; K176-A178 PolarHBondContact O-N 2.86Å; A178-T182 WeakPolarHBondContact O-CB 3.33Å; A178-T182 PolarHBondContact O-N 2.9Å; A178-T182 VanDerWaalsContact O-N 3.08Å; A178-T182 PolarHBondContact O-OG1 2.84Å; A178-S246 VanDerWaalsContact CA-OG 3.26Å; A178-S246 WeakPolarHBondContact CA-OG 3.17Å; A178-S246 PolarHBondContact N-OG 2.89Å; A178-A249 HydrophobicContact CB-CB 4.5Å
179	D	98.8	Very high	98.8	Very high	84 Å²	84	28.1 Å²	28.1	45%	0.449	15%	0.154	S	C	.	.	H	α-helix	trans	-72	-49.2	177.3	-65.3	-17.5	0	0	0	111.2	K176 M177 F181 T182 E183	K176-D179 HydrophobicContact CD-CB 4.13Å; K176-D179 WeakPolarHBondContact CD-OD2 3.22Å; K176-D179 WeakPolarHBondContact CE-OD2 3.43Å; K176-D179 IonicContact NZ-OD2 2.72Å; K176-D179 PolarHBondContact NZ-OD2 3.25Å; K176-D179 PolarHBondContact O-N 2.99Å; M177-D179 VanDerWaalsContact C-N 3.32Å; M177-D179 PolarHBondContact O-N 3.21Å; D179-F181 VanDerWaalsContact C-N 3.33Å; D179-F181 PolarHBondContact O-N 3Å; D179-T182 PolarHBondContact O-N 3.23Å; D179-T182 VanDerWaalsContact O-N 3.12Å; D179-E183 PolarHBondContact O-N 3.3Å
180	L	98.9	Very high	98.9	Very high	12 Å²	12	31 Å²	31	6%	0.063	17%	0.167	C	C	.	.	H	α-helix	trans	-58.4	-46.6	-177.7	-68.2	164.5	0	0	0	111.1	W119 E127 L165 Y169 K176 M177 E183 Y184	W119-L180 HydrophobicContact CH2-CB 4.14Å; W119-L180 HydrophobicContact CZ2-CB 4.29Å; W119-L180 WeakPolarHBondContact CZ2-O 3.43Å; E127-L180 HydrophobicContact CB-CD2 4.27Å; L165-L180 HydrophobicContact CD2-CD1 4.25Å; L165-L180 HydrophobicContact CD2-CD2 4.3Å; Y169-L180 HydrophobicContact CD2-CD1 3.69Å; Y169-L180 HydrophobicContact CE2-CD1 3.87Å; Y169-L180 HydrophobicContact CE2-CD2 4.23Å; Y169-L180 HydrophobicContact CG-CD1 4.14Å; K176-L180 HydrophobicContact CG-CD1 4.21Å; K176-L180 HydrophobicContact CG-CG 4.35Å; K176-L180 PolarHBondContact O-N 2.82Å; K176-L180 VanDerWaalsContact O-N 3.13Å; M177-L180 PolarHBondContact O-N 3.29Å; M177-L180 HydrophobicContact SD-CB 4.44Å; M177-L180 HydrophobicContact SD-CD1 3.76Å; L180-E183 PolarHBondContact O-N 3.19Å; L180-Y184 PolarHBondContact O-N 2.93Å; L180-Y184 VanDerWaalsContact O-N 3.15Å
181	F	99	Very high	98.9	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-68	-37	177.6	-174.1	-102.3	0	0	0	111.9	W119 L156 W172 M177 D179 Y184 A185 T201 F202 A250	W119-F181 HydrophobicContact CE3-CD2 4.33Å; W119-F181 HydrophobicContact CH2-CB 4.1Å; W119-F181 HydrophobicContact CH2-CD2 4.21Å; W119-F181 HydrophobicContact CZ3-CB 4.42Å; W119-F181 AromaticContact CZ3-CD2 3.82Å; W119-F181 HydrophobicContact CZ3-CD2 3.82Å; L156-F181 HydrophobicContact CB-CE2 4.18Å; L156-F181 HydrophobicContact CB-CZ 3.88Å; L156-F181 HydrophobicContact CD1-CZ 4.14Å; W172-F181 HydrophobicContact CH2-CB 4.48Å; W172-F181 HydrophobicContact CH2-CD2 4.22Å; W172-F181 HydrophobicContact CH2-CG 4.46Å; M177-F181 WeakPolarHBondContact O-CB 3.24Å; M177-F181 PolarHBondContact O-N 2.91Å; D179-F181 VanDerWaalsContact C-N 3.33Å; D179-F181 PolarHBondContact O-N 3Å; F181-Y184 HydrophobicContact CD2-CD1 4.02Å; F181-Y184 HydrophobicContact CE2-CD1 4Å; F181-Y184 HydrophobicContact CE2-CE1 4.17Å; F181-Y184 PolarHBondContact O-N 3.03Å; F181-A185 VanDerWaalsContact O-CB 3.26Å; F181-A185 WeakPolarHBondContact O-CB 3.45Å; F181-A185 PolarHBondContact O-N 3Å; F181-T201 HydrophobicContact CE1-CG2 4.03Å; F181-T201 HydrophobicContact CZ-CG2 4.44Å; F181-F202 HydrophobicContact CD1-CE1 4.06Å; F181-F202 HydrophobicContact CD1-CE2 4.36Å; F181-F202 AromaticContact CD1-CZ 3.49Å; F181-F202 HydrophobicContact CD1-CZ 3.49Å; F181-F202 VanDerWaalsContact CD1-CZ 3.49Å; F181-F202 AromaticContact CD2-CE1 3.75Å; F181-F202 HydrophobicContact CD2-CE1 3.75Å; F181-F202 HydrophobicContact CD2-CZ 4.03Å; F181-F202 AromaticContact CE1-CE1 3.78Å; F181-F202 HydrophobicContact CE1-CE1 3.78Å; F181-F202 HydrophobicContact CE1-CE2 4.02Å; F181-F202 AromaticContact CE1-CZ 3.38Å; F181-F202 HydrophobicContact CE1-CZ 3.38Å; F181-F202 HydrophobicContact CE2-CD1 4.27Å; F181-F202 AromaticContact CE2-CE1 3.46Å; F181-F202 HydrophobicContact CE2-CE1 3.46Å; F181-F202 VanDerWaalsContact CE2-CE1 3.46Å; F181-F202 AromaticContact CE2-CZ 3.93Å; F181-F202 HydrophobicContact CE2-CZ 3.93Å; F181-F202 HydrophobicContact CG-CE1 4.04Å; F181-F202 AromaticContact CG-CZ 3.82Å; F181-F202 HydrophobicContact CG-CZ 3.82Å; F181-F202 HydrophobicContact CZ-CD1 4.15Å; F181-F202 AromaticContact CZ-CE1 3.46Å; F181-F202 HydrophobicContact CZ-CE1 3.46Å; F181-F202 VanDerWaalsContact CZ-CE1 3.46Å; F181-F202 HydrophobicContact CZ-CE2 4.39Å; F181-F202 AromaticContact CZ-CZ 3.6Å; F181-F202 HydrophobicContact CZ-CZ 3.6Å; F181-A250 HydrophobicContact CD1-CB 3.98Å; F181-A250 HydrophobicContact CE1-CB 3.9Å
182	T	99	Very high	98.9	Very high	7 Å²	7	31.4 Å²	31.4	4%	0.043	17%	0.165	C	C	.	.	H	α-helix	trans	-64.9	-40.6	177.4	-64.2	0	0	0	0	111.9	A178 D179 A185 D186 A249 A250 R253	A178-T182 WeakPolarHBondContact O-CB 3.33Å; A178-T182 PolarHBondContact O-N 2.9Å; A178-T182 VanDerWaalsContact O-N 3.08Å; A178-T182 PolarHBondContact O-OG1 2.84Å; D179-T182 PolarHBondContact O-N 3.23Å; D179-T182 VanDerWaalsContact O-N 3.12Å; T182-A185 PolarHBondContact O-N 3.46Å; T182-D186 VanDerWaalsContact O-CB 3.26Å; T182-D186 WeakPolarHBondContact O-CB 3.36Å; T182-D186 PolarHBondContact O-N 2.87Å; T182-A249 VanDerWaalsContact OG1-CB 3.29Å; T182-A249 WeakPolarHBondContact OG1-CB 3.37Å; T182-A250 PolarHBondContact OG1-N 2.95Å; T182-R253 HydrophobicContact CG2-CB 3.79Å; T182-R253 HydrophobicContact CG2-CG 4.12Å
183	E	98.9	Very high	98.9	Very high	101 Å²	101	31.3 Å²	31.3	47%	0.472	16%	0.164	S	C	.	.	H	α-helix	trans	-68.9	-38.3	177.3	-67.7	-52.9	120.7	0	0	112.2	D179 L180 D186 F187 R253	D179-E183 PolarHBondContact O-N 3.3Å; L180-E183 PolarHBondContact O-N 3.19Å; E183-D186 PolarHBondContact O-N 3.44Å; E183-F187 PolarHBondContact O-N 2.7Å; E183-F187 VanDerWaalsContact O-N 3.09Å; E183-R253 IonicContact OE1-CZ 3.73Å; E183-R253 VanDerWaalsContact OE1-CZ 3.28Å; E183-R253 IonicContact OE1-NH1 2.78Å; E183-R253 PolarHBondContact OE1-NH1 3.07Å; E183-R253 IonicContact OE1-NH2 3.91Å; E183-R253 PolarHBondContact OE1-NH2 3.21Å; E183-R253 IonicContact OE2-NH1 3.84Å
184	Y	98.9	Very high	98.9	Very high	3 Å²	3	34.8 Å²	34.8	1%	0.012	18%	0.183	C	C	.	.	H	α-helix	trans	-61.2	-48.1	169.9	164.4	-126	0	0	0	112	I117 W119 I122 F123 L156 L180 F181 D186 F187 C188	I117-Y184 HydrophobicContact CG2-CE2 4.43Å; I117-Y184 VanDerWaalsContact CG2-OH 3.24Å; I117-Y184 WeakPolarHBondContact CG2-OH 3.32Å; I117-Y184 PolarHBondContact O-OH 2.95Å; W119-Y184 HydrophobicContact CB-CD1 4.37Å; W119-Y184 HydrophobicContact CB-CE1 3.9Å; W119-Y184 HydrophobicContact CB-CE2 4.26Å; W119-Y184 AromaticContact CD1-CD1 4Å; W119-Y184 AromaticContact CD1-CD2 3.56Å; W119-Y184 AromaticContact CD1-CE2 3.9Å; W119-Y184 AromaticContact CD1-CG 3.62Å; W119-Y184 AromaticContact CD2-CD1 3.59Å; W119-Y184 HydrophobicContact CD2-CD1 3.59Å; W119-Y184 AromaticContact CD2-CE1 3.99Å; W119-Y184 HydrophobicContact CD2-CE1 3.99Å; W119-Y184 AromaticContact CD2-CG 3.89Å; W119-Y184 HydrophobicContact CD2-CG 3.89Å; W119-Y184 AromaticContact CE2-CD1 3.78Å; W119-Y184 AromaticContact CE2-CG 3.65Å; W119-Y184 HydrophobicContact CE3-CD1 4.01Å; W119-Y184 HydrophobicContact CE3-CE1 4.34Å; W119-Y184 AromaticContact CG-CD1 3.77Å; W119-Y184 HydrophobicContact CG-CD1 3.77Å; W119-Y184 HydrophobicContact CG-CD2 4.05Å; W119-Y184 AromaticContact CG-CE1 3.81Å; W119-Y184 HydrophobicContact CG-CE1 3.81Å; W119-Y184 HydrophobicContact CG-CE2 4.1Å; W119-Y184 AromaticContact CG-CG 3.89Å; W119-Y184 HydrophobicContact CG-CG 3.89Å; W119-Y184 AromaticContact CG-CZ 3.98Å; W119-Y184 HydrophobicContact CZ2-CD1 4.33Å; W119-Y184 HydrophobicContact CZ2-CG 4.25Å; W119-Y184 AromaticContact NE1-CD2 3.82Å; W119-Y184 AromaticContact NE1-CG 3.52Å; I122-Y184 HydrophobicContact CB-CE2 4.32Å; I122-Y184 HydrophobicContact CG1-CE2 4.25Å; F123-Y184 AromaticContact CD2-CD2 3.84Å; F123-Y184 HydrophobicContact CD2-CD2 3.84Å; F123-Y184 AromaticContact CE2-CD2 3.92Å; F123-Y184 HydrophobicContact CE2-CD2 3.92Å; L156-Y184 HydrophobicContact CB-CE1 4.06Å; L156-Y184 WeakPolarHBondContact O-CE1 3.33Å; L156-Y184 PolarHBondContact O-OH 3.4Å; L180-Y184 PolarHBondContact O-N 2.93Å; L180-Y184 VanDerWaalsContact O-N 3.15Å; F181-Y184 HydrophobicContact CD2-CD1 4.02Å; F181-Y184 HydrophobicContact CE2-CD1 4Å; F181-Y184 HydrophobicContact CE2-CE1 4.17Å; F181-Y184 PolarHBondContact O-N 3.03Å; Y184-D186 PolarHBondContact O-N 3.09Å; Y184-F187 WeakPolarHBondContact O-CB 3.44Å; Y184-F187 PolarHBondContact O-N 3.44Å; Y184-C188 WeakPolarHBondContact CE2-SG 3.45Å; Y184-C188 PolarHBondContact O-N 2.85Å; Y184-C188 VanDerWaalsContact O-N 3.07Å
185	A	98.9	Very high	98.9	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-60.8	-43.9	177.7	0	0	0	0	0	111.6	L156 F181 T182 F187 C188 F189 A250	L156-A185 HydrophobicContact CD1-CB 3.65Å; F181-A185 VanDerWaalsContact O-CB 3.26Å; F181-A185 WeakPolarHBondContact O-CB 3.45Å; F181-A185 PolarHBondContact O-N 3Å; T182-A185 PolarHBondContact O-N 3.46Å; A185-F187 VanDerWaalsContact C-N 3.32Å; A185-F187 PolarHBondContact O-N 2.74Å; A185-C188 PolarHBondContact O-N 2.93Å; A185-C188 VanDerWaalsContact O-N 3.13Å; A185-F189 HydrophobicContact CB-CD2 4.37Å; A185-F189 HydrophobicContact CB-CE2 3.71Å; A185-F189 HydrophobicContact CB-CZ 4.01Å; A185-F189 WeakPolarHBondContact O-CD2 3.34Å; A185-F189 WeakPolarHBondContact O-CG 3.34Å; A185-F189 PolarHBondContact O-N 2.84Å; A185-A250 HydrophobicContact CB-CB 3.92Å
186	D	98.9	Very high	98.9	Very high	7 Å²	7	32.6 Å²	32.6	4%	0.037	16%	0.157	C	C	.	.	H	α-helix	trans	-54.3	-47.7	175.2	-173.5	-60.6	0	0	0	111.3	T182 E183 Y184 C188 F189 K190 R253 K257 Y258	T182-D186 VanDerWaalsContact O-CB 3.26Å; T182-D186 WeakPolarHBondContact O-CB 3.36Å; T182-D186 PolarHBondContact O-N 2.87Å; E183-D186 PolarHBondContact O-N 3.44Å; Y184-D186 PolarHBondContact O-N 3.09Å; D186-C188 PolarHBondContact O-N 3.18Å; D186-F189 PolarHBondContact O-N 3.24Å; D186-K190 WeakPolarHBondContact O-CB 3.29Å; D186-K190 PolarHBondContact O-N 2.93Å; D186-R253 HydrophobicContact CB-CG 4.2Å; D186-R253 VanDerWaalsContact OD2-CD 3.28Å; D186-R253 WeakPolarHBondContact OD2-CD 3.37Å; D186-R253 WeakPolarHBondContact OD2-CG 3.22Å; D186-R253 IonicContact OD2-CZ 2.7Å; D186-R253 IonicContact OD2-NE 3.66Å; D186-R253 IonicContact OD2-NH1 2.8Å; D186-R253 PolarHBondContact OD2-NH1 3.18Å; D186-K257 VanDerWaalsContact CG-NZ 3.33Å; D186-K257 IonicContact OD1-NZ 3.04Å; D186-K257 PolarHBondContact OD1-NZ 2.93Å; D186-K257 WeakPolarHBondContact OD2-CD 3.44Å; D186-K257 IonicContact OD2-NZ 2.77Å; D186-K257 PolarHBondContact OD2-NZ 3.2Å; D186-Y258 HydrophobicContact CB-CE2 4.42Å; D186-Y258 PolarHBondContact O-OH 3.03Å; D186-Y258 PolarHBondContact OD1-OH 2.87Å; D186-Y258 PolarHBondContact OD2-OH 3.23Å
187	F	98.9	Very high	98.9	Very high	25 Å²	25	31.2 Å²	31.2	11%	0.11	15%	0.151	C	C	.	.	H	α-helix	trans	-59.6	-46.3	176.1	179.5	-88	0	0	0	112.1	I122 F123 V130 V135 E183 Y184 A185 K190 T191	I122-F187 HydrophobicContact CG2-CD1 3.64Å; I122-F187 HydrophobicContact CG2-CE1 3.52Å; I122-F187 HydrophobicContact CG2-CZ 4.44Å; F123-F187 HydrophobicContact CE2-CB 3.92Å; F123-F187 AromaticContact CE2-CD1 3.99Å; F123-F187 HydrophobicContact CE2-CD1 3.99Å; F123-F187 AromaticContact CE2-CG 3.91Å; F123-F187 HydrophobicContact CE2-CG 3.91Å; F123-F187 HydrophobicContact CZ-CB 3.83Å; F123-F187 HydrophobicContact CZ-CD1 4.14Å; F123-F187 AromaticContact CZ-CD2 3.97Å; F123-F187 HydrophobicContact CZ-CD2 3.97Å; F123-F187 AromaticContact CZ-CG 3.69Å; F123-F187 HydrophobicContact CZ-CG 3.69Å; V130-F187 HydrophobicContact CB-CE2 4.43Å; V130-F187 HydrophobicContact CB-CZ 4.46Å; V130-F187 HydrophobicContact CG1-CE1 4.27Å; V130-F187 HydrophobicContact CG1-CE2 3.99Å; V130-F187 HydrophobicContact CG1-CZ 3.56Å; V130-F187 HydrophobicContact CG2-CD2 4.04Å; V130-F187 HydrophobicContact CG2-CE2 3.56Å; V130-F187 HydrophobicContact CG2-CZ 3.98Å; V135-F187 HydrophobicContact CG2-CE1 3.79Å; V135-F187 HydrophobicContact CG2-CZ 3.75Å; E183-F187 PolarHBondContact O-N 2.7Å; E183-F187 VanDerWaalsContact O-N 3.09Å; Y184-F187 WeakPolarHBondContact O-CB 3.44Å; Y184-F187 PolarHBondContact O-N 3.44Å; A185-F187 VanDerWaalsContact C-N 3.32Å; A185-F187 PolarHBondContact O-N 2.74Å; F187-K190 PolarHBondContact O-N 3.17Å; F187-T191 HydrophobicContact CE1-CG2 4.43Å; F187-T191 WeakPolarHBondContact CE1-OG1 3.15Å; F187-T191 HydrophobicContact CZ-CG2 4.44Å; F187-T191 WeakPolarHBondContact CZ-OG1 3.41Å; F187-T191 VanDerWaalsContact O-CB 3.28Å; F187-T191 WeakPolarHBondContact O-CB 3.46Å; F187-T191 PolarHBondContact O-N 3.23Å; F187-T191 PolarHBondContact O-OG1 3.08Å
188	C	98.9	Very high	98.9	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-62.7	-44.3	178.2	-73.9	0	0	0	0	112.2	L156 Y184 A185 D186 T191 F192 W199	L156-C188 HydrophobicContact CD2-CB 3.59Å; Y184-C188 WeakPolarHBondContact CE2-SG 3.45Å; Y184-C188 PolarHBondContact O-N 2.85Å; Y184-C188 VanDerWaalsContact O-N 3.07Å; A185-C188 PolarHBondContact O-N 2.93Å; A185-C188 VanDerWaalsContact O-N 3.13Å; D186-C188 PolarHBondContact O-N 3.18Å; C188-T191 PolarHBondContact O-N 3.21Å; C188-F192 HydrophobicContact CB-CD2 4.19Å; C188-F192 HydrophobicContact CB-CE2 4.49Å; C188-F192 WeakPolarHBondContact O-CB 3.45Å; C188-F192 WeakPolarHBondContact O-CD2 3.49Å; C188-F192 PolarHBondContact O-N 3.37Å; C188-W199 HydrophobicContact CB-CH2 4.31Å; C188-W199 HydrophobicContact CB-CZ3 4.36Å
189	F	98.9	Very high	98.9	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-61.5	-46.6	176.7	-59.2	-38.1	0	0	0	111.5	L156 A185 D186 T191 G193 W199 Y254 Y258 Q262 V266	L156-F189 HydrophobicContact CD1-CE1 4.12Å; L156-F189 HydrophobicContact CD1-CZ 4.01Å; A185-F189 HydrophobicContact CB-CD2 4.37Å; A185-F189 HydrophobicContact CB-CE2 3.71Å; A185-F189 HydrophobicContact CB-CZ 4.01Å; A185-F189 WeakPolarHBondContact O-CD2 3.34Å; A185-F189 WeakPolarHBondContact O-CG 3.34Å; A185-F189 PolarHBondContact O-N 2.84Å; D186-F189 PolarHBondContact O-N 3.24Å; F189-T191 VanDerWaalsContact C-N 3.34Å; F189-T191 PolarHBondContact O-N 3.13Å; F189-G193 VanDerWaalsContact O-CA 3.25Å; F189-G193 WeakPolarHBondContact O-CA 3.5Å; F189-G193 PolarHBondContact O-N 3.42Å; F189-W199 HydrophobicContact CD1-CD2 4.06Å; F189-W199 AromaticContact CD1-CE2 3.84Å; F189-W199 HydrophobicContact CD1-CG 4.41Å; F189-W199 HydrophobicContact CD1-CZ2 4.06Å; F189-W199 HydrophobicContact CE1-CB 4.42Å; F189-W199 AromaticContact CE1-CD2 3.87Å; F189-W199 HydrophobicContact CE1-CD2 3.87Å; F189-W199 HydrophobicContact CE1-CE3 4.25Å; F189-W199 AromaticContact CE1-CG 3.95Å; F189-W199 HydrophobicContact CE1-CG 3.95Å; F189-Y254 HydrophobicContact CB-CD2 4.2Å; F189-Y254 HydrophobicContact CB-CE2 4.48Å; F189-Y254 AromaticContact CD1-CD2 3.66Å; F189-Y254 HydrophobicContact CD1-CD2 3.66Å; F189-Y254 HydrophobicContact CD1-CE2 4Å; F189-Y254 AromaticContact CD2-CD2 3.74Å; F189-Y254 HydrophobicContact CD2-CD2 3.74Å; F189-Y254 HydrophobicContact CD2-CG 4.47Å; F189-Y254 AromaticContact CE1-CD2 3.87Å; F189-Y254 HydrophobicContact CE1-CD2 3.87Å; F189-Y254 HydrophobicContact CE1-CE2 4.42Å; F189-Y254 AromaticContact CE2-CD2 3.96Å; F189-Y254 HydrophobicContact CE2-CD2 3.96Å; F189-Y254 HydrophobicContact CE2-CG 4.34Å; F189-Y254 AromaticContact CG-CD2 3.6Å; F189-Y254 HydrophobicContact CG-CD2 3.6Å; F189-Y254 HydrophobicContact CG-CE2 4.17Å; F189-Y254 HydrophobicContact CZ-CD2 4.02Å; F189-Y254 HydrophobicContact CZ-CG 4.41Å; F189-Y258 HydrophobicContact CB-CD1 4.28Å; F189-Y258 HydrophobicContact CB-CD2 3.62Å; F189-Y258 HydrophobicContact CB-CE1 4.48Å; F189-Y258 HydrophobicContact CB-CE2 3.83Å; F189-Y258 HydrophobicContact CB-CG 3.87Å; F189-Y258 AromaticContact CD2-CD2 3.95Å; F189-Y258 HydrophobicContact CD2-CD2 3.95Å; F189-Y258 HydrophobicContact CD2-CE2 4.21Å; F189-Y258 HydrophobicContact CG-CD2 4.2Å; F189-Q262 PolarHBondContact O-NE2 2.9Å; F189-V266 HydrophobicContact CE1-CG2 4.34Å; F189-V266 HydrophobicContact CZ-CG2 4.3Å
190	K	98.9	Very high	98.9	Very high	119 Å²	119	28.8 Å²	28.8	52%	0.517	14%	0.135	S	C	.	.	H	α-helix	trans	-58	-46	176.3	-175.3	173.1	61.1	-176.6	0	112.2	D186 F187 Y258	D186-K190 WeakPolarHBondContact O-CB 3.29Å; D186-K190 PolarHBondContact O-N 2.93Å; F187-K190 PolarHBondContact O-N 3.17Å; K190-Y258 HydrophobicContact CB-CE1 3.94Å
191	T	98.9	Very high	98.9	Very high	34 Å²	34	28.2 Å²	28.2	21%	0.209	13%	0.132	C	C	.	.	H	α-helix	trans	-81.1	-38.5	-168.6	-52.8	0	0	0	0	112.3	V135 F187 C188 F189 R195	V135-T191 HydrophobicContact CG1-CG2 3.75Å; F187-T191 HydrophobicContact CE1-CG2 4.43Å; F187-T191 WeakPolarHBondContact CE1-OG1 3.15Å; F187-T191 HydrophobicContact CZ-CG2 4.44Å; F187-T191 WeakPolarHBondContact CZ-OG1 3.41Å; F187-T191 VanDerWaalsContact O-CB 3.28Å; F187-T191 WeakPolarHBondContact O-CB 3.46Å; F187-T191 PolarHBondContact O-N 3.23Å; F187-T191 PolarHBondContact O-OG1 3.08Å; C188-T191 PolarHBondContact O-N 3.21Å; F189-T191 VanDerWaalsContact C-N 3.34Å; F189-T191 PolarHBondContact O-N 3.13Å; T191-R195 PolarHBondContact O-NH2 3.01Å; T191-R195 VanDerWaalsContact O-NH2 3.07Å
192	F	98.9	Very high	98.9	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-116.5	-20.7	-171.1	-48.6	-61.8	0	0	0	113.9	I117 I122 V135 I142 C188 N194 R195 V196 W199	I117-F192 HydrophobicContact CD1-CD2 3.86Å; I117-F192 HydrophobicContact CD1-CE2 3.83Å; I122-F192 HydrophobicContact CD1-CZ 4.39Å; V135-F192 HydrophobicContact CG1-CE1 4.31Å; V135-F192 HydrophobicContact CG1-CZ 4.28Å; I142-F192 HydrophobicContact CD1-CB 3.94Å; I142-F192 HydrophobicContact CD1-CD1 3.81Å; I142-F192 HydrophobicContact CD1-CG 3.94Å; C188-F192 HydrophobicContact CB-CD2 4.19Å; C188-F192 HydrophobicContact CB-CE2 4.49Å; C188-F192 WeakPolarHBondContact O-CB 3.45Å; C188-F192 WeakPolarHBondContact O-CD2 3.49Å; C188-F192 PolarHBondContact O-N 3.37Å; F192-N194 PolarHBondContact O-N 2.99Å; F192-N194 VanDerWaalsContact O-N 3.12Å; F192-R195 PolarHBondContact O-N 2.66Å; F192-V196 HydrophobicContact CB-CG2 4.11Å; F192-V196 PolarHBondContact O-N 3.41Å; F192-W199 HydrophobicContact CB-CH2 3.93Å; F192-W199 HydrophobicContact CB-CZ2 4.28Å; F192-W199 HydrophobicContact CD2-CH2 4.37Å
193	G	98.9	Very high	98.9	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-13.1	-169.1	0	0	0	0	0	116.1	F189 R195 K197 Q262	F189-G193 VanDerWaalsContact O-CA 3.25Å; F189-G193 WeakPolarHBondContact O-CA 3.5Å; F189-G193 PolarHBondContact O-N 3.42Å; G193-R195 PolarHBondContact O-N 3.49Å; G193-K197 PolarHBondContact O-NZ 3.22Å; G193-Q262 VanDerWaalsContact C-CD 3.4Å; G193-Q262 VanDerWaalsContact CA-OE1 3.32Å
194	N	98.7	Very high	98.9	Very high	114 Å²	114	24 Å²	24	61%	0.61	11%	0.112	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-26.8	167.5	-70.7	-8.3	0	0	0	112	F192 K197	F192-N194 PolarHBondContact O-N 2.99Å; F192-N194 VanDerWaalsContact O-N 3.12Å; N194-K197 VanDerWaalsContact O-CE 3.3Å; N194-K197 WeakPolarHBondContact O-CE 3.37Å; N194-K197 PolarHBondContact O-NZ 3.18Å
195	R	98.9	Very high	98.9	Very high	72 Å²	72	23.9 Å²	23.9	27%	0.272	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.2	-39.1	-179.6	-76.6	162.4	-70.4	163.8	3.1	112.8	N139 I142 N143 L146 T191 F192 G193	N139-R195 VanDerWaalsContact OD1-CZ 3.25Å; N139-R195 PolarHBondContact OD1-NH1 2.95Å; N139-R195 PolarHBondContact OD1-NH2 2.92Å; I142-R195 HydrophobicContact CG2-CB 3.93Å; N143-R195 WeakPolarHBondContact OD1-CD 3.33Å; N143-R195 PolarHBondContact OD1-NH1 3.34Å; L146-R195 HydrophobicContact CD1-CB 3.75Å; L146-R195 HydrophobicContact CD1-CG 3.93Å; T191-R195 PolarHBondContact O-NH2 3.01Å; T191-R195 VanDerWaalsContact O-NH2 3.07Å; F192-R195 PolarHBondContact O-N 2.66Å; G193-R195 PolarHBondContact O-N 3.49Å
196	V	98.9	Very high	98.9	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	11%	0.114	C	C	.	.			trans	-87.1	119.3	179.3	-179.6	0	0	0	0	110.2	I142 P152 V154 F192 W199	I142-V196 HydrophobicContact CD1-CG2 3.67Å; I142-V196 HydrophobicContact CG1-CG2 4.08Å; I142-V196 HydrophobicContact CG2-CG2 4.03Å; P152-V196 HydrophobicContact CB-CG2 4.43Å; P152-V196 HydrophobicContact CG-CG2 4.17Å; V154-V196 HydrophobicContact CB-CG1 3.95Å; V154-V196 HydrophobicContact CG2-CB 4.44Å; V154-V196 HydrophobicContact CG2-CG1 3.53Å; V154-V196 HydrophobicContact CG2-CG2 3.99Å; F192-V196 HydrophobicContact CB-CG2 4.11Å; F192-V196 PolarHBondContact O-N 3.41Å; V196-W199 HydrophobicContact CB-CH2 4.03Å; V196-W199 HydrophobicContact CB-CZ2 3.48Å; V196-W199 VanDerWaalsContact CB-CZ2 3.48Å; V196-W199 HydrophobicContact CG1-CD2 3.77Å; V196-W199 VanDerWaalsContact CG1-CE2 3.4Å; V196-W199 HydrophobicContact CG1-CE3 4.15Å; V196-W199 HydrophobicContact CG1-CG 4.39Å; V196-W199 HydrophobicContact CG1-CH2 3.95Å; V196-W199 HydrophobicContact CG1-CZ2 3.54Å; V196-W199 HydrophobicContact CG1-CZ3 4.22Å; V196-W199 HydrophobicContact CG2-CH2 4.39Å; V196-W199 HydrophobicContact CG2-CZ2 4.28Å; V196-W199 PolarHBondContact O-NE1 3.4Å; V196-W199 VanDerWaalsContact O-NE1 3.13Å
197	K	98.9	Very high	98.9	Very high	64 Å²	64	25.8 Å²	25.8	28%	0.278	12%	0.12	S	C	.	.			trans	-111.5	-7.1	-177.6	-53.6	-56.8	176.4	-172.2	0	114.3	G193 N194 Q262 G264 K265	G193-K197 PolarHBondContact O-NZ 3.22Å; N194-K197 VanDerWaalsContact O-CE 3.3Å; N194-K197 WeakPolarHBondContact O-CE 3.37Å; N194-K197 PolarHBondContact O-NZ 3.18Å; K197-Q262 VanDerWaalsContact CD-O 3.26Å; K197-Q262 WeakPolarHBondContact CD-O 3.25Å; K197-Q262 WeakPolarHBondContact CE-O 3.24Å; K197-Q262 PolarHBondContact NZ-O 3.49Å; K197-G264 CarbonylContact O-C 3.45Å; K197-G264 VanDerWaalsContact O-CA 3.26Å; K197-G264 WeakPolarHBondContact O-CA 3.4Å; K197-K265 PolarHBondContact O-N 3.18Å
198	H	99	Very high	98.9	Very high	47 Å²	47	25.2 Å²	25.2	22%	0.218	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	106.3	-179	-54.2	96.5	0	0	0	109.4	Y153 V154 Y337	Y153-H198 WeakPolarHBondContact CA-O 3.29Å; Y153-H198 HydrophobicContact CD1-CB 3.51Å; Y153-H198 HydrophobicContact CD2-CB 3.92Å; Y153-H198 HydrophobicContact CE1-CB 3.58Å; Y153-H198 AromaticContact CE1-CD2 3.88Å; Y153-H198 AromaticContact CE1-CG 3.72Å; Y153-H198 HydrophobicContact CE2-CB 3.98Å; Y153-H198 AromaticContact CE2-CG 3.69Å; Y153-H198 AromaticContact CE2-ND1 3.66Å; Y153-H198 HydrophobicContact CG-CB 3.68Å; Y153-H198 AromaticContact CZ-CD2 3.62Å; Y153-H198 AromaticContact CZ-CG 3.48Å; Y153-H198 VanDerWaalsContact CZ-CG 3.48Å; Y153-H198 AromaticContact CZ-ND1 3.85Å; V154-H198 PolarHBondContact N-O 3.08Å; H198-Y337 VanDerWaalsContact CA-OH 3.26Å; H198-Y337 WeakPolarHBondContact CA-OH 3.44Å
199	W	99	Very high	98.9	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	152.8	-179.2	-61.4	94.8	0	0	0	111.4	I117 V154 L156 C188 F189 F192 V196 K265 V266 G267 Y337	I117-W199 HydrophobicContact CD1-CZ3 4.34Å; V154-W199 HydrophobicContact CB-CE3 3.77Å; V154-W199 HydrophobicContact CB-CZ3 3.8Å; V154-W199 HydrophobicContact CG1-CE3 3.95Å; V154-W199 HydrophobicContact CG1-CZ3 3.59Å; V154-W199 CarbonylContact O-C 3.54Å; V154-W199 WeakPolarHBondContact O-CA 3.19Å; L156-W199 HydrophobicContact CD2-CE3 3.88Å; L156-W199 HydrophobicContact CD2-CZ3 3.65Å; L156-W199 HydrophobicContact CG-CE3 4.23Å; L156-W199 HydrophobicContact CG-CZ3 4.49Å; C188-W199 HydrophobicContact CB-CH2 4.31Å; C188-W199 HydrophobicContact CB-CZ3 4.36Å; F189-W199 HydrophobicContact CD1-CD2 4.06Å; F189-W199 AromaticContact CD1-CE2 3.84Å; F189-W199 HydrophobicContact CD1-CG 4.41Å; F189-W199 HydrophobicContact CD1-CZ2 4.06Å; F189-W199 HydrophobicContact CE1-CB 4.42Å; F189-W199 AromaticContact CE1-CD2 3.87Å; F189-W199 HydrophobicContact CE1-CD2 3.87Å; F189-W199 HydrophobicContact CE1-CE3 4.25Å; F189-W199 AromaticContact CE1-CG 3.95Å; F189-W199 HydrophobicContact CE1-CG 3.95Å; F192-W199 HydrophobicContact CB-CH2 3.93Å; F192-W199 HydrophobicContact CB-CZ2 4.28Å; F192-W199 HydrophobicContact CD2-CH2 4.37Å; V196-W199 HydrophobicContact CB-CH2 4.03Å; V196-W199 HydrophobicContact CB-CZ2 3.48Å; V196-W199 VanDerWaalsContact CB-CZ2 3.48Å; V196-W199 HydrophobicContact CG1-CD2 3.77Å; V196-W199 VanDerWaalsContact CG1-CE2 3.4Å; V196-W199 HydrophobicContact CG1-CE3 4.15Å; V196-W199 HydrophobicContact CG1-CG 4.39Å; V196-W199 HydrophobicContact CG1-CH2 3.95Å; V196-W199 HydrophobicContact CG1-CZ2 3.54Å; V196-W199 HydrophobicContact CG1-CZ3 4.22Å; V196-W199 HydrophobicContact CG2-CH2 4.39Å; V196-W199 HydrophobicContact CG2-CZ2 4.28Å; V196-W199 PolarHBondContact O-NE1 3.4Å; V196-W199 VanDerWaalsContact O-NE1 3.13Å; W199-K265 PolarHBondContact N-O 3.29Å; W199-V266 HydrophobicContact CB-CB 4.35Å; W199-V266 HydrophobicContact CB-CG1 4.19Å; W199-V266 HydrophobicContact CB-CG2 4.04Å; W199-V266 HydrophobicContact CG-CG2 4.46Å; W199-G267 PolarHBondContact O-N 3.07Å; W199-Y337 PolarHBondContact N-OH 3.12Å; W199-Y337 WeakPolarHBondContact O-CE2 3.47Å; W199-Y337 PolarHBondContact O-OH 2.92Å
200	F	99	Very high	98.9	Very high	0 Å²	0	26 Å²	26	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	140.7	160.5	-60.9	-80.4	0	0	0	108.9	Y153 V154 N155 L156 G267 V269 Y337 T413	Y153-F200 AromaticContact CD1-CE2 3.79Å; Y153-F200 HydrophobicContact CD1-CE2 3.79Å; Y153-F200 HydrophobicContact CD1-CZ 4.14Å; V154-F200 PolarHBondContact O-N 3.39Å; N155-F200 CarbonylContact C-O 3.56Å; N155-F200 WeakPolarHBondContact CA-O 3.25Å; N155-F200 VanDerWaalsContact OD1-CB 3.26Å; N155-F200 WeakPolarHBondContact OD1-CB 3.47Å; N155-F200 WeakPolarHBondContact OD1-CD2 3.43Å; L156-F200 PolarHBondContact N-O 3.4Å; F200-G267 VanDerWaalsContact CA-O 3.3Å; F200-G267 WeakPolarHBondContact CA-O 3.13Å; F200-V269 HydrophobicContact CB-CG2 3.96Å; F200-V269 HydrophobicContact CD1-CG2 3.43Å; F200-V269 VanDerWaalsContact CD1-CG2 3.43Å; F200-V269 HydrophobicContact CD2-CG2 4.05Å; F200-V269 HydrophobicContact CE1-CG2 3.82Å; F200-V269 HydrophobicContact CE2-CG2 4.38Å; F200-V269 HydrophobicContact CG-CG2 3.56Å; F200-V269 HydrophobicContact CZ-CG2 4.3Å; F200-Y337 HydrophobicContact CD1-CD2 4.35Å; F200-Y337 AromaticContact CD1-CE2 3.87Å; F200-Y337 HydrophobicContact CD1-CE2 3.87Å; F200-Y337 AromaticContact CE1-CD2 3.63Å; F200-Y337 HydrophobicContact CE1-CD2 3.63Å; F200-Y337 AromaticContact CE1-CE2 3.38Å; F200-Y337 HydrophobicContact CE1-CE2 3.38Å; F200-Y337 HydrophobicContact CZ-CD2 4.19Å; F200-Y337 AromaticContact CZ-CE2 3.76Å; F200-Y337 HydrophobicContact CZ-CE2 3.76Å; F200-T413 HydrophobicContact CE1-CG2 3.88Å; F200-T413 HydrophobicContact CE2-CG2 3.94Å; F200-T413 HydrophobicContact CZ-CG2 3.39Å
201	T	98.9	Very high	98.9	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	-66.5	174.1	57	0	0	0	0	110.9	L156 Y157 F181 H247 A250 V266 G267	L156-T201 PolarHBondContact N-O 2.87Å; Y157-T201 PolarHBondContact N-O 3.09Å; F181-T201 HydrophobicContact CE1-CG2 4.03Å; F181-T201 HydrophobicContact CZ-CG2 4.44Å; T201-H247 WeakPolarHBondContact CG2-ND1 3.39Å; T201-H247 PolarHBondContact OG1-ND1 3.07Å; T201-A250 HydrophobicContact CG2-CB 4.4Å; T201-V266 HydrophobicContact CG2-CG1 3.9Å; T201-G267 PolarHBondContact N-O 3.48Å
202	F	98.9	Very high	98.9	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	155	-170.9	-56.8	-64	0	0	0	111.9	N155 Y157 W172 F181 F243 H247 I268 V269	N155-F202 PolarHBondContact ND2-O 2.97Å; Y157-F202 AromaticContact CD1-CD1 3.74Å; Y157-F202 HydrophobicContact CD1-CD1 3.74Å; Y157-F202 HydrophobicContact CD1-CE1 4.46Å; Y157-F202 AromaticContact CG-CD1 3.93Å; Y157-F202 HydrophobicContact CG-CD1 3.93Å; Y157-F202 HydrophobicContact CG-CE1 4.35Å; W172-F202 HydrophobicContact CH2-CD1 4.45Å; W172-F202 AromaticContact CH2-CE1 3.48Å; W172-F202 HydrophobicContact CH2-CE1 3.48Å; W172-F202 VanDerWaalsContact CH2-CE1 3.48Å; W172-F202 AromaticContact CH2-CZ 3.95Å; W172-F202 HydrophobicContact CH2-CZ 3.95Å; W172-F202 HydrophobicContact CZ2-CE1 4.05Å; W172-F202 HydrophobicContact CZ3-CE1 4.15Å; W172-F202 HydrophobicContact CZ3-CZ 4.21Å; F181-F202 HydrophobicContact CD1-CE1 4.06Å; F181-F202 HydrophobicContact CD1-CE2 4.36Å; F181-F202 AromaticContact CD1-CZ 3.49Å; F181-F202 HydrophobicContact CD1-CZ 3.49Å; F181-F202 VanDerWaalsContact CD1-CZ 3.49Å; F181-F202 AromaticContact CD2-CE1 3.75Å; F181-F202 HydrophobicContact CD2-CE1 3.75Å; F181-F202 HydrophobicContact CD2-CZ 4.03Å; F181-F202 AromaticContact CE1-CE1 3.78Å; F181-F202 HydrophobicContact CE1-CE1 3.78Å; F181-F202 HydrophobicContact CE1-CE2 4.02Å; F181-F202 AromaticContact CE1-CZ 3.38Å; F181-F202 HydrophobicContact CE1-CZ 3.38Å; F181-F202 HydrophobicContact CE2-CD1 4.27Å; F181-F202 AromaticContact CE2-CE1 3.46Å; F181-F202 HydrophobicContact CE2-CE1 3.46Å; F181-F202 VanDerWaalsContact CE2-CE1 3.46Å; F181-F202 AromaticContact CE2-CZ 3.93Å; F181-F202 HydrophobicContact CE2-CZ 3.93Å; F181-F202 HydrophobicContact CG-CE1 4.04Å; F181-F202 AromaticContact CG-CZ 3.82Å; F181-F202 HydrophobicContact CG-CZ 3.82Å; F181-F202 HydrophobicContact CZ-CD1 4.15Å; F181-F202 AromaticContact CZ-CE1 3.46Å; F181-F202 HydrophobicContact CZ-CE1 3.46Å; F181-F202 VanDerWaalsContact CZ-CE1 3.46Å; F181-F202 HydrophobicContact CZ-CE2 4.39Å; F181-F202 AromaticContact CZ-CZ 3.6Å; F181-F202 HydrophobicContact CZ-CZ 3.6Å; F202-F243 HydrophobicContact CB-CD1 4.41Å; F202-F243 AromaticContact CD1-CD1 3.52Å; F202-F243 HydrophobicContact CD1-CD1 3.52Å; F202-F243 AromaticContact CD1-CE1 3.48Å; F202-F243 HydrophobicContact CD1-CE1 3.48Å; F202-F243 VanDerWaalsContact CD1-CE1 3.48Å; F202-F243 AromaticContact CD2-CD1 3.78Å; F202-F243 HydrophobicContact CD2-CD1 3.78Å; F202-F243 AromaticContact CE1-CD1 3.62Å; F202-F243 HydrophobicContact CE1-CD1 3.62Å; F202-F243 AromaticContact CE1-CE1 3.7Å; F202-F243 HydrophobicContact CE1-CE1 3.7Å; F202-F243 AromaticContact CE2-CD1 3.86Å; F202-F243 HydrophobicContact CE2-CD1 3.86Å; F202-F243 VanDerWaalsContact CE2-O 3.25Å; F202-F243 WeakPolarHBondContact CE2-O 3.4Å; F202-F243 AromaticContact CG-CD1 3.62Å; F202-F243 HydrophobicContact CG-CD1 3.62Å; F202-F243 AromaticContact CG-CE1 3.97Å; F202-F243 HydrophobicContact CG-CE1 3.97Å; F202-F243 AromaticContact CZ-CD1 3.79Å; F202-F243 HydrophobicContact CZ-CD1 3.79Å; F202-F243 HydrophobicContact CZ-CE1 4.32Å; F202-H247 HydrophobicContact CD2-CB 4.09Å; F202-H247 HydrophobicContact CE2-CB 3.8Å; F202-I268 HydrophobicContact CB-CD1 4.18Å; F202-I268 HydrophobicContact CB-CG1 4.14Å; F202-I268 HydrophobicContact CD2-CD1 3.96Å; F202-V269 WeakPolarHBondContact O-CB 3.25Å; F202-V269 PolarHBondContact O-N 3.14Å
203	N	98.9	Very high	98.9	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	124.8	164.7	-170.9	78.2	0	0	0	109.7	R114 N155 Y157 H158 Y159 V269 N341 E414	R114-N203 PolarHBondContact NH2-OD1 3.34Å; N155-N203 PolarHBondContact ND2-N 3.46Å; Y157-N203 PolarHBondContact O-N 2.88Å; H158-N203 HydrophobicContact CB-CB 4.23Å; H158-N203 PolarHBondContact CE1-ND2 2.9Å; H158-N203 PolarHBondContact NE2-ND2 2.92Å; H158-N203 VanDerWaalsContact NE2-ND2 3.14Å; Y159-N203 WeakPolarHBondContact CE1-O 3.25Å; Y159-N203 PolarHBondContact OH-ND2 3.2Å; N203-V269 WeakPolarHBondContact OD1-CG1 3.32Å; N203-N341 PolarHBondContact OD1-ND2 3.44Å; N203-E414 PolarHBondContact OD1-OE1 2.86Å
204	E	98.9	Very high	98.9	Very high	20 Å²	20	21 Å²	21	9%	0.093	10%	0.1	C	C	.	.			trans	43.6	58.1	166.9	-60.4	-179.3	146.9	0	0	113.5	Y159 R206 I207 V208 V269 D271 N341	Y159-E204 HydrophobicContact CE1-CB 4.27Å; Y159-E204 WeakPolarHBondContact OH-CB 3.35Å; Y159-E204 PolarHBondContact OH-OE2 2.82Å; E204-R206 PolarHBondContact O-N 3.45Å; E204-I207 HydrophobicContact CB-CB 4.04Å; E204-I207 HydrophobicContact CB-CG1 3.87Å; E204-I207 WeakPolarHBondContact O-CB 3.44Å; E204-I207 PolarHBondContact O-N 3.06Å; E204-V208 PolarHBondContact O-N 3.44Å; E204-V269 PolarHBondContact N-O 3.35Å; E204-D271 HydrophobicContact CB-CB 4.37Å; E204-D271 HydrophobicContact CG-CB 3.77Å; E204-D271 WeakPolarHBondContact OE1-CB 3.37Å; E204-N341 HydrophobicContact CG-CB 4.34Å; E204-N341 VanDerWaalsContact CG-ND2 3.32Å; E204-N341 WeakPolarHBondContact CG-ND2 3.49Å; E204-N341 WeakPolarHBondContact OE1-CB 3.14Å; E204-N341 PolarHBondContact OE1-ND2 3.1Å
205	P	98.9	Very high	98.9	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-57.3	-24.8	179.2	24.9	-35.3	0	0	0	112.7	V208 A209 F243 I268 V269 L270 Y299	P205-V208 PolarHBondContact O-N 2.76Å; P205-A209 PolarHBondContact O-N 2.75Å; P205-F243 HydrophobicContact CB-CB 4.01Å; P205-F243 HydrophobicContact CB-CD1 4.29Å; P205-F243 HydrophobicContact CB-CD2 3.63Å; P205-F243 HydrophobicContact CB-CE2 4.13Å; P205-F243 HydrophobicContact CB-CG 3.73Å; P205-I268 HydrophobicContact CG-CD1 4.4Å; P205-V269 WeakPolarHBondContact CD-O 3.2Å; P205-L270 HydrophobicContact CG-CD2 3.88Å; P205-Y299 VanDerWaalsContact C-OH 3.24Å; P205-Y299 HydrophobicContact CB-CD1 4.4Å; P205-Y299 HydrophobicContact CB-CE1 3.62Å; P205-Y299 HydrophobicContact CG-CD1 3.71Å; P205-Y299 HydrophobicContact CG-CE1 3.4Å; P205-Y299 HydrophobicContact CG-CE2 4.48Å; P205-Y299 HydrophobicContact CG-CG 4.37Å; P205-Y299 PolarHBondContact O-OH 2.84Å
206	R	98.9	Very high	98.9	Very high	16 Å²	16	16.6 Å²	16.6	6%	0.06	8%	0.08	C	C	.	.	H	α-helix	trans	-62.2	-42	172.2	-162.6	-163.2	67.1	73.3	2.9	112.1	E204 V208 A209 L210 D271 H295 W298 Y299	E204-R206 PolarHBondContact O-N 3.45Å; R206-V208 VanDerWaalsContact C-N 3.35Å; R206-A209 PolarHBondContact O-N 3.26Å; R206-L210 VanDerWaalsContact O-CB 3.23Å; R206-L210 WeakPolarHBondContact O-CB 3.46Å; R206-L210 PolarHBondContact O-N 2.82Å; R206-D271 WeakPolarHBondContact CB-OD1 3.32Å; R206-D271 IonicContact CZ-OD2 3.58Å; R206-D271 IonicContact NE-OD1 2.85Å; R206-D271 IonicContact NE-OD2 3.05Å; R206-D271 PolarHBondContact NE-OD2 2.87Å; R206-D271 IonicContact NH2-OD2 3.52Å; R206-D271 PolarHBondContact NH2-OD2 3.19Å; R206-H295 VanDerWaalsContact CD-CD2 3.47Å; R206-H295 WeakPolarHBondContact CD-CD2 3.33Å; R206-H295 WeakPolarHBondContact CD-O 3.45Å; R206-H295 PolarHBondContact NE-CD2 3.47Å; R206-H295 PolarHBondContact NE-NE2 3.15Å; R206-W298 HydrophobicContact CG-CE3 3.96Å; R206-W298 HydrophobicContact CG-CZ3 3.96Å; R206-Y299 WeakPolarHBondContact CA-OH 3.49Å; R206-Y299 HydrophobicContact CB-CD2 4.44Å; R206-Y299 HydrophobicContact CB-CE2 3.59Å; R206-Y299 HydrophobicContact CG-CE2 4.05Å; R206-Y299 PolarHBondContact N-OH 2.89Å
207	I	98.8	Very high	98.9	Very high	31 Å²	31	19.1 Å²	19.1	16%	0.159	10%	0.096	C	C	.	.	H	α-helix	trans	-67.1	-38.7	177.8	-64.3	-69.9	0	0	0	110.5	Y159 E204 L210 L211	Y159-I207 WeakPolarHBondContact OH-CB 3.48Å; Y159-I207 WeakPolarHBondContact OH-CG2 3.4Å; E204-I207 HydrophobicContact CB-CB 4.04Å; E204-I207 HydrophobicContact CB-CG1 3.87Å; E204-I207 WeakPolarHBondContact O-CB 3.44Å; E204-I207 PolarHBondContact O-N 3.06Å; I207-L210 PolarHBondContact O-N 3.34Å; I207-L211 HydrophobicContact CG2-CD1 3.69Å; I207-L211 HydrophobicContact CG2-CG 4.08Å; I207-L211 WeakPolarHBondContact O-CB 3.17Å; I207-L211 PolarHBondContact O-N 3.39Å
208	V	98.9	Very high	98.9	Very high	12 Å²	12	16.6 Å²	16.6	7%	0.073	9%	0.085	C	C	.	.	H	α-helix	trans	-59.4	-50.3	172.4	-178.3	0	0	0	0	110.6	Y159 E204 P205 R206 G212 Y213 V239 F243	Y159-V208 HydrophobicContact CD1-CG2 3.35Å; Y159-V208 HydrophobicContact CE1-CG2 3.51Å; Y159-V208 HydrophobicContact CG-CG2 4.49Å; E204-V208 PolarHBondContact O-N 3.44Å; P205-V208 PolarHBondContact O-N 2.76Å; R206-V208 VanDerWaalsContact C-N 3.35Å; V208-G212 VanDerWaalsContact O-CA 3.25Å; V208-G212 WeakPolarHBondContact O-CA 3.3Å; V208-G212 PolarHBondContact O-N 2.72Å; V208-Y213 HydrophobicContact CG1-CE2 4.17Å; V208-V239 HydrophobicContact CG1-CG1 4.31Å; V208-F243 HydrophobicContact CB-CE2 3.82Å; V208-F243 HydrophobicContact CB-CZ 4.14Å; V208-F243 HydrophobicContact CG1-CE2 3.7Å; V208-F243 HydrophobicContact CG1-CZ 3.93Å; V208-F243 HydrophobicContact CG2-CE2 4.25Å; V208-F243 HydrophobicContact CG2-CZ 4.1Å
209	A	98.9	Very high	98.9	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-62.3	-46.6	179.1	0	0	0	0	0	112.2	P205 R206 Y213 D214 P236 V239 W298	P205-A209 PolarHBondContact O-N 2.75Å; R206-A209 PolarHBondContact O-N 3.26Å; A209-Y213 CarbonylContact O-C 3.59Å; A209-Y213 WeakPolarHBondContact O-CA 3.41Å; A209-Y213 WeakPolarHBondContact O-CB 3.47Å; A209-Y213 PolarHBondContact O-N 2.82Å; A209-Y213 VanDerWaalsContact O-N 3.15Å; A209-D214 PolarHBondContact O-N 2.74Å; A209-D214 VanDerWaalsContact O-N 3.1Å; A209-P236 HydrophobicContact CB-CB 4.14Å; A209-V239 HydrophobicContact CB-CB 4.5Å; A209-V239 HydrophobicContact CB-CG1 4.15Å; A209-W298 HydrophobicContact CB-CH2 3.85Å; A209-W298 HydrophobicContact CB-CZ3 4.19Å
210	L	98.8	Very high	98.8	Very high	18 Å²	18	16 Å²	16	9%	0.094	9%	0.086	C	C	.	.	I	π-helix	trans	-66.5	-58	-178.8	175.1	66.3	0	0	0	111.7	R206 I207 D214 Q215 Y361 S362	R206-L210 VanDerWaalsContact O-CB 3.23Å; R206-L210 WeakPolarHBondContact O-CB 3.46Å; R206-L210 PolarHBondContact O-N 2.82Å; I207-L210 PolarHBondContact O-N 3.34Å; L210-D214 HydrophobicContact CD1-CB 4.14Å; L210-D214 WeakPolarHBondContact O-CA 3.45Å; L210-D214 VanDerWaalsContact O-CB 3.29Å; L210-D214 WeakPolarHBondContact O-CB 3.37Å; L210-D214 PolarHBondContact O-N 3.12Å; L210-Q215 HydrophobicContact CD1-CG 4.11Å; L210-Q215 HydrophobicContact CG-CG 4.48Å; L210-Q215 PolarHBondContact O-N 2.99Å; L210-Y361 HydrophobicContact CD1-CD1 4.03Å; L210-Y361 HydrophobicContact CD1-CE1 4.18Å; L210-S362 VanDerWaalsContact CD1-OG 3.28Å; L210-S362 WeakPolarHBondContact CD1-OG 3.48Å
211	L	98.8	Very high	98.8	Very high	35 Å²	35	19.6 Å²	19.6	18%	0.183	10%	0.101	C	C	.	.	I	π-helix	trans	-81.5	-29.9	-171.8	-57.5	-174.6	0	0	0	112	I207 G216 T217 N218	I207-L211 HydrophobicContact CG2-CD1 3.69Å; I207-L211 HydrophobicContact CG2-CG 4.08Å; I207-L211 WeakPolarHBondContact O-CB 3.17Å; I207-L211 PolarHBondContact O-N 3.39Å; L211-G216 CarbonylContact O-C 3.57Å; L211-G216 WeakPolarHBondContact O-CA 3.5Å; L211-G216 PolarHBondContact O-N 3.37Å; L211-T217 PolarHBondContact O-N 3.43Å; L211-N218 HydrophobicContact CB-CB 3.69Å; L211-N218 PolarHBondContact O-N 3.02Å
212	G	98.8	Very high	98.8	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.112	C	C	.	.	I	π-helix	trans	-82.9	-31.6	-179.5	0	0	0	0	0	114.8	V208 R222	V208-G212 VanDerWaalsContact O-CA 3.25Å; V208-G212 WeakPolarHBondContact O-CA 3.3Å; V208-G212 PolarHBondContact O-N 2.72Å; G212-R222 PolarHBondContact O-N 2.99Å; G212-R222 VanDerWaalsContact O-O 3.13Å
213	Y	98.9	Very high	98.8	Very high	1 Å²	1	22.5 Å²	22.5	0%	0.004	11%	0.113	C	C	.	.	I	π-helix	trans	-134.1	-15	-167	-59.5	-92.2	0	0	0	115.6	L173 V208 A209 P220 R222 E235 V239	L173-Y213 HydrophobicContact CD1-CD1 4.4Å; L173-Y213 HydrophobicContact CD1-CE1 3.91Å; L173-Y213 HydrophobicContact CD2-CD1 4.07Å; L173-Y213 HydrophobicContact CD2-CE1 4.01Å; L173-Y213 HydrophobicContact CG-CD1 4.24Å; L173-Y213 HydrophobicContact CG-CE1 3.69Å; V208-Y213 HydrophobicContact CG1-CE2 4.17Å; A209-Y213 CarbonylContact O-C 3.59Å; A209-Y213 WeakPolarHBondContact O-CA 3.41Å; A209-Y213 WeakPolarHBondContact O-CB 3.47Å; A209-Y213 PolarHBondContact O-N 2.82Å; A209-Y213 VanDerWaalsContact O-N 3.15Å; Y213-P220 HydrophobicContact CD1-CG 4.31Å; Y213-P220 HydrophobicContact CE1-CG 3.55Å; Y213-P220 HydrophobicContact CE2-CG 4.17Å; Y213-P220 VanDerWaalsContact CZ-CG 3.48Å; Y213-R222 CarbonylContact C-O 3.44Å; Y213-R222 VanDerWaalsContact C-O 3.27Å; Y213-R222 WeakPolarHBondContact CA-O 3.38Å; Y213-R222 HydrophobicContact CD1-CB 4.01Å; Y213-E235 HydrophobicContact CD1-CB 4.11Å; Y213-E235 HydrophobicContact CG-CB 4.44Å; Y213-V239 HydrophobicContact CD1-CG2 3.9Å; Y213-V239 HydrophobicContact CD2-CB 4.31Å; Y213-V239 HydrophobicContact CD2-CG1 4.12Å; Y213-V239 HydrophobicContact CD2-CG2 3.63Å; Y213-V239 HydrophobicContact CE1-CG2 3.88Å; Y213-V239 HydrophobicContact CE2-CB 4.43Å; Y213-V239 HydrophobicContact CE2-CG1 4.03Å; Y213-V239 HydrophobicContact CE2-CG2 3.61Å; Y213-V239 HydrophobicContact CG-CG2 3.76Å
214	D	98.9	Very high	98.8	Very high	11 Å²	11	26.9 Å²	26.9	6%	0.059	14%	0.139	C	C	.	.	I	π-helix	trans	-95	-63.8	168.4	178.6	-11.2	0	0	0	109.9	A209 L210 C223 S232 P236 S360 S362	A209-D214 PolarHBondContact O-N 2.74Å; A209-D214 VanDerWaalsContact O-N 3.1Å; L210-D214 HydrophobicContact CD1-CB 4.14Å; L210-D214 WeakPolarHBondContact O-CA 3.45Å; L210-D214 VanDerWaalsContact O-CB 3.29Å; L210-D214 WeakPolarHBondContact O-CB 3.37Å; L210-D214 PolarHBondContact O-N 3.12Å; D214-C223 WeakPolarHBondContact O-CB 3.29Å; D214-S232 WeakPolarHBondContact O-CB 3.3Å; D214-S232 PolarHBondContact O-OG 2.76Å; D214-P236 HydrophobicContact CB-CG 3.72Å; D214-S360 WeakPolarHBondContact OD1-CB 3.48Å; D214-S362 WeakPolarHBondContact OD2-CB 3.39Å; D214-S362 PolarHBondContact OD2-N 3.42Å; D214-S362 PolarHBondContact OD2-OG 3.19Å
215	Q	98.8	Very high	98.8	Very high	89 Å²	89	35.3 Å²	35.3	42%	0.416	18%	0.176	S	C	.	.	S	Bend	trans	-81.6	-26.9	-176.6	-60.1	-173	4.3	0	0	113.2	L210 T217	L210-Q215 HydrophobicContact CD1-CG 4.11Å; L210-Q215 HydrophobicContact CG-CG 4.48Å; L210-Q215 PolarHBondContact O-N 2.99Å; Q215-T217 VanDerWaalsContact C-N 3.31Å; Q215-T217 HydrophobicContact CB-CG2 4.14Å; Q215-T217 PolarHBondContact O-N 3.06Å
216	G	98.7	Very high	98.8	Very high	5 Å²	5	36.6 Å²	36.6	5%	0.052	19%	0.185	C	C	.	.			trans	64.8	29.8	-177.9	0	0	0	0	0	114.4	L211 K221 R222	L211-G216 CarbonylContact O-C 3.57Å; L211-G216 WeakPolarHBondContact O-CA 3.5Å; L211-G216 PolarHBondContact O-N 3.37Å; G216-K221 WeakPolarHBondContact O-CA 3.47Å; G216-K221 WeakPolarHBondContact O-CB 3.34Å; G216-R222 VanDerWaalsContact CA-O 3.27Å; G216-R222 WeakPolarHBondContact CA-O 3.22Å; G216-R222 PolarHBondContact N-O 3.3Å
217	T	98.7	Very high	98.8	Very high	52 Å²	52	41.4 Å²	41.4	32%	0.319	23%	0.227	S	C	.	.			trans	-93.1	-30.5	-179.8	49.6	0	0	0	0	112.9	F75 L211 Q215	F75-T217 WeakPolarHBondContact CE2-O 3.12Å; F75-T217 VanDerWaalsContact CZ-O 3.28Å; F75-T217 WeakPolarHBondContact CZ-O 3.49Å; L211-T217 PolarHBondContact O-N 3.43Å; Q215-T217 VanDerWaalsContact C-N 3.31Å; Q215-T217 HydrophobicContact CB-CG2 4.14Å; Q215-T217 PolarHBondContact O-N 3.06Å
218	N	98.8	Very high	98.8	Very high	11 Å²	11	42.6 Å²	42.6	6%	0.059	24%	0.242	C	C	.	.	S	Bend	trans	-98	160.9	170.8	-78.2	16.9	0	0	0	110.6	W72 L211 K221	W72-N218 HydrophobicContact CZ2-CB 4.41Å; L211-N218 HydrophobicContact CB-CB 3.69Å; L211-N218 PolarHBondContact O-N 3.02Å; N218-K221 WeakPolarHBondContact O-CA 3.28Å; N218-K221 PolarHBondContact O-N 3Å
219	P	98.7	Very high	98.7	Very high	11 Å²	11	43.6 Å²	43.6	7%	0.071	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	139.3	172.6	18.4	-24.5	0	0	0	111.4	I71 W72 F75	I71-P219 HydrophobicContact CB-CB 4.09Å; I71-P219 HydrophobicContact CD1-CB 4.07Å; I71-P219 HydrophobicContact CD1-CG 4.29Å; I71-P219 HydrophobicContact CG1-CB 4.12Å; I71-P219 HydrophobicContact CG1-CG 4.2Å; W72-P219 HydrophobicContact CD2-CG 3.94Å; W72-P219 HydrophobicContact CG-CG 4.08Å; W72-P219 HydrophobicContact CZ2-CG 4.33Å; F75-P219 HydrophobicContact CB-CB 3.96Å; F75-P219 HydrophobicContact CB-CG 3.77Å; F75-P219 HydrophobicContact CD1-CG 4.44Å; F75-P219 HydrophobicContact CD2-CB 3.9Å; F75-P219 VanDerWaalsContact CD2-CD 3.49Å; F75-P219 HydrophobicContact CD2-CG 3.92Å; F75-P219 HydrophobicContact CG-CB 4.15Å; F75-P219 HydrophobicContact CG-CG 3.8Å
220	P	98.8	Very high	98.7	Very high	24 Å²	24	44.7 Å²	44.7	16%	0.156	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	cis	-88.8	16.9	11.8	36.5	-37.5	0	0	0	115.7	E166 Y213 R222	E166-P220 WeakPolarHBondContact OE1-CB 3.46Å; Y213-P220 HydrophobicContact CD1-CG 4.31Å; Y213-P220 HydrophobicContact CE1-CG 3.55Å; Y213-P220 HydrophobicContact CE2-CG 4.17Å; Y213-P220 VanDerWaalsContact CZ-CG 3.48Å; P220-R222 HydrophobicContact CB-CG 4.39Å; P220-R222 HydrophobicContact CG-CB 4.49Å; P220-R222 HydrophobicContact CG-CG 3.95Å; P220-R222 PolarHBondContact O-N 3.27Å
221	K	98.8	Very high	98.7	Very high	75 Å²	75	46.7 Å²	46.7	33%	0.326	28%	0.277	S	S	.	.			trans	57.2	45	-178.6	-55.4	-171.8	81.9	171.9	0	113.3	F75 N81 G216 N218 C226	F75-K221 HydrophobicContact CD2-CD 3.89Å; F75-K221 HydrophobicContact CD2-CG 3.9Å; F75-K221 HydrophobicContact CE2-CD 3.5Å; F75-K221 HydrophobicContact CE2-CG 3.57Å; N81-K221 PolarHBondContact OD1-NZ 2.93Å; G216-K221 WeakPolarHBondContact O-CA 3.47Å; G216-K221 WeakPolarHBondContact O-CB 3.34Å; N218-K221 WeakPolarHBondContact O-CA 3.28Å; N218-K221 PolarHBondContact O-N 3Å; K221-C226 WeakPolarHBondContact O-CB 3.48Å; K221-C226 PolarHBondContact O-SG 2.81Å; K221-C226 VanDerWaalsContact O-SG 3.37Å
222	R	98.9	Very high	98.7	Very high	60 Å²	60	45.5 Å²	45.5	23%	0.226	27%	0.271	C	S	.	.			trans	-97.1	135.9	176.2	-68.7	-178.6	69.2	85	-7.4	110.8	G212 Y213 G216 P220 A228 G229 E235	G212-R222 PolarHBondContact O-N 2.99Å; G212-R222 VanDerWaalsContact O-O 3.13Å; Y213-R222 CarbonylContact C-O 3.44Å; Y213-R222 VanDerWaalsContact C-O 3.27Å; Y213-R222 WeakPolarHBondContact CA-O 3.38Å; Y213-R222 HydrophobicContact CD1-CB 4.01Å; G216-R222 VanDerWaalsContact CA-O 3.27Å; G216-R222 WeakPolarHBondContact CA-O 3.22Å; G216-R222 PolarHBondContact N-O 3.3Å; P220-R222 HydrophobicContact CB-CG 4.39Å; P220-R222 HydrophobicContact CG-CB 4.49Å; P220-R222 HydrophobicContact CG-CG 3.95Å; P220-R222 PolarHBondContact O-N 3.27Å; R222-A228 HydrophobicContact CG-CB 4.42Å; R222-A228 PolarHBondContact NH1-O 3.13Å; R222-G229 VanDerWaalsContact CA-O 3.26Å; R222-G229 WeakPolarHBondContact CA-O 3.09Å; R222-E235 WeakPolarHBondContact CB-OE2 3.35Å; R222-E235 IonicContact CZ-OE1 3.11Å; R222-E235 IonicContact CZ-OE2 2.91Å; R222-E235 IonicContact NE-OE1 2.75Å; R222-E235 PolarHBondContact NE-OE1 2.98Å; R222-E235 IonicContact NE-OE2 3.38Å; R222-E235 PolarHBondContact NE-OE2 3.2Å; R222-E235 IonicContact NH2-OE1 3.39Å; R222-E235 PolarHBondContact NH2-OE1 3.35Å; R222-E235 IonicContact NH2-OE2 3.12Å
223	C	98.9	Very high	98.7	Very high	2 Å²	2	45.8 Å²	45.8	1%	0.014	27%	0.273	C	S	.	.			trans	-169.9	165.6	175.9	72.9	0	0	0	0	108.8	D214 K225 C226 G229 S232	D214-C223 WeakPolarHBondContact O-CB 3.29Å; C223-K225 PolarHBondContact O-N 3.36Å; C223-C226 HydrophobicContact CB-CB 4.01Å; C223-C226 WeakPolarHBondContact CB-SG 3.28Å; C223-C226 PolarHBondContact N-SG 3.25Å; C223-C226 VanDerWaalsContact N-SG 3.42Å; C223-C226 WeakPolarHBondContact O-CB 3.12Å; C223-C226 PolarHBondContact O-N 3.01Å; C223-C226 VanDerWaalsContact SG-CA 3.56Å; C223-C226 WeakPolarHBondContact SG-CB 3.36Å; C223-C226 PolarHBondContact SG-N 3.47Å; C223-C226 CovalentContact SG-SG 2.04Å; C223-C226 PolarHBondContact SG-SG 2.83Å; C223-G229 PolarHBondContact N-O 3.31Å; C223-G229 CarbonylContact O-C 3.46Å; C223-S232 WeakPolarHBondContact CA-OG 3.48Å; C223-S232 WeakPolarHBondContact CB-OG 3.42Å
224	T	98.8	Very high	98.7	Very high	92 Å²	92	47.7 Å²	47.7	56%	0.564	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-30.8	-177.2	-52.1	0	0	0	0	113.8	S232	T224-S232 PolarHBondContact N-OG 2.88Å; T224-S232 VanDerWaalsContact N-OG 3.07Å; T224-S232 WeakPolarHBondContact OG1-CB 3.47Å; T224-S232 PolarHBondContact OG1-N 3.44Å; T224-S232 PolarHBondContact OG1-OG 2.91Å
225	K	98.6	Very high	98.7	Very high	196 Å²	196	48 Å²	48	85%	0.852	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.4	4.9	179.5	66.5	176.9	179.7	-179	0	114.2	C223	C223-K225 PolarHBondContact O-N 3.36Å
226	C	98.7	Very high	98.7	Very high	28 Å²	28	43.7 Å²	43.7	19%	0.189	27%	0.266	C	S	.	.			trans	-82.6	145.3	-170.3	-78.2	0	0	0	0	111.6	K221 C223 A228 G229	K221-C226 WeakPolarHBondContact O-CB 3.48Å; K221-C226 PolarHBondContact O-SG 2.81Å; K221-C226 VanDerWaalsContact O-SG 3.37Å; C223-C226 HydrophobicContact CB-CB 4.01Å; C223-C226 WeakPolarHBondContact CB-SG 3.28Å; C223-C226 PolarHBondContact N-SG 3.25Å; C223-C226 VanDerWaalsContact N-SG 3.42Å; C223-C226 WeakPolarHBondContact O-CB 3.12Å; C223-C226 PolarHBondContact O-N 3.01Å; C223-C226 VanDerWaalsContact SG-CA 3.56Å; C223-C226 WeakPolarHBondContact SG-CB 3.36Å; C223-C226 PolarHBondContact SG-N 3.47Å; C223-C226 CovalentContact SG-SG 2.04Å; C223-C226 PolarHBondContact SG-SG 2.83Å; C226-A228 VanDerWaalsContact C-N 3.25Å; C226-A228 PolarHBondContact O-N 3.21Å; C226-G229 WeakPolarHBondContact O-CA 3.38Å; C226-G229 PolarHBondContact O-N 2.96Å
227	A	98.5	Very high	98.8	Very high	116 Å²	116	43.5 Å²	43.5	96%	0.959	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-30.4	177.8	0	0	0	0	0	113.1	G229	A227-G229 PolarHBondContact O-N 3.41Å
228	A	98.3	Very high	98.8	Very high	57 Å²	57	43.9 Å²	43.9	47%	0.471	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	1.5	173.7	0	0	0	0	0	113.3	R222 C226	R222-A228 HydrophobicContact CG-CB 4.42Å; R222-A228 PolarHBondContact NH1-O 3.13Å; C226-A228 VanDerWaalsContact C-N 3.25Å; C226-A228 PolarHBondContact O-N 3.21Å
229	G	98.6	Very high	98.8	Very high	32 Å²	32	43.3 Å²	43.3	33%	0.33	26%	0.261	S	S	.	.			trans	73.7	-167.2	-168.2	0	0	0	0	0	112.2	R222 C223 C226 A227	R222-G229 VanDerWaalsContact CA-O 3.26Å; R222-G229 WeakPolarHBondContact CA-O 3.09Å; C223-G229 PolarHBondContact N-O 3.31Å; C223-G229 CarbonylContact O-C 3.46Å; C226-G229 WeakPolarHBondContact O-CA 3.38Å; C226-G229 PolarHBondContact O-N 2.96Å; A227-G229 PolarHBondContact O-N 3.41Å
230	G	98.7	Very high	98.8	Very high	23 Å²	23	42.8 Å²	42.8	24%	0.237	26%	0.257	C	S	.	.			trans	124.7	175.7	178.4	0	0	0	0	0	113.1	E235	G230-E235 WeakPolarHBondContact CA-OE1 3.17Å; G230-E235 WeakPolarHBondContact CA-OE2 3.31Å
231	N	98.9	Very high	98.8	Very high	61 Å²	61	42.4 Å²	42.4	33%	0.326	25%	0.253	S	S	.	.			trans	-148	107.7	176.4	-176.8	-22.3	0	0	0	110	A233 T234 E235	N231-A233 PolarHBondContact O-N 3.18Å; N231-A233 VanDerWaalsContact O-N 3.11Å; N231-A233 WeakPolarHBondContact OD1-CB 3.32Å; N231-A233 PolarHBondContact OD1-N 3.11Å; N231-T234 WeakPolarHBondContact CB-OG1 3.38Å; N231-T234 VanDerWaalsContact CG-OG1 3.32Å; N231-T234 PolarHBondContact O-N 3.23Å; N231-T234 VanDerWaalsContact O-N 3.13Å; N231-E235 HydrophobicContact CB-CG 4.4Å; N231-E235 WeakPolarHBondContact O-CB 3.31Å; N231-E235 PolarHBondContact O-N 2.87Å
232	S	98.9	Very high	98.8	Very high	10 Å²	10	39.2 Å²	39.2	7%	0.07	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-18.5	-175.4	-53.9	0	0	0	0	113.4	D214 C223 T224 P236 S360 Y361	D214-S232 WeakPolarHBondContact O-CB 3.3Å; D214-S232 PolarHBondContact O-OG 2.76Å; C223-S232 WeakPolarHBondContact CA-OG 3.48Å; C223-S232 WeakPolarHBondContact CB-OG 3.42Å; T224-S232 PolarHBondContact N-OG 2.88Å; T224-S232 VanDerWaalsContact N-OG 3.07Å; T224-S232 WeakPolarHBondContact OG1-CB 3.47Å; T224-S232 PolarHBondContact OG1-N 3.44Å; T224-S232 PolarHBondContact OG1-OG 2.91Å; S232-P236 WeakPolarHBondContact O-CG 3.41Å; S232-S360 CarbonylContact O-C 3.32Å; S232-S360 VanDerWaalsContact O-CA 3.27Å; S232-S360 WeakPolarHBondContact O-CA 3.42Å; S232-Y361 PolarHBondContact O-N 2.95Å
233	A	98.8	Very high	98.8	Very high	5 Å²	5	36.4 Å²	36.4	4%	0.041	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-12	179.8	0	0	0	0	0	113.8	N231 Y237 R319 P358	N231-A233 PolarHBondContact O-N 3.18Å; N231-A233 VanDerWaalsContact O-N 3.11Å; N231-A233 WeakPolarHBondContact OD1-CB 3.32Å; N231-A233 PolarHBondContact OD1-N 3.11Å; A233-Y237 WeakPolarHBondContact O-CD2 3.35Å; A233-Y237 WeakPolarHBondContact O-CE2 3.25Å; A233-R319 WeakPolarHBondContact O-CD 3.41Å; A233-R319 PolarHBondContact O-NH1 2.83Å; A233-P358 HydrophobicContact CB-CB 3.99Å
234	T	98.9	Very high	98.8	Very high	41 Å²	41	36.3 Å²	36.3	25%	0.252	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-127.1	-43.8	-176.4	57.9	0	0	0	0	113.1	N231 Y237 I238 R319	N231-T234 WeakPolarHBondContact CB-OG1 3.38Å; N231-T234 VanDerWaalsContact CG-OG1 3.32Å; N231-T234 PolarHBondContact O-N 3.23Å; N231-T234 VanDerWaalsContact O-N 3.13Å; T234-Y237 WeakPolarHBondContact O-CB 3.08Å; T234-Y237 PolarHBondContact O-N 3.48Å; T234-Y237 VanDerWaalsContact O-N 3.13Å; T234-I238 PolarHBondContact O-N 3.33Å; T234-R319 HydrophobicContact CG2-CB 4.45Å; T234-R319 HydrophobicContact CG2-CG 4.07Å
235	E	98.9	Very high	98.8	Very high	17 Å²	17	33.1 Å²	33.1	8%	0.079	21%	0.208	C	C	.	.	H	α-helix	trans	-62.7	-39.9	-173.1	-68.2	-168.7	170.2	0	0	114.5	L173 Y213 R222 G230 N231 Y237 I238 V239	L173-E235 HydrophobicContact CD2-CB 3.79Å; L173-E235 HydrophobicContact CD2-CG 3.72Å; Y213-E235 HydrophobicContact CD1-CB 4.11Å; Y213-E235 HydrophobicContact CG-CB 4.44Å; R222-E235 WeakPolarHBondContact CB-OE2 3.35Å; R222-E235 IonicContact CZ-OE1 3.11Å; R222-E235 IonicContact CZ-OE2 2.91Å; R222-E235 IonicContact NE-OE1 2.75Å; R222-E235 PolarHBondContact NE-OE1 2.98Å; R222-E235 IonicContact NE-OE2 3.38Å; R222-E235 PolarHBondContact NE-OE2 3.2Å; R222-E235 IonicContact NH2-OE1 3.39Å; R222-E235 PolarHBondContact NH2-OE1 3.35Å; R222-E235 IonicContact NH2-OE2 3.12Å; G230-E235 WeakPolarHBondContact CA-OE1 3.17Å; G230-E235 WeakPolarHBondContact CA-OE2 3.31Å; N231-E235 HydrophobicContact CB-CG 4.4Å; N231-E235 WeakPolarHBondContact O-CB 3.31Å; N231-E235 PolarHBondContact O-N 2.87Å; E235-Y237 PolarHBondContact O-N 3.05Å; E235-I238 PolarHBondContact O-N 2.94Å; E235-V239 WeakPolarHBondContact O-CB 3.21Å; E235-V239 VanDerWaalsContact O-CG2 3.3Å; E235-V239 WeakPolarHBondContact O-CG2 3.03Å; E235-V239 PolarHBondContact O-N 3.49Å
236	P	98.9	Very high	98.8	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-55.6	-37.2	174.6	-27.4	36	0	0	0	113.1	A209 D214 S232 A240 W298 Y361	A209-P236 HydrophobicContact CB-CB 4.14Å; D214-P236 HydrophobicContact CB-CG 3.72Å; S232-P236 WeakPolarHBondContact O-CG 3.41Å; P236-A240 WeakPolarHBondContact O-CB 3.48Å; P236-A240 PolarHBondContact O-N 3.28Å; P236-W298 HydrophobicContact CB-CH2 4.09Å; P236-W298 WeakPolarHBondContact O-CH2 3.11Å; P236-W298 WeakPolarHBondContact O-CZ2 3.44Å; P236-Y361 HydrophobicContact CB-CG 4.45Å
237	Y	98.9	Very high	98.8	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-71.3	-40	178.9	-58	-66.4	0	0	0	113	A233 T234 E235 H241 W298 M312 V316 R319 L320 Y361 D364	A233-Y237 WeakPolarHBondContact O-CD2 3.35Å; A233-Y237 WeakPolarHBondContact O-CE2 3.25Å; T234-Y237 WeakPolarHBondContact O-CB 3.08Å; T234-Y237 PolarHBondContact O-N 3.48Å; T234-Y237 VanDerWaalsContact O-N 3.13Å; E235-Y237 PolarHBondContact O-N 3.05Å; Y237-H241 WeakPolarHBondContact O-CB 3.31Å; Y237-H241 PolarHBondContact O-N 3.46Å; Y237-W298 HydrophobicContact CD1-CH2 4.48Å; Y237-W298 AromaticContact CD1-CZ2 3.6Å; Y237-W298 HydrophobicContact CD1-CZ2 3.6Å; Y237-W298 HydrophobicContact CE1-CZ2 4.05Å; Y237-W298 HydrophobicContact CG-CZ2 4.43Å; Y237-M312 HydrophobicContact CE1-CE 3.93Å; Y237-V316 HydrophobicContact CD1-CG1 4.17Å; Y237-V316 HydrophobicContact CD2-CG1 3.92Å; Y237-V316 HydrophobicContact CE1-CG1 3.84Å; Y237-V316 HydrophobicContact CE1-CG2 3.94Å; Y237-V316 HydrophobicContact CE2-CG1 3.57Å; Y237-V316 HydrophobicContact CG-CG1 4.2Å; Y237-V316 WeakPolarHBondContact OH-CG2 3.41Å; Y237-R319 WeakPolarHBondContact CB-O 3.41Å; Y237-R319 HydrophobicContact CD2-CB 4.49Å; Y237-L320 HydrophobicContact CD1-CD1 3.77Å; Y237-L320 HydrophobicContact CE1-CD1 4.46Å; Y237-L320 HydrophobicContact CG-CD1 4.41Å; Y237-Y361 AromaticContact CE1-CD2 3.85Å; Y237-Y361 HydrophobicContact CE1-CD2 3.85Å; Y237-Y361 AromaticContact CZ-CD2 3.93Å; Y237-Y361 WeakPolarHBondContact OH-CA 3.47Å; Y237-D364 WeakPolarHBondContact OH-CB 3.34Å; Y237-D364 PolarHBondContact OH-OD2 3.41Å
238	I	98.9	Very high	98.9	Very high	60 Å²	60	17 Å²	17	31%	0.308	11%	0.113	S	C	.	.	H	α-helix	trans	-62.8	-47.2	174.3	-63.1	169.2	0	0	0	110.1	L173 T234 E235 H241 N242	L173-I238 HydrophobicContact CD2-CB 4.4Å; L173-I238 HydrophobicContact CD2-CG2 4.25Å; L173-I238 WeakPolarHBondContact O-CG2 3.44Å; T234-I238 PolarHBondContact O-N 3.33Å; E235-I238 PolarHBondContact O-N 2.94Å; I238-H241 PolarHBondContact O-N 2.91Å; I238-N242 PolarHBondContact O-N 3Å; I238-N242 PolarHBondContact O-ND2 3.24Å
239	V	98.9	Very high	98.9	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-61.6	-49	-179.2	167.9	0	0	0	0	111.3	W172 L173 V208 A209 Y213 E235 H241 N242 F243	W172-V239 HydrophobicContact CB-CB 4.38Å; W172-V239 HydrophobicContact CB-CG1 3.88Å; W172-V239 HydrophobicContact CB-CG2 4.07Å; L173-V239 HydrophobicContact CD2-CG2 3.88Å; L173-V239 HydrophobicContact CG-CG2 4.4Å; V208-V239 HydrophobicContact CG1-CG1 4.31Å; A209-V239 HydrophobicContact CB-CB 4.5Å; A209-V239 HydrophobicContact CB-CG1 4.15Å; Y213-V239 HydrophobicContact CD1-CG2 3.9Å; Y213-V239 HydrophobicContact CD2-CB 4.31Å; Y213-V239 HydrophobicContact CD2-CG1 4.12Å; Y213-V239 HydrophobicContact CD2-CG2 3.63Å; Y213-V239 HydrophobicContact CE1-CG2 3.88Å; Y213-V239 HydrophobicContact CE2-CB 4.43Å; Y213-V239 HydrophobicContact CE2-CG1 4.03Å; Y213-V239 HydrophobicContact CE2-CG2 3.61Å; Y213-V239 HydrophobicContact CG-CG2 3.76Å; E235-V239 WeakPolarHBondContact O-CB 3.21Å; E235-V239 VanDerWaalsContact O-CG2 3.3Å; E235-V239 WeakPolarHBondContact O-CG2 3.03Å; E235-V239 PolarHBondContact O-N 3.49Å; V239-H241 VanDerWaalsContact C-N 3.3Å; V239-H241 PolarHBondContact O-N 2.89Å; V239-N242 PolarHBondContact O-N 2.9Å; V239-F243 HydrophobicContact CG1-CD2 3.78Å; V239-F243 HydrophobicContact CG1-CE2 3.59Å; V239-F243 VanDerWaalsContact O-CD2 3.3Å; V239-F243 WeakPolarHBondContact O-CD2 3.31Å; V239-F243 PolarHBondContact O-N 2.96Å
240	A	98.9	Very high	98.9	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-60.6	-39.8	177.3	0	0	0	0	0	112.4	P236 F243 L244 W298 Y299	P236-A240 WeakPolarHBondContact O-CB 3.48Å; P236-A240 PolarHBondContact O-N 3.28Å; A240-F243 PolarHBondContact O-N 2.92Å; A240-L244 WeakPolarHBondContact O-CG 3.25Å; A240-L244 PolarHBondContact O-N 3.4Å; A240-L244 VanDerWaalsContact O-N 3.07Å; A240-W298 HydrophobicContact CB-CD2 4.22Å; A240-W298 VanDerWaalsContact CB-CE2 3.42Å; A240-W298 HydrophobicContact CB-CH2 3.79Å; A240-W298 HydrophobicContact CB-CZ2 3.2Å; A240-W298 HydrophobicContact CB-CZ3 4.49Å; A240-Y299 HydrophobicContact CB-CE1 4.01Å; A240-Y299 VanDerWaalsContact CB-OH 3.25Å; A240-Y299 WeakPolarHBondContact CB-OH 3.25Å
241	H	98.9	Very high	98.9	Very high	15 Å²	15	12.8 Å²	12.8	7%	0.069	7%	0.073	C	C	.	.	H	α-helix	trans	-63.9	-45.7	177.3	-163.2	79	0	0	0	111.8	Y237 I238 V239 F243 L244 L245 Y308 P321 F323	Y237-H241 WeakPolarHBondContact O-CB 3.31Å; Y237-H241 PolarHBondContact O-N 3.46Å; I238-H241 PolarHBondContact O-N 2.91Å; V239-H241 VanDerWaalsContact C-N 3.3Å; V239-H241 PolarHBondContact O-N 2.89Å; H241-F243 VanDerWaalsContact C-N 3.34Å; H241-F243 PolarHBondContact O-N 3.32Å; H241-L244 PolarHBondContact O-N 2.69Å; H241-L245 WeakPolarHBondContact O-CG 3.48Å; H241-L245 PolarHBondContact O-N 3.23Å; H241-Y308 WeakPolarHBondContact CA-OH 3.28Å; H241-Y308 WeakPolarHBondContact CB-OH 3.33Å; H241-Y308 AromaticContact ND1-CE2 3.71Å; H241-Y308 AromaticContact ND1-CZ 3.71Å; H241-Y308 PolarHBondContact ND1-OH 3.47Å; H241-P321 HydrophobicContact CB-CB 4.09Å; H241-P321 HydrophobicContact CB-CG 3.91Å; H241-F323 AromaticContact CE1-CD1 3.26Å; H241-F323 WeakPolarHBondContact CE1-CD1 3.27Å; H241-F323 AromaticContact CE1-CE1 3.2Å; H241-F323 WeakPolarHBondContact CE1-CE1 3.47Å; H241-F323 AromaticContact CE1-CG 3.73Å; H241-F323 AromaticContact CE1-CZ 3.63Å; H241-F323 AromaticContact ND1-CE1 3.51Å; H241-F323 AromaticContact ND1-CZ 3.53Å; H241-F323 AromaticContact NE2-CD1 3.87Å; H241-F323 AromaticContact NE2-CE1 3.89Å
242	N	99	Very high	98.9	Very high	8 Å²	8	11.2 Å²	11.2	4%	0.043	7%	0.068	C	C	.	.	H	α-helix	trans	-66.1	-34.6	177.6	-71.8	-27.7	0	0	0	112.4	W172 L173 A175 I238 V239 S246	W172-N242 WeakPolarHBondContact O-CB 3.39Å; W172-N242 PolarHBondContact O-ND2 3.36Å; L173-N242 VanDerWaalsContact C-ND2 3.35Å; L173-N242 PolarHBondContact O-ND2 3.41Å; A175-N242 WeakPolarHBondContact CA-OD1 3.31Å; I238-N242 PolarHBondContact O-N 3Å; I238-N242 PolarHBondContact O-ND2 3.24Å; V239-N242 PolarHBondContact O-N 2.9Å; N242-S246 VanDerWaalsContact O-CB 3.22Å; N242-S246 WeakPolarHBondContact O-CB 3.42Å; N242-S246 PolarHBondContact O-N 2.92Å; N242-S246 PolarHBondContact O-OG 2.87Å
243	F	99	Very high	98.9	Very high	1 Å²	1	14 Å²	14	0%	0.004	8%	0.077	C	C	.	.	H	α-helix	trans	-61.2	-46.1	170.6	-86.4	-60.3	0	0	0	112.2	Y157 W172 F202 P205 V208 V239 A240 H241 S246 H247	Y157-F243 HydrophobicContact CD1-CE1 4.27Å; Y157-F243 HydrophobicContact CE1-CE1 4.01Å; Y157-F243 HydrophobicContact CE1-CZ 4.01Å; W172-F243 HydrophobicContact CB-CE2 4.38Å; W172-F243 AromaticContact CD1-CZ 3.65Å; W172-F243 HydrophobicContact CD2-CD1 4.19Å; W172-F243 AromaticContact CD2-CE1 3.58Å; W172-F243 HydrophobicContact CD2-CE1 3.58Å; W172-F243 HydrophobicContact CD2-CE2 4.06Å; W172-F243 AromaticContact CD2-CZ 3.5Å; W172-F243 HydrophobicContact CD2-CZ 3.5Å; W172-F243 AromaticContact CE2-CE1 3.38Å; W172-F243 AromaticContact CE2-CZ 3.4Å; W172-F243 VanDerWaalsContact CE2-CZ 3.4Å; W172-F243 AromaticContact CE3-CD1 3.98Å; W172-F243 HydrophobicContact CE3-CD1 3.98Å; W172-F243 AromaticContact CE3-CE1 3.82Å; W172-F243 HydrophobicContact CE3-CE1 3.82Å; W172-F243 HydrophobicContact CE3-CG 4.45Å; W172-F243 HydrophobicContact CE3-CZ 4.14Å; W172-F243 HydrophobicContact CG-CE1 4.27Å; W172-F243 AromaticContact CG-CE2 3.92Å; W172-F243 HydrophobicContact CG-CE2 3.92Å; W172-F243 AromaticContact CG-CZ 3.69Å; W172-F243 HydrophobicContact CG-CZ 3.69Å; W172-F243 HydrophobicContact CH2-CD1 4.17Å; W172-F243 AromaticContact CH2-CE1 3.76Å; W172-F243 HydrophobicContact CH2-CE1 3.76Å; W172-F243 HydrophobicContact CZ2-CD1 4.34Å; W172-F243 AromaticContact CZ2-CE1 3.49Å; W172-F243 HydrophobicContact CZ2-CE1 3.49Å; W172-F243 VanDerWaalsContact CZ2-CE1 3.49Å; W172-F243 AromaticContact CZ2-CZ 4Å; W172-F243 HydrophobicContact CZ2-CZ 4Å; W172-F243 AromaticContact CZ3-CD1 3.97Å; W172-F243 HydrophobicContact CZ3-CD1 3.97Å; W172-F243 AromaticContact CZ3-CE1 3.89Å; W172-F243 HydrophobicContact CZ3-CE1 3.89Å; W172-F243 AromaticContact NE1-CE1 3.92Å; W172-F243 AromaticContact NE1-CZ 3.47Å; F202-F243 HydrophobicContact CB-CD1 4.41Å; F202-F243 AromaticContact CD1-CD1 3.52Å; F202-F243 HydrophobicContact CD1-CD1 3.52Å; F202-F243 AromaticContact CD1-CE1 3.48Å; F202-F243 HydrophobicContact CD1-CE1 3.48Å; F202-F243 VanDerWaalsContact CD1-CE1 3.48Å; F202-F243 AromaticContact CD2-CD1 3.78Å; F202-F243 HydrophobicContact CD2-CD1 3.78Å; F202-F243 AromaticContact CE1-CD1 3.62Å; F202-F243 HydrophobicContact CE1-CD1 3.62Å; F202-F243 AromaticContact CE1-CE1 3.7Å; F202-F243 HydrophobicContact CE1-CE1 3.7Å; F202-F243 AromaticContact CE2-CD1 3.86Å; F202-F243 HydrophobicContact CE2-CD1 3.86Å; F202-F243 VanDerWaalsContact CE2-O 3.25Å; F202-F243 WeakPolarHBondContact CE2-O 3.4Å; F202-F243 AromaticContact CG-CD1 3.62Å; F202-F243 HydrophobicContact CG-CD1 3.62Å; F202-F243 AromaticContact CG-CE1 3.97Å; F202-F243 HydrophobicContact CG-CE1 3.97Å; F202-F243 AromaticContact CZ-CD1 3.79Å; F202-F243 HydrophobicContact CZ-CD1 3.79Å; F202-F243 HydrophobicContact CZ-CE1 4.32Å; P205-F243 HydrophobicContact CB-CB 4.01Å; P205-F243 HydrophobicContact CB-CD1 4.29Å; P205-F243 HydrophobicContact CB-CD2 3.63Å; P205-F243 HydrophobicContact CB-CE2 4.13Å; P205-F243 HydrophobicContact CB-CG 3.73Å; V208-F243 HydrophobicContact CB-CE2 3.82Å; V208-F243 HydrophobicContact CB-CZ 4.14Å; V208-F243 HydrophobicContact CG1-CE2 3.7Å; V208-F243 HydrophobicContact CG1-CZ 3.93Å; V208-F243 HydrophobicContact CG2-CE2 4.25Å; V208-F243 HydrophobicContact CG2-CZ 4.1Å; V239-F243 HydrophobicContact CG1-CD2 3.78Å; V239-F243 HydrophobicContact CG1-CE2 3.59Å; V239-F243 VanDerWaalsContact O-CD2 3.3Å; V239-F243 WeakPolarHBondContact O-CD2 3.31Å; V239-F243 PolarHBondContact O-N 2.96Å; A240-F243 PolarHBondContact O-N 2.92Å; H241-F243 VanDerWaalsContact C-N 3.34Å; H241-F243 PolarHBondContact O-N 3.32Å; F243-S246 PolarHBondContact O-N 3.25Å; F243-H247 WeakPolarHBondContact O-CB 3.18Å; F243-H247 PolarHBondContact O-N 3.49Å
244	L	99	Very high	98.9	Very high	1 Å²	1	13.8 Å²	13.8	1%	0.005	8%	0.075	C	C	.	.	H	α-helix	trans	-62.6	-44.8	178.4	-75.3	163.5	0	0	0	111.8	A240 H241 H247 A248 Y299 P302 L303 Y308 F323 V331	A240-L244 WeakPolarHBondContact O-CG 3.25Å; A240-L244 PolarHBondContact O-N 3.4Å; A240-L244 VanDerWaalsContact O-N 3.07Å; H241-L244 PolarHBondContact O-N 2.69Å; L244-H247 PolarHBondContact O-N 3Å; L244-A248 WeakPolarHBondContact O-CB 3.24Å; L244-A248 PolarHBondContact O-N 3.02Å; L244-Y299 HydrophobicContact CD1-CD1 4.36Å; L244-Y299 HydrophobicContact CD2-CD1 4.15Å; L244-Y299 HydrophobicContact CG-CD1 4.14Å; L244-P302 HydrophobicContact CD1-CB 3.94Å; L244-P302 HydrophobicContact CD1-CG 3.89Å; L244-P302 HydrophobicContact CD2-CB 4.09Å; L244-L303 HydrophobicContact CD2-CD2 4.19Å; L244-L303 HydrophobicContact CD2-CG 4.04Å; L244-Y308 HydrophobicContact CD1-CE1 3.67Å; L244-F323 HydrophobicContact CB-CE1 4.39Å; L244-F323 HydrophobicContact CB-CZ 4.09Å; L244-F323 HydrophobicContact CD1-CZ 3.88Å; L244-V331 HydrophobicContact CD2-CG1 4.22Å
245	L	98.9	Very high	98.9	Very high	24 Å²	24	16 Å²	16	13%	0.126	8%	0.079	C	C	.	.	H	α-helix	trans	-64.2	-42.2	176.4	-66.4	-178.6	0	0	0	112.1	H241 A248 A249 F323 Q327 V331	H241-L245 WeakPolarHBondContact O-CG 3.48Å; H241-L245 PolarHBondContact O-N 3.23Å; L245-A248 PolarHBondContact O-N 3.16Å; L245-A249 WeakPolarHBondContact O-CB 3.48Å; L245-A249 PolarHBondContact O-N 2.82Å; L245-F323 HydrophobicContact CD2-CD1 3.91Å; L245-F323 HydrophobicContact CD2-CE1 3.78Å; L245-F323 HydrophobicContact CG-CE1 4.28Å; L245-Q327 HydrophobicContact CD2-CB 3.9Å; L245-Q327 HydrophobicContact CD2-CG 3.87Å; L245-V331 HydrophobicContact CD2-CG2 4.39Å
246	S	99	Very high	98.9	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-65.7	-38.3	177.8	-56.1	0	0	0	0	112.1	A178 N242 F243 A250	A178-S246 VanDerWaalsContact CA-OG 3.26Å; A178-S246 WeakPolarHBondContact CA-OG 3.17Å; A178-S246 PolarHBondContact N-OG 2.89Å; N242-S246 VanDerWaalsContact O-CB 3.22Å; N242-S246 WeakPolarHBondContact O-CB 3.42Å; N242-S246 PolarHBondContact O-N 2.92Å; N242-S246 PolarHBondContact O-OG 2.87Å; F243-S246 PolarHBondContact O-N 3.25Å; S246-A250 WeakPolarHBondContact O-CB 3.27Å; S246-A250 PolarHBondContact O-N 3.19Å
247	H	99	Very high	98.9	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-62.2	-51.2	175.1	170	73.5	0	0	0	110.2	T201 F202 F243 L244 A249 A250 V251 I268 L303 S334	T201-H247 WeakPolarHBondContact CG2-ND1 3.39Å; T201-H247 PolarHBondContact OG1-ND1 3.07Å; F202-H247 HydrophobicContact CD2-CB 4.09Å; F202-H247 HydrophobicContact CE2-CB 3.8Å; F243-H247 WeakPolarHBondContact O-CB 3.18Å; F243-H247 PolarHBondContact O-N 3.49Å; L244-H247 PolarHBondContact O-N 3Å; H247-A249 PolarHBondContact O-N 3.22Å; H247-A250 PolarHBondContact O-N 2.62Å; H247-V251 VanDerWaalsContact O-CG2 3.22Å; H247-V251 WeakPolarHBondContact O-CG2 3.44Å; H247-V251 PolarHBondContact O-N 2.89Å; H247-I268 HydrophobicContact CB-CD1 4.41Å; H247-L303 VanDerWaalsContact CD2-CD2 3.46Å; H247-L303 WeakPolarHBondContact CD2-CD2 3.38Å; H247-S334 PolarHBondContact CD2-OG 2.81Å; H247-S334 PolarHBondContact NE2-O 3.27Å; H247-S334 PolarHBondContact NE2-OG 3.42Å
248	A	98.9	Very high	98.9	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.008	14%	0.137	C	C	.	.	H	α-helix	trans	-61.2	-42.4	-179	0	0	0	0	0	112.3	L244 L245 V251 A252 L330 V331	L244-A248 WeakPolarHBondContact O-CB 3.24Å; L244-A248 PolarHBondContact O-N 3.02Å; L245-A248 PolarHBondContact O-N 3.16Å; A248-V251 PolarHBondContact O-N 2.7Å; A248-A252 VanDerWaalsContact O-CB 3.3Å; A248-A252 WeakPolarHBondContact O-CB 3.33Å; A248-A252 PolarHBondContact O-N 2.72Å; A248-L330 HydrophobicContact CB-CB 4.42Å; A248-L330 HydrophobicContact CB-CD2 4.17Å; A248-L330 HydrophobicContact CB-CG 3.97Å; A248-V331 HydrophobicContact CB-CB 4.28Å; A248-V331 HydrophobicContact CB-CG2 3.67Å
249	A	99	Very high	98.9	Very high	23 Å²	23	27.3 Å²	27.3	19%	0.19	14%	0.137	C	C	.	.	H	α-helix	trans	-63.8	-45.7	176.8	0	0	0	0	0	112.5	A178 T182 L245 H247 V251 A252 R253	A178-A249 HydrophobicContact CB-CB 4.5Å; T182-A249 VanDerWaalsContact OG1-CB 3.29Å; T182-A249 WeakPolarHBondContact OG1-CB 3.37Å; L245-A249 WeakPolarHBondContact O-CB 3.48Å; L245-A249 PolarHBondContact O-N 2.82Å; H247-A249 PolarHBondContact O-N 3.22Å; A249-V251 PolarHBondContact O-N 3.04Å; A249-A252 PolarHBondContact O-N 3.28Å; A249-R253 PolarHBondContact O-N 2.86Å
250	A	98.9	Very high	98.9	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-64.2	-40.5	177.6	0	0	0	0	0	112.2	F181 T182 A185 T201 S246 H247 R253 Y254	F181-A250 HydrophobicContact CD1-CB 3.98Å; F181-A250 HydrophobicContact CE1-CB 3.9Å; T182-A250 PolarHBondContact OG1-N 2.95Å; A185-A250 HydrophobicContact CB-CB 3.92Å; T201-A250 HydrophobicContact CG2-CB 4.4Å; S246-A250 WeakPolarHBondContact O-CB 3.27Å; S246-A250 PolarHBondContact O-N 3.19Å; H247-A250 PolarHBondContact O-N 2.62Å; A250-R253 WeakPolarHBondContact O-CB 3.29Å; A250-R253 PolarHBondContact O-N 2.93Å; A250-Y254 PolarHBondContact O-N 3.08Å
251	V	98.9	Very high	98.9	Very high	1 Å²	1	36 Å²	36	1%	0.006	21%	0.209	C	C	.	.	H	α-helix	trans	-66.6	-43.2	175.8	172.2	0	0	0	0	110.9	H247 A248 A249 R253 Y254 R255 V266 S334	H247-V251 VanDerWaalsContact O-CG2 3.22Å; H247-V251 WeakPolarHBondContact O-CG2 3.44Å; H247-V251 PolarHBondContact O-N 2.89Å; A248-V251 PolarHBondContact O-N 2.7Å; A249-V251 PolarHBondContact O-N 3.04Å; V251-R253 VanDerWaalsContact C-N 3.27Å; V251-R253 PolarHBondContact O-N 3.29Å; V251-Y254 WeakPolarHBondContact O-CB 3.41Å; V251-Y254 PolarHBondContact O-N 3.48Å; V251-Y254 VanDerWaalsContact O-N 3.08Å; V251-R255 HydrophobicContact CG1-CG 4.1Å; V251-R255 WeakPolarHBondContact O-CG 3.33Å; V251-R255 PolarHBondContact O-N 2.8Å; V251-V266 HydrophobicContact CG2-CB 4.17Å; V251-V266 HydrophobicContact CG2-CG1 3.79Å; V251-S334 VanDerWaalsContact CG1-O 3.27Å; V251-S334 WeakPolarHBondContact CG1-O 3.36Å; V251-S334 WeakPolarHBondContact CG2-O 3.5Å
252	A	98.9	Very high	98.9	Very high	28 Å²	28	35.6 Å²	35.6	23%	0.231	21%	0.207	C	C	.	.	H	α-helix	trans	-58.4	-43.3	176.5	0	0	0	0	0	110.9	A248 A249 R255 T256 L330	A248-A252 VanDerWaalsContact O-CB 3.3Å; A248-A252 WeakPolarHBondContact O-CB 3.33Å; A248-A252 PolarHBondContact O-N 2.72Å; A249-A252 PolarHBondContact O-N 3.28Å; A252-R255 PolarHBondContact O-N 3.14Å; A252-T256 WeakPolarHBondContact O-CB 3.3Å; A252-T256 WeakPolarHBondContact O-CG2 3.01Å; A252-T256 PolarHBondContact O-N 3.43Å; A252-T256 PolarHBondContact O-OG1 3.31Å; A252-L330 HydrophobicContact CB-CD1 3.81Å
253	R	98.9	Very high	98.8	Very high	69 Å²	69	42.9 Å²	42.9	26%	0.26	24%	0.241	S	C	.	.	H	α-helix	trans	-59.6	-45.3	172.2	-175.7	65.5	66.6	75	5.3	112	T182 E183 D186 A249 A250 V251 T256 K257 Y258	T182-R253 HydrophobicContact CG2-CB 3.79Å; T182-R253 HydrophobicContact CG2-CG 4.12Å; E183-R253 IonicContact OE1-CZ 3.73Å; E183-R253 VanDerWaalsContact OE1-CZ 3.28Å; E183-R253 IonicContact OE1-NH1 2.78Å; E183-R253 PolarHBondContact OE1-NH1 3.07Å; E183-R253 IonicContact OE1-NH2 3.91Å; E183-R253 PolarHBondContact OE1-NH2 3.21Å; E183-R253 IonicContact OE2-NH1 3.84Å; D186-R253 HydrophobicContact CB-CG 4.2Å; D186-R253 VanDerWaalsContact OD2-CD 3.28Å; D186-R253 WeakPolarHBondContact OD2-CD 3.37Å; D186-R253 WeakPolarHBondContact OD2-CG 3.22Å; D186-R253 IonicContact OD2-CZ 2.7Å; D186-R253 IonicContact OD2-NE 3.66Å; D186-R253 IonicContact OD2-NH1 2.8Å; D186-R253 PolarHBondContact OD2-NH1 3.18Å; A249-R253 PolarHBondContact O-N 2.86Å; A250-R253 WeakPolarHBondContact O-CB 3.29Å; A250-R253 PolarHBondContact O-N 2.93Å; V251-R253 VanDerWaalsContact C-N 3.27Å; V251-R253 PolarHBondContact O-N 3.29Å; R253-T256 PolarHBondContact O-OG1 3.2Å; R253-K257 VanDerWaalsContact O-CB 3.27Å; R253-K257 WeakPolarHBondContact O-CB 3.39Å; R253-K257 PolarHBondContact O-N 3.19Å; R253-Y258 HydrophobicContact CG-CE2 4.43Å
254	Y	98.9	Very high	98.8	Very high	0 Å²	0	43 Å²	43	0%	0	24%	0.242	C	C	.	.	I	π-helix	trans	-58.3	-52.8	177.2	-173.9	-100.8	0	0	0	112.2	F189 A250 V251 T256 Y258 Q259 G264 V266	F189-Y254 HydrophobicContact CB-CD2 4.2Å; F189-Y254 HydrophobicContact CB-CE2 4.48Å; F189-Y254 AromaticContact CD1-CD2 3.66Å; F189-Y254 HydrophobicContact CD1-CD2 3.66Å; F189-Y254 HydrophobicContact CD1-CE2 4Å; F189-Y254 AromaticContact CD2-CD2 3.74Å; F189-Y254 HydrophobicContact CD2-CD2 3.74Å; F189-Y254 HydrophobicContact CD2-CG 4.47Å; F189-Y254 AromaticContact CE1-CD2 3.87Å; F189-Y254 HydrophobicContact CE1-CD2 3.87Å; F189-Y254 HydrophobicContact CE1-CE2 4.42Å; F189-Y254 AromaticContact CE2-CD2 3.96Å; F189-Y254 HydrophobicContact CE2-CD2 3.96Å; F189-Y254 HydrophobicContact CE2-CG 4.34Å; F189-Y254 AromaticContact CG-CD2 3.6Å; F189-Y254 HydrophobicContact CG-CD2 3.6Å; F189-Y254 HydrophobicContact CG-CE2 4.17Å; F189-Y254 HydrophobicContact CZ-CD2 4.02Å; F189-Y254 HydrophobicContact CZ-CG 4.41Å; A250-Y254 PolarHBondContact O-N 3.08Å; V251-Y254 WeakPolarHBondContact O-CB 3.41Å; V251-Y254 PolarHBondContact O-N 3.48Å; V251-Y254 VanDerWaalsContact O-N 3.08Å; Y254-T256 PolarHBondContact O-N 2.72Å; Y254-Y258 CarbonylContact O-C 3.59Å; Y254-Y258 WeakPolarHBondContact O-CA 3.27Å; Y254-Y258 WeakPolarHBondContact O-CB 3.05Å; Y254-Y258 PolarHBondContact O-N 3.33Å; Y254-Q259 HydrophobicContact CD1-CB 4.03Å; Y254-Q259 HydrophobicContact CD1-CG 4.49Å; Y254-Q259 HydrophobicContact CE1-CB 3.83Å; Y254-Q259 HydrophobicContact CE1-CG 4.03Å; Y254-Q259 PolarHBondContact O-N 3.14Å; Y254-G264 WeakPolarHBondContact OH-CA 3.31Å; Y254-G264 PolarHBondContact OH-N 3.05Å; Y254-V266 HydrophobicContact CD1-CG2 3.5Å; Y254-V266 VanDerWaalsContact CD1-CG2 3.5Å; Y254-V266 HydrophobicContact CD2-CG2 4.03Å; Y254-V266 HydrophobicContact CE1-CG2 3.93Å; Y254-V266 HydrophobicContact CE2-CG2 4.41Å; Y254-V266 HydrophobicContact CG-CG2 3.55Å
255	R	98.8	Very high	98.8	Very high	87 Å²	87	48 Å²	48	33%	0.328	26%	0.264	S	S	.	.	I	π-helix	trans	-61.1	-43.1	-177.1	-69.5	-179.3	173.2	163.6	-3.2	112.3	V251 A252 G333 D336	V251-R255 HydrophobicContact CG1-CG 4.1Å; V251-R255 WeakPolarHBondContact O-CG 3.33Å; V251-R255 PolarHBondContact O-N 2.8Å; A252-R255 PolarHBondContact O-N 3.14Å; R255-G333 VanDerWaalsContact CZ-O 3.3Å; R255-G333 PolarHBondContact NH1-O 2.92Å; R255-G333 PolarHBondContact NH2-O 3.21Å; R255-D336 IonicContact CZ-OD1 3.28Å; R255-D336 IonicContact NE-OD1 2.81Å; R255-D336 IonicContact NH2-OD1 3.31Å; R255-D336 PolarHBondContact NH2-OD1 3.16Å
256	T	98.9	Very high	98.8	Very high	119 Å²	119	46.9 Å²	46.9	73%	0.73	26%	0.258	S	S	*	.	I	π-helix	trans	-80.4	-29.8	-175.4	53.8	0	0	0	0	114.3	A252 R253 Y254	A252-T256 WeakPolarHBondContact O-CB 3.3Å; A252-T256 WeakPolarHBondContact O-CG2 3.01Å; A252-T256 PolarHBondContact O-N 3.43Å; A252-T256 PolarHBondContact O-OG1 3.31Å; R253-T256 PolarHBondContact O-OG1 3.2Å; Y254-T256 PolarHBondContact O-N 2.72Å
257	K	98.9	Very high	98.8	Very high	115 Å²	115	46.9 Å²	46.9	50%	0.5	26%	0.258	S	S	.	.	I	π-helix	trans	-110.4	-32.4	-173.1	-171.7	174.7	172.9	-172	0	114.4	D186 R253	D186-K257 VanDerWaalsContact CG-NZ 3.33Å; D186-K257 IonicContact OD1-NZ 3.04Å; D186-K257 PolarHBondContact OD1-NZ 2.93Å; D186-K257 WeakPolarHBondContact OD2-CD 3.44Å; D186-K257 IonicContact OD2-NZ 2.77Å; D186-K257 PolarHBondContact OD2-NZ 3.2Å; R253-K257 VanDerWaalsContact O-CB 3.27Å; R253-K257 WeakPolarHBondContact O-CB 3.39Å; R253-K257 PolarHBondContact O-N 3.19Å
258	Y	98.9	Very high	98.8	Very high	17 Å²	17	46.9 Å²	46.9	7%	0.067	26%	0.258	C	S	.	.	I	π-helix	trans	-119.2	-34.8	-166.3	-65.2	-66.6	0	0	0	114.1	D186 F189 K190 R253 Y254 A260 A261 Q262	D186-Y258 HydrophobicContact CB-CE2 4.42Å; D186-Y258 PolarHBondContact O-OH 3.03Å; D186-Y258 PolarHBondContact OD1-OH 2.87Å; D186-Y258 PolarHBondContact OD2-OH 3.23Å; F189-Y258 HydrophobicContact CB-CD1 4.28Å; F189-Y258 HydrophobicContact CB-CD2 3.62Å; F189-Y258 HydrophobicContact CB-CE1 4.48Å; F189-Y258 HydrophobicContact CB-CE2 3.83Å; F189-Y258 HydrophobicContact CB-CG 3.87Å; F189-Y258 AromaticContact CD2-CD2 3.95Å; F189-Y258 HydrophobicContact CD2-CD2 3.95Å; F189-Y258 HydrophobicContact CD2-CE2 4.21Å; F189-Y258 HydrophobicContact CG-CD2 4.2Å; K190-Y258 HydrophobicContact CB-CE1 3.94Å; R253-Y258 HydrophobicContact CG-CE2 4.43Å; Y254-Y258 CarbonylContact O-C 3.59Å; Y254-Y258 WeakPolarHBondContact O-CA 3.27Å; Y254-Y258 WeakPolarHBondContact O-CB 3.05Å; Y254-Y258 PolarHBondContact O-N 3.33Å; Y258-A260 VanDerWaalsContact C-N 3.34Å; Y258-A260 PolarHBondContact O-N 3.22Å; Y258-A261 PolarHBondContact O-N 3.14Å; Y258-Q262 WeakPolarHBondContact O-CB 3.32Å; Y258-Q262 WeakPolarHBondContact O-CG 3.17Å; Y258-Q262 PolarHBondContact O-N 3.22Å
259	Q	98.6	Very high	98.8	Very high	64 Å²	64	46.9 Å²	46.9	30%	0.299	26%	0.257	S	S	.	.	H	α-helix	trans	-61.3	-38.3	-168.3	-173.5	176.8	39.5	0	0	113.4	Y254 A261 Q262 Q263	Y254-Q259 HydrophobicContact CD1-CB 4.03Å; Y254-Q259 HydrophobicContact CD1-CG 4.49Å; Y254-Q259 HydrophobicContact CE1-CB 3.83Å; Y254-Q259 HydrophobicContact CE1-CG 4.03Å; Y254-Q259 PolarHBondContact O-N 3.14Å; Q259-A261 VanDerWaalsContact C-N 3.33Å; Q259-A261 PolarHBondContact O-N 3.48Å; Q259-Q262 PolarHBondContact O-N 2.62Å; Q259-Q263 WeakPolarHBondContact O-CA 3.39Å; Q259-Q263 PolarHBondContact O-N 3.12Å
260	A	98.5	Very high	98.8	Very high	94 Å²	94	45.9 Å²	45.9	78%	0.777	25%	0.249	S	C	*	.	H	α-helix	trans	-59.8	-41.9	180	0	0	0	0	0	112.7	Y258	Y258-A260 VanDerWaalsContact C-N 3.34Å; Y258-A260 PolarHBondContact O-N 3.22Å
261	A	98.6	Very high	98.8	Very high	89 Å²	89	46.2 Å²	46.2	74%	0.736	25%	0.251	S	S	*	.	H	α-helix	trans	-84.7	-35.9	179.7	0	0	0	0	0	112.6	Y258 Q259	Y258-A261 PolarHBondContact O-N 3.14Å; Q259-A261 VanDerWaalsContact C-N 3.33Å; Q259-A261 PolarHBondContact O-N 3.48Å
262	Q	98.8	Very high	98.8	Very high	7 Å²	7	46.1 Å²	46.1	3%	0.033	25%	0.25	C	S	.	.	H	α-helix	trans	-93	-27.4	-171.6	-64.3	-174.5	-5.1	0	0	113.7	F189 G193 K197 Y258 Q259 G264	F189-Q262 PolarHBondContact O-NE2 2.9Å; G193-Q262 VanDerWaalsContact C-CD 3.4Å; G193-Q262 VanDerWaalsContact CA-OE1 3.32Å; K197-Q262 VanDerWaalsContact CD-O 3.26Å; K197-Q262 WeakPolarHBondContact CD-O 3.25Å; K197-Q262 WeakPolarHBondContact CE-O 3.24Å; K197-Q262 PolarHBondContact NZ-O 3.49Å; Y258-Q262 WeakPolarHBondContact O-CB 3.32Å; Y258-Q262 WeakPolarHBondContact O-CG 3.17Å; Y258-Q262 PolarHBondContact O-N 3.22Å; Q259-Q262 PolarHBondContact O-N 2.62Å; Q262-G264 PolarHBondContact O-N 2.64Å; Q262-G264 VanDerWaalsContact O-N 3.09Å
263	Q	98.6	Very high	98.8	Very high	161 Å²	161	46 Å²	46	75%	0.752	25%	0.246	S	C	*	.			trans	51.7	30.5	179.6	-55.8	-179.7	-2.1	0	0	114.2	Q259	Q259-Q263 WeakPolarHBondContact O-CA 3.39Å; Q259-Q263 PolarHBondContact O-N 3.12Å
264	G	98.7	Very high	98.8	Very high	3 Å²	3	43.9 Å²	43.9	3%	0.031	24%	0.238	C	C	.	.			trans	-91	-174.9	172.9	0	0	0	0	0	112.2	K197 Y254 Q262	K197-G264 CarbonylContact O-C 3.45Å; K197-G264 VanDerWaalsContact O-CA 3.26Å; K197-G264 WeakPolarHBondContact O-CA 3.4Å; Y254-G264 WeakPolarHBondContact OH-CA 3.31Å; Y254-G264 PolarHBondContact OH-N 3.05Å; Q262-G264 PolarHBondContact O-N 2.64Å; Q262-G264 VanDerWaalsContact O-N 3.09Å
265	K	98.9	Very high	98.8	Very high	106 Å²	106	44.3 Å²	44.3	46%	0.461	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	150.2	-178.6	-69	-178.3	-178.5	-176.6	0	110.9	K197 W199 D336 Y337	K197-K265 PolarHBondContact O-N 3.18Å; W199-K265 PolarHBondContact N-O 3.29Å; K265-D336 WeakPolarHBondContact CA-OD2 3.39Å; K265-D336 HydrophobicContact CB-CB 3.92Å; K265-D336 HydrophobicContact CD-CB 4.36Å; K265-D336 HydrophobicContact CG-CB 4.17Å; K265-Y337 HydrophobicContact CB-CD1 4.15Å; K265-Y337 HydrophobicContact CB-CE1 3.35Å; K265-Y337 HydrophobicContact CD-CD1 3.99Å; K265-Y337 HydrophobicContact CD-CE1 3.82Å; K265-Y337 HydrophobicContact CG-CE1 4.23Å; K265-Y337 PolarHBondContact O-OH 2.69Å
266	V	99	Very high	98.8	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	122.2	178.5	-171.3	0	0	0	0	109.4	F189 W199 T201 V251 Y254 D336	F189-V266 HydrophobicContact CE1-CG2 4.34Å; F189-V266 HydrophobicContact CZ-CG2 4.3Å; W199-V266 HydrophobicContact CB-CB 4.35Å; W199-V266 HydrophobicContact CB-CG1 4.19Å; W199-V266 HydrophobicContact CB-CG2 4.04Å; W199-V266 HydrophobicContact CG-CG2 4.46Å; T201-V266 HydrophobicContact CG2-CG1 3.9Å; V251-V266 HydrophobicContact CG2-CB 4.17Å; V251-V266 HydrophobicContact CG2-CG1 3.79Å; Y254-V266 HydrophobicContact CD1-CG2 3.5Å; Y254-V266 VanDerWaalsContact CD1-CG2 3.5Å; Y254-V266 HydrophobicContact CD2-CG2 4.03Å; Y254-V266 HydrophobicContact CE1-CG2 3.93Å; Y254-V266 HydrophobicContact CE2-CG2 4.41Å; Y254-V266 HydrophobicContact CG-CG2 3.55Å; V266-D336 PolarHBondContact N-OD2 3.09Å; V266-D336 PolarHBondContact O-N 2.87Å
267	G	98.9	Very high	98.8	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	-164.2	172.4	0	0	0	0	0	112.5	W199 F200 T201 Y337	W199-G267 PolarHBondContact O-N 3.07Å; F200-G267 VanDerWaalsContact CA-O 3.3Å; F200-G267 WeakPolarHBondContact CA-O 3.13Å; T201-G267 PolarHBondContact N-O 3.48Å; G267-Y337 VanDerWaalsContact CA-O 3.24Å; G267-Y337 WeakPolarHBondContact CA-O 3.24Å
268	I	98.9	Very high	98.8	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.005	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	150.3	171.6	-171.3	168.9	0	0	0	108.9	F202 P205 H247 L270 L303 A335 G339	F202-I268 HydrophobicContact CB-CD1 4.18Å; F202-I268 HydrophobicContact CB-CG1 4.14Å; F202-I268 HydrophobicContact CD2-CD1 3.96Å; P205-I268 HydrophobicContact CG-CD1 4.4Å; H247-I268 HydrophobicContact CB-CD1 4.41Å; I268-L270 HydrophobicContact CD1-CD2 4.1Å; I268-L270 HydrophobicContact CG1-CD2 4.11Å; I268-L270 HydrophobicContact CG2-CD1 4.48Å; I268-L270 HydrophobicContact CG2-CD2 4.27Å; I268-L270 HydrophobicContact CG2-CG 4.25Å; I268-L303 HydrophobicContact CG2-CD1 3.65Å; I268-A335 HydrophobicContact CG2-CB 4.32Å; I268-G339 WeakPolarHBondContact O-CA 3.42Å; I268-G339 PolarHBondContact O-N 3.04Å
269	V	98.9	Very high	98.8	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	126.1	175.5	176.9	0	0	0	0	109.8	F200 F202 N203 E204 P205 G339 N341 T413	F200-V269 HydrophobicContact CB-CG2 3.96Å; F200-V269 HydrophobicContact CD1-CG2 3.43Å; F200-V269 VanDerWaalsContact CD1-CG2 3.43Å; F200-V269 HydrophobicContact CD2-CG2 4.05Å; F200-V269 HydrophobicContact CE1-CG2 3.82Å; F200-V269 HydrophobicContact CE2-CG2 4.38Å; F200-V269 HydrophobicContact CG-CG2 3.56Å; F200-V269 HydrophobicContact CZ-CG2 4.3Å; F202-V269 WeakPolarHBondContact O-CB 3.25Å; F202-V269 PolarHBondContact O-N 3.14Å; N203-V269 WeakPolarHBondContact OD1-CG1 3.32Å; E204-V269 PolarHBondContact N-O 3.35Å; P205-V269 WeakPolarHBondContact CD-O 3.2Å; V269-G339 WeakPolarHBondContact CA-O 3.41Å; V269-N341 VanDerWaalsContact CG1-CG 3.43Å; V269-N341 WeakPolarHBondContact CG1-OD1 3.46Å; V269-T413 VanDerWaalsContact CG1-OG1 3.27Å; V269-T413 WeakPolarHBondContact CG1-OG1 3.34Å; V269-T413 HydrophobicContact CG2-CG2 3.94Å
270	L	98.9	Very high	98.8	Very high	2 Å²	2	39 Å²	39	1%	0.01	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	137.8	-178.7	-53.1	175.8	0	0	0	109.1	P205 I268 I296 Y299 L300 L303 I338 G339 I340 N341	P205-L270 HydrophobicContact CG-CD2 3.88Å; I268-L270 HydrophobicContact CD1-CD2 4.1Å; I268-L270 HydrophobicContact CG1-CD2 4.11Å; I268-L270 HydrophobicContact CG2-CD1 4.48Å; I268-L270 HydrophobicContact CG2-CD2 4.27Å; I268-L270 HydrophobicContact CG2-CG 4.25Å; L270-I296 HydrophobicContact CB-CD1 3.63Å; L270-I296 HydrophobicContact CD1-CD1 3.75Å; L270-I296 HydrophobicContact CG-CD1 4.34Å; L270-Y299 HydrophobicContact CD2-CD1 4.29Å; L270-Y299 HydrophobicContact CD2-CG 3.93Å; L270-L300 HydrophobicContact CD1-CD2 3.96Å; L270-L300 HydrophobicContact CD1-CG 4.03Å; L270-L303 HydrophobicContact CD1-CD1 4.11Å; L270-I338 HydrophobicContact CD1-CG2 4.22Å; L270-G339 PolarHBondContact N-O 3.47Å; L270-I340 HydrophobicContact CB-CD1 4.43Å; L270-I340 CarbonylContact O-C 3.59Å; L270-I340 WeakPolarHBondContact O-CA 3.32Å; L270-N341 PolarHBondContact O-N 2.69Å
271	D	98.9	Very high	98.8	Very high	7 Å²	7	36.6 Å²	36.6	4%	0.037	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	139.2	168.2	54.3	-51.6	0	0	0	110.6	E204 R206 H295 N341	E204-D271 HydrophobicContact CB-CB 4.37Å; E204-D271 HydrophobicContact CG-CB 3.77Å; E204-D271 WeakPolarHBondContact OE1-CB 3.37Å; R206-D271 WeakPolarHBondContact CB-OD1 3.32Å; R206-D271 IonicContact CZ-OD2 3.58Å; R206-D271 IonicContact NE-OD1 2.85Å; R206-D271 IonicContact NE-OD2 3.05Å; R206-D271 PolarHBondContact NE-OD2 2.87Å; R206-D271 IonicContact NH2-OD2 3.52Å; R206-D271 PolarHBondContact NH2-OD2 3.19Å; D271-H295 PolarHBondContact O-CD2 3.42Å; D271-H295 PolarHBondContact O-NE2 3.31Å; D271-H295 IonicContact OD2-CE1 2.76Å; D271-H295 IonicContact OD2-NE2 3.06Å; D271-H295 PolarHBondContact OD2-NE2 3.16Å; D271-H295 VanDerWaalsContact OD2-NE2 3.12Å; D271-N341 HydrophobicContact CB-CB 4.49Å
272	F	98.9	Very high	98.8	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.204	C	C	.	.			trans	-147.2	99.2	170.2	-172.2	-155	0	0	0	111.6	W274 R292 I296 I340 N341 C397 Y400 I401	F272-W274 HydrophobicContact CZ-CE3 4.01Å; F272-W274 HydrophobicContact CZ-CZ3 4.13Å; F272-R292 HydrophobicContact CE2-CG 4.18Å; F272-R292 HydrophobicContact CZ-CG 4.21Å; F272-I296 HydrophobicContact CB-CB 4.23Å; F272-I296 HydrophobicContact CB-CD1 4.08Å; F272-I296 HydrophobicContact CB-CG1 4.12Å; F272-I296 HydrophobicContact CD1-CB 4.23Å; F272-I296 HydrophobicContact CD1-CG1 4.1Å; F272-I296 HydrophobicContact CD1-CG2 4.08Å; F272-I296 HydrophobicContact CD2-CB 3.66Å; F272-I296 HydrophobicContact CD2-CG1 4.35Å; F272-I296 HydrophobicContact CD2-CG2 3.64Å; F272-I296 HydrophobicContact CE1-CG2 3.91Å; F272-I296 HydrophobicContact CE2-CB 4.05Å; F272-I296 HydrophobicContact CE2-CG2 3.47Å; F272-I296 VanDerWaalsContact CE2-CG2 3.47Å; F272-I296 HydrophobicContact CG-CB 3.78Å; F272-I296 HydrophobicContact CG-CD1 4.45Å; F272-I296 HydrophobicContact CG-CG1 3.94Å; F272-I296 HydrophobicContact CG-CG2 3.96Å; F272-I296 HydrophobicContact CZ-CB 4.49Å; F272-I296 HydrophobicContact CZ-CG2 3.62Å; F272-I340 HydrophobicContact CB-CD1 4.41Å; F272-I340 HydrophobicContact CB-CG2 3.95Å; F272-N341 PolarHBondContact N-O 2.69Å; F272-C397 HydrophobicContact CD1-CB 3.52Å; F272-C397 VanDerWaalsContact CD1-SG 3.54Å; F272-C397 HydrophobicContact CE1-CB 3.64Å; F272-C397 HydrophobicContact CG-CB 4.28Å; F272-C397 HydrophobicContact CZ-CB 4.46Å; F272-C397 PolarHBondContact O-SG 2.8Å; F272-Y400 AromaticContact CE1-CD1 3.78Å; F272-Y400 HydrophobicContact CE1-CD1 3.78Å; F272-Y400 HydrophobicContact CE1-CE1 4.46Å; F272-Y400 AromaticContact CZ-CD1 3.74Å; F272-Y400 HydrophobicContact CZ-CD1 3.74Å; F272-Y400 HydrophobicContact CZ-CE1 4.15Å; F272-Y400 HydrophobicContact CZ-CG 4.45Å; F272-I401 HydrophobicContact CD1-CD1 3.9Å; F272-I401 HydrophobicContact CD1-CG1 4.3Å; F272-I401 HydrophobicContact CE1-CD1 4.29Å; F272-I401 HydrophobicContact CE1-CG1 4.2Å
273	N	98.9	Very high	98.8	Very high	25 Å²	25	42 Å²	42	13%	0.134	22%	0.221	C	C	.	.			trans	-87.2	147.7	165.7	-67.8	-42.9	0	0	0	110.7	Y343 T344	N273-Y343 PolarHBondContact OD1-N 2.66Å; N273-T344 WeakPolarHBondContact CA-O 3.31Å; N273-T344 HydrophobicContact CB-CG2 3.94Å; N273-T344 WeakPolarHBondContact CB-O 3.2Å; N273-T344 WeakPolarHBondContact OD1-CG2 3.44Å; N273-T344 PolarHBondContact OD1-N 3.36Å
274	W	98.9	Very high	98.8	Very high	24 Å²	24	34.7 Å²	34.7	9%	0.091	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	142.8	-173.3	-178.1	-109.5	0	0	0	112.3	F272 E276 T344 A345 S346 W392 G396 Y400	F272-W274 HydrophobicContact CZ-CE3 4.01Å; F272-W274 HydrophobicContact CZ-CZ3 4.13Å; W274-E276 PolarHBondContact NE1-OE2 2.54Å; W274-T344 PolarHBondContact N-O 3.22Å; W274-A345 HydrophobicContact CB-CB 3.77Å; W274-A345 HydrophobicContact CG-CB 4.42Å; W274-A345 CarbonylContact O-C 3.24Å; W274-A345 WeakPolarHBondContact O-CA 3.49Å; W274-S346 PolarHBondContact O-N 3.48Å; W274-W392 AromaticContact CD1-CE3 3.96Å; W274-W392 AromaticContact CD1-CZ3 3.28Å; W274-W392 HydrophobicContact CG-CZ3 4.48Å; W274-W392 AromaticContact NE1-CZ3 3.55Å; W274-G396 WeakPolarHBondContact CZ3-O 3.27Å; W274-Y400 HydrophobicContact CH2-CD2 4.39Å; W274-Y400 HydrophobicContact CH2-CG 4.38Å; W274-Y400 VanDerWaalsContact CZ3-CB 3.49Å; W274-Y400 HydrophobicContact CZ3-CD2 4.33Å; W274-Y400 AromaticContact CZ3-CG 3.94Å; W274-Y400 HydrophobicContact CZ3-CG 3.94Å
275	Y	98.9	Very high	98.8	Very high	9 Å²	9	37.9 Å²	37.9	4%	0.035	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	116.2	174.5	-62.1	-65.8	0	0	0	109.9	A291 R292 H295 S346 M348 W365 Y369	Y275-A291 HydrophobicContact CD1-CB 4.04Å; Y275-A291 HydrophobicContact CD2-CB 3.74Å; Y275-A291 HydrophobicContact CE1-CB 4.39Å; Y275-A291 HydrophobicContact CE2-CB 4.12Å; Y275-A291 HydrophobicContact CG-CB 3.67Å; Y275-R292 HydrophobicContact CD2-CG 4.04Å; Y275-R292 PolarHBondContact O-NH1 3.23Å; Y275-H295 HydrophobicContact CE2-CB 3.68Å; Y275-H295 AromaticContact CE2-CG 3.8Å; Y275-H295 AromaticContact CE2-ND1 3.32Å; Y275-H295 VanDerWaalsContact CE2-ND1 3.32Å; Y275-H295 WeakPolarHBondContact CE2-ND1 3.19Å; Y275-H295 AromaticContact CZ-ND1 3.43Å; Y275-H295 PolarHBondContact OH-ND1 2.86Å; Y275-S346 WeakPolarHBondContact CA-O 3.48Å; Y275-M348 HydrophobicContact CD1-CE 3.39Å; Y275-M348 HydrophobicContact CD1-CG 3.84Å; Y275-M348 HydrophobicContact CD1-SD 3.96Å; Y275-M348 HydrophobicContact CE1-CE 3.67Å; Y275-M348 HydrophobicContact CE1-SD 4.35Å; Y275-M348 HydrophobicContact CG-CG 4.17Å; Y275-W365 HydrophobicContact CE2-CZ3 4.34Å; Y275-W365 AromaticContact CZ-CZ3 3.95Å; Y275-Y369 AromaticContact CE1-CE1 3.82Å; Y275-Y369 HydrophobicContact CE1-CE1 3.82Å; Y275-Y369 PolarHBondContact OH-OH 3.36Å
276	E	98.9	Very high	98.8	Very high	63 Å²	63	34.7 Å²	34.7	29%	0.294	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	139.5	179.4	-172.7	62.5	-153.3	0	0	109.6	W274 L278 S346 Y347 M348 W392	W274-E276 PolarHBondContact NE1-OE2 2.54Å; E276-L278 PolarHBondContact O-N 2.97Å; E276-S346 PolarHBondContact N-O 3.17Å; E276-Y347 HydrophobicContact CB-CD1 3.7Å; E276-Y347 HydrophobicContact CB-CE1 3.94Å; E276-Y347 HydrophobicContact CG-CD1 3.83Å; E276-Y347 HydrophobicContact CG-CE1 3.71Å; E276-Y347 CarbonylContact O-C 3.42Å; E276-Y347 WeakPolarHBondContact O-CA 3.34Å; E276-M348 PolarHBondContact O-N 3.35Å; E276-W392 HydrophobicContact CB-CH2 3.85Å; E276-W392 HydrophobicContact CB-CZ3 3.98Å; E276-W392 HydrophobicContact CG-CH2 4.08Å; E276-W392 HydrophobicContact CG-CZ3 4.15Å
277	A	98.8	Very high	98.8	Very high	2 Å²	2	34.7 Å²	34.7	2%	0.017	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	133.8	174.7	0	0	0	0	0	110.3	S279 D284 Q285 A288	A277-S279 WeakPolarHBondContact CB-O 3.36Å; A277-S279 PolarHBondContact O-N 2.75Å; A277-D284 HydrophobicContact CB-CB 4.19Å; A277-Q285 HydrophobicContact CB-CG 4.13Å; A277-A288 HydrophobicContact CB-CB 4Å
278	L	98.7	Very high	98.8	Very high	34 Å²	34	34.7 Å²	34.7	18%	0.178	19%	0.194	C	C	.	.	S	Bend	trans	-60.4	-48.5	-180	178	63.7	0	0	0	110.9	E276 Y347 M348 K349 V370 K373	E276-L278 PolarHBondContact O-N 2.97Å; L278-Y347 HydrophobicContact CD1-CG 4.28Å; L278-M348 WeakPolarHBondContact CB-O 3.37Å; L278-M348 PolarHBondContact N-O 2.76Å; L278-K349 HydrophobicContact CB-CB 4.48Å; L278-K349 HydrophobicContact CD2-CB 3.95Å; L278-K349 HydrophobicContact CD2-CD 4.26Å; L278-K349 HydrophobicContact CD2-CG 4.12Å; L278-V370 HydrophobicContact CD1-CB 4.47Å; L278-V370 HydrophobicContact CD1-CG1 4.07Å; L278-V370 HydrophobicContact CD2-CG1 4.39Å; L278-V370 HydrophobicContact CD2-CG2 4.22Å; L278-K373 HydrophobicContact CD1-CB 4.12Å; L278-K373 HydrophobicContact CD1-CG 4.24Å; L278-K373 WeakPolarHBondContact O-CD 3.46Å; L278-K373 WeakPolarHBondContact O-CE 3.49Å; L278-K373 PolarHBondContact O-NZ 3.49Å
279	S	98.6	Very high	98.8	Very high	50 Å²	50	37.2 Å²	37.2	35%	0.35	21%	0.206	S	C	.	.	S	Bend	trans	-123.4	176.7	170.8	76.7	0	0	0	0	111.3	A277 S281 D284	A277-S279 WeakPolarHBondContact CB-O 3.36Å; A277-S279 PolarHBondContact O-N 2.75Å; S279-S281 PolarHBondContact O-N 3.2Å; S279-S281 WeakPolarHBondContact OG-CB 3.5Å; S279-S281 PolarHBondContact OG-N 3.17Å; S279-S281 PolarHBondContact OG-OG 2.56Å; S279-D284 VanDerWaalsContact CB-OD2 3.28Å; S279-D284 WeakPolarHBondContact CB-OD2 3.16Å; S279-D284 PolarHBondContact N-OD2 3.11Å; S279-D284 PolarHBondContact OG-OD2 3.43Å
280	N	98.5	Very high	98.8	Very high	141 Å²	141	38 Å²	38	75%	0.754	21%	0.208	S	C	*	.	S	Bend	trans	-85.8	16.2	175	-158.3	40.8	0	0	0	113.1	Q285	N280-Q285 PolarHBondContact OD1-NE2 2.71Å
281	S	98.7	Very high	98.8	Very high	45 Å²	45	37.9 Å²	37.9	32%	0.315	21%	0.208	S	C	.	.	S	Bend	trans	-67	151.8	175.6	73.7	0	0	0	0	110.7	S279 E283 D284 Q285	S279-S281 PolarHBondContact O-N 3.2Å; S279-S281 WeakPolarHBondContact OG-CB 3.5Å; S279-S281 PolarHBondContact OG-N 3.17Å; S279-S281 PolarHBondContact OG-OG 2.56Å; S281-E283 PolarHBondContact O-N 3.26Å; S281-D284 PolarHBondContact O-N 3.15Å; S281-D284 WeakPolarHBondContact OG-CB 3.42Å; S281-D284 PolarHBondContact OG-N 2.89Å; S281-D284 VanDerWaalsContact OG-N 3.12Å; S281-Q285 WeakPolarHBondContact O-CB 3.35Å; S281-Q285 WeakPolarHBondContact O-CG 3.42Å; S281-Q285 PolarHBondContact O-N 3.1Å
282	T	98.6	Very high	98.8	Very high	128 Å²	128	38.5 Å²	38.5	79%	0.785	21%	0.21	S	C	*	.	H	α-helix	trans	-53.5	-39	174.7	-53.5	0	0	0	0	111.6	A286	T282-A286 WeakPolarHBondContact O-CB 3.41Å; T282-A286 PolarHBondContact O-N 2.74Å
283	E	98.5	Very high	98.8	Very high	82 Å²	82	39.2 Å²	39.2	38%	0.383	21%	0.214	S	C	.	.	H	α-helix	trans	-68.6	-46.2	-177.4	-179.8	174.8	100.1	0	0	112.6	S281 A286 A287 G350 Q351 Q352	S281-E283 PolarHBondContact O-N 3.26Å; E283-A286 PolarHBondContact O-N 3.42Å; E283-A287 WeakPolarHBondContact O-CB 3.11Å; E283-A287 PolarHBondContact O-N 3.01Å; E283-G350 VanDerWaalsContact CD-C 3.46Å; E283-Q351 VanDerWaalsContact CD-C 3.46Å; E283-Q351 WeakPolarHBondContact OE1-CA 3.23Å; E283-Q351 PolarHBondContact OE1-N 2.87Å; E283-Q351 WeakPolarHBondContact OE2-CA 3.45Å; E283-Q352 PolarHBondContact OE2-N 3.25Å; E283-Q352 VanDerWaalsContact OE2-N 3.14Å
284	D	98.8	Very high	98.8	Very high	6 Å²	6	38 Å²	38	3%	0.032	21%	0.207	C	C	.	.	H	α-helix	trans	-71	-38.3	179.3	-71.7	-15.7	0	0	0	111.6	A277 S279 S281 A287 A288 K349 G350	A277-D284 HydrophobicContact CB-CB 4.19Å; S279-D284 VanDerWaalsContact CB-OD2 3.28Å; S279-D284 WeakPolarHBondContact CB-OD2 3.16Å; S279-D284 PolarHBondContact N-OD2 3.11Å; S279-D284 PolarHBondContact OG-OD2 3.43Å; S281-D284 PolarHBondContact O-N 3.15Å; S281-D284 WeakPolarHBondContact OG-CB 3.42Å; S281-D284 PolarHBondContact OG-N 2.89Å; S281-D284 VanDerWaalsContact OG-N 3.12Å; D284-A287 PolarHBondContact O-N 3.49Å; D284-A288 PolarHBondContact O-N 2.85Å; D284-K349 WeakPolarHBondContact OD1-CA 3.17Å; D284-G350 PolarHBondContact OD1-N 3.36Å
285	Q	98.9	Very high	98.8	Very high	71 Å²	71	37 Å²	37	33%	0.332	20%	0.203	S	C	.	.	H	α-helix	trans	-63	-44.3	174.3	-70.6	-68.2	2.5	0	0	111.3	A277 N280 S281 A287 A288 Q289	A277-Q285 HydrophobicContact CB-CG 4.13Å; N280-Q285 PolarHBondContact OD1-NE2 2.71Å; S281-Q285 WeakPolarHBondContact O-CB 3.35Å; S281-Q285 WeakPolarHBondContact O-CG 3.42Å; S281-Q285 PolarHBondContact O-N 3.1Å; Q285-A287 VanDerWaalsContact C-N 3.35Å; Q285-A287 PolarHBondContact O-N 2.8Å; Q285-A288 PolarHBondContact O-N 3.04Å; Q285-Q289 PolarHBondContact O-N 3.16Å
286	A	98.8	Very high	98.8	Very high	39 Å²	39	36.5 Å²	36.5	32%	0.322	20%	0.202	S	C	.	.	H	α-helix	trans	-61.6	-42.4	174.3	0	0	0	0	0	111.4	T282 E283 Q289 R290	T282-A286 WeakPolarHBondContact O-CB 3.41Å; T282-A286 PolarHBondContact O-N 2.74Å; E283-A286 PolarHBondContact O-N 3.42Å; A286-Q289 PolarHBondContact O-N 2.97Å; A286-R290 VanDerWaalsContact O-CG 3.31Å; A286-R290 WeakPolarHBondContact O-CG 3.4Å; A286-R290 PolarHBondContact O-N 2.97Å
287	A	98.9	Very high	98.8	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-64.2	-43.9	177.8	0	0	0	0	0	113	E283 D284 Q285 Q289 R290 A291 M348 V367	E283-A287 WeakPolarHBondContact O-CB 3.11Å; E283-A287 PolarHBondContact O-N 3.01Å; D284-A287 PolarHBondContact O-N 3.49Å; Q285-A287 VanDerWaalsContact C-N 3.35Å; Q285-A287 PolarHBondContact O-N 2.8Å; A287-Q289 VanDerWaalsContact C-N 3.28Å; A287-Q289 PolarHBondContact O-N 2.99Å; A287-R290 PolarHBondContact O-N 2.95Å; A287-A291 WeakPolarHBondContact O-CB 3.23Å; A287-A291 PolarHBondContact O-N 3.19Å; A287-M348 HydrophobicContact CB-CB 4.36Å; A287-V367 HydrophobicContact CB-CG1 3.9Å; A287-V367 WeakPolarHBondContact O-CG1 3.29Å
288	A	98.9	Very high	98.8	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-60.8	-39.9	174.4	0	0	0	0	0	111.5	A277 D284 Q285 A291 R292 M348	A277-A288 HydrophobicContact CB-CB 4Å; D284-A288 PolarHBondContact O-N 2.85Å; Q285-A288 PolarHBondContact O-N 3.04Å; A288-A291 PolarHBondContact O-N 2.94Å; A288-R292 WeakPolarHBondContact O-CG 3.47Å; A288-R292 PolarHBondContact O-N 2.94Å; A288-R292 VanDerWaalsContact O-N 3.08Å; A288-M348 HydrophobicContact CB-CB 4.13Å
289	Q	98.9	Very high	98.8	Very high	53 Å²	53	32 Å²	32	25%	0.248	18%	0.179	C	C	.	.	H	α-helix	trans	-66.1	-44.3	175.4	-173.2	52.8	41.7	0	0	112.3	Q285 A286 A287 A291 R292 D293 Y400	Q285-Q289 PolarHBondContact O-N 3.16Å; A286-Q289 PolarHBondContact O-N 2.97Å; A287-Q289 VanDerWaalsContact C-N 3.28Å; A287-Q289 PolarHBondContact O-N 2.99Å; Q289-A291 VanDerWaalsContact C-N 3.33Å; Q289-A291 PolarHBondContact O-N 3.45Å; Q289-R292 PolarHBondContact O-N 2.72Å; Q289-R292 VanDerWaalsContact OE1-NE 3.16Å; Q289-D293 VanDerWaalsContact NE2-CG 3.31Å; Q289-D293 PolarHBondContact NE2-OD1 3.13Å; Q289-D293 VanDerWaalsContact NE2-OD1 3.07Å; Q289-D293 PolarHBondContact NE2-OD2 3.11Å; Q289-D293 PolarHBondContact O-N 2.81Å; Q289-Y400 PolarHBondContact NE2-OH 3.43Å
290	R	98.9	Very high	98.8	Very high	16 Å²	16	29.6 Å²	29.6	6%	0.06	16%	0.162	C	C	.	.	H	α-helix	trans	-57.7	-45.2	174.1	-70.5	-159.6	-61.9	-82.9	4.5	111.9	A286 A287 R292 D293 F294 I311 W365 Q366 V367	A286-R290 VanDerWaalsContact O-CG 3.31Å; A286-R290 WeakPolarHBondContact O-CG 3.4Å; A286-R290 PolarHBondContact O-N 2.97Å; A287-R290 PolarHBondContact O-N 2.95Å; R290-R292 VanDerWaalsContact C-N 3.33Å; R290-R292 PolarHBondContact O-N 2.87Å; R290-D293 PolarHBondContact O-N 2.99Å; R290-F294 WeakPolarHBondContact O-CD2 3.49Å; R290-F294 PolarHBondContact O-N 3.38Å; R290-I311 HydrophobicContact CG-CG1 3.95Å; R290-W365 PolarHBondContact NE-O 2.95Å; R290-W365 VanDerWaalsContact NE-O 3.1Å; R290-Q366 PolarHBondContact NH2-O 2.84Å; R290-V367 HydrophobicContact CB-CG1 4.38Å
291	A	98.9	Very high	98.9	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-60.8	-41.7	177.5	0	0	0	0	0	111.9	Y275 A287 A288 Q289 H295 M348 W365	Y275-A291 HydrophobicContact CD1-CB 4.04Å; Y275-A291 HydrophobicContact CD2-CB 3.74Å; Y275-A291 HydrophobicContact CE1-CB 4.39Å; Y275-A291 HydrophobicContact CE2-CB 4.12Å; Y275-A291 HydrophobicContact CG-CB 3.67Å; A287-A291 WeakPolarHBondContact O-CB 3.23Å; A287-A291 PolarHBondContact O-N 3.19Å; A288-A291 PolarHBondContact O-N 2.94Å; Q289-A291 VanDerWaalsContact C-N 3.33Å; Q289-A291 PolarHBondContact O-N 3.45Å; A291-H295 WeakPolarHBondContact O-CB 3.35Å; A291-H295 PolarHBondContact O-N 2.78Å; A291-M348 HydrophobicContact CB-CG 3.78Å; A291-M348 HydrophobicContact CB-SD 3.99Å; A291-W365 HydrophobicContact CB-CE3 3.96Å; A291-W365 HydrophobicContact CB-CZ3 4Å
292	R	98.9	Very high	98.9	Very high	21 Å²	21	21.2 Å²	21.2	8%	0.079	11%	0.114	C	C	.	.	H	α-helix	trans	-63.1	-43.8	174	-69	-178.7	-67.5	-102.3	3.2	111.9	F272 Y275 A288 Q289 R290 H295 I296 G297 Y400	F272-R292 HydrophobicContact CE2-CG 4.18Å; F272-R292 HydrophobicContact CZ-CG 4.21Å; Y275-R292 HydrophobicContact CD2-CG 4.04Å; Y275-R292 PolarHBondContact O-NH1 3.23Å; A288-R292 WeakPolarHBondContact O-CG 3.47Å; A288-R292 PolarHBondContact O-N 2.94Å; A288-R292 VanDerWaalsContact O-N 3.08Å; Q289-R292 PolarHBondContact O-N 2.72Å; Q289-R292 VanDerWaalsContact OE1-NE 3.16Å; R290-R292 VanDerWaalsContact C-N 3.33Å; R290-R292 PolarHBondContact O-N 2.87Å; R292-H295 PolarHBondContact O-N 2.88Å; R292-I296 VanDerWaalsContact O-CG2 3.25Å; R292-I296 WeakPolarHBondContact O-CG2 3.44Å; R292-I296 PolarHBondContact O-N 2.91Å; R292-G297 PolarHBondContact O-N 3.03Å; R292-G297 VanDerWaalsContact O-N 3.08Å; R292-Y400 HydrophobicContact CB-CE1 4.19Å; R292-Y400 HydrophobicContact CB-CE2 4.47Å
293	D	98.9	Very high	98.9	Very high	15 Å²	15	15.1 Å²	15.1	8%	0.08	8%	0.077	C	C	.	.	I	π-helix	trans	-67.1	-42.8	179.9	-69.5	-35.6	0	0	0	112	Q289 R290 H295 G297 W298 P309 I311 Y400 K404	Q289-D293 VanDerWaalsContact NE2-CG 3.31Å; Q289-D293 PolarHBondContact NE2-OD1 3.13Å; Q289-D293 VanDerWaalsContact NE2-OD1 3.07Å; Q289-D293 PolarHBondContact NE2-OD2 3.11Å; Q289-D293 PolarHBondContact O-N 2.81Å; R290-D293 PolarHBondContact O-N 2.99Å; D293-H295 VanDerWaalsContact C-N 3.35Å; D293-H295 PolarHBondContact O-N 3.38Å; D293-G297 CarbonylContact O-C 3.32Å; D293-G297 VanDerWaalsContact O-C 3.24Å; D293-G297 WeakPolarHBondContact O-CA 3.5Å; D293-G297 PolarHBondContact O-N 3.03Å; D293-W298 PolarHBondContact O-N 3.38Å; D293-P309 HydrophobicContact CB-CB 3.94Å; D293-P309 HydrophobicContact CB-CG 4.29Å; D293-I311 HydrophobicContact CB-CG2 3.76Å; D293-Y400 PolarHBondContact OD1-OH 2.88Å; D293-K404 WeakPolarHBondContact OD1-CE 3.49Å; D293-K404 IonicContact OD1-NZ 3.75Å; D293-K404 PolarHBondContact OD1-NZ 3.15Å
294	F	98.9	Very high	98.9	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.069	C	C	.	.	I	π-helix	trans	-71.9	-25.1	176.4	-88.4	-97.2	0	0	0	114.1	R290 I311 M312 L315 V316 Y361 D364 W365	R290-F294 WeakPolarHBondContact O-CD2 3.49Å; R290-F294 PolarHBondContact O-N 3.38Å; F294-I311 HydrophobicContact CD2-CG2 4.5Å; F294-I311 HydrophobicContact CE2-CG2 4.29Å; F294-M312 HydrophobicContact CD1-CE 3.7Å; F294-M312 HydrophobicContact CD1-CG 4.01Å; F294-M312 HydrophobicContact CD1-SD 4.25Å; F294-M312 HydrophobicContact CD2-CG 3.87Å; F294-M312 HydrophobicContact CE1-CE 3.93Å; F294-M312 HydrophobicContact CE1-CG 3.97Å; F294-M312 HydrophobicContact CE2-CG 3.81Å; F294-M312 HydrophobicContact CG-CE 4.35Å; F294-M312 HydrophobicContact CG-CG 3.98Å; F294-M312 HydrophobicContact CG-SD 4.32Å; F294-M312 HydrophobicContact CZ-CB 4.37Å; F294-M312 HydrophobicContact CZ-CG 3.87Å; F294-L315 HydrophobicContact CE2-CD1 4.07Å; F294-L315 HydrophobicContact CZ-CB 4.31Å; F294-L315 HydrophobicContact CZ-CD1 4.19Å; F294-V316 HydrophobicContact CE1-CG2 3.75Å; F294-V316 HydrophobicContact CZ-CG2 3.94Å; F294-Y361 HydrophobicContact CD1-CD2 4.31Å; F294-Y361 AromaticContact CD1-CE2 3.98Å; F294-Y361 HydrophobicContact CD1-CE2 3.98Å; F294-Y361 PolarHBondContact O-OH 3Å; F294-D364 HydrophobicContact CE1-CB 3.86Å; F294-D364 HydrophobicContact CZ-CB 4.24Å; F294-W365 HydrophobicContact CB-CD2 3.64Å; F294-W365 HydrophobicContact CB-CE3 4.28Å; F294-W365 HydrophobicContact CB-CG 3.81Å; F294-W365 HydrophobicContact CB-CZ2 4.09Å; F294-W365 AromaticContact CD1-CD1 3.21Å; F294-W365 HydrophobicContact CD1-CG 4.01Å; F294-W365 AromaticContact CD1-NE1 3.48Å; F294-W365 HydrophobicContact CD2-CG 4.39Å; F294-W365 AromaticContact CE1-CD1 3.86Å; F294-W365 AromaticContact CG-CD1 3.48Å; F294-W365 VanDerWaalsContact CG-CD1 3.48Å; F294-W365 HydrophobicContact CG-CD2 4.21Å; F294-W365 AromaticContact CG-CG 3.83Å; F294-W365 HydrophobicContact CG-CG 3.83Å; F294-W365 AromaticContact CG-NE1 3.78Å
295	H	98.9	Very high	98.9	Very high	1 Å²	1	15.7 Å²	15.7	1%	0.005	8%	0.082	C	C	.	.	I	π-helix	trans	-85.5	-71	178	-169.2	138	0	0	0	111.5	R206 D271 Y275 A291 R292 D293 W365	R206-H295 VanDerWaalsContact CD-CD2 3.47Å; R206-H295 WeakPolarHBondContact CD-CD2 3.33Å; R206-H295 WeakPolarHBondContact CD-O 3.45Å; R206-H295 PolarHBondContact NE-CD2 3.47Å; R206-H295 PolarHBondContact NE-NE2 3.15Å; D271-H295 PolarHBondContact O-CD2 3.42Å; D271-H295 PolarHBondContact O-NE2 3.31Å; D271-H295 IonicContact OD2-CE1 2.76Å; D271-H295 IonicContact OD2-NE2 3.06Å; D271-H295 PolarHBondContact OD2-NE2 3.16Å; D271-H295 VanDerWaalsContact OD2-NE2 3.12Å; Y275-H295 HydrophobicContact CE2-CB 3.68Å; Y275-H295 AromaticContact CE2-CG 3.8Å; Y275-H295 AromaticContact CE2-ND1 3.32Å; Y275-H295 VanDerWaalsContact CE2-ND1 3.32Å; Y275-H295 WeakPolarHBondContact CE2-ND1 3.19Å; Y275-H295 AromaticContact CZ-ND1 3.43Å; Y275-H295 PolarHBondContact OH-ND1 2.86Å; A291-H295 WeakPolarHBondContact O-CB 3.35Å; A291-H295 PolarHBondContact O-N 2.78Å; R292-H295 PolarHBondContact O-N 2.88Å; D293-H295 VanDerWaalsContact C-N 3.35Å; D293-H295 PolarHBondContact O-N 3.38Å; H295-W365 HydrophobicContact CB-CH2 3.98Å
296	I	98.9	Very high	98.9	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.072	C	C	.	.	I	π-helix	trans	-95.1	-35.1	-173.2	-170	58.5	0	0	0	111.9	L270 F272 R292 W298 Y299 L300 I340 Y400	L270-I296 HydrophobicContact CB-CD1 3.63Å; L270-I296 HydrophobicContact CD1-CD1 3.75Å; L270-I296 HydrophobicContact CG-CD1 4.34Å; F272-I296 HydrophobicContact CB-CB 4.23Å; F272-I296 HydrophobicContact CB-CD1 4.08Å; F272-I296 HydrophobicContact CB-CG1 4.12Å; F272-I296 HydrophobicContact CD1-CB 4.23Å; F272-I296 HydrophobicContact CD1-CG1 4.1Å; F272-I296 HydrophobicContact CD1-CG2 4.08Å; F272-I296 HydrophobicContact CD2-CB 3.66Å; F272-I296 HydrophobicContact CD2-CG1 4.35Å; F272-I296 HydrophobicContact CD2-CG2 3.64Å; F272-I296 HydrophobicContact CE1-CG2 3.91Å; F272-I296 HydrophobicContact CE2-CB 4.05Å; F272-I296 HydrophobicContact CE2-CG2 3.47Å; F272-I296 VanDerWaalsContact CE2-CG2 3.47Å; F272-I296 HydrophobicContact CG-CB 3.78Å; F272-I296 HydrophobicContact CG-CD1 4.45Å; F272-I296 HydrophobicContact CG-CG1 3.94Å; F272-I296 HydrophobicContact CG-CG2 3.96Å; F272-I296 HydrophobicContact CZ-CB 4.49Å; F272-I296 HydrophobicContact CZ-CG2 3.62Å; R292-I296 VanDerWaalsContact O-CG2 3.25Å; R292-I296 WeakPolarHBondContact O-CG2 3.44Å; R292-I296 PolarHBondContact O-N 2.91Å; I296-W298 PolarHBondContact O-N 2.92Å; I296-Y299 PolarHBondContact O-N 3.07Å; I296-L300 HydrophobicContact CD1-CD1 4.13Å; I296-L300 HydrophobicContact CD1-CG 4.05Å; I296-L300 HydrophobicContact CG1-CD1 3.58Å; I296-L300 HydrophobicContact CG1-CG 3.89Å; I296-L300 WeakPolarHBondContact O-CB 3.47Å; I296-L300 PolarHBondContact O-N 3.26Å; I296-I340 HydrophobicContact CD1-CD1 4Å; I296-Y400 HydrophobicContact CG2-CE1 4.13Å
297	G	98.9	Very high	98.9	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.076	C	C	.	.	I	π-helix	trans	-62	-30.3	178.3	0	0	0	0	0	112.8	R292 D293 Y299 L300 D301 P302 P309 Y405	R292-G297 PolarHBondContact O-N 3.03Å; R292-G297 VanDerWaalsContact O-N 3.08Å; D293-G297 CarbonylContact O-C 3.32Å; D293-G297 VanDerWaalsContact O-C 3.24Å; D293-G297 WeakPolarHBondContact O-CA 3.5Å; D293-G297 PolarHBondContact O-N 3.03Å; G297-Y299 PolarHBondContact O-N 3.49Å; G297-L300 PolarHBondContact O-N 2.96Å; G297-D301 WeakPolarHBondContact CA-OD2 3.35Å; G297-D301 WeakPolarHBondContact O-CB 3.33Å; G297-D301 PolarHBondContact O-N 2.9Å; G297-P302 WeakPolarHBondContact O-CD 3.27Å; G297-P309 WeakPolarHBondContact O-CD 3.49Å; G297-P309 VanDerWaalsContact O-CG 3.29Å; G297-P309 WeakPolarHBondContact O-CG 3.47Å; G297-Y405 WeakPolarHBondContact CA-OH 3.47Å
298	W	98.9	Very high	98.9	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-53.3	-30.1	177.3	-169.2	16.9	0	0	0	113.1	R206 A209 P236 Y237 A240 D293 I296 P302 Y308 M312 Y361	R206-W298 HydrophobicContact CG-CE3 3.96Å; R206-W298 HydrophobicContact CG-CZ3 3.96Å; A209-W298 HydrophobicContact CB-CH2 3.85Å; A209-W298 HydrophobicContact CB-CZ3 4.19Å; P236-W298 HydrophobicContact CB-CH2 4.09Å; P236-W298 WeakPolarHBondContact O-CH2 3.11Å; P236-W298 WeakPolarHBondContact O-CZ2 3.44Å; Y237-W298 HydrophobicContact CD1-CH2 4.48Å; Y237-W298 AromaticContact CD1-CZ2 3.6Å; Y237-W298 HydrophobicContact CD1-CZ2 3.6Å; Y237-W298 HydrophobicContact CE1-CZ2 4.05Å; Y237-W298 HydrophobicContact CG-CZ2 4.43Å; A240-W298 HydrophobicContact CB-CD2 4.22Å; A240-W298 VanDerWaalsContact CB-CE2 3.42Å; A240-W298 HydrophobicContact CB-CH2 3.79Å; A240-W298 HydrophobicContact CB-CZ2 3.2Å; A240-W298 HydrophobicContact CB-CZ3 4.49Å; D293-W298 PolarHBondContact O-N 3.38Å; I296-W298 PolarHBondContact O-N 2.92Å; W298-P302 WeakPolarHBondContact O-CG 3.42Å; W298-Y308 AromaticContact CD1-CD1 3.76Å; W298-Y308 AromaticContact CD1-CE1 3.62Å; W298-Y308 AromaticContact NE1-CE1 3.87Å; W298-Y308 WeakPolarHBondContact O-CD1 3.29Å; W298-Y308 WeakPolarHBondContact O-CE1 3.26Å; W298-M312 HydrophobicContact CB-CE 4.1Å; W298-M312 HydrophobicContact CB-SD 3.7Å; W298-M312 HydrophobicContact CD2-CE 3.93Å; W298-M312 HydrophobicContact CG-CE 3.56Å; W298-M312 HydrophobicContact CG-SD 3.79Å; W298-Y361 HydrophobicContact CD2-CE2 4.17Å; W298-Y361 HydrophobicContact CE3-CD2 4.39Å; W298-Y361 AromaticContact CE3-CE2 3.49Å; W298-Y361 HydrophobicContact CE3-CE2 3.49Å; W298-Y361 VanDerWaalsContact CE3-CE2 3.49Å; W298-Y361 AromaticContact CE3-CZ 3.65Å; W298-Y361 AromaticContact CH2-CD2 3.89Å; W298-Y361 HydrophobicContact CH2-CD2 3.89Å; W298-Y361 AromaticContact CH2-CE2 3.79Å; W298-Y361 HydrophobicContact CH2-CE2 3.79Å; W298-Y361 HydrophobicContact CH2-CG 4.39Å; W298-Y361 HydrophobicContact CZ2-CD2 4.44Å; W298-Y361 HydrophobicContact CZ2-CE2 4.39Å; W298-Y361 AromaticContact CZ3-CD2 3.86Å; W298-Y361 HydrophobicContact CZ3-CD2 3.86Å; W298-Y361 HydrophobicContact CZ3-CE1 4.05Å; W298-Y361 AromaticContact CZ3-CE2 3.29Å; W298-Y361 HydrophobicContact CZ3-CE2 3.29Å; W298-Y361 HydrophobicContact CZ3-CG 4.43Å; W298-Y361 AromaticContact CZ3-CZ 3.36Å
299	Y	99	Very high	98.9	Very high	3 Å²	3	15.7 Å²	15.7	1%	0.012	8%	0.078	C	C	.	.	H	α-helix	trans	-109.5	-40.4	176.7	-61.3	-88.1	0	0	0	112.4	P205 R206 A240 L244 L270 I296 G297 P302 L303	P205-Y299 VanDerWaalsContact C-OH 3.24Å; P205-Y299 HydrophobicContact CB-CD1 4.4Å; P205-Y299 HydrophobicContact CB-CE1 3.62Å; P205-Y299 HydrophobicContact CG-CD1 3.71Å; P205-Y299 HydrophobicContact CG-CE1 3.4Å; P205-Y299 HydrophobicContact CG-CE2 4.48Å; P205-Y299 HydrophobicContact CG-CG 4.37Å; P205-Y299 PolarHBondContact O-OH 2.84Å; R206-Y299 WeakPolarHBondContact CA-OH 3.49Å; R206-Y299 HydrophobicContact CB-CD2 4.44Å; R206-Y299 HydrophobicContact CB-CE2 3.59Å; R206-Y299 HydrophobicContact CG-CE2 4.05Å; R206-Y299 PolarHBondContact N-OH 2.89Å; A240-Y299 HydrophobicContact CB-CE1 4.01Å; A240-Y299 VanDerWaalsContact CB-OH 3.25Å; A240-Y299 WeakPolarHBondContact CB-OH 3.25Å; L244-Y299 HydrophobicContact CD1-CD1 4.36Å; L244-Y299 HydrophobicContact CD2-CD1 4.15Å; L244-Y299 HydrophobicContact CG-CD1 4.14Å; L270-Y299 HydrophobicContact CD2-CD1 4.29Å; L270-Y299 HydrophobicContact CD2-CG 3.93Å; I296-Y299 PolarHBondContact O-N 3.07Å; G297-Y299 PolarHBondContact O-N 3.49Å; Y299-P302 WeakPolarHBondContact O-CD 3.18Å; Y299-L303 WeakPolarHBondContact O-CB 3.24Å; Y299-L303 VanDerWaalsContact O-CD1 3.31Å; Y299-L303 WeakPolarHBondContact O-CD1 3.26Å; Y299-L303 WeakPolarHBondContact O-CG 3.43Å; Y299-L303 PolarHBondContact O-N 3.43Å; Y299-L303 VanDerWaalsContact O-N 3.12Å
300	L	98.9	Very high	98.9	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-69.5	-39.1	-177.5	-83.9	-171.3	0	0	0	114	L270 I296 G297 L303 I304 I338 I401 Y405	L270-L300 HydrophobicContact CD1-CD2 3.96Å; L270-L300 HydrophobicContact CD1-CG 4.03Å; I296-L300 HydrophobicContact CD1-CD1 4.13Å; I296-L300 HydrophobicContact CD1-CG 4.05Å; I296-L300 HydrophobicContact CG1-CD1 3.58Å; I296-L300 HydrophobicContact CG1-CG 3.89Å; I296-L300 WeakPolarHBondContact O-CB 3.47Å; I296-L300 PolarHBondContact O-N 3.26Å; G297-L300 PolarHBondContact O-N 2.96Å; L300-L303 PolarHBondContact O-N 3.08Å; L300-I304 HydrophobicContact CD2-CG1 4.27Å; L300-I304 WeakPolarHBondContact O-CB 3.37Å; L300-I304 WeakPolarHBondContact O-CG1 3.42Å; L300-I304 PolarHBondContact O-N 3.5Å; L300-I338 HydrophobicContact CD2-CB 4.49Å; L300-I338 HydrophobicContact CD2-CD1 3.76Å; L300-I338 HydrophobicContact CD2-CG1 3.85Å; L300-I338 HydrophobicContact CD2-CG2 3.84Å; L300-I401 HydrophobicContact CD1-CD1 4.29Å; L300-I401 HydrophobicContact CD1-CG1 4.05Å; L300-Y405 HydrophobicContact CB-CD1 4.32Å; L300-Y405 HydrophobicContact CB-CD2 4.46Å; L300-Y405 HydrophobicContact CB-CE1 3.83Å; L300-Y405 HydrophobicContact CB-CE2 3.98Å; L300-Y405 HydrophobicContact CD1-CD2 3.69Å; L300-Y405 HydrophobicContact CD1-CE2 3.6Å; L300-Y405 HydrophobicContact CD1-CG 4.34Å; L300-Y405 HydrophobicContact CG-CE2 4.46Å
301	D	98.9	Very high	98.9	Very high	11 Å²	11	19.2 Å²	19.2	6%	0.059	10%	0.097	C	C	.	.	H	α-helix	trans	-63.1	-43.4	177.6	-81.2	-93.6	0	0	0	111.5	G297 L303 N305 G306 H307 P309 Y405	G297-D301 WeakPolarHBondContact CA-OD2 3.35Å; G297-D301 WeakPolarHBondContact O-CB 3.33Å; G297-D301 PolarHBondContact O-N 2.9Å; D301-L303 PolarHBondContact O-N 3.48Å; D301-N305 CarbonylContact O-C 3.42Å; D301-N305 VanDerWaalsContact O-CA 3.25Å; D301-N305 WeakPolarHBondContact O-CA 3.44Å; D301-N305 VanDerWaalsContact O-CB 3.25Å; D301-N305 WeakPolarHBondContact O-CB 3.43Å; D301-N305 PolarHBondContact O-N 3.31Å; D301-N305 PolarHBondContact OD1-ND2 2.95Å; D301-G306 PolarHBondContact O-N 3.29Å; D301-H307 CarbonylContact C-O 3.55Å; D301-H307 VanDerWaalsContact CB-O 3.23Å; D301-H307 WeakPolarHBondContact CB-O 3.38Å; D301-P309 HydrophobicContact CB-CG 4.02Å; D301-Y405 WeakPolarHBondContact OD2-CE1 3.49Å; D301-Y405 PolarHBondContact OD2-OH 2.81Å
302	P	98.9	Very high	98.9	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-59.2	-46.7	170.5	-29.5	36.2	0	0	0	113.4	L244 G297 W298 Y299 I304 G306 H307 Y308 F323 V331	L244-P302 HydrophobicContact CD1-CB 3.94Å; L244-P302 HydrophobicContact CD1-CG 3.89Å; L244-P302 HydrophobicContact CD2-CB 4.09Å; G297-P302 WeakPolarHBondContact O-CD 3.27Å; W298-P302 WeakPolarHBondContact O-CG 3.42Å; Y299-P302 WeakPolarHBondContact O-CD 3.18Å; P302-I304 PolarHBondContact O-N 2.91Å; P302-G306 VanDerWaalsContact O-CA 3.29Å; P302-G306 WeakPolarHBondContact O-CA 3.38Å; P302-G306 PolarHBondContact O-N 3.4Å; P302-G306 VanDerWaalsContact O-N 3.11Å; P302-H307 VanDerWaalsContact CD-O 3.27Å; P302-H307 WeakPolarHBondContact CD-O 3.38Å; P302-Y308 HydrophobicContact CG-CD1 3.43Å; P302-Y308 VanDerWaalsContact CG-CD1 3.43Å; P302-Y308 HydrophobicContact CG-CE1 3.64Å; P302-Y308 HydrophobicContact CG-CG 4.23Å; P302-F323 HydrophobicContact CB-CE2 4.07Å; P302-F323 HydrophobicContact CB-CZ 4.33Å; P302-F323 HydrophobicContact CG-CE2 4.18Å; P302-V331 HydrophobicContact CB-CG1 3.92Å
303	L	98.9	Very high	98.9	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-68.2	-31.8	-176.2	-69.3	165.9	0	0	0	113.5	L244 H247 I268 L270 Y299 L300 D301 V331 G333 S334 A335	L244-L303 HydrophobicContact CD2-CD2 4.19Å; L244-L303 HydrophobicContact CD2-CG 4.04Å; H247-L303 VanDerWaalsContact CD2-CD2 3.46Å; H247-L303 WeakPolarHBondContact CD2-CD2 3.38Å; I268-L303 HydrophobicContact CG2-CD1 3.65Å; L270-L303 HydrophobicContact CD1-CD1 4.11Å; Y299-L303 WeakPolarHBondContact O-CB 3.24Å; Y299-L303 VanDerWaalsContact O-CD1 3.31Å; Y299-L303 WeakPolarHBondContact O-CD1 3.26Å; Y299-L303 WeakPolarHBondContact O-CG 3.43Å; Y299-L303 PolarHBondContact O-N 3.43Å; Y299-L303 VanDerWaalsContact O-N 3.12Å; L300-L303 PolarHBondContact O-N 3.08Å; D301-L303 PolarHBondContact O-N 3.48Å; L303-V331 HydrophobicContact CD2-CG1 4.31Å; L303-G333 PolarHBondContact O-N 2.91Å; L303-S334 WeakPolarHBondContact CD2-OG 3.36Å; L303-A335 HydrophobicContact CD2-CB 4.48Å
304	I	98.8	Very high	98.9	Very high	42 Å²	42	24.9 Å²	24.9	22%	0.215	13%	0.126	C	C	.	.	H	α-helix	trans	-103.1	-42.6	-175.8	-56.3	-62	0	0	0	111.6	L300 P302 K332 Y405 P408	L300-I304 HydrophobicContact CD2-CG1 4.27Å; L300-I304 WeakPolarHBondContact O-CB 3.37Å; L300-I304 WeakPolarHBondContact O-CG1 3.42Å; L300-I304 PolarHBondContact O-N 3.5Å; P302-I304 PolarHBondContact O-N 2.91Å; I304-K332 VanDerWaalsContact O-CE 3.25Å; I304-K332 WeakPolarHBondContact O-CE 3.41Å; I304-K332 WeakPolarHBondContact O-CG 3.39Å; I304-Y405 HydrophobicContact CB-CD1 4.12Å; I304-Y405 HydrophobicContact CG1-CD1 4.17Å; I304-Y405 HydrophobicContact CG2-CD1 4.27Å; I304-P408 HydrophobicContact CD1-CB 4.34Å
305	N	98.8	Very high	98.8	Very high	57 Å²	57	26.6 Å²	26.6	31%	0.305	14%	0.135	S	C	.	.	H	α-helix	trans	-105.6	-22.2	-170.5	-58.7	-33.7	0	0	0	113.2	D301 K332	D301-N305 CarbonylContact O-C 3.42Å; D301-N305 VanDerWaalsContact O-CA 3.25Å; D301-N305 WeakPolarHBondContact O-CA 3.44Å; D301-N305 VanDerWaalsContact O-CB 3.25Å; D301-N305 WeakPolarHBondContact O-CB 3.43Å; D301-N305 PolarHBondContact O-N 3.31Å; D301-N305 PolarHBondContact OD1-ND2 2.95Å; N305-K332 PolarHBondContact O-NZ 3.45Å
306	G	98.7	Very high	98.8	Very high	13 Å²	13	26.6 Å²	26.6	13%	0.134	14%	0.135	C	C	.	.	S	Bend	trans	87.5	15.9	178.5	0	0	0	0	0	114.5	D301 P302 A328	D301-G306 PolarHBondContact O-N 3.29Å; P302-G306 VanDerWaalsContact O-CA 3.29Å; P302-G306 WeakPolarHBondContact O-CA 3.38Å; P302-G306 PolarHBondContact O-N 3.4Å; P302-G306 VanDerWaalsContact O-N 3.11Å; G306-A328 VanDerWaalsContact O-CB 3.3Å; G306-A328 WeakPolarHBondContact O-CB 3.12Å
307	H	98.9	Very high	98.8	Very high	85 Å²	85	31.4 Å²	31.4	39%	0.394	16%	0.156	S	C	.	.	S	Bend	trans	-148.5	158.8	176.5	60.1	78.2	0	0	0	110.5	D301 P302	D301-H307 CarbonylContact C-O 3.55Å; D301-H307 VanDerWaalsContact CB-O 3.23Å; D301-H307 WeakPolarHBondContact CB-O 3.38Å; P302-H307 VanDerWaalsContact CD-O 3.27Å; P302-H307 WeakPolarHBondContact CD-O 3.38Å
308	Y	98.9	Very high	98.8	Very high	8 Å²	8	38.2 Å²	38.2	3%	0.031	19%	0.192	C	C	.	.			trans	-67.9	157.4	169.8	-72.1	-60	0	0	0	111.7	H241 L244 W298 P302 Q310 Q313 L320 P321 F323	H241-Y308 WeakPolarHBondContact CA-OH 3.28Å; H241-Y308 WeakPolarHBondContact CB-OH 3.33Å; H241-Y308 AromaticContact ND1-CE2 3.71Å; H241-Y308 AromaticContact ND1-CZ 3.71Å; H241-Y308 PolarHBondContact ND1-OH 3.47Å; L244-Y308 HydrophobicContact CD1-CE1 3.67Å; W298-Y308 AromaticContact CD1-CD1 3.76Å; W298-Y308 AromaticContact CD1-CE1 3.62Å; W298-Y308 AromaticContact NE1-CE1 3.87Å; W298-Y308 WeakPolarHBondContact O-CD1 3.29Å; W298-Y308 WeakPolarHBondContact O-CE1 3.26Å; P302-Y308 HydrophobicContact CG-CD1 3.43Å; P302-Y308 VanDerWaalsContact CG-CD1 3.43Å; P302-Y308 HydrophobicContact CG-CE1 3.64Å; P302-Y308 HydrophobicContact CG-CG 4.23Å; Y308-Q310 PolarHBondContact O-N 3.28Å; Y308-Q313 PolarHBondContact O-NE2 3.44Å; Y308-L320 HydrophobicContact CD1-CD1 4.47Å; Y308-L320 HydrophobicContact CD2-CD1 3.83Å; Y308-L320 HydrophobicContact CD2-CD2 3.69Å; Y308-L320 HydrophobicContact CD2-CG 3.66Å; Y308-L320 HydrophobicContact CE1-CD1 4.49Å; Y308-L320 HydrophobicContact CE2-CD1 3.85Å; Y308-L320 HydrophobicContact CE2-CD2 4.49Å; Y308-L320 HydrophobicContact CE2-CG 3.99Å; Y308-L320 HydrophobicContact CG-CD1 4.15Å; Y308-L320 HydrophobicContact CG-CD2 3.86Å; Y308-L320 HydrophobicContact CG-CG 4.22Å; Y308-P321 VanDerWaalsContact CE2-O 3.3Å; Y308-P321 WeakPolarHBondContact CE2-O 3.38Å; Y308-F323 HydrophobicContact CD1-CE2 4.46Å; Y308-F323 HydrophobicContact CD2-CD2 4.33Å; Y308-F323 AromaticContact CD2-CE2 3.94Å; Y308-F323 HydrophobicContact CD2-CE2 3.94Å; Y308-F323 HydrophobicContact CE1-CE2 4.05Å; Y308-F323 HydrophobicContact CE1-CZ 4.38Å; Y308-F323 HydrophobicContact CE2-CD2 4.06Å; Y308-F323 AromaticContact CE2-CE2 3.46Å; Y308-F323 HydrophobicContact CE2-CE2 3.46Å; Y308-F323 VanDerWaalsContact CE2-CE2 3.46Å; Y308-F323 HydrophobicContact CE2-CZ 4.05Å; Y308-F323 HydrophobicContact CG-CE2 4.41Å; Y308-F323 AromaticContact CZ-CE2 3.53Å; Y308-F323 AromaticContact CZ-CZ 3.76Å
309	P	98.9	Very high	98.8	Very high	4 Å²	4	40.2 Å²	40.2	3%	0.026	20%	0.2	C	C	.	.			trans	-54.3	138.7	174.7	-23.6	32.9	0	0	0	111.5	D293 G297 D301 I311 M312 Q313	D293-P309 HydrophobicContact CB-CB 3.94Å; D293-P309 HydrophobicContact CB-CG 4.29Å; G297-P309 WeakPolarHBondContact O-CD 3.49Å; G297-P309 VanDerWaalsContact O-CG 3.29Å; G297-P309 WeakPolarHBondContact O-CG 3.47Å; D301-P309 HydrophobicContact CB-CG 4.02Å; P309-I311 VanDerWaalsContact C-N 3.27Å; P309-I311 HydrophobicContact CB-CG2 4.42Å; P309-I311 PolarHBondContact O-N 2.91Å; P309-M312 HydrophobicContact CB-CB 4.5Å; P309-M312 HydrophobicContact CB-CG 4.13Å; P309-M312 HydrophobicContact CB-SD 4.49Å; P309-M312 HydrophobicContact CG-CG 4.24Å; P309-M312 HydrophobicContact CG-SD 3.94Å; P309-M312 WeakPolarHBondContact O-CB 3.19Å; P309-M312 PolarHBondContact O-N 3.28Å; P309-Q313 PolarHBondContact O-N 3.21Å
310	Q	98.9	Very high	98.8	Very high	110 Å²	110	40.4 Å²	40.4	51%	0.514	20%	0.201	S	C	.	.	H	α-helix	trans	-55.6	-43.8	-176	-171.9	59.5	50.4	0	0	111.9	Y308 M312 Q313 D314	Y308-Q310 PolarHBondContact O-N 3.28Å; Q310-M312 PolarHBondContact O-N 2.93Å; Q310-Q313 WeakPolarHBondContact O-CA 3.37Å; Q310-Q313 WeakPolarHBondContact O-CB 3.38Å; Q310-Q313 PolarHBondContact O-N 2.71Å; Q310-D314 PolarHBondContact NE2-OD1 3.02Å; Q310-D314 PolarHBondContact O-N 3.2Å
311	I	98.8	Very high	98.8	Very high	34 Å²	34	42.1 Å²	42.1	17%	0.174	21%	0.212	C	C	.	.	H	α-helix	trans	-62.5	-30.6	179.5	-167.8	63	0	0	0	113.4	R290 D293 F294 P309 L315 L353	R290-I311 HydrophobicContact CG-CG1 3.95Å; D293-I311 HydrophobicContact CB-CG2 3.76Å; F294-I311 HydrophobicContact CD2-CG2 4.5Å; F294-I311 HydrophobicContact CE2-CG2 4.29Å; P309-I311 VanDerWaalsContact C-N 3.27Å; P309-I311 HydrophobicContact CB-CG2 4.42Å; P309-I311 PolarHBondContact O-N 2.91Å; I311-L315 HydrophobicContact CD1-CD1 4.03Å; I311-L315 HydrophobicContact CD1-CG 4.04Å; I311-L315 HydrophobicContact CG1-CD1 3.94Å; I311-L315 HydrophobicContact CG1-CG 4.27Å; I311-L315 WeakPolarHBondContact O-CB 3.49Å; I311-L315 WeakPolarHBondContact O-CG 3.27Å; I311-L315 PolarHBondContact O-N 2.89Å; I311-L353 HydrophobicContact CD1-CD1 4.39Å
312	M	98.9	Very high	98.8	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-70.4	-41.6	173.5	-65.8	-170.5	71	0	0	110.4	Y237 F294 W298 P309 Q310 D314 V316 L320	Y237-M312 HydrophobicContact CE1-CE 3.93Å; F294-M312 HydrophobicContact CD1-CE 3.7Å; F294-M312 HydrophobicContact CD1-CG 4.01Å; F294-M312 HydrophobicContact CD1-SD 4.25Å; F294-M312 HydrophobicContact CD2-CG 3.87Å; F294-M312 HydrophobicContact CE1-CE 3.93Å; F294-M312 HydrophobicContact CE1-CG 3.97Å; F294-M312 HydrophobicContact CE2-CG 3.81Å; F294-M312 HydrophobicContact CG-CE 4.35Å; F294-M312 HydrophobicContact CG-CG 3.98Å; F294-M312 HydrophobicContact CG-SD 4.32Å; F294-M312 HydrophobicContact CZ-CB 4.37Å; F294-M312 HydrophobicContact CZ-CG 3.87Å; W298-M312 HydrophobicContact CB-CE 4.1Å; W298-M312 HydrophobicContact CB-SD 3.7Å; W298-M312 HydrophobicContact CD2-CE 3.93Å; W298-M312 HydrophobicContact CG-CE 3.56Å; W298-M312 HydrophobicContact CG-SD 3.79Å; P309-M312 HydrophobicContact CB-CB 4.5Å; P309-M312 HydrophobicContact CB-CG 4.13Å; P309-M312 HydrophobicContact CB-SD 4.49Å; P309-M312 HydrophobicContact CG-CG 4.24Å; P309-M312 HydrophobicContact CG-SD 3.94Å; P309-M312 WeakPolarHBondContact O-CB 3.19Å; P309-M312 PolarHBondContact O-N 3.28Å; Q310-M312 PolarHBondContact O-N 2.93Å; M312-D314 VanDerWaalsContact C-N 3.3Å; M312-D314 PolarHBondContact O-N 2.75Å; M312-V316 WeakPolarHBondContact O-CA 3.42Å; M312-V316 WeakPolarHBondContact O-CB 3.48Å; M312-V316 VanDerWaalsContact O-CG2 3.28Å; M312-V316 WeakPolarHBondContact O-CG2 3.29Å; M312-V316 PolarHBondContact O-N 2.91Å; M312-L320 HydrophobicContact CB-CD2 4.07Å
313	Q	98.8	Very high	98.8	Very high	75 Å²	75	50.9 Å²	50.9	35%	0.35	25%	0.25	S	C	.	.	H	α-helix	trans	-60.2	-42.6	174.9	-60.3	-179.2	55.8	0	0	111	Y308 P309 Q310 K317 L320	Y308-Q313 PolarHBondContact O-NE2 3.44Å; P309-Q313 PolarHBondContact O-N 3.21Å; Q310-Q313 WeakPolarHBondContact O-CA 3.37Å; Q310-Q313 WeakPolarHBondContact O-CB 3.38Å; Q310-Q313 PolarHBondContact O-N 2.71Å; Q313-K317 WeakPolarHBondContact O-CA 3.41Å; Q313-K317 PolarHBondContact O-N 3.49Å; Q313-K317 VanDerWaalsContact O-N 3.09Å; Q313-L320 HydrophobicContact CG-CD2 4.06Å
314	D	98.6	Very high	98.8	Very high	79 Å²	79	53.6 Å²	53.6	42%	0.422	27%	0.267	S	S	.	.	H	α-helix	trans	-69.2	-40.9	-176.8	-59.2	-22	0	0	0	112.8	Q310 M312 K317	Q310-D314 PolarHBondContact NE2-OD1 3.02Å; Q310-D314 PolarHBondContact O-N 3.2Å; M312-D314 VanDerWaalsContact C-N 3.3Å; M312-D314 PolarHBondContact O-N 2.75Å; D314-K317 WeakPolarHBondContact O-CE 3.29Å; D314-K317 WeakPolarHBondContact O-CG 3.47Å
315	L	98.6	Very high	98.8	Very high	36 Å²	36	56.4 Å²	56.4	19%	0.188	29%	0.287	C	S	.	.	H	α-helix	trans	-87.4	-42.8	-176.8	-64	-177.6	0	0	0	113.1	F294 I311 L353 D364	F294-L315 HydrophobicContact CE2-CD1 4.07Å; F294-L315 HydrophobicContact CZ-CB 4.31Å; F294-L315 HydrophobicContact CZ-CD1 4.19Å; I311-L315 HydrophobicContact CD1-CD1 4.03Å; I311-L315 HydrophobicContact CD1-CG 4.04Å; I311-L315 HydrophobicContact CG1-CD1 3.94Å; I311-L315 HydrophobicContact CG1-CG 4.27Å; I311-L315 WeakPolarHBondContact O-CB 3.49Å; I311-L315 WeakPolarHBondContact O-CG 3.27Å; I311-L315 PolarHBondContact O-N 2.89Å; L315-L353 HydrophobicContact CD1-CD2 4.27Å; L315-L353 HydrophobicContact CD2-CD1 4.43Å; L315-L353 HydrophobicContact CD2-CD2 4.38Å; L315-D364 WeakPolarHBondContact CD1-O 2.93Å
316	V	98.8	Very high	98.8	Very high	2 Å²	2	60 Å²	60	1%	0.012	30%	0.302	C	S	.	.	H	α-helix	trans	-83.1	-31	-174.3	-174	0	0	0	0	111.5	Y237 F294 M312 D318 R319 L320 D364	Y237-V316 HydrophobicContact CD1-CG1 4.17Å; Y237-V316 HydrophobicContact CD2-CG1 3.92Å; Y237-V316 HydrophobicContact CE1-CG1 3.84Å; Y237-V316 HydrophobicContact CE1-CG2 3.94Å; Y237-V316 HydrophobicContact CE2-CG1 3.57Å; Y237-V316 HydrophobicContact CG-CG1 4.2Å; Y237-V316 WeakPolarHBondContact OH-CG2 3.41Å; F294-V316 HydrophobicContact CE1-CG2 3.75Å; F294-V316 HydrophobicContact CZ-CG2 3.94Å; M312-V316 WeakPolarHBondContact O-CA 3.42Å; M312-V316 WeakPolarHBondContact O-CB 3.48Å; M312-V316 VanDerWaalsContact O-CG2 3.28Å; M312-V316 WeakPolarHBondContact O-CG2 3.29Å; M312-V316 PolarHBondContact O-N 2.91Å; V316-D318 PolarHBondContact O-N 2.69Å; V316-R319 HydrophobicContact CG1-CB 3.8Å; V316-R319 PolarHBondContact O-N 3.27Å; V316-R319 PolarHBondContact O-NE 2.81Å; V316-L320 HydrophobicContact CB-CB 4.07Å; V316-L320 HydrophobicContact CG1-CB 3.78Å; V316-D364 HydrophobicContact CG2-CB 4.33Å
317	K	98.4	Very high	98.8	Very high	101 Å²	101	62.1 Å²	62.1	44%	0.439	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	56.3	-132.3	175	-53.7	177.6	-173.8	179.4	0	111.2	Q313 D314 R319 L320	Q313-K317 WeakPolarHBondContact O-CA 3.41Å; Q313-K317 PolarHBondContact O-N 3.49Å; Q313-K317 VanDerWaalsContact O-N 3.09Å; D314-K317 WeakPolarHBondContact O-CE 3.29Å; D314-K317 WeakPolarHBondContact O-CG 3.47Å; K317-R319 PolarHBondContact O-N 2.74Å; K317-R319 VanDerWaalsContact O-N 3.08Å; K317-L320 WeakPolarHBondContact O-CB 3.25Å; K317-L320 PolarHBondContact O-N 2.78Å
318	D	98.5	Very high	98.8	Very high	142 Å²	142	59.1 Å²	59.1	76%	0.759	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-67.6	-10.2	-173.3	-60.5	-39.7	0	0	0	114.6	V316 L320	V316-D318 PolarHBondContact O-N 2.69Å; D318-L320 VanDerWaalsContact C-N 3.28Å
319	R	98.8	Very high	98.8	Very high	43 Å²	43	68.9 Å²	68.9	16%	0.162	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-76	-18.5	171.8	-61.4	176.3	-63.8	124.3	-7.8	112.5	A233 T234 Y237 V316 K317 P321 D364	A233-R319 WeakPolarHBondContact O-CD 3.41Å; A233-R319 PolarHBondContact O-NH1 2.83Å; T234-R319 HydrophobicContact CG2-CB 4.45Å; T234-R319 HydrophobicContact CG2-CG 4.07Å; Y237-R319 WeakPolarHBondContact CB-O 3.41Å; Y237-R319 HydrophobicContact CD2-CB 4.49Å; V316-R319 HydrophobicContact CG1-CB 3.8Å; V316-R319 PolarHBondContact O-N 3.27Å; V316-R319 PolarHBondContact O-NE 2.81Å; K317-R319 PolarHBondContact O-N 2.74Å; K317-R319 VanDerWaalsContact O-N 3.08Å; R319-P321 WeakPolarHBondContact O-CD 3.19Å; R319-D364 IonicContact CZ-OD1 3.28Å; R319-D364 IonicContact CZ-OD2 3.79Å; R319-D364 IonicContact NH1-OD1 3.47Å; R319-D364 IonicContact NH1-OD2 2.87Å; R319-D364 PolarHBondContact NH1-OD2 3.25Å; R319-D364 VanDerWaalsContact NH2-CG 3.25Å; R319-D364 IonicContact NH2-OD1 3.63Å; R319-D364 PolarHBondContact NH2-OD1 3.43Å; R319-D364 IonicContact NH2-OD2 2.72Å; R319-D364 PolarHBondContact NH2-OD2 2.9Å; R319-D364 VanDerWaalsContact NH2-OD2 3.16Å
320	L	98.9	Very high	98.7	Very high	7 Å²	7	72.6 Å²	72.6	4%	0.037	35%	0.354	C	S	.	.	S	Bend	trans	-88.3	115.7	174.9	-172.5	64.6	0	0	0	108.8	Y237 Y308 M312 Q313 V316 K317 D318	Y237-L320 HydrophobicContact CD1-CD1 3.77Å; Y237-L320 HydrophobicContact CE1-CD1 4.46Å; Y237-L320 HydrophobicContact CG-CD1 4.41Å; Y308-L320 HydrophobicContact CD1-CD1 4.47Å; Y308-L320 HydrophobicContact CD2-CD1 3.83Å; Y308-L320 HydrophobicContact CD2-CD2 3.69Å; Y308-L320 HydrophobicContact CD2-CG 3.66Å; Y308-L320 HydrophobicContact CE1-CD1 4.49Å; Y308-L320 HydrophobicContact CE2-CD1 3.85Å; Y308-L320 HydrophobicContact CE2-CD2 4.49Å; Y308-L320 HydrophobicContact CE2-CG 3.99Å; Y308-L320 HydrophobicContact CG-CD1 4.15Å; Y308-L320 HydrophobicContact CG-CD2 3.86Å; Y308-L320 HydrophobicContact CG-CG 4.22Å; M312-L320 HydrophobicContact CB-CD2 4.07Å; Q313-L320 HydrophobicContact CG-CD2 4.06Å; V316-L320 HydrophobicContact CB-CB 4.07Å; V316-L320 HydrophobicContact CG1-CB 3.78Å; K317-L320 WeakPolarHBondContact O-CB 3.25Å; K317-L320 PolarHBondContact O-N 2.78Å; D318-L320 VanDerWaalsContact C-N 3.28Å
321	P	98.8	Very high	98.7	Very high	36 Å²	36	67.3 Å²	67.3	23%	0.234	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-58.8	148.5	178.7	-24.1	34.3	0	0	0	111.9	H241 Y308 R319	H241-P321 HydrophobicContact CB-CB 4.09Å; H241-P321 HydrophobicContact CB-CG 3.91Å; Y308-P321 VanDerWaalsContact CE2-O 3.3Å; Y308-P321 WeakPolarHBondContact CE2-O 3.38Å; R319-P321 WeakPolarHBondContact O-CD 3.19Å
322	K	98.8	Very high	98.8	Very high	163 Å²	163	71.1 Å²	71.1	71%	0.709	35%	0.345	S	S	*	.	P	Polyproline II helix	trans	-101.1	127	179.1	-66.2	175.8	-176.8	169.6	0	109.4
323	F	98.8	Very high	98.7	Very high	32 Å²	32	73 Å²	73	14%	0.14	36%	0.364	C	S	.	.	P	Polyproline II helix	trans	-66.4	136.7	167.4	-66.8	-69.5	0	0	0	109.6	H241 L244 L245 P302 Y308 Q327 A328 V331	H241-F323 AromaticContact CE1-CD1 3.26Å; H241-F323 WeakPolarHBondContact CE1-CD1 3.27Å; H241-F323 AromaticContact CE1-CE1 3.2Å; H241-F323 WeakPolarHBondContact CE1-CE1 3.47Å; H241-F323 AromaticContact CE1-CG 3.73Å; H241-F323 AromaticContact CE1-CZ 3.63Å; H241-F323 AromaticContact ND1-CE1 3.51Å; H241-F323 AromaticContact ND1-CZ 3.53Å; H241-F323 AromaticContact NE2-CD1 3.87Å; H241-F323 AromaticContact NE2-CE1 3.89Å; L244-F323 HydrophobicContact CB-CE1 4.39Å; L244-F323 HydrophobicContact CB-CZ 4.09Å; L244-F323 HydrophobicContact CD1-CZ 3.88Å; L245-F323 HydrophobicContact CD2-CD1 3.91Å; L245-F323 HydrophobicContact CD2-CE1 3.78Å; L245-F323 HydrophobicContact CG-CE1 4.28Å; P302-F323 HydrophobicContact CB-CE2 4.07Å; P302-F323 HydrophobicContact CB-CZ 4.33Å; P302-F323 HydrophobicContact CG-CE2 4.18Å; Y308-F323 HydrophobicContact CD1-CE2 4.46Å; Y308-F323 HydrophobicContact CD2-CD2 4.33Å; Y308-F323 AromaticContact CD2-CE2 3.94Å; Y308-F323 HydrophobicContact CD2-CE2 3.94Å; Y308-F323 HydrophobicContact CE1-CE2 4.05Å; Y308-F323 HydrophobicContact CE1-CZ 4.38Å; Y308-F323 HydrophobicContact CE2-CD2 4.06Å; Y308-F323 AromaticContact CE2-CE2 3.46Å; Y308-F323 HydrophobicContact CE2-CE2 3.46Å; Y308-F323 VanDerWaalsContact CE2-CE2 3.46Å; Y308-F323 HydrophobicContact CE2-CZ 4.05Å; Y308-F323 HydrophobicContact CG-CE2 4.41Å; Y308-F323 AromaticContact CZ-CE2 3.53Å; Y308-F323 AromaticContact CZ-CZ 3.76Å; F323-Q327 HydrophobicContact CB-CB 4.2Å; F323-Q327 HydrophobicContact CD1-CB 3.97Å; F323-A328 HydrophobicContact CB-CB 3.98Å; F323-V331 HydrophobicContact CD1-CG2 4.42Å; F323-V331 HydrophobicContact CE1-CG2 4Å
324	T	98.8	Very high	98.7	Very high	57 Å²	57	69.4 Å²	69.4	35%	0.35	35%	0.348	S	S	.	.	P	Polyproline II helix	trans	-66.1	160.3	161.1	81.2	0	0	0	0	109.7	E326 Q327 A328	T324-E326 VanDerWaalsContact CB-OE2 3.3Å; T324-E326 WeakPolarHBondContact CB-OE2 3.21Å; T324-E326 PolarHBondContact O-N 2.74Å; T324-E326 PolarHBondContact OG1-N 3.01Å; T324-E326 PolarHBondContact OG1-OE2 3.22Å; T324-Q327 PolarHBondContact O-N 2.61Å; T324-Q327 VanDerWaalsContact O-N 3.14Å; T324-Q327 WeakPolarHBondContact OG1-CG 3.48Å; T324-Q327 PolarHBondContact OG1-N 3.28Å; T324-A328 WeakPolarHBondContact O-CB 3.44Å; T324-A328 PolarHBondContact O-N 3.41Å
325	P	98.7	Very high	98.8	Very high	101 Å²	101	66.5 Å²	66.5	66%	0.656	34%	0.335	S	S	*	.	H	α-helix	trans	-53.4	-36.3	175.2	-27.6	36.6	0	0	0	113.5	R329	P325-R329 WeakPolarHBondContact O-CB 3.3Å; P325-R329 PolarHBondContact O-N 3.43Å
326	E	98.7	Very high	98.8	Very high	131 Å²	131	66.8 Å²	66.8	61%	0.612	34%	0.336	S	S	*	.	H	α-helix	trans	-69.6	-45.1	178.3	-57.3	68	-142.7	0	0	111.1	T324 R329 L330	T324-E326 VanDerWaalsContact CB-OE2 3.3Å; T324-E326 WeakPolarHBondContact CB-OE2 3.21Å; T324-E326 PolarHBondContact O-N 2.74Å; T324-E326 PolarHBondContact OG1-N 3.01Å; T324-E326 PolarHBondContact OG1-OE2 3.22Å; E326-R329 PolarHBondContact O-N 3.19Å; E326-L330 WeakPolarHBondContact O-CB 3.35Å; E326-L330 PolarHBondContact O-N 3.08Å
327	Q	98.8	Very high	98.8	Very high	59 Å²	59	67.2 Å²	67.2	28%	0.276	34%	0.338	S	S	.	.	H	α-helix	trans	-64.2	-45.2	176.6	-69.1	172.2	-21	0	0	111.4	L245 F323 T324 R329 L330 V331	L245-Q327 HydrophobicContact CD2-CB 3.9Å; L245-Q327 HydrophobicContact CD2-CG 3.87Å; F323-Q327 HydrophobicContact CB-CB 4.2Å; F323-Q327 HydrophobicContact CD1-CB 3.97Å; T324-Q327 PolarHBondContact O-N 2.61Å; T324-Q327 VanDerWaalsContact O-N 3.14Å; T324-Q327 WeakPolarHBondContact OG1-CG 3.48Å; T324-Q327 PolarHBondContact OG1-N 3.28Å; Q327-R329 VanDerWaalsContact C-N 3.28Å; Q327-R329 PolarHBondContact O-N 3.12Å; Q327-L330 WeakPolarHBondContact O-CB 3.48Å; Q327-L330 PolarHBondContact O-N 2.97Å; Q327-L330 VanDerWaalsContact O-N 3.08Å; Q327-V331 VanDerWaalsContact O-CG2 3.29Å; Q327-V331 WeakPolarHBondContact O-CG2 3.14Å; Q327-V331 PolarHBondContact O-N 2.78Å
328	A	98.8	Very high	98.8	Very high	21 Å²	21	62.5 Å²	62.5	17%	0.174	32%	0.317	C	S	.	.	H	α-helix	trans	-57	-43.4	176.3	0	0	0	0	0	111.3	G306 F323 T324 V331 K332	G306-A328 VanDerWaalsContact O-CB 3.3Å; G306-A328 WeakPolarHBondContact O-CB 3.12Å; F323-A328 HydrophobicContact CB-CB 3.98Å; T324-A328 WeakPolarHBondContact O-CB 3.44Å; T324-A328 PolarHBondContact O-N 3.41Å; A328-V331 PolarHBondContact O-N 3.23Å; A328-K332 VanDerWaalsContact O-CB 3.27Å; A328-K332 WeakPolarHBondContact O-CB 3.31Å; A328-K332 PolarHBondContact O-N 3.42Å
329	R	98.8	Very high	98.8	Very high	214 Å²	214	55.8 Å²	55.8	81%	0.808	28%	0.281	S	S	*	.	H	α-helix	trans	-67.1	-34.9	175.7	-176.7	171.2	-72.1	171.6	-1.2	112.8	P325 E326 Q327	P325-R329 WeakPolarHBondContact O-CB 3.3Å; P325-R329 PolarHBondContact O-N 3.43Å; E326-R329 PolarHBondContact O-N 3.19Å; Q327-R329 VanDerWaalsContact C-N 3.28Å; Q327-R329 PolarHBondContact O-N 3.12Å
330	L	98.7	Very high	98.8	Very high	81 Å²	81	53.8 Å²	53.8	42%	0.424	27%	0.274	S	S	.	.	H	α-helix	trans	-70.5	-38.8	177.1	-164.3	69.9	0	0	0	112	A248 A252 E326 Q327	A248-L330 HydrophobicContact CB-CB 4.42Å; A248-L330 HydrophobicContact CB-CD2 4.17Å; A248-L330 HydrophobicContact CB-CG 3.97Å; A252-L330 HydrophobicContact CB-CD1 3.81Å; E326-L330 WeakPolarHBondContact O-CB 3.35Å; E326-L330 PolarHBondContact O-N 3.08Å; Q327-L330 WeakPolarHBondContact O-CB 3.48Å; Q327-L330 PolarHBondContact O-N 2.97Å; Q327-L330 VanDerWaalsContact O-N 3.08Å
331	V	98.9	Very high	98.8	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-75.5	-40.3	179.8	177.4	0	0	0	0	111.2	L244 L245 A248 P302 L303 F323 Q327 A328 G333 S334	L244-V331 HydrophobicContact CD2-CG1 4.22Å; L245-V331 HydrophobicContact CD2-CG2 4.39Å; A248-V331 HydrophobicContact CB-CB 4.28Å; A248-V331 HydrophobicContact CB-CG2 3.67Å; P302-V331 HydrophobicContact CB-CG1 3.92Å; L303-V331 HydrophobicContact CD2-CG1 4.31Å; F323-V331 HydrophobicContact CD1-CG2 4.42Å; F323-V331 HydrophobicContact CE1-CG2 4Å; Q327-V331 VanDerWaalsContact O-CG2 3.29Å; Q327-V331 WeakPolarHBondContact O-CG2 3.14Å; Q327-V331 PolarHBondContact O-N 2.78Å; A328-V331 PolarHBondContact O-N 3.23Å; V331-G333 PolarHBondContact O-N 3.28Å; V331-S334 VanDerWaalsContact O-CB 3.26Å; V331-S334 WeakPolarHBondContact O-CB 3.38Å; V331-S334 PolarHBondContact O-N 2.84Å; V331-S334 PolarHBondContact O-OG 2.72Å
332	K	98.9	Very high	98.8	Very high	113 Å²	113	51.8 Å²	51.8	49%	0.491	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	124.6	178.7	-173.4	177	-177.4	163	0	111.2	I304 N305 A328 S334	I304-K332 VanDerWaalsContact O-CE 3.25Å; I304-K332 WeakPolarHBondContact O-CE 3.41Å; I304-K332 WeakPolarHBondContact O-CG 3.39Å; N305-K332 PolarHBondContact O-NZ 3.45Å; A328-K332 VanDerWaalsContact O-CB 3.27Å; A328-K332 WeakPolarHBondContact O-CB 3.31Å; A328-K332 PolarHBondContact O-N 3.42Å; K332-S334 VanDerWaalsContact C-N 3.27Å; K332-S334 PolarHBondContact O-N 3.4Å
333	G	98.7	Very high	98.8	Very high	39 Å²	39	44.6 Å²	44.6	40%	0.402	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.2	17.7	-178.2	0	0	0	0	0	114	R255 L303 V331 A335	R255-G333 VanDerWaalsContact CZ-O 3.3Å; R255-G333 PolarHBondContact NH1-O 2.92Å; R255-G333 PolarHBondContact NH2-O 3.21Å; L303-G333 PolarHBondContact O-N 2.91Å; V331-G333 PolarHBondContact O-N 3.28Å; G333-A335 VanDerWaalsContact C-N 3.3Å; G333-A335 PolarHBondContact O-N 3.24Å
334	S	98.9	Very high	98.8	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.007	23%	0.225	C	C	.	.			trans	-78.8	-6.3	178.8	59.2	0	0	0	0	114.5	H247 V251 L303 V331 K332	H247-S334 PolarHBondContact CD2-OG 2.81Å; H247-S334 PolarHBondContact NE2-O 3.27Å; H247-S334 PolarHBondContact NE2-OG 3.42Å; V251-S334 VanDerWaalsContact CG1-O 3.27Å; V251-S334 WeakPolarHBondContact CG1-O 3.36Å; V251-S334 WeakPolarHBondContact CG2-O 3.5Å; L303-S334 WeakPolarHBondContact CD2-OG 3.36Å; V331-S334 VanDerWaalsContact O-CB 3.26Å; V331-S334 WeakPolarHBondContact O-CB 3.38Å; V331-S334 PolarHBondContact O-N 2.84Å; V331-S334 PolarHBondContact O-OG 2.72Å; K332-S334 VanDerWaalsContact C-N 3.27Å; K332-S334 PolarHBondContact O-N 3.4Å
335	A	98.9	Very high	98.8	Very high	18 Å²	18	40.6 Å²	40.6	15%	0.149	21%	0.208	C	C	.	.			trans	-109.1	120	173.3	0	0	0	0	0	111.1	I268 L303 G333 Y337 I338	I268-A335 HydrophobicContact CG2-CB 4.32Å; L303-A335 HydrophobicContact CD2-CB 4.48Å; G333-A335 VanDerWaalsContact C-N 3.3Å; G333-A335 PolarHBondContact O-N 3.24Å; A335-Y337 PolarHBondContact O-N 3.16Å; A335-I338 HydrophobicContact CB-CD1 3.66Å
336	D	98.9	Very high	98.9	Very high	42 Å²	42	36.3 Å²	36.3	23%	0.225	18%	0.18	C	C	.	.	S	Bend	trans	-71.6	-23.1	176.2	-61.5	-34.1	0	0	0	112.2	R255 K265 V266	R255-D336 IonicContact CZ-OD1 3.28Å; R255-D336 IonicContact NE-OD1 2.81Å; R255-D336 IonicContact NH2-OD1 3.31Å; R255-D336 PolarHBondContact NH2-OD1 3.16Å; K265-D336 WeakPolarHBondContact CA-OD2 3.39Å; K265-D336 HydrophobicContact CB-CB 3.92Å; K265-D336 HydrophobicContact CD-CB 4.36Å; K265-D336 HydrophobicContact CG-CB 4.17Å; V266-D336 PolarHBondContact N-OD2 3.09Å; V266-D336 PolarHBondContact O-N 2.87Å
337	Y	98.9	Very high	98.9	Very high	11 Å²	11	31.5 Å²	31.5	4%	0.043	16%	0.157	C	C	.	.	S	Bend	trans	-155.5	157	169.1	42.8	-109.2	0	0	0	110.1	H198 W199 F200 K265 G267 A335 T409	H198-Y337 VanDerWaalsContact CA-OH 3.26Å; H198-Y337 WeakPolarHBondContact CA-OH 3.44Å; W199-Y337 PolarHBondContact N-OH 3.12Å; W199-Y337 WeakPolarHBondContact O-CE2 3.47Å; W199-Y337 PolarHBondContact O-OH 2.92Å; F200-Y337 HydrophobicContact CD1-CD2 4.35Å; F200-Y337 AromaticContact CD1-CE2 3.87Å; F200-Y337 HydrophobicContact CD1-CE2 3.87Å; F200-Y337 AromaticContact CE1-CD2 3.63Å; F200-Y337 HydrophobicContact CE1-CD2 3.63Å; F200-Y337 AromaticContact CE1-CE2 3.38Å; F200-Y337 HydrophobicContact CE1-CE2 3.38Å; F200-Y337 HydrophobicContact CZ-CD2 4.19Å; F200-Y337 AromaticContact CZ-CE2 3.76Å; F200-Y337 HydrophobicContact CZ-CE2 3.76Å; K265-Y337 HydrophobicContact CB-CD1 4.15Å; K265-Y337 HydrophobicContact CB-CE1 3.35Å; K265-Y337 HydrophobicContact CD-CD1 3.99Å; K265-Y337 HydrophobicContact CD-CE1 3.82Å; K265-Y337 HydrophobicContact CG-CE1 4.23Å; K265-Y337 PolarHBondContact O-OH 2.69Å; G267-Y337 VanDerWaalsContact CA-O 3.24Å; G267-Y337 WeakPolarHBondContact CA-O 3.24Å; A335-Y337 PolarHBondContact O-N 3.16Å; Y337-T409 CarbonylContact C-O 3.55Å; Y337-T409 VanDerWaalsContact CA-O 3.29Å; Y337-T409 WeakPolarHBondContact CA-O 3.38Å; Y337-T409 WeakPolarHBondContact CB-O 3.39Å
338	I	99	Very high	98.9	Very high	2 Å²	2	28.7 Å²	28.7	1%	0.01	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	115.3	179.2	-51.8	-56.7	0	0	0	109.1	L270 L300 A335 I340 P408 T409 V410 V411	L270-I338 HydrophobicContact CD1-CG2 4.22Å; L300-I338 HydrophobicContact CD2-CB 4.49Å; L300-I338 HydrophobicContact CD2-CD1 3.76Å; L300-I338 HydrophobicContact CD2-CG1 3.85Å; L300-I338 HydrophobicContact CD2-CG2 3.84Å; A335-I338 HydrophobicContact CB-CD1 3.66Å; I338-I340 HydrophobicContact CG2-CD1 3.61Å; I338-I340 HydrophobicContact CG2-CG1 4.02Å; I338-P408 HydrophobicContact CG1-CB 4.49Å; I338-T409 PolarHBondContact N-O 2.88Å; I338-V410 CarbonylContact O-C 3.45Å; I338-V410 WeakPolarHBondContact O-CA 3.33Å; I338-V411 PolarHBondContact O-N 2.98Å
339	G	99	Very high	98.9	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	127.4	166.3	0	0	0	0	0	109.9	I268 V269 L270 V411	I268-G339 WeakPolarHBondContact O-CA 3.42Å; I268-G339 PolarHBondContact O-N 3.04Å; V269-G339 WeakPolarHBondContact CA-O 3.41Å; L270-G339 PolarHBondContact N-O 3.47Å; G339-V411 CarbonylContact C-O 3.52Å; G339-V411 VanDerWaalsContact CA-O 3.31Å; G339-V411 WeakPolarHBondContact CA-O 3.2Å
340	I	99	Very high	98.8	Very high	2 Å²	2	22 Å²	22	1%	0.01	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	118.8	175.6	-61.9	-64.4	0	0	0	109.6	L270 F272 I296 I338 Q342 I401 V410 V411 I412 T413	L270-I340 HydrophobicContact CB-CD1 4.43Å; L270-I340 CarbonylContact O-C 3.59Å; L270-I340 WeakPolarHBondContact O-CA 3.32Å; F272-I340 HydrophobicContact CB-CD1 4.41Å; F272-I340 HydrophobicContact CB-CG2 3.95Å; I296-I340 HydrophobicContact CD1-CD1 4Å; I338-I340 HydrophobicContact CG2-CD1 3.61Å; I338-I340 HydrophobicContact CG2-CG1 4.02Å; I340-Q342 HydrophobicContact CG2-CB 4.15Å; I340-I401 HydrophobicContact CD1-CD1 3.6Å; I340-I401 HydrophobicContact CG1-CD1 3.71Å; I340-V410 HydrophobicContact CB-CG1 4.36Å; I340-V410 HydrophobicContact CG1-CG1 3.9Å; I340-V411 PolarHBondContact N-O 3.49Å; I340-I412 HydrophobicContact CB-CD1 4.23Å; I340-I412 HydrophobicContact CG2-CD1 4.45Å; I340-I412 CarbonylContact O-C 3.58Å; I340-I412 WeakPolarHBondContact O-CA 3.41Å; I340-T413 PolarHBondContact N-OG1 3.43Å; I340-T413 PolarHBondContact O-N 2.81Å; I340-T413 PolarHBondContact O-OG1 2.94Å
341	N	98.9	Very high	98.8	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	109.6	166.5	-69.9	2.7	0	0	0	108.1	N203 E204 V269 L270 D271 F272 Y343 T413 E414	N203-N341 PolarHBondContact OD1-ND2 3.44Å; E204-N341 HydrophobicContact CG-CB 4.34Å; E204-N341 VanDerWaalsContact CG-ND2 3.32Å; E204-N341 WeakPolarHBondContact CG-ND2 3.49Å; E204-N341 WeakPolarHBondContact OE1-CB 3.14Å; E204-N341 PolarHBondContact OE1-ND2 3.1Å; V269-N341 VanDerWaalsContact CG1-CG 3.43Å; V269-N341 WeakPolarHBondContact CG1-OD1 3.46Å; L270-N341 PolarHBondContact O-N 2.69Å; D271-N341 HydrophobicContact CB-CB 4.49Å; F272-N341 PolarHBondContact N-O 2.69Å; N341-Y343 HydrophobicContact CB-CE2 4.11Å; N341-T413 WeakPolarHBondContact OD1-CB 3.38Å; N341-T413 PolarHBondContact OD1-OG1 2.64Å; N341-E414 WeakPolarHBondContact CA-O 3.47Å; N341-E414 HydrophobicContact CB-CB 3.91Å; N341-E414 HydrophobicContact CB-CG 4.46Å; N341-E414 VanDerWaalsContact CG-CB 3.48Å; N341-E414 VanDerWaalsContact CG-CD 3.45Å; N341-E414 PolarHBondContact ND2-OE1 2.94Å; N341-E414 PolarHBondContact ND2-OE2 3.31Å; N341-E414 VanDerWaalsContact ND2-OE2 3.14Å; N341-E414 WeakPolarHBondContact OD1-CB 3.28Å; N341-E414 VanDerWaalsContact OD1-CG 3.27Å; N341-E414 WeakPolarHBondContact OD1-CG 3.24Å; N341-E414 PolarHBondContact OD1-N 3.21Å
342	Q	98.9	Very high	98.7	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.144	C	C	.	.			trans	-120.2	124.8	-174.6	-162	-65.9	-47.8	0	0	109.1	I340 T344 M394 C397 E414 N415	I340-Q342 HydrophobicContact CG2-CB 4.15Å; Q342-T344 PolarHBondContact NE2-O 2.84Å; Q342-T344 VanDerWaalsContact NE2-O 3.16Å; Q342-M394 HydrophobicContact CB-CE 3.83Å; Q342-M394 HydrophobicContact CB-SD 4.13Å; Q342-M394 HydrophobicContact CG-CE 4.09Å; Q342-M394 HydrophobicContact CG-SD 4.01Å; Q342-C397 HydrophobicContact CG-CB 4.13Å; Q342-E414 PolarHBondContact N-O 3.16Å; Q342-N415 WeakPolarHBondContact O-CA 3.35Å; Q342-N415 WeakPolarHBondContact O-CB 3.45Å; Q342-N415 PolarHBondContact O-ND2 3.32Å
343	Y	98.9	Very high	98.7	Very high	13 Å²	13	26.2 Å²	26.2	5%	0.051	14%	0.139	C	C	.	.			trans	-128.3	-49.6	-177.4	-71.1	-85.6	0	0	0	113.5	N273 N341 W386 L387 E414 G416 Y441 W461 F477	N273-Y343 PolarHBondContact OD1-N 2.66Å; N341-Y343 HydrophobicContact CB-CE2 4.11Å; Y343-W386 HydrophobicContact CD1-CH2 4.14Å; Y343-W386 HydrophobicContact CD1-CZ3 4.41Å; Y343-W386 HydrophobicContact CD2-CH2 4.49Å; Y343-W386 HydrophobicContact CG-CH2 4.08Å; Y343-W386 HydrophobicContact CG-CZ3 4.01Å; Y343-L387 HydrophobicContact CD1-CD1 4.26Å; Y343-E414 HydrophobicContact CE2-CB 4.08Å; Y343-E414 WeakPolarHBondContact OH-CB 3.47Å; Y343-E414 PolarHBondContact OH-OE2 3.43Å; Y343-G416 WeakPolarHBondContact CD1-O 3.31Å; Y343-Y441 VanDerWaalsContact O-CE1 3.29Å; Y343-Y441 WeakPolarHBondContact O-CE1 3.1Å; Y343-Y441 VanDerWaalsContact O-CZ 3.31Å; Y343-Y441 PolarHBondContact O-OH 3.16Å; Y343-W461 HydrophobicContact CE1-CB 4.34Å; Y343-W461 VanDerWaalsContact OH-CB 3.31Å; Y343-W461 WeakPolarHBondContact OH-CB 3.4Å; Y343-F477 HydrophobicContact CD1-CE1 4.47Å; Y343-F477 HydrophobicContact CE1-CE1 4Å
344	T	98.9	Very high	98.6	Very high	5 Å²	5	29.5 Å²	29.5	3%	0.031	14%	0.144	C	C	.	.			trans	-142.6	-178.8	-163.2	-177.7	0	0	0	0	111.6	N273 W274 Q342 W386 Y388	N273-T344 WeakPolarHBondContact CA-O 3.31Å; N273-T344 HydrophobicContact CB-CG2 3.94Å; N273-T344 WeakPolarHBondContact CB-O 3.2Å; N273-T344 WeakPolarHBondContact OD1-CG2 3.44Å; N273-T344 PolarHBondContact OD1-N 3.36Å; W274-T344 PolarHBondContact N-O 3.22Å; Q342-T344 PolarHBondContact NE2-O 2.84Å; Q342-T344 VanDerWaalsContact NE2-O 3.16Å; T344-W386 HydrophobicContact CG2-CE3 4.21Å; T344-W386 HydrophobicContact CG2-CZ3 4.45Å; T344-Y388 WeakPolarHBondContact CB-O 3.46Å; T344-Y388 WeakPolarHBondContact OG1-CB 3.47Å; T344-Y388 PolarHBondContact OG1-N 3.3Å; T344-Y388 PolarHBondContact OG1-O 3.36Å; T344-Y388 VanDerWaalsContact OG1-O 3.05Å
345	A	98.9	Very high	98.5	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	162	173.5	0	0	0	0	0	111.6	W274 I378 V390 W392	W274-A345 HydrophobicContact CB-CB 3.77Å; W274-A345 HydrophobicContact CG-CB 4.42Å; W274-A345 CarbonylContact O-C 3.24Å; W274-A345 WeakPolarHBondContact O-CA 3.49Å; A345-I378 HydrophobicContact CB-CD1 4.15Å; A345-V390 HydrophobicContact CB-CB 3.9Å; A345-V390 HydrophobicContact CB-CG1 3.7Å; A345-V390 HydrophobicContact CB-CG2 4.38Å; A345-W392 HydrophobicContact CB-CH2 4.28Å
346	S	98.8	Very high	98.4	Very high	10 Å²	10	40.1 Å²	40.1	7%	0.07	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	151.7	174.7	-61	0	0	0	0	111.1	W274 Y275 E276 F371	W274-S346 PolarHBondContact O-N 3.48Å; Y275-S346 WeakPolarHBondContact CA-O 3.48Å; E276-S346 PolarHBondContact N-O 3.17Å; S346-F371 WeakPolarHBondContact OG-CE1 3.39Å
347	Y	98.8	Very high	98.3	Very high	30 Å²	30	43.9 Å²	43.9	12%	0.118	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	141.6	166.2	-61.3	-66.2	0	0	0	110.1	E276 L278 V370 K373 I378 W392	E276-Y347 HydrophobicContact CB-CD1 3.7Å; E276-Y347 HydrophobicContact CB-CE1 3.94Å; E276-Y347 HydrophobicContact CG-CD1 3.83Å; E276-Y347 HydrophobicContact CG-CE1 3.71Å; E276-Y347 CarbonylContact O-C 3.42Å; E276-Y347 WeakPolarHBondContact O-CA 3.34Å; L278-Y347 HydrophobicContact CD1-CG 4.28Å; Y347-V370 WeakPolarHBondContact CA-O 3.28Å; Y347-V370 VanDerWaalsContact CB-O 3.28Å; Y347-V370 WeakPolarHBondContact CB-O 3.32Å; Y347-V370 PolarHBondContact N-O 3.16Å; Y347-V370 PolarHBondContact O-N 3.46Å; Y347-K373 HydrophobicContact CD1-CD 4.37Å; Y347-K373 HydrophobicContact CD2-CB 3.97Å; Y347-K373 HydrophobicContact CE1-CB 4.4Å; Y347-K373 HydrophobicContact CE1-CD 3.88Å; Y347-K373 HydrophobicContact CE2-CB 3.49Å; Y347-K373 VanDerWaalsContact CE2-CB 3.49Å; Y347-K373 HydrophobicContact CE2-CD 4.47Å; Y347-I378 HydrophobicContact CD1-CD1 4.36Å; Y347-I378 HydrophobicContact CD2-CB 4.14Å; Y347-I378 HydrophobicContact CD2-CD1 3.86Å; Y347-I378 HydrophobicContact CD2-CG1 4.16Å; Y347-I378 HydrophobicContact CE1-CD1 4.23Å; Y347-I378 HydrophobicContact CE2-CB 3.67Å; Y347-I378 HydrophobicContact CE2-CD1 3.74Å; Y347-I378 HydrophobicContact CE2-CG1 3.59Å; Y347-I378 HydrophobicContact CG-CD1 4.17Å; Y347-W392 HydrophobicContact CE1-CH2 4.28Å
348	M	98.8	Very high	98.3	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	124.6	173.4	-67.2	-59.8	114.9	0	0	109.8	Y275 E276 L278 A287 A288 A291 V367 Y369	Y275-M348 HydrophobicContact CD1-CE 3.39Å; Y275-M348 HydrophobicContact CD1-CG 3.84Å; Y275-M348 HydrophobicContact CD1-SD 3.96Å; Y275-M348 HydrophobicContact CE1-CE 3.67Å; Y275-M348 HydrophobicContact CE1-SD 4.35Å; Y275-M348 HydrophobicContact CG-CG 4.17Å; E276-M348 PolarHBondContact O-N 3.35Å; L278-M348 WeakPolarHBondContact CB-O 3.37Å; L278-M348 PolarHBondContact N-O 2.76Å; A287-M348 HydrophobicContact CB-CB 4.36Å; A288-M348 HydrophobicContact CB-CB 4.13Å; A291-M348 HydrophobicContact CB-CG 3.78Å; A291-M348 HydrophobicContact CB-SD 3.99Å; M348-V367 HydrophobicContact SD-CB 4.15Å; M348-V367 HydrophobicContact SD-CG2 3.86Å; M348-Y369 HydrophobicContact CE-CD1 3.28Å; M348-Y369 HydrophobicContact CE-CD2 4.28Å; M348-Y369 HydrophobicContact CE-CE1 3.54Å; M348-Y369 HydrophobicContact CE-CE2 4.47Å; M348-Y369 HydrophobicContact CE-CG 3.69Å; M348-Y369 HydrophobicContact SD-CD1 4.46Å; M348-Y369 HydrophobicContact SD-CG 4.44Å
349	K	98.8	Very high	98.3	Very high	93 Å²	93	50.3 Å²	50.3	40%	0.404	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	132.6	167.4	-176.1	-175.4	173	67.2	0	108.7	L278 D284 T368 V370	L278-K349 HydrophobicContact CB-CB 4.48Å; L278-K349 HydrophobicContact CD2-CB 3.95Å; L278-K349 HydrophobicContact CD2-CD 4.26Å; L278-K349 HydrophobicContact CD2-CG 4.12Å; D284-K349 WeakPolarHBondContact OD1-CA 3.17Å; K349-T368 PolarHBondContact N-O 3.41Å; K349-T368 PolarHBondContact O-N 2.79Å; K349-V370 HydrophobicContact CB-CG2 3.78Å
350	G	98.2	Very high	98.3	Very high	3 Å²	3	51.1 Å²	51.1	3%	0.031	26%	0.263	C	S	.	.			trans	-89.8	-179.4	176.7	0	0	0	0	0	113.8	E283 D284	E283-G350 VanDerWaalsContact CD-C 3.46Å; D284-G350 PolarHBondContact OD1-N 3.36Å
351	Q	97.9	Very high	98.3	Very high	67 Å²	67	51 Å²	51	31%	0.313	26%	0.263	S	S	.	.			trans	-158.1	162.4	176	61.6	-157.9	41.3	0	0	107.3	E283 L353	E283-Q351 VanDerWaalsContact CD-C 3.46Å; E283-Q351 WeakPolarHBondContact OE1-CA 3.23Å; E283-Q351 PolarHBondContact OE1-N 2.87Å; E283-Q351 WeakPolarHBondContact OE2-CA 3.45Å; Q351-L353 PolarHBondContact O-N 3.38Å
352	Q	97.6	Very high	98.3	Very high	143 Å²	143	53.4 Å²	53.4	67%	0.668	28%	0.279	S	S	*	.			trans	-57.4	132.3	168.3	-168.7	-174.2	-2.2	0	0	109.7	E283 M354	E283-Q352 PolarHBondContact OE2-N 3.25Å; E283-Q352 VanDerWaalsContact OE2-N 3.14Å; Q352-M354 PolarHBondContact O-N 3.12Å
353	L	98	Very high	98.2	Very high	72 Å²	72	55 Å²	55	38%	0.377	29%	0.292	S	S	.	.			trans	-66.2	129.4	173.9	-74.1	178.3	0	0	0	110	I311 L315 Q351 Q366	I311-L353 HydrophobicContact CD1-CD1 4.39Å; L315-L353 HydrophobicContact CD1-CD2 4.27Å; L315-L353 HydrophobicContact CD2-CD1 4.43Å; L315-L353 HydrophobicContact CD2-CD2 4.38Å; Q351-L353 PolarHBondContact O-N 3.38Å; L353-Q366 HydrophobicContact CD2-CB 3.87Å; L353-Q366 HydrophobicContact CD2-CG 4.33Å
354	M	97	Very high	98.2	Very high	107 Å²	107	55 Å²	55	53%	0.527	29%	0.294	S	S	.	.			trans	-118.4	149.8	-178.3	-64.6	-66.7	-126.9	0	0	110.5	Q352 Q356 Q366	Q352-M354 PolarHBondContact O-N 3.12Å; M354-Q356 HydrophobicContact CB-CG 3.99Å; M354-Q356 PolarHBondContact O-N 3.08Å; M354-Q366 PolarHBondContact O-NE2 3.18Å; M354-Q366 PolarHBondContact O-OE1 3.38Å
355	Q	96.2	Very high	98.2	Very high	156 Å²	156	55.1 Å²	55.1	73%	0.729	29%	0.293	S	S	*	.			trans	-72	118.6	163.1	-178	61.1	44.4	0	0	107.9
356	Q	96.4	Very high	98.2	Very high	86 Å²	86	55.8 Å²	55.8	40%	0.402	30%	0.297	S	S	.	.			trans	-129.1	148.6	-176	-62.9	179.3	-3.2	0	0	110.2	M354	M354-Q356 HydrophobicContact CB-CG 3.99Å; M354-Q356 PolarHBondContact O-N 3.08Å
357	T	98	Very high	98.2	Very high	122 Å²	122	56.5 Å²	56.5	75%	0.748	30%	0.3	S	S	*	.			trans	-65.5	127.3	167.6	-59.1	0	0	0	0	108.6	T359	T357-T359 PolarHBondContact O-N 3.07Å
358	P	98.5	Very high	98.2	Very high	62 Å²	62	58 Å²	58	40%	0.403	31%	0.313	S	S	.	.			trans	-59.1	129.9	179.6	-27.5	36.6	0	0	0	112.7	A233	A233-P358 HydrophobicContact CB-CB 3.99Å
359	T	98.6	Very high	98.2	Very high	86 Å²	86	62.9 Å²	62.9	53%	0.528	33%	0.332	S	S	.	.			trans	-119.5	-46.5	176.8	53.7	0	0	0	0	111.9	T357 A363	T357-T359 PolarHBondContact O-N 3.07Å; T359-A363 WeakPolarHBondContact OG1-CB 3.27Å
360	S	98.8	Very high	98.1	Very high	17 Å²	17	60 Å²	60	12%	0.119	32%	0.322	C	S	.	.			trans	-159.3	165	175.5	71	0	0	0	0	114	D214 S232 S362 A363 D364	D214-S360 WeakPolarHBondContact OD1-CB 3.48Å; S232-S360 CarbonylContact O-C 3.32Å; S232-S360 VanDerWaalsContact O-CA 3.27Å; S232-S360 WeakPolarHBondContact O-CA 3.42Å; S360-S362 VanDerWaalsContact C-N 3.26Å; S360-S362 PolarHBondContact O-N 3.29Å; S360-S362 PolarHBondContact OG-N 2.83Å; S360-A363 PolarHBondContact O-N 3.05Å; S360-A363 VanDerWaalsContact O-N 3.17Å; S360-A363 PolarHBondContact OG-N 3.13Å; S360-D364 VanDerWaalsContact O-CG 3.22Å; S360-D364 PolarHBondContact O-N 3.23Å; S360-D364 VanDerWaalsContact O-N 3.07Å
361	Y	98.8	Very high	98.1	Very high	0 Å²	0	63.7 Å²	63.7	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-50	-47	167.3	159.3	-103	0	0	0	112.1	L210 S232 P236 Y237 F294 W298 A363 D364 W365	L210-Y361 HydrophobicContact CD1-CD1 4.03Å; L210-Y361 HydrophobicContact CD1-CE1 4.18Å; S232-Y361 PolarHBondContact O-N 2.95Å; P236-Y361 HydrophobicContact CB-CG 4.45Å; Y237-Y361 AromaticContact CE1-CD2 3.85Å; Y237-Y361 HydrophobicContact CE1-CD2 3.85Å; Y237-Y361 AromaticContact CZ-CD2 3.93Å; Y237-Y361 WeakPolarHBondContact OH-CA 3.47Å; F294-Y361 HydrophobicContact CD1-CD2 4.31Å; F294-Y361 AromaticContact CD1-CE2 3.98Å; F294-Y361 HydrophobicContact CD1-CE2 3.98Å; F294-Y361 PolarHBondContact O-OH 3Å; W298-Y361 HydrophobicContact CD2-CE2 4.17Å; W298-Y361 HydrophobicContact CE3-CD2 4.39Å; W298-Y361 AromaticContact CE3-CE2 3.49Å; W298-Y361 HydrophobicContact CE3-CE2 3.49Å; W298-Y361 VanDerWaalsContact CE3-CE2 3.49Å; W298-Y361 AromaticContact CE3-CZ 3.65Å; W298-Y361 AromaticContact CH2-CD2 3.89Å; W298-Y361 HydrophobicContact CH2-CD2 3.89Å; W298-Y361 AromaticContact CH2-CE2 3.79Å; W298-Y361 HydrophobicContact CH2-CE2 3.79Å; W298-Y361 HydrophobicContact CH2-CG 4.39Å; W298-Y361 HydrophobicContact CZ2-CD2 4.44Å; W298-Y361 HydrophobicContact CZ2-CE2 4.39Å; W298-Y361 AromaticContact CZ3-CD2 3.86Å; W298-Y361 HydrophobicContact CZ3-CD2 3.86Å; W298-Y361 HydrophobicContact CZ3-CE1 4.05Å; W298-Y361 AromaticContact CZ3-CE2 3.29Å; W298-Y361 HydrophobicContact CZ3-CE2 3.29Å; W298-Y361 HydrophobicContact CZ3-CG 4.43Å; W298-Y361 AromaticContact CZ3-CZ 3.36Å; Y361-A363 VanDerWaalsContact C-N 3.31Å; Y361-A363 PolarHBondContact O-N 3.39Å; Y361-D364 WeakPolarHBondContact O-CB 3.41Å; Y361-D364 PolarHBondContact O-N 3.45Å; Y361-W365 AromaticContact CD2-NE1 3.76Å; Y361-W365 AromaticContact CE1-CE2 3.99Å; Y361-W365 AromaticContact CE1-CZ2 3.7Å; Y361-W365 HydrophobicContact CE1-CZ2 3.7Å; Y361-W365 AromaticContact CE1-NE1 3.67Å; Y361-W365 HydrophobicContact CE2-CZ2 4.31Å; Y361-W365 AromaticContact CE2-NE1 3.38Å; Y361-W365 AromaticContact CZ-CE2 3.71Å; Y361-W365 AromaticContact CZ-CZ2 3.47Å; Y361-W365 VanDerWaalsContact CZ-CZ2 3.47Å; Y361-W365 AromaticContact CZ-NE1 3.37Å; Y361-W365 PolarHBondContact O-NE1 3.45Å; Y361-W365 VanDerWaalsContact O-NE1 3.16Å; Y361-W365 WeakPolarHBondContact OH-CZ2 3.28Å
362	S	98.7	Very high	98.1	Very high	49 Å²	49	62.5 Å²	62.5	34%	0.343	34%	0.339	S	S	.	.	H	α-helix	trans	-61.9	-37	-179.6	-58.4	0	0	0	0	113	L210 D214 S360	L210-S362 VanDerWaalsContact CD1-OG 3.28Å; L210-S362 WeakPolarHBondContact CD1-OG 3.48Å; D214-S362 WeakPolarHBondContact OD2-CB 3.39Å; D214-S362 PolarHBondContact OD2-N 3.42Å; D214-S362 PolarHBondContact OD2-OG 3.19Å; S360-S362 VanDerWaalsContact C-N 3.26Å; S360-S362 PolarHBondContact O-N 3.29Å; S360-S362 PolarHBondContact OG-N 2.83Å
363	A	98.6	Very high	98.1	Very high	34 Å²	34	58.8 Å²	58.8	28%	0.281	32%	0.321	S	S	.	.	H	α-helix	trans	-74.5	-29.6	178.9	0	0	0	0	0	112.8	T359 S360 Y361 W365 Q366	T359-A363 WeakPolarHBondContact OG1-CB 3.27Å; S360-A363 PolarHBondContact O-N 3.05Å; S360-A363 VanDerWaalsContact O-N 3.17Å; S360-A363 PolarHBondContact OG-N 3.13Å; Y361-A363 VanDerWaalsContact C-N 3.31Å; Y361-A363 PolarHBondContact O-N 3.39Å; A363-W365 PolarHBondContact O-N 2.8Å; A363-W365 VanDerWaalsContact O-N 3.08Å; A363-Q366 PolarHBondContact O-N 3.18Å; A363-Q366 VanDerWaalsContact O-N 3.12Å
364	D	98.8	Very high	98.1	Very high	14 Å²	14	62.6 Å²	62.6	8%	0.075	34%	0.342	C	S	.	.	H	α-helix	trans	-61	-20.3	-178.5	-72.6	-38.8	0	0	0	113.6	Y237 F294 L315 V316 R319 S360 Y361 Q366	Y237-D364 WeakPolarHBondContact OH-CB 3.34Å; Y237-D364 PolarHBondContact OH-OD2 3.41Å; F294-D364 HydrophobicContact CE1-CB 3.86Å; F294-D364 HydrophobicContact CZ-CB 4.24Å; L315-D364 WeakPolarHBondContact CD1-O 2.93Å; V316-D364 HydrophobicContact CG2-CB 4.33Å; R319-D364 IonicContact CZ-OD1 3.28Å; R319-D364 IonicContact CZ-OD2 3.79Å; R319-D364 IonicContact NH1-OD1 3.47Å; R319-D364 IonicContact NH1-OD2 2.87Å; R319-D364 PolarHBondContact NH1-OD2 3.25Å; R319-D364 VanDerWaalsContact NH2-CG 3.25Å; R319-D364 IonicContact NH2-OD1 3.63Å; R319-D364 PolarHBondContact NH2-OD1 3.43Å; R319-D364 IonicContact NH2-OD2 2.72Å; R319-D364 PolarHBondContact NH2-OD2 2.9Å; R319-D364 VanDerWaalsContact NH2-OD2 3.16Å; S360-D364 VanDerWaalsContact O-CG 3.22Å; S360-D364 PolarHBondContact O-N 3.23Å; S360-D364 VanDerWaalsContact O-N 3.07Å; Y361-D364 WeakPolarHBondContact O-CB 3.41Å; Y361-D364 PolarHBondContact O-N 3.45Å; D364-Q366 PolarHBondContact O-N 3.46Å
365	W	98.7	Very high	98.1	Very high	6 Å²	6	61.3 Å²	61.3	2%	0.023	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-28.2	-179.7	-59.6	25.5	0	0	0	111.6	Y275 R290 A291 F294 H295 Y361 A363 V367 Y369	Y275-W365 HydrophobicContact CE2-CZ3 4.34Å; Y275-W365 AromaticContact CZ-CZ3 3.95Å; R290-W365 PolarHBondContact NE-O 2.95Å; R290-W365 VanDerWaalsContact NE-O 3.1Å; A291-W365 HydrophobicContact CB-CE3 3.96Å; A291-W365 HydrophobicContact CB-CZ3 4Å; F294-W365 HydrophobicContact CB-CD2 3.64Å; F294-W365 HydrophobicContact CB-CE3 4.28Å; F294-W365 HydrophobicContact CB-CG 3.81Å; F294-W365 HydrophobicContact CB-CZ2 4.09Å; F294-W365 AromaticContact CD1-CD1 3.21Å; F294-W365 HydrophobicContact CD1-CG 4.01Å; F294-W365 AromaticContact CD1-NE1 3.48Å; F294-W365 HydrophobicContact CD2-CG 4.39Å; F294-W365 AromaticContact CE1-CD1 3.86Å; F294-W365 AromaticContact CG-CD1 3.48Å; F294-W365 VanDerWaalsContact CG-CD1 3.48Å; F294-W365 HydrophobicContact CG-CD2 4.21Å; F294-W365 AromaticContact CG-CG 3.83Å; F294-W365 HydrophobicContact CG-CG 3.83Å; F294-W365 AromaticContact CG-NE1 3.78Å; H295-W365 HydrophobicContact CB-CH2 3.98Å; Y361-W365 AromaticContact CD2-NE1 3.76Å; Y361-W365 AromaticContact CE1-CE2 3.99Å; Y361-W365 AromaticContact CE1-CZ2 3.7Å; Y361-W365 HydrophobicContact CE1-CZ2 3.7Å; Y361-W365 AromaticContact CE1-NE1 3.67Å; Y361-W365 HydrophobicContact CE2-CZ2 4.31Å; Y361-W365 AromaticContact CE2-NE1 3.38Å; Y361-W365 AromaticContact CZ-CE2 3.71Å; Y361-W365 AromaticContact CZ-CZ2 3.47Å; Y361-W365 VanDerWaalsContact CZ-CZ2 3.47Å; Y361-W365 AromaticContact CZ-NE1 3.37Å; Y361-W365 PolarHBondContact O-NE1 3.45Å; Y361-W365 VanDerWaalsContact O-NE1 3.16Å; Y361-W365 WeakPolarHBondContact OH-CZ2 3.28Å; A363-W365 PolarHBondContact O-N 2.8Å; A363-W365 VanDerWaalsContact O-N 3.08Å; W365-V367 HydrophobicContact CB-CG1 4.31Å; W365-V367 HydrophobicContact CB-CG2 3.9Å; W365-V367 HydrophobicContact CE3-CG2 4.03Å; W365-V367 WeakPolarHBondContact O-CG1 3.3Å; W365-V367 PolarHBondContact O-N 2.83Å; W365-Y369 VanDerWaalsContact CZ3-OH 3.23Å; W365-Y369 WeakPolarHBondContact CZ3-OH 3.22Å
366	Q	98.6	Very high	98.2	Very high	15 Å²	15	61.5 Å²	61.5	7%	0.07	35%	0.354	C	S	.	.			trans	48.5	54.7	-173.1	-57.7	-171.1	40.7	0	0	112	R290 L353 M354 A363 D364	R290-Q366 PolarHBondContact NH2-O 2.84Å; L353-Q366 HydrophobicContact CD2-CB 3.87Å; L353-Q366 HydrophobicContact CD2-CG 4.33Å; M354-Q366 PolarHBondContact O-NE2 3.18Å; M354-Q366 PolarHBondContact O-OE1 3.38Å; A363-Q366 PolarHBondContact O-N 3.18Å; A363-Q366 VanDerWaalsContact O-N 3.12Å; D364-Q366 PolarHBondContact O-N 3.46Å
367	V	98.7	Very high	98.2	Very high	24 Å²	24	61.9 Å²	61.9	15%	0.145	36%	0.364	C	S	.	.			trans	-129.3	155.7	177.3	-57.7	0	0	0	0	110.4	A287 R290 M348 W365 Y369	A287-V367 HydrophobicContact CB-CG1 3.9Å; A287-V367 WeakPolarHBondContact O-CG1 3.29Å; R290-V367 HydrophobicContact CB-CG1 4.38Å; M348-V367 HydrophobicContact SD-CB 4.15Å; M348-V367 HydrophobicContact SD-CG2 3.86Å; W365-V367 HydrophobicContact CB-CG1 4.31Å; W365-V367 HydrophobicContact CB-CG2 3.9Å; W365-V367 HydrophobicContact CE3-CG2 4.03Å; W365-V367 WeakPolarHBondContact O-CG1 3.3Å; W365-V367 PolarHBondContact O-N 2.83Å; V367-Y369 HydrophobicContact CG2-CE2 4.34Å
368	T	98.7	Very high	98.3	Very high	63 Å²	63	56.7 Å²	56.7	39%	0.387	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	122.9	171.6	-64.9	0	0	0	0	109.8	K349 V370	K349-T368 PolarHBondContact N-O 3.41Å; K349-T368 PolarHBondContact O-N 2.79Å; T368-V370 HydrophobicContact CG2-CG2 4.33Å
369	Y	98.1	Very high	98.3	Very high	102 Å²	102	54.4 Å²	54.4	40%	0.4	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	132.9	173.4	-76.3	-104.7	0	0	0	110.7	Y275 M348 W365 V367 F371	Y275-Y369 AromaticContact CE1-CE1 3.82Å; Y275-Y369 HydrophobicContact CE1-CE1 3.82Å; Y275-Y369 PolarHBondContact OH-OH 3.36Å; M348-Y369 HydrophobicContact CE-CD1 3.28Å; M348-Y369 HydrophobicContact CE-CD2 4.28Å; M348-Y369 HydrophobicContact CE-CE1 3.54Å; M348-Y369 HydrophobicContact CE-CE2 4.47Å; M348-Y369 HydrophobicContact CE-CG 3.69Å; M348-Y369 HydrophobicContact SD-CD1 4.46Å; M348-Y369 HydrophobicContact SD-CG 4.44Å; W365-Y369 VanDerWaalsContact CZ3-OH 3.23Å; W365-Y369 WeakPolarHBondContact CZ3-OH 3.22Å; V367-Y369 HydrophobicContact CG2-CE2 4.34Å; Y369-F371 HydrophobicContact CD1-CZ 4.16Å
370	V	98.1	Very high	98.3	Very high	33 Å²	33	54.5 Å²	54.5	20%	0.2	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	133.7	174.9	-173.6	0	0	0	0	109.4	L278 Y347 K349 T368 A372	L278-V370 HydrophobicContact CD1-CB 4.47Å; L278-V370 HydrophobicContact CD1-CG1 4.07Å; L278-V370 HydrophobicContact CD2-CG1 4.39Å; L278-V370 HydrophobicContact CD2-CG2 4.22Å; Y347-V370 WeakPolarHBondContact CA-O 3.28Å; Y347-V370 VanDerWaalsContact CB-O 3.28Å; Y347-V370 WeakPolarHBondContact CB-O 3.32Å; Y347-V370 PolarHBondContact N-O 3.16Å; Y347-V370 PolarHBondContact O-N 3.46Å; K349-V370 HydrophobicContact CB-CG2 3.78Å; T368-V370 HydrophobicContact CG2-CG2 4.33Å; V370-A372 VanDerWaalsContact CG1-O 3.22Å; V370-A372 WeakPolarHBondContact CG1-O 3.29Å
371	F	97.9	Very high	98.3	Very high	79 Å²	79	58.3 Å²	58.3	35%	0.346	34%	0.337	S	S	.	.			trans	-110.7	7.5	-175.8	-58.2	-77.3	0	0	0	113.4	S346 Y369 P377 I378 Y388	S346-F371 WeakPolarHBondContact OG-CE1 3.39Å; Y369-F371 HydrophobicContact CD1-CZ 4.16Å; F371-P377 CarbonylContact O-C 3.51Å; F371-P377 WeakPolarHBondContact O-CA 3.48Å; F371-I378 PolarHBondContact O-N 2.86Å; F371-Y388 HydrophobicContact CB-CE1 4.02Å; F371-Y388 HydrophobicContact CD1-CD2 4.01Å; F371-Y388 HydrophobicContact CD1-CE1 4.17Å; F371-Y388 AromaticContact CD1-CE2 3.46Å; F371-Y388 HydrophobicContact CD1-CE2 3.46Å; F371-Y388 VanDerWaalsContact CD1-CE2 3.46Å; F371-Y388 AromaticContact CD1-CZ 3.55Å; F371-Y388 HydrophobicContact CE1-CD2 4.25Å; F371-Y388 AromaticContact CE1-CE2 3.71Å; F371-Y388 HydrophobicContact CE1-CE2 3.71Å; F371-Y388 HydrophobicContact CG-CE1 4.32Å; F371-Y388 HydrophobicContact CG-CE2 4.14Å; F371-Y388 AromaticContact CG-CZ 3.77Å
372	A	98	Very high	98.3	Very high	42 Å²	42	59.3 Å²	59.3	35%	0.347	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	147	175.4	0	0	0	0	0	111.7	V370 K376	V370-A372 VanDerWaalsContact CG1-O 3.22Å; V370-A372 WeakPolarHBondContact CG1-O 3.29Å; A372-K376 CarbonylContact C-O 3.49Å; A372-K376 WeakPolarHBondContact CA-O 3.17Å; A372-K376 WeakPolarHBondContact CB-O 3.16Å
373	K	97.7	Very high	98.3	Very high	66 Å²	66	59.4 Å²	59.4	29%	0.287	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	133	174.4	179.6	172.4	178.6	162	0	108.6	L278 Y347 G375 K376	L278-K373 HydrophobicContact CD1-CB 4.12Å; L278-K373 HydrophobicContact CD1-CG 4.24Å; L278-K373 WeakPolarHBondContact O-CD 3.46Å; L278-K373 WeakPolarHBondContact O-CE 3.49Å; L278-K373 PolarHBondContact O-NZ 3.49Å; Y347-K373 HydrophobicContact CD1-CD 4.37Å; Y347-K373 HydrophobicContact CD2-CB 3.97Å; Y347-K373 HydrophobicContact CE1-CB 4.4Å; Y347-K373 HydrophobicContact CE1-CD 3.88Å; Y347-K373 HydrophobicContact CE2-CB 3.49Å; Y347-K373 VanDerWaalsContact CE2-CB 3.49Å; Y347-K373 HydrophobicContact CE2-CD 4.47Å; K373-G375 VanDerWaalsContact C-N 3.27Å; K373-G375 PolarHBondContact O-N 3.41Å; K373-K376 PolarHBondContact N-O 3.17Å; K373-K376 PolarHBondContact O-N 3.44Å
374	N	97	Very high	98.2	Very high	152 Å²	152	58.1 Å²	58.1	81%	0.813	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.4	42.7	-177.3	-55.8	-26.7	0	0	0	113.2	K376	N374-K376 PolarHBondContact O-N 3.05Å
375	G	96.5	Very high	98.2	Very high	80 Å²	80	63.6 Å²	63.6	83%	0.825	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.1	3.4	-179.6	0	0	0	0	0	115.5	K373	K373-G375 VanDerWaalsContact C-N 3.27Å; K373-G375 PolarHBondContact O-N 3.41Å
376	K	98.1	Very high	98.2	Very high	160 Å²	160	69 Å²	69	70%	0.696	38%	0.381	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.6	130.7	178.2	-66.7	-173.8	178.1	177.1	0	110.9	A372 K373 N374	A372-K376 CarbonylContact C-O 3.49Å; A372-K376 WeakPolarHBondContact CA-O 3.17Å; A372-K376 WeakPolarHBondContact CB-O 3.16Å; K373-K376 PolarHBondContact N-O 3.17Å; K373-K376 PolarHBondContact O-N 3.44Å; N374-K376 PolarHBondContact O-N 3.05Å
377	P	98.4	Very high	98.2	Very high	94 Å²	94	68.3 Å²	68.3	61%	0.61	38%	0.377	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-55.9	149.4	170.4	-23.6	33.8	0	0	0	111.4	F371 G379	F371-P377 CarbonylContact O-C 3.51Å; F371-P377 WeakPolarHBondContact O-CA 3.48Å; P377-G379 PolarHBondContact O-N 3.42Å
378	I	98.7	Very high	98.2	Very high	13 Å²	13	68.7 Å²	68.7	7%	0.067	38%	0.376	C	S	.	.	S	Bend	trans	-60.9	-30.4	178.4	-165.1	166.7	0	0	0	112.1	A345 Y347 F371 Y388 V390 W392	A345-I378 HydrophobicContact CB-CD1 4.15Å; Y347-I378 HydrophobicContact CD1-CD1 4.36Å; Y347-I378 HydrophobicContact CD2-CB 4.14Å; Y347-I378 HydrophobicContact CD2-CD1 3.86Å; Y347-I378 HydrophobicContact CD2-CG1 4.16Å; Y347-I378 HydrophobicContact CE1-CD1 4.23Å; Y347-I378 HydrophobicContact CE2-CB 3.67Å; Y347-I378 HydrophobicContact CE2-CD1 3.74Å; Y347-I378 HydrophobicContact CE2-CG1 3.59Å; Y347-I378 HydrophobicContact CG-CD1 4.17Å; F371-I378 PolarHBondContact O-N 2.86Å; I378-Y388 HydrophobicContact CG2-CD1 3.63Å; I378-Y388 HydrophobicContact CG2-CE1 4.34Å; I378-Y388 HydrophobicContact CG2-CG 3.92Å; I378-V390 HydrophobicContact CB-CG2 4.44Å; I378-V390 HydrophobicContact CG1-CG1 4.14Å; I378-V390 HydrophobicContact CG1-CG2 3.95Å; I378-V390 HydrophobicContact CG2-CG2 3.98Å; I378-W392 HydrophobicContact CD1-CH2 3.88Å; I378-W392 HydrophobicContact CD1-CZ2 3.84Å; I378-W392 HydrophobicContact CG1-CH2 4.26Å; I378-W392 HydrophobicContact CG1-CZ2 3.69Å
379	G	98.6	Very high	98.2	Very high	13 Å²	13	66.5 Å²	66.5	13%	0.134	36%	0.362	C	S	.	.	S	Bend	trans	-177.3	170.6	175.4	0	0	0	0	0	110.5	P377 Y388	P377-G379 PolarHBondContact O-N 3.42Å; G379-Y388 WeakPolarHBondContact O-CD1 3.43Å
380	P	98.5	Very high	98.3	Very high	89 Å²	89	61.7 Å²	61.7	58%	0.578	34%	0.343	S	S	*	.			trans	-71	153.7	168.9	30.9	-32.6	0	0	0	110.5	Y388 I389	P380-Y388 CarbonylContact O-C 3.59Å; P380-Y388 WeakPolarHBondContact O-CA 3.47Å; P380-I389 HydrophobicContact CG-CB 4.17Å; P380-I389 HydrophobicContact CG-CD1 4.47Å; P380-I389 PolarHBondContact O-N 2.98Å
381	Q	98.7	Very high	98.3	Very high	97 Å²	97	61.4 Å²	61.4	45%	0.453	34%	0.342	S	S	.	.	B	Isolated β-bridge	trans	-85.7	149.3	174	-68.8	171	110.2	0	0	111	N385 L387 Y388	Q381-N385 PolarHBondContact OE1-O 3.07Å; Q381-L387 CarbonylContact C-O 3.55Å; Q381-L387 WeakPolarHBondContact CA-O 3.33Å; Q381-Y388 HydrophobicContact CG-CD1 3.84Å; Q381-Y388 HydrophobicContact CG-CD2 4.31Å; Q381-Y388 HydrophobicContact CG-CE1 3.63Å; Q381-Y388 HydrophobicContact CG-CE2 4.1Å; Q381-Y388 HydrophobicContact CG-CG 4.17Å; Q381-Y388 PolarHBondContact OE1-OH 3.32Å
382	A	98.6	Very high	98.4	Very high	20 Å²	20	61.5 Å²	61.5	17%	0.165	34%	0.34	C	S	.	.			trans	-77.9	-159.5	159.7	0	0	0	0	0	110.2	L387 M417 D418	A382-L387 HydrophobicContact CB-CB 4.27Å; A382-L387 HydrophobicContact CB-CD1 4.35Å; A382-L387 HydrophobicContact CB-CD2 3.94Å; A382-L387 HydrophobicContact CB-CG 4.4Å; A382-L387 PolarHBondContact N-O 2.66Å; A382-M417 HydrophobicContact CB-CB 4.09Å; A382-M417 HydrophobicContact CB-CE 4.06Å; A382-D418 VanDerWaalsContact CB-OD1 3.28Å; A382-D418 WeakPolarHBondContact CB-OD1 3.28Å
383	N	98.7	Very high	98.4	Very high	51 Å²	51	59.5 Å²	59.5	27%	0.273	32%	0.324	S	S	.	.	S	Bend	trans	-69.6	-40.1	175.5	164.8	79.1	0	0	0	111.8	N385 D418 P420	N383-N385 PolarHBondContact O-N 3.18Å; N383-D418 HydrophobicContact CB-CB 4.36Å; N383-D418 WeakPolarHBondContact CB-OD2 3.29Å; N383-D418 PolarHBondContact N-O 2.79Å; N383-D418 PolarHBondContact N-OD1 3.01Å; N383-D418 VanDerWaalsContact N-OD1 3.11Å; N383-D418 PolarHBondContact ND2-OD2 3.21Å; N383-P420 HydrophobicContact CB-CB 4.23Å; N383-P420 VanDerWaalsContact OD1-CA 3.27Å; N383-P420 WeakPolarHBondContact OD1-CA 3.38Å; N383-P420 WeakPolarHBondContact OD1-CB 3.41Å
384	S	98.5	Very high	98.5	Very high	8 Å²	8	56.4 Å²	56.4	6%	0.056	31%	0.31	C	S	.	.	S	Bend	trans	-70.1	120.2	174.5	-76.5	0	0	0	0	110.7	W386 L387 D418	S384-W386 PolarHBondContact O-N 3.37Å; S384-L387 WeakPolarHBondContact O-CB 3.38Å; S384-L387 PolarHBondContact O-N 2.04Å; S384-D418 WeakPolarHBondContact CB-OD2 3.21Å; S384-D418 VanDerWaalsContact N-CG 3.32Å; S384-D418 PolarHBondContact N-OD1 3.31Å; S384-D418 PolarHBondContact N-OD2 3.34Å; S384-D418 PolarHBondContact OG-OD2 3.31Å
385	N	98.4	Very high	98.6	Very high	129 Å²	129	51.6 Å²	51.6	69%	0.69	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-23.5	-177.1	-65.9	-16.9	0	0	0	114.4	Q381 N383	Q381-N385 PolarHBondContact OE1-O 3.07Å; N383-N385 PolarHBondContact O-N 3.18Å
386	W	98.4	Very high	98.7	Very high	120 Å²	120	48 Å²	48	46%	0.455	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-16	177.8	57.3	-99.6	0	0	0	112.9	Y343 T344 S384 Y388 F477	Y343-W386 HydrophobicContact CD1-CH2 4.14Å; Y343-W386 HydrophobicContact CD1-CZ3 4.41Å; Y343-W386 HydrophobicContact CD2-CH2 4.49Å; Y343-W386 HydrophobicContact CG-CH2 4.08Å; Y343-W386 HydrophobicContact CG-CZ3 4.01Å; T344-W386 HydrophobicContact CG2-CE3 4.21Å; T344-W386 HydrophobicContact CG2-CZ3 4.45Å; S384-W386 PolarHBondContact O-N 3.37Å; W386-Y388 PolarHBondContact O-N 3.23Å; W386-F477 HydrophobicContact CH2-CZ 4.25Å; W386-F477 HydrophobicContact CZ2-CZ 4.14Å
387	L	98.8	Very high	98.7	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.212	C	C	.	.			trans	-98.1	89.8	-168.8	-158.4	171.3	0	0	0	110.7	Y343 Q381 A382 S384 I389 M417 F437 F477	Y343-L387 HydrophobicContact CD1-CD1 4.26Å; Q381-L387 CarbonylContact C-O 3.55Å; Q381-L387 WeakPolarHBondContact CA-O 3.33Å; A382-L387 HydrophobicContact CB-CB 4.27Å; A382-L387 HydrophobicContact CB-CD1 4.35Å; A382-L387 HydrophobicContact CB-CD2 3.94Å; A382-L387 HydrophobicContact CB-CG 4.4Å; A382-L387 PolarHBondContact N-O 2.66Å; S384-L387 WeakPolarHBondContact O-CB 3.38Å; S384-L387 PolarHBondContact O-N 2.04Å; L387-I389 HydrophobicContact CD2-CG1 4.39Å; L387-M417 HydrophobicContact CD1-CB 4.31Å; L387-M417 HydrophobicContact CD2-CB 4.26Å; L387-F437 HydrophobicContact CD2-CE2 4.29Å; L387-F477 HydrophobicContact CD1-CE1 3.82Å; L387-F477 HydrophobicContact CD1-CZ 3.83Å
388	Y	98.9	Very high	98.7	Very high	32 Å²	32	36.2 Å²	36.2	13%	0.125	18%	0.184	C	C	.	.	B	Isolated β-bridge	trans	-83.2	131	168.6	-66	-104.9	0	0	0	109.3	T344 F371 I378 G379 P380 Q381 W386 V390	T344-Y388 WeakPolarHBondContact CB-O 3.46Å; T344-Y388 WeakPolarHBondContact OG1-CB 3.47Å; T344-Y388 PolarHBondContact OG1-N 3.3Å; T344-Y388 PolarHBondContact OG1-O 3.36Å; T344-Y388 VanDerWaalsContact OG1-O 3.05Å; F371-Y388 HydrophobicContact CB-CE1 4.02Å; F371-Y388 HydrophobicContact CD1-CD2 4.01Å; F371-Y388 HydrophobicContact CD1-CE1 4.17Å; F371-Y388 AromaticContact CD1-CE2 3.46Å; F371-Y388 HydrophobicContact CD1-CE2 3.46Å; F371-Y388 VanDerWaalsContact CD1-CE2 3.46Å; F371-Y388 AromaticContact CD1-CZ 3.55Å; F371-Y388 HydrophobicContact CE1-CD2 4.25Å; F371-Y388 AromaticContact CE1-CE2 3.71Å; F371-Y388 HydrophobicContact CE1-CE2 3.71Å; F371-Y388 HydrophobicContact CG-CE1 4.32Å; F371-Y388 HydrophobicContact CG-CE2 4.14Å; F371-Y388 AromaticContact CG-CZ 3.77Å; I378-Y388 HydrophobicContact CG2-CD1 3.63Å; I378-Y388 HydrophobicContact CG2-CE1 4.34Å; I378-Y388 HydrophobicContact CG2-CG 3.92Å; G379-Y388 WeakPolarHBondContact O-CD1 3.43Å; P380-Y388 CarbonylContact O-C 3.59Å; P380-Y388 WeakPolarHBondContact O-CA 3.47Å; Q381-Y388 HydrophobicContact CG-CD1 3.84Å; Q381-Y388 HydrophobicContact CG-CD2 4.31Å; Q381-Y388 HydrophobicContact CG-CE1 3.63Å; Q381-Y388 HydrophobicContact CG-CE2 4.1Å; Q381-Y388 HydrophobicContact CG-CG 4.17Å; Q381-Y388 PolarHBondContact OE1-OH 3.32Å; W386-Y388 PolarHBondContact O-N 3.23Å; Y388-V390 PolarHBondContact O-N 3.05Å
389	I	98.9	Very high	98.8	Very high	16 Å²	16	37.4 Å²	37.4	8%	0.082	19%	0.19	C	C	.	.			trans	-77.8	95.2	178.4	-58.6	176.6	0	0	0	108.2	P380 L387 M417 T433 F437 Y441	P380-I389 HydrophobicContact CG-CB 4.17Å; P380-I389 HydrophobicContact CG-CD1 4.47Å; P380-I389 PolarHBondContact O-N 2.98Å; L387-I389 HydrophobicContact CD2-CG1 4.39Å; I389-M417 HydrophobicContact CD1-SD 4.11Å; I389-T433 HydrophobicContact CD1-CG2 3.8Å; I389-F437 HydrophobicContact CB-CD2 4.45Å; I389-F437 HydrophobicContact CG1-CD2 4.12Å; I389-F437 HydrophobicContact CG2-CD2 3.85Å; I389-Y441 HydrophobicContact CG2-CE2 4.19Å
390	V	98.9	Very high	98.8	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.006	19%	0.188	C	C	.	.			trans	-132.3	78.9	-172.8	-170.1	0	0	0	0	110.2	A345 I378 Y388 W392 G393 Y441	A345-V390 HydrophobicContact CB-CB 3.9Å; A345-V390 HydrophobicContact CB-CG1 3.7Å; A345-V390 HydrophobicContact CB-CG2 4.38Å; I378-V390 HydrophobicContact CB-CG2 4.44Å; I378-V390 HydrophobicContact CG1-CG1 4.14Å; I378-V390 HydrophobicContact CG1-CG2 3.95Å; I378-V390 HydrophobicContact CG2-CG2 3.98Å; Y388-V390 PolarHBondContact O-N 3.05Å; V390-W392 VanDerWaalsContact C-N 3.27Å; V390-W392 HydrophobicContact CG1-CD2 3.67Å; V390-W392 HydrophobicContact CG1-CE3 4.36Å; V390-W392 HydrophobicContact CG1-CG 4.1Å; V390-W392 HydrophobicContact CG1-CH2 4.05Å; V390-W392 HydrophobicContact CG1-CZ2 3.29Å; V390-W392 PolarHBondContact O-N 3.24Å; V390-W392 VanDerWaalsContact O-N 3.15Å; V390-G393 PolarHBondContact O-N 3.38Å; V390-Y441 PolarHBondContact N-OH 3.21Å
391	P	98.9	Very high	98.8	Very high	27 Å²	27	33.7 Å²	33.7	18%	0.175	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-36.7	-171.9	-26.3	33.4	0	0	0	114.6	G393 M394 S440 Y441 Q444	P391-G393 PolarHBondContact O-N 3.01Å; P391-M394 VanDerWaalsContact O-CB 3.3Å; P391-M394 WeakPolarHBondContact O-CB 3.09Å; P391-M394 PolarHBondContact O-N 3.25Å; P391-S440 VanDerWaalsContact CG-CB 3.5Å; P391-Y441 VanDerWaalsContact CA-CE2 3.43Å; P391-Y441 HydrophobicContact CB-CD2 3.71Å; P391-Y441 HydrophobicContact CB-CE2 3.91Å; P391-Y441 HydrophobicContact CB-CG 4.3Å; P391-Y441 HydrophobicContact CG-CD2 3.74Å; P391-Y441 HydrophobicContact CG-CE2 3.64Å; P391-Q444 HydrophobicContact CB-CG 3.96Å; P391-Q444 WeakPolarHBondContact O-CB 3.44Å; P391-Q444 WeakPolarHBondContact O-CG 3.29Å
392	W	98.9	Very high	98.8	Very high	82 Å²	82	31 Å²	31	31%	0.311	15%	0.148	S	C	.	.	H	α-helix	trans	-66.9	-15	-179.6	57.1	-101.1	0	0	0	113	W274 E276 A345 Y347 I378 V390 M394 Y395 G396	W274-W392 AromaticContact CD1-CE3 3.96Å; W274-W392 AromaticContact CD1-CZ3 3.28Å; W274-W392 HydrophobicContact CG-CZ3 4.48Å; W274-W392 AromaticContact NE1-CZ3 3.55Å; E276-W392 HydrophobicContact CB-CH2 3.85Å; E276-W392 HydrophobicContact CB-CZ3 3.98Å; E276-W392 HydrophobicContact CG-CH2 4.08Å; E276-W392 HydrophobicContact CG-CZ3 4.15Å; A345-W392 HydrophobicContact CB-CH2 4.28Å; Y347-W392 HydrophobicContact CE1-CH2 4.28Å; I378-W392 HydrophobicContact CD1-CH2 3.88Å; I378-W392 HydrophobicContact CD1-CZ2 3.84Å; I378-W392 HydrophobicContact CG1-CH2 4.26Å; I378-W392 HydrophobicContact CG1-CZ2 3.69Å; V390-W392 VanDerWaalsContact C-N 3.27Å; V390-W392 HydrophobicContact CG1-CD2 3.67Å; V390-W392 HydrophobicContact CG1-CE3 4.36Å; V390-W392 HydrophobicContact CG1-CG 4.1Å; V390-W392 HydrophobicContact CG1-CH2 4.05Å; V390-W392 HydrophobicContact CG1-CZ2 3.29Å; V390-W392 PolarHBondContact O-N 3.24Å; V390-W392 VanDerWaalsContact O-N 3.15Å; W392-M394 VanDerWaalsContact C-N 3.27Å; W392-M394 PolarHBondContact O-N 2.95Å; W392-Y395 PolarHBondContact O-N 3.19Å; W392-G396 PolarHBondContact O-N 2.67Å
393	G	98.9	Very high	98.8	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-63	-32	169.3	0	0	0	0	0	112.9	V390 P391 G396 C397	V390-G393 PolarHBondContact O-N 3.38Å; P391-G393 PolarHBondContact O-N 3.01Å; G393-G396 PolarHBondContact O-N 3.31Å; G393-C397 PolarHBondContact O-N 3.28Å; G393-C397 PolarHBondContact O-SG 3.37Å; G393-C397 VanDerWaalsContact O-SG 3.4Å
394	M	99	Very high	98.8	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-60.5	-49.1	172.4	178.3	62.3	76.3	0	0	111.1	Q342 P391 W392 C397 V398 I412 N415 Y441 Q444 L445 Y458	Q342-M394 HydrophobicContact CB-CE 3.83Å; Q342-M394 HydrophobicContact CB-SD 4.13Å; Q342-M394 HydrophobicContact CG-CE 4.09Å; Q342-M394 HydrophobicContact CG-SD 4.01Å; P391-M394 VanDerWaalsContact O-CB 3.3Å; P391-M394 WeakPolarHBondContact O-CB 3.09Å; P391-M394 PolarHBondContact O-N 3.25Å; W392-M394 VanDerWaalsContact C-N 3.27Å; W392-M394 PolarHBondContact O-N 2.95Å; M394-C397 PolarHBondContact O-N 3.32Å; M394-V398 WeakPolarHBondContact O-CB 3.46Å; M394-V398 VanDerWaalsContact O-CG2 3.25Å; M394-V398 WeakPolarHBondContact O-CG2 3.47Å; M394-V398 PolarHBondContact O-N 3.05Å; M394-V398 VanDerWaalsContact O-N 3.08Å; M394-V398 HydrophobicContact SD-CG2 4.05Å; M394-I412 HydrophobicContact CE-CG2 3.94Å; M394-I412 HydrophobicContact SD-CD1 3.84Å; M394-I412 HydrophobicContact SD-CG1 4.13Å; M394-N415 HydrophobicContact CE-CB 4.05Å; M394-Y441 HydrophobicContact CB-CD1 3.97Å; M394-Y441 HydrophobicContact CE-CD1 4.11Å; M394-Q444 HydrophobicContact CB-CB 4.28Å; M394-L445 HydrophobicContact CG-CB 3.86Å; M394-L445 HydrophobicContact CG-CD1 4.34Å; M394-L445 HydrophobicContact SD-CB 4.47Å; M394-L445 HydrophobicContact SD-CD1 4.11Å; M394-Y458 HydrophobicContact CE-CE2 4.49Å
395	Y	98.9	Very high	98.8	Very high	51 Å²	51	37.7 Å²	37.7	20%	0.2	17%	0.172	C	C	.	.	H	α-helix	trans	-60.2	-46.1	174.8	169.5	-89.3	0	0	0	111.2	W392 C397 V398 N399 K447 A448 E451	W392-Y395 PolarHBondContact O-N 3.19Å; Y395-C397 PolarHBondContact O-N 2.95Å; Y395-V398 PolarHBondContact O-N 3.36Å; Y395-N399 HydrophobicContact CE1-CB 4.29Å; Y395-N399 HydrophobicContact CE2-CB 4.4Å; Y395-N399 WeakPolarHBondContact O-CB 3.4Å; Y395-N399 PolarHBondContact O-N 3.39Å; Y395-K447 HydrophobicContact CD2-CB 4.25Å; Y395-K447 HydrophobicContact CD2-CD 3.73Å; Y395-K447 HydrophobicContact CD2-CG 3.85Å; Y395-K447 HydrophobicContact CE2-CD 3.85Å; Y395-K447 HydrophobicContact CE2-CG 3.92Å; Y395-K447 HydrophobicContact CG-CD 4.43Å; Y395-A448 HydrophobicContact CD2-CB 3.89Å; Y395-A448 HydrophobicContact CE2-CB 4.43Å; Y395-E451 VanDerWaalsContact CE2-OE2 3.29Å; Y395-E451 WeakPolarHBondContact CE2-OE2 3.46Å; Y395-E451 PolarHBondContact OH-OE2 3.28Å
396	G	98.9	Very high	98.9	Very high	6 Å²	6	35 Å²	35	6%	0.062	17%	0.174	C	C	.	.	H	α-helix	trans	-54.9	-53.3	178.2	0	0	0	0	0	112.2	W274 W392 G393 Y400	W274-G396 WeakPolarHBondContact CZ3-O 3.27Å; W392-G396 PolarHBondContact O-N 2.67Å; G393-G396 PolarHBondContact O-N 3.31Å; G396-Y400 WeakPolarHBondContact O-CB 3.47Å; G396-Y400 PolarHBondContact O-N 2.88Å
397	C	99	Very high	98.9	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.007	17%	0.166	C	C	.	.	H	α-helix	trans	-59.9	-50.5	179.7	-71.8	0	0	0	0	112.4	F272 Q342 G393 M394 Y395 Y400 I401	F272-C397 HydrophobicContact CD1-CB 3.52Å; F272-C397 VanDerWaalsContact CD1-SG 3.54Å; F272-C397 HydrophobicContact CE1-CB 3.64Å; F272-C397 HydrophobicContact CG-CB 4.28Å; F272-C397 HydrophobicContact CZ-CB 4.46Å; F272-C397 PolarHBondContact O-SG 2.8Å; Q342-C397 HydrophobicContact CG-CB 4.13Å; G393-C397 PolarHBondContact O-N 3.28Å; G393-C397 PolarHBondContact O-SG 3.37Å; G393-C397 VanDerWaalsContact O-SG 3.4Å; M394-C397 PolarHBondContact O-N 3.32Å; Y395-C397 PolarHBondContact O-N 2.95Å; C397-Y400 PolarHBondContact O-N 3.23Å; C397-I401 WeakPolarHBondContact O-CG1 3.19Å; C397-I401 PolarHBondContact O-N 3.43Å
398	V	98.9	Very high	98.9	Very high	4 Å²	4	32.9 Å²	32.9	2%	0.024	17%	0.173	C	C	.	.	H	α-helix	trans	-66.2	-46.6	-176.3	174.5	0	0	0	0	111.1	M394 Y395 Y400 I401 K402 I412 L445 A448 A453 V455	M394-V398 WeakPolarHBondContact O-CB 3.46Å; M394-V398 VanDerWaalsContact O-CG2 3.25Å; M394-V398 WeakPolarHBondContact O-CG2 3.47Å; M394-V398 PolarHBondContact O-N 3.05Å; M394-V398 VanDerWaalsContact O-N 3.08Å; M394-V398 HydrophobicContact SD-CG2 4.05Å; Y395-V398 PolarHBondContact O-N 3.36Å; V398-Y400 VanDerWaalsContact C-N 3.35Å; V398-Y400 PolarHBondContact O-N 2.86Å; V398-I401 PolarHBondContact O-N 3.09Å; V398-K402 WeakPolarHBondContact O-CB 3.09Å; V398-K402 PolarHBondContact O-N 3.42Å; V398-I412 HydrophobicContact CG2-CD1 4.01Å; V398-L445 HydrophobicContact CG2-CD1 3.76Å; V398-A448 HydrophobicContact CB-CB 3.9Å; V398-A448 HydrophobicContact CG1-CB 3.57Å; V398-A453 HydrophobicContact CG1-CB 3.46Å; V398-A453 VanDerWaalsContact CG1-CB 3.46Å; V398-V455 HydrophobicContact CG1-CG2 3.62Å
399	N	98.9	Very high	98.9	Very high	38 Å²	38	33.4 Å²	33.4	20%	0.203	18%	0.18	C	C	.	.	H	α-helix	trans	-64	-40.5	177.8	179.8	53.7	0	0	0	111.3	Y395 I401 K402 Q403	Y395-N399 HydrophobicContact CE1-CB 4.29Å; Y395-N399 HydrophobicContact CE2-CB 4.4Å; Y395-N399 WeakPolarHBondContact O-CB 3.4Å; Y395-N399 PolarHBondContact O-N 3.39Å; N399-I401 PolarHBondContact O-N 3.32Å; N399-K402 WeakPolarHBondContact O-CB 3.16Å; N399-K402 PolarHBondContact O-N 3.17Å; N399-Q403 VanDerWaalsContact O-CG 3.25Å; N399-Q403 WeakPolarHBondContact O-CG 3.42Å; N399-Q403 PolarHBondContact O-N 3.05Å
400	Y	99	Very high	98.9	Very high	23 Å²	23	33 Å²	33	9%	0.09	18%	0.178	C	C	.	.	H	α-helix	trans	-60.4	-45.1	176.2	175.4	-98.5	0	0	0	112.3	F272 W274 Q289 R292 D293 I296 G396 C397 V398 K402 Q403 K404 Y405	F272-Y400 AromaticContact CE1-CD1 3.78Å; F272-Y400 HydrophobicContact CE1-CD1 3.78Å; F272-Y400 HydrophobicContact CE1-CE1 4.46Å; F272-Y400 AromaticContact CZ-CD1 3.74Å; F272-Y400 HydrophobicContact CZ-CD1 3.74Å; F272-Y400 HydrophobicContact CZ-CE1 4.15Å; F272-Y400 HydrophobicContact CZ-CG 4.45Å; W274-Y400 HydrophobicContact CH2-CD2 4.39Å; W274-Y400 HydrophobicContact CH2-CG 4.38Å; W274-Y400 VanDerWaalsContact CZ3-CB 3.49Å; W274-Y400 HydrophobicContact CZ3-CD2 4.33Å; W274-Y400 AromaticContact CZ3-CG 3.94Å; W274-Y400 HydrophobicContact CZ3-CG 3.94Å; Q289-Y400 PolarHBondContact NE2-OH 3.43Å; R292-Y400 HydrophobicContact CB-CE1 4.19Å; R292-Y400 HydrophobicContact CB-CE2 4.47Å; D293-Y400 PolarHBondContact OD1-OH 2.88Å; I296-Y400 HydrophobicContact CG2-CE1 4.13Å; G396-Y400 WeakPolarHBondContact O-CB 3.47Å; G396-Y400 PolarHBondContact O-N 2.88Å; C397-Y400 PolarHBondContact O-N 3.23Å; V398-Y400 VanDerWaalsContact C-N 3.35Å; V398-Y400 PolarHBondContact O-N 2.86Å; Y400-K402 VanDerWaalsContact C-N 3.35Å; Y400-K402 PolarHBondContact O-N 2.94Å; Y400-Q403 PolarHBondContact O-N 3.18Å; Y400-K404 HydrophobicContact CE1-CD 3.77Å; Y400-K404 HydrophobicContact CE2-CB 4.46Å; Y400-K404 HydrophobicContact CE2-CD 3.79Å; Y400-K404 VanDerWaalsContact O-CB 3.32Å; Y400-K404 WeakPolarHBondContact O-CB 3.44Å; Y400-K404 PolarHBondContact O-N 2.95Å; Y400-K404 WeakPolarHBondContact OH-CD 3.34Å; Y400-K404 VanDerWaalsContact OH-CE 3.29Å; Y400-K404 WeakPolarHBondContact OH-CE 3.39Å; Y400-Y405 HydrophobicContact CE1-CE2 4.11Å
401	I	98.9	Very high	98.9	Very high	2 Å²	2	33 Å²	33	1%	0.01	18%	0.178	C	C	.	.	H	α-helix	trans	-62.8	-44.3	176.9	-68.2	168.4	0	0	0	110.8	F272 L300 I340 C397 V398 N399 Q403 Y405 P408 V410	F272-I401 HydrophobicContact CD1-CD1 3.9Å; F272-I401 HydrophobicContact CD1-CG1 4.3Å; F272-I401 HydrophobicContact CE1-CD1 4.29Å; F272-I401 HydrophobicContact CE1-CG1 4.2Å; L300-I401 HydrophobicContact CD1-CD1 4.29Å; L300-I401 HydrophobicContact CD1-CG1 4.05Å; I340-I401 HydrophobicContact CD1-CD1 3.6Å; I340-I401 HydrophobicContact CG1-CD1 3.71Å; C397-I401 WeakPolarHBondContact O-CG1 3.19Å; C397-I401 PolarHBondContact O-N 3.43Å; V398-I401 PolarHBondContact O-N 3.09Å; N399-I401 PolarHBondContact O-N 3.32Å; I401-Q403 VanDerWaalsContact C-N 3.34Å; I401-Q403 PolarHBondContact O-N 3.11Å; I401-Y405 HydrophobicContact CG2-CD2 4.46Å; I401-Y405 PolarHBondContact O-N 3.45Å; I401-Y405 VanDerWaalsContact O-N 3.09Å; I401-P408 HydrophobicContact CG2-CG 3.76Å; I401-V410 HydrophobicContact CG2-CG2 3.84Å
402	K	98.9	Very high	98.9	Very high	41 Å²	41	31.7 Å²	31.7	18%	0.178	17%	0.17	C	C	.	.	H	α-helix	trans	-52.1	-52.6	175	170.5	-165.7	164.7	93	0	111.1	V398 N399 Y400 N407 E451 G452 A453	V398-K402 WeakPolarHBondContact O-CB 3.09Å; V398-K402 PolarHBondContact O-N 3.42Å; N399-K402 WeakPolarHBondContact O-CB 3.16Å; N399-K402 PolarHBondContact O-N 3.17Å; Y400-K402 VanDerWaalsContact C-N 3.35Å; Y400-K402 PolarHBondContact O-N 2.94Å; K402-N407 HydrophobicContact CG-CB 4.21Å; K402-N407 PolarHBondContact O-N 2.88Å; K402-E451 VanDerWaalsContact CE-O 3.31Å; K402-E451 WeakPolarHBondContact CE-O 3.33Å; K402-E451 PolarHBondContact NZ-O 3.07Å; K402-G452 PolarHBondContact NZ-O 3.19Å; K402-A453 HydrophobicContact CB-CB 4.22Å; K402-A453 HydrophobicContact CD-CB 4.1Å; K402-A453 HydrophobicContact CG-CB 4.48Å
403	Q	98.9	Very high	98.9	Very high	130 Å²	130	27.8 Å²	27.8	61%	0.607	16%	0.155	S	C	*	.	H	α-helix	trans	-76.3	-41.3	-172.5	-61.1	-64.7	-9.9	0	0	113	N399 Y400 I401	N399-Q403 VanDerWaalsContact O-CG 3.25Å; N399-Q403 WeakPolarHBondContact O-CG 3.42Å; N399-Q403 PolarHBondContact O-N 3.05Å; Y400-Q403 PolarHBondContact O-N 3.18Å; I401-Q403 VanDerWaalsContact C-N 3.34Å; I401-Q403 PolarHBondContact O-N 3.11Å
404	K	98.8	Very high	98.9	Very high	78 Å²	78	28 Å²	28	34%	0.339	16%	0.156	S	C	.	.	H	α-helix	trans	-82.3	-34.3	-173.3	-177.1	176.5	166.5	97.4	0	113.8	D293 Y400	D293-K404 WeakPolarHBondContact OD1-CE 3.49Å; D293-K404 IonicContact OD1-NZ 3.75Å; D293-K404 PolarHBondContact OD1-NZ 3.15Å; Y400-K404 HydrophobicContact CE1-CD 3.77Å; Y400-K404 HydrophobicContact CE2-CB 4.46Å; Y400-K404 HydrophobicContact CE2-CD 3.79Å; Y400-K404 VanDerWaalsContact O-CB 3.32Å; Y400-K404 WeakPolarHBondContact O-CB 3.44Å; Y400-K404 PolarHBondContact O-N 2.95Å; Y400-K404 WeakPolarHBondContact OH-CD 3.34Å; Y400-K404 VanDerWaalsContact OH-CE 3.29Å; Y400-K404 WeakPolarHBondContact OH-CE 3.39Å
405	Y	98.9	Very high	98.9	Very high	11 Å²	11	28 Å²	28	4%	0.043	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.8	18.7	-168.8	-64.2	-72.6	0	0	0	113.9	G297 L300 D301 I304 Y400 I401 P408	G297-Y405 WeakPolarHBondContact CA-OH 3.47Å; L300-Y405 HydrophobicContact CB-CD1 4.32Å; L300-Y405 HydrophobicContact CB-CD2 4.46Å; L300-Y405 HydrophobicContact CB-CE1 3.83Å; L300-Y405 HydrophobicContact CB-CE2 3.98Å; L300-Y405 HydrophobicContact CD1-CD2 3.69Å; L300-Y405 HydrophobicContact CD1-CE2 3.6Å; L300-Y405 HydrophobicContact CD1-CG 4.34Å; L300-Y405 HydrophobicContact CG-CE2 4.46Å; D301-Y405 WeakPolarHBondContact OD2-CE1 3.49Å; D301-Y405 PolarHBondContact OD2-OH 2.81Å; I304-Y405 HydrophobicContact CB-CD1 4.12Å; I304-Y405 HydrophobicContact CG1-CD1 4.17Å; I304-Y405 HydrophobicContact CG2-CD1 4.27Å; Y400-Y405 HydrophobicContact CE1-CE2 4.11Å; I401-Y405 HydrophobicContact CG2-CD2 4.46Å; I401-Y405 PolarHBondContact O-N 3.45Å; I401-Y405 VanDerWaalsContact O-N 3.09Å; Y405-P408 WeakPolarHBondContact O-CD 3.35Å
406	G	98.6	Very high	98.9	Very high	72 Å²	72	25.6 Å²	25.6	74%	0.742	15%	0.146	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.2	33.1	177.4	0	0	0	0	0	113.8
407	N	98.8	Very high	98.9	Very high	53 Å²	53	25.7 Å²	25.7	28%	0.283	15%	0.145	S	C	.	.			trans	52.9	54.1	176.2	-158.3	24.2	0	0	0	115.3	K402 G452 N454	K402-N407 HydrophobicContact CG-CB 4.21Å; K402-N407 PolarHBondContact O-N 2.88Å; N407-G452 PolarHBondContact ND2-O 2.98Å; N407-N454 WeakPolarHBondContact OD1-CB 3.28Å; N407-N454 PolarHBondContact OD1-N 2.74Å
408	P	98.9	Very high	98.9	Very high	23 Å²	23	25.7 Å²	25.7	15%	0.149	15%	0.145	C	C	.	.			trans	-62.7	162.2	177.9	31.5	-35.9	0	0	0	110.6	I304 I338 I401 Y405 V410	I304-P408 HydrophobicContact CD1-CB 4.34Å; I338-P408 HydrophobicContact CG1-CB 4.49Å; I401-P408 HydrophobicContact CG2-CG 3.76Å; Y405-P408 WeakPolarHBondContact O-CD 3.35Å; P408-V410 PolarHBondContact O-N 3.09Å
409	T	98.9	Very high	98.9	Very high	43 Å²	43	26.4 Å²	26.4	26%	0.264	15%	0.148	S	C	.	.			trans	-67.6	119.6	173	-56.7	0	0	0	0	109.4	Y337 I338 N454 A456	Y337-T409 CarbonylContact C-O 3.55Å; Y337-T409 VanDerWaalsContact CA-O 3.29Å; Y337-T409 WeakPolarHBondContact CA-O 3.38Å; Y337-T409 WeakPolarHBondContact CB-O 3.39Å; I338-T409 PolarHBondContact N-O 2.88Å; T409-N454 WeakPolarHBondContact CA-ND2 3.47Å; T409-N454 PolarHBondContact OG1-ND2 2.95Å; T409-N454 VanDerWaalsContact OG1-ND2 3.12Å; T409-A456 HydrophobicContact CG2-CB 3.88Å
410	V	99	Very high	98.9	Very high	6 Å²	6	27.2 Å²	27.2	4%	0.036	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	144.9	178.3	174.5	0	0	0	0	110.2	I338 I340 I401 P408 I412 N454 V455 A456	I338-V410 CarbonylContact O-C 3.45Å; I338-V410 WeakPolarHBondContact O-CA 3.33Å; I340-V410 HydrophobicContact CB-CG1 4.36Å; I340-V410 HydrophobicContact CG1-CG1 3.9Å; I401-V410 HydrophobicContact CG2-CG2 3.84Å; P408-V410 PolarHBondContact O-N 3.09Å; V410-I412 HydrophobicContact CG1-CD1 4.23Å; V410-N454 PolarHBondContact N-O 3.35Å; V410-V455 HydrophobicContact CB-CG2 4.41Å; V410-V455 CarbonylContact O-C 3.56Å; V410-V455 WeakPolarHBondContact O-CA 3.42Å; V410-A456 PolarHBondContact O-N 2.64Å
411	V	99	Very high	98.8	Very high	2 Å²	2	27.4 Å²	27.4	1%	0.012	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	126.2	165.3	179.8	0	0	0	0	107	I338 G339 I340 T413 A456 F459	I338-V411 PolarHBondContact O-N 2.98Å; G339-V411 CarbonylContact C-O 3.52Å; G339-V411 VanDerWaalsContact CA-O 3.31Å; G339-V411 WeakPolarHBondContact CA-O 3.2Å; I340-V411 PolarHBondContact N-O 3.49Å; V411-T413 HydrophobicContact CB-CG2 4.16Å; V411-T413 HydrophobicContact CG1-CG2 3.85Å; V411-T413 PolarHBondContact O-N 3.03Å; V411-T413 VanDerWaalsContact O-N 3.11Å; V411-A456 HydrophobicContact CG2-CB 4.39Å; V411-F459 HydrophobicContact CG1-CD2 3.73Å; V411-F459 HydrophobicContact CG1-CE2 3.6Å
412	I	99	Very high	98.8	Very high	0 Å²	0	35 Å²	35	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	103.5	169.3	-57.5	-55.7	0	0	0	106.8	I340 M394 V398 V410 N415 L445 V455 G457 Y458 F459	I340-I412 HydrophobicContact CB-CD1 4.23Å; I340-I412 HydrophobicContact CG2-CD1 4.45Å; I340-I412 CarbonylContact O-C 3.58Å; I340-I412 WeakPolarHBondContact O-CA 3.41Å; M394-I412 HydrophobicContact CE-CG2 3.94Å; M394-I412 HydrophobicContact SD-CD1 3.84Å; M394-I412 HydrophobicContact SD-CG1 4.13Å; V398-I412 HydrophobicContact CG2-CD1 4.01Å; V410-I412 HydrophobicContact CG1-CD1 4.23Å; I412-N415 HydrophobicContact CG2-CB 4.12Å; I412-L445 HydrophobicContact CD1-CD1 4.4Å; I412-L445 HydrophobicContact CG1-CD1 3.94Å; I412-L445 HydrophobicContact CG1-CD2 3.99Å; I412-V455 HydrophobicContact CG1-CG1 4.26Å; I412-G457 PolarHBondContact N-O 2.82Å; I412-Y458 HydrophobicContact CB-CD2 3.85Å; I412-Y458 HydrophobicContact CG1-CD2 4.43Å; I412-Y458 HydrophobicContact CG2-CD2 3.66Å; I412-Y458 HydrophobicContact CG2-CE2 3.95Å; I412-Y458 CarbonylContact O-C 3.59Å; I412-Y458 WeakPolarHBondContact O-CA 3.47Å; I412-F459 PolarHBondContact O-N 3.11Å
413	T	98.9	Very high	98.8	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	-18.6	-170.2	38.8	0	0	0	0	113.6	R114 F200 V269 I340 N341 V411 F459	R114-T413 PolarHBondContact NH1-O 3.39Å; F200-T413 HydrophobicContact CE1-CG2 3.88Å; F200-T413 HydrophobicContact CE2-CG2 3.94Å; F200-T413 HydrophobicContact CZ-CG2 3.39Å; V269-T413 VanDerWaalsContact CG1-OG1 3.27Å; V269-T413 WeakPolarHBondContact CG1-OG1 3.34Å; V269-T413 HydrophobicContact CG2-CG2 3.94Å; I340-T413 PolarHBondContact N-OG1 3.43Å; I340-T413 PolarHBondContact O-N 2.81Å; I340-T413 PolarHBondContact O-OG1 2.94Å; N341-T413 WeakPolarHBondContact OD1-CB 3.38Å; N341-T413 PolarHBondContact OD1-OG1 2.64Å; V411-T413 HydrophobicContact CB-CG2 4.16Å; V411-T413 HydrophobicContact CG1-CG2 3.85Å; V411-T413 PolarHBondContact O-N 3.03Å; V411-T413 VanDerWaalsContact O-N 3.11Å; T413-F459 VanDerWaalsContact O-CB 3.31Å; T413-F459 WeakPolarHBondContact O-CB 3.44Å
414	E	98.9	Very high	98.8	Very high	4 Å²	4	32.1 Å²	32.1	2%	0.019	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	138	169.3	-63.9	178.1	-156	0	0	110.3	A52 R114 H158 N203 N341 Q342 Y343 F459 W461	A52-E414 HydrophobicContact CB-CG 4.47Å; R114-E414 IonicContact CZ-OE1 3.16Å; R114-E414 IonicContact NH1-OE1 3.57Å; R114-E414 PolarHBondContact NH1-OE1 3Å; R114-E414 IonicContact NH2-OE1 2.71Å; H158-E414 IonicContact CE1-OE1 2.74Å; N203-E414 PolarHBondContact OD1-OE1 2.86Å; N341-E414 WeakPolarHBondContact CA-O 3.47Å; N341-E414 HydrophobicContact CB-CB 3.91Å; N341-E414 HydrophobicContact CB-CG 4.46Å; N341-E414 VanDerWaalsContact CG-CB 3.48Å; N341-E414 VanDerWaalsContact CG-CD 3.45Å; N341-E414 PolarHBondContact ND2-OE1 2.94Å; N341-E414 PolarHBondContact ND2-OE2 3.31Å; N341-E414 VanDerWaalsContact ND2-OE2 3.14Å; N341-E414 WeakPolarHBondContact OD1-CB 3.28Å; N341-E414 VanDerWaalsContact OD1-CG 3.27Å; N341-E414 WeakPolarHBondContact OD1-CG 3.24Å; N341-E414 PolarHBondContact OD1-N 3.21Å; Q342-E414 PolarHBondContact N-O 3.16Å; Y343-E414 HydrophobicContact CE2-CB 4.08Å; Y343-E414 WeakPolarHBondContact OH-CB 3.47Å; Y343-E414 PolarHBondContact OH-OE2 3.43Å; E414-F459 CarbonylContact C-O 3.56Å; E414-F459 WeakPolarHBondContact CA-O 3.47Å; E414-W461 HydrophobicContact CB-CB 3.83Å; E414-W461 HydrophobicContact CB-CG 4.48Å; E414-W461 VanDerWaalsContact CD-CE3 3.44Å; E414-W461 HydrophobicContact CG-CB 4.06Å; E414-W461 HydrophobicContact CG-CD2 4.19Å; E414-W461 HydrophobicContact CG-CE3 3.7Å; E414-W461 HydrophobicContact CG-CG 4.37Å; E414-W461 HydrophobicContact CG-CZ3 4.46Å
415	N	99	Very high	98.8	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	20%	0.203	C	C	.	.			trans	-157.3	135.5	163.5	175.7	-118.8	0	0	0	107.7	Q342 M394 I412 F437 Y438 Y441 Y458 F459 W461	Q342-N415 WeakPolarHBondContact O-CA 3.35Å; Q342-N415 WeakPolarHBondContact O-CB 3.45Å; Q342-N415 PolarHBondContact O-ND2 3.32Å; M394-N415 HydrophobicContact CE-CB 4.05Å; I412-N415 HydrophobicContact CG2-CB 4.12Å; N415-F437 WeakPolarHBondContact ND2-CZ 3.39Å; N415-F437 VanDerWaalsContact OD1-CE1 3.28Å; N415-F437 WeakPolarHBondContact OD1-CE1 3.4Å; N415-Y438 WeakPolarHBondContact O-CE1 3.37Å; N415-Y441 WeakPolarHBondContact ND2-CD1 3.35Å; N415-Y458 HydrophobicContact CB-CE2 3.7Å; N415-Y458 WeakPolarHBondContact CB-OH 3.44Å; N415-Y458 PolarHBondContact OD1-OH 2.94Å; N415-F459 PolarHBondContact N-O 2.94Å; N415-W461 PolarHBondContact O-N 3.24Å
416	G	98.9	Very high	98.8	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	22%	0.219	C	C	.	.			trans	177.6	-179.4	-177.1	0	0	0	0	0	113.3	Y343 F437 W461	Y343-G416 WeakPolarHBondContact CD1-O 3.31Å; G416-F437 WeakPolarHBondContact O-CZ 3.48Å; G416-W461 WeakPolarHBondContact CA-O 3.49Å
417	M	98.9	Very high	98.8	Very high	8 Å²	8	38.5 Å²	38.5	4%	0.039	21%	0.207	C	C	.	.			trans	-147	158.1	175.2	63.7	138.4	-67.5	0	0	110.8	A382 L387 I389 T433 R434 F437	A382-M417 HydrophobicContact CB-CB 4.09Å; A382-M417 HydrophobicContact CB-CE 4.06Å; L387-M417 HydrophobicContact CD1-CB 4.31Å; L387-M417 HydrophobicContact CD2-CB 4.26Å; I389-M417 HydrophobicContact CD1-SD 4.11Å; M417-T433 HydrophobicContact CE-CG2 4.43Å; M417-T433 HydrophobicContact SD-CG2 3.74Å; M417-R434 HydrophobicContact CG-CB 4.11Å; M417-R434 HydrophobicContact CG-CG 4.1Å; M417-R434 VanDerWaalsContact O-CZ 3.32Å; M417-R434 PolarHBondContact O-NE 3.39Å; M417-R434 PolarHBondContact O-NH2 3.1Å; M417-R434 HydrophobicContact SD-CB 4.07Å; M417-F437 HydrophobicContact CB-CD2 3.86Å; M417-F437 HydrophobicContact CB-CE2 3.99Å; M417-F437 HydrophobicContact CB-CG 4.23Å; M417-F437 HydrophobicContact CB-CZ 4.45Å; M417-F437 HydrophobicContact CG-CB 4Å; M417-F437 HydrophobicContact CG-CD1 4.33Å; M417-F437 HydrophobicContact CG-CD2 3.9Å; M417-F437 HydrophobicContact CG-CE2 4.49Å; M417-F437 HydrophobicContact CG-CG 3.83Å; M417-F437 HydrophobicContact SD-CB 4.25Å
418	D	98.9	Very high	98.8	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.005	19%	0.194	C	C	.	.			trans	-109.6	146.6	-175.6	60.7	-22	0	0	0	115.2	A382 N383 S384 S475 K476 F477	A382-D418 VanDerWaalsContact CB-OD1 3.28Å; A382-D418 WeakPolarHBondContact CB-OD1 3.28Å; N383-D418 HydrophobicContact CB-CB 4.36Å; N383-D418 WeakPolarHBondContact CB-OD2 3.29Å; N383-D418 PolarHBondContact N-O 2.79Å; N383-D418 PolarHBondContact N-OD1 3.01Å; N383-D418 VanDerWaalsContact N-OD1 3.11Å; N383-D418 PolarHBondContact ND2-OD2 3.21Å; S384-D418 WeakPolarHBondContact CB-OD2 3.21Å; S384-D418 VanDerWaalsContact N-CG 3.32Å; S384-D418 PolarHBondContact N-OD1 3.31Å; S384-D418 PolarHBondContact N-OD2 3.34Å; S384-D418 PolarHBondContact OG-OD2 3.31Å; D418-S475 WeakPolarHBondContact CB-OG 3.28Å; D418-S475 VanDerWaalsContact CG-OG 3.25Å; D418-S475 WeakPolarHBondContact OD2-CB 3.3Å; D418-S475 PolarHBondContact OD2-OG 3.11Å; D418-K476 WeakPolarHBondContact CA-O 3.47Å; D418-F477 HydrophobicContact CB-CD1 4.27Å; D418-F477 HydrophobicContact CB-CD2 3.64Å; D418-F477 HydrophobicContact CB-CE1 4.22Å; D418-F477 HydrophobicContact CB-CE2 3.56Å; D418-F477 HydrophobicContact CB-CG 4Å; D418-F477 HydrophobicContact CB-CZ 3.86Å
419	Q	98.9	Very high	98.8	Very high	19 Å²	19	37.1 Å²	37.1	9%	0.089	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	153.5	166.7	-74.7	163.1	-63.8	0	0	110	L423 Y428 K476 K492	Q419-L423 HydrophobicContact CB-CD1 4.36Å; Q419-Y428 HydrophobicContact CB-CD1 4.16Å; Q419-Y428 HydrophobicContact CB-CE1 4.04Å; Q419-Y428 PolarHBondContact NE2-O 3.46Å; Q419-Y428 VanDerWaalsContact NE2-O 3.16Å; Q419-K476 HydrophobicContact CB-CB 4.05Å; Q419-K476 PolarHBondContact N-O 3.23Å; Q419-K476 PolarHBondContact O-N 2.94Å; Q419-K492 VanDerWaalsContact OE1-NZ 3.12Å
420	P	98.8	Very high	98.8	Very high	55 Å²	55	42.8 Å²	42.8	36%	0.357	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	166.8	177.4	31.2	-36.5	0	0	0	112.8	N383 L423 Y428	N383-P420 HydrophobicContact CB-CB 4.23Å; N383-P420 VanDerWaalsContact OD1-CA 3.27Å; N383-P420 WeakPolarHBondContact OD1-CA 3.38Å; N383-P420 WeakPolarHBondContact OD1-CB 3.41Å; P420-L423 HydrophobicContact CG-CD1 4.09Å; P420-L423 HydrophobicContact CG-CD2 4.29Å; P420-L423 HydrophobicContact CG-CG 4.24Å; P420-Y428 VanDerWaalsContact O-CE1 3.23Å; P420-Y428 WeakPolarHBondContact O-CE1 3.37Å; P420-Y428 PolarHBondContact O-OH 2.96Å
421	A	98.3	Very high	98.8	Very high	27 Å²	27	42.7 Å²	42.7	22%	0.223	21%	0.213	C	C	.	.	S	Bend	trans	-62.6	169.3	168.1	0	0	0	0	0	112.5	L423 Y428 T474	A421-L423 VanDerWaalsContact C-N 3.28Å; A421-L423 PolarHBondContact O-N 3.27Å; A421-Y428 VanDerWaalsContact C-OH 3.25Å; A421-Y428 WeakPolarHBondContact CA-OH 3.36Å; A421-T474 HydrophobicContact CB-CG2 4.37Å; A421-T474 PolarHBondContact N-O 2.98Å
422	N	97.9	Very high	98.7	Very high	163 Å²	163	47.4 Å²	47.4	87%	0.872	24%	0.242	S	C	*	.	S	Bend	trans	61.8	25.8	166.7	-51.4	-26.4	0	0	0	115.7	Y428	N422-Y428 PolarHBondContact N-OH 2.7Å
423	L	98.7	Very high	98.7	Very high	53 Å²	53	51 Å²	51	28%	0.277	26%	0.264	S	S	.	.			trans	-86.7	152.7	166.3	-53.9	-177.4	0	0	0	110	Q419 P420 A421 Q427 Y428	Q419-L423 HydrophobicContact CB-CD1 4.36Å; P420-L423 HydrophobicContact CG-CD1 4.09Å; P420-L423 HydrophobicContact CG-CD2 4.29Å; P420-L423 HydrophobicContact CG-CG 4.24Å; A421-L423 VanDerWaalsContact C-N 3.28Å; A421-L423 PolarHBondContact O-N 3.27Å; L423-Q427 HydrophobicContact CB-CB 3.89Å; L423-Q427 HydrophobicContact CD1-CB 4.47Å; L423-Y428 HydrophobicContact CB-CD1 4.17Å; L423-Y428 HydrophobicContact CB-CD2 4.03Å; L423-Y428 HydrophobicContact CB-CE1 3.86Å; L423-Y428 HydrophobicContact CB-CE2 3.74Å; L423-Y428 HydrophobicContact CB-CG 4.23Å; L423-Y428 HydrophobicContact CD1-CD1 4.04Å; L423-Y428 HydrophobicContact CD1-CE1 3.83Å; L423-Y428 HydrophobicContact CG-CE1 4.02Å; L423-Y428 PolarHBondContact N-OH 3.28Å; L423-Y428 WeakPolarHBondContact O-CE2 3.3Å
424	S	98.6	Very high	98.7	Very high	57 Å²	57	51 Å²	51	40%	0.399	26%	0.264	S	S	.	.			trans	-66.9	158.3	168	63.1	0	0	0	0	111.1	D426 Q427 Y428	S424-D426 VanDerWaalsContact C-N 3.28Å; S424-D426 PolarHBondContact O-N 3.36Å; S424-Q427 WeakPolarHBondContact O-CB 3.25Å; S424-Q427 PolarHBondContact O-N 3.43Å; S424-Q427 VanDerWaalsContact OG-CG 3.29Å; S424-Q427 WeakPolarHBondContact OG-CG 3.25Å; S424-Q427 PolarHBondContact OG-N 2.58Å; S424-Q427 PolarHBondContact OG-OE1 2.91Å; S424-Y428 WeakPolarHBondContact O-CD2 3.45Å; S424-Y428 PolarHBondContact O-N 3.29Å
425	R	98.7	Very high	98.7	Very high	122 Å²	122	51.4 Å²	51.4	46%	0.46	27%	0.267	S	S	.	.	H	α-helix	trans	-48.4	-51	174.6	-179.3	173.8	67	-164.6	-2.2	111.6	Q427 Y428 L429 Y481	R425-Q427 VanDerWaalsContact C-N 3.3Å; R425-Q427 PolarHBondContact O-N 2.78Å; R425-Y428 WeakPolarHBondContact O-CB 3.27Å; R425-Y428 PolarHBondContact O-N 2.92Å; R425-L429 HydrophobicContact CG-CD1 3.99Å; R425-L429 HydrophobicContact CG-CG 4.27Å; R425-L429 VanDerWaalsContact O-CG 3.29Å; R425-L429 WeakPolarHBondContact O-CG 3.12Å; R425-L429 PolarHBondContact O-N 2.82Å; R425-Y481 HydrophobicContact CB-CE1 4.18Å; R425-Y481 HydrophobicContact CG-CD1 4.01Å; R425-Y481 HydrophobicContact CG-CE1 3.7Å
426	D	98.7	Very high	98.7	Very high	71 Å²	71	55.7 Å²	55.7	38%	0.38	29%	0.287	S	S	.	.	H	α-helix	trans	-61.1	-35.5	-179.8	-82.6	19.4	0	0	0	113.6	S424 L429 R430	S424-D426 VanDerWaalsContact C-N 3.28Å; S424-D426 PolarHBondContact O-N 3.36Å; D426-L429 PolarHBondContact O-N 2.83Å; D426-R430 WeakPolarHBondContact O-CB 3.42Å; D426-R430 VanDerWaalsContact O-CG 3.29Å; D426-R430 WeakPolarHBondContact O-CG 3.33Å; D426-R430 PolarHBondContact O-N 3.38Å; D426-R430 VanDerWaalsContact O-N 3.09Å; D426-R430 IonicContact OD2-CZ 3.67Å; D426-R430 IonicContact OD2-NH2 3.63Å; D426-R430 PolarHBondContact OD2-NH2 2.67Å
427	Q	98.8	Very high	98.7	Very high	101 Å²	101	55.7 Å²	55.7	47%	0.472	29%	0.287	S	S	.	.	H	α-helix	trans	-68.6	-38.8	174.3	-74.8	168.3	-57.1	0	0	111.6	L423 S424 R425	L423-Q427 HydrophobicContact CB-CB 3.89Å; L423-Q427 HydrophobicContact CD1-CB 4.47Å; S424-Q427 WeakPolarHBondContact O-CB 3.25Å; S424-Q427 PolarHBondContact O-N 3.43Å; S424-Q427 VanDerWaalsContact OG-CG 3.29Å; S424-Q427 WeakPolarHBondContact OG-CG 3.25Å; S424-Q427 PolarHBondContact OG-N 2.58Å; S424-Q427 PolarHBondContact OG-OE1 2.91Å; R425-Q427 VanDerWaalsContact C-N 3.3Å; R425-Q427 PolarHBondContact O-N 2.78Å
428	Y	98.8	Very high	98.7	Very high	7 Å²	7	55.3 Å²	55.3	3%	0.027	29%	0.285	C	S	.	.	H	α-helix	trans	-62.3	-45.3	172.6	-77.2	-56.8	0	0	0	111.9	Q419 P420 A421 N422 L423 S424 R425 R430 K476 Y481 K492	Q419-Y428 HydrophobicContact CB-CD1 4.16Å; Q419-Y428 HydrophobicContact CB-CE1 4.04Å; Q419-Y428 PolarHBondContact NE2-O 3.46Å; Q419-Y428 VanDerWaalsContact NE2-O 3.16Å; P420-Y428 VanDerWaalsContact O-CE1 3.23Å; P420-Y428 WeakPolarHBondContact O-CE1 3.37Å; P420-Y428 PolarHBondContact O-OH 2.96Å; A421-Y428 VanDerWaalsContact C-OH 3.25Å; A421-Y428 WeakPolarHBondContact CA-OH 3.36Å; N422-Y428 PolarHBondContact N-OH 2.7Å; L423-Y428 HydrophobicContact CB-CD1 4.17Å; L423-Y428 HydrophobicContact CB-CD2 4.03Å; L423-Y428 HydrophobicContact CB-CE1 3.86Å; L423-Y428 HydrophobicContact CB-CE2 3.74Å; L423-Y428 HydrophobicContact CB-CG 4.23Å; L423-Y428 HydrophobicContact CD1-CD1 4.04Å; L423-Y428 HydrophobicContact CD1-CE1 3.83Å; L423-Y428 HydrophobicContact CG-CE1 4.02Å; L423-Y428 PolarHBondContact N-OH 3.28Å; L423-Y428 WeakPolarHBondContact O-CE2 3.3Å; S424-Y428 WeakPolarHBondContact O-CD2 3.45Å; S424-Y428 PolarHBondContact O-N 3.29Å; R425-Y428 WeakPolarHBondContact O-CB 3.27Å; R425-Y428 PolarHBondContact O-N 2.92Å; Y428-R430 VanDerWaalsContact C-N 3.32Å; Y428-R430 PolarHBondContact O-N 3.14Å; Y428-K476 HydrophobicContact CD1-CB 4.44Å; Y428-K476 HydrophobicContact CD1-CG 4.28Å; Y428-K476 HydrophobicContact CE1-CB 4.02Å; Y428-K476 HydrophobicContact CE1-CD 4.24Å; Y428-K476 HydrophobicContact CE1-CG 3.74Å; Y428-Y481 AromaticContact CD2-CD2 3.8Å; Y428-Y481 HydrophobicContact CD2-CD2 3.8Å; Y428-Y481 AromaticContact CD2-CE2 3.43Å; Y428-Y481 HydrophobicContact CD2-CE2 3.43Å; Y428-Y481 VanDerWaalsContact CD2-CE2 3.43Å; Y428-Y481 AromaticContact CE2-CE2 3.95Å; Y428-Y481 HydrophobicContact CE2-CE2 3.95Å; Y428-Y481 AromaticContact CG-CD2 3.87Å; Y428-Y481 HydrophobicContact CG-CD2 3.87Å; Y428-Y481 HydrophobicContact CG-CE2 4Å; Y428-K492 WeakPolarHBondContact O-CD 3.08Å
429	L	98.9	Very high	98.7	Very high	41 Å²	41	58.4 Å²	58.4	22%	0.215	30%	0.296	C	S	.	.	H	α-helix	trans	-65.9	-32	-178.2	-62.5	-179.6	0	0	0	113.1	R425 D426 D431 Y481 H490 K492 A493	R425-L429 HydrophobicContact CG-CD1 3.99Å; R425-L429 HydrophobicContact CG-CG 4.27Å; R425-L429 VanDerWaalsContact O-CG 3.29Å; R425-L429 WeakPolarHBondContact O-CG 3.12Å; R425-L429 PolarHBondContact O-N 2.82Å; D426-L429 PolarHBondContact O-N 2.83Å; L429-D431 PolarHBondContact O-N 3.35Å; L429-D431 VanDerWaalsContact O-N 3.12Å; L429-Y481 HydrophobicContact CD2-CD1 4.49Å; L429-H490 HydrophobicContact CD2-CB 3.7Å; L429-K492 HydrophobicContact CD2-CG 4.17Å; L429-A493 PolarHBondContact O-N 3.13Å
430	R	98.8	Very high	98.7	Very high	161 Å²	161	58.7 Å²	58.7	61%	0.608	30%	0.3	S	S	*	.			trans	-86.7	52.6	178	-64.3	174.2	-164.8	139.8	13.8	111.8	D426 Y428 T432	D426-R430 WeakPolarHBondContact O-CB 3.42Å; D426-R430 VanDerWaalsContact O-CG 3.29Å; D426-R430 WeakPolarHBondContact O-CG 3.33Å; D426-R430 PolarHBondContact O-N 3.38Å; D426-R430 VanDerWaalsContact O-N 3.09Å; D426-R430 IonicContact OD2-CZ 3.67Å; D426-R430 IonicContact OD2-NH2 3.63Å; D426-R430 PolarHBondContact OD2-NH2 2.67Å; Y428-R430 VanDerWaalsContact C-N 3.32Å; Y428-R430 PolarHBondContact O-N 3.14Å; R430-T432 PolarHBondContact O-N 3.02Å
431	D	98.8	Very high	98.7	Very high	4 Å²	4	56 Å²	56	2%	0.021	28%	0.283	C	S	.	.			trans	-78.6	54.7	-176.4	68.2	-20.1	0	0	0	114.3	L429 T433 R434 V435 K492 A493 S494	L429-D431 PolarHBondContact O-N 3.35Å; L429-D431 VanDerWaalsContact O-N 3.12Å; D431-T433 PolarHBondContact O-N 3.4Å; D431-R434 HydrophobicContact CB-CB 4.09Å; D431-R434 VanDerWaalsContact CB-NH1 3.34Å; D431-R434 WeakPolarHBondContact O-CA 3.43Å; D431-R434 WeakPolarHBondContact O-CB 3.32Å; D431-R434 PolarHBondContact O-N 3.4Å; D431-R434 WeakPolarHBondContact OD2-CD 3.47Å; D431-R434 IonicContact OD2-CZ 2.89Å; D431-R434 IonicContact OD2-NH1 3.8Å; D431-R434 PolarHBondContact OD2-NH1 3.45Å; D431-V435 PolarHBondContact O-N 3.25Å; D431-K492 HydrophobicContact CB-CD 4.34Å; D431-K492 WeakPolarHBondContact OD1-CB 3.4Å; D431-K492 WeakPolarHBondContact OD2-CB 3.33Å; D431-K492 WeakPolarHBondContact OD2-CD 3.45Å; D431-A493 WeakPolarHBondContact OD1-CB 3.15Å; D431-A493 PolarHBondContact OD1-N 2.91Å; D431-A493 VanDerWaalsContact OD1-N 3.12Å; D431-S494 PolarHBondContact OD1-N 3.27Å; D431-S494 WeakPolarHBondContact OD2-CB 3.23Å; D431-S494 PolarHBondContact OD2-OG 3.13Å
432	T	98.7	Very high	98.8	Very high	101 Å²	101	54.8 Å²	54.8	62%	0.62	27%	0.273	S	S	*	.	H	α-helix	trans	-57.3	-33.8	-176.8	57.8	0	0	0	0	113.5	R430 R434 V435 H436	R430-T432 PolarHBondContact O-N 3.02Å; T432-R434 VanDerWaalsContact C-N 3.34Å; T432-R434 PolarHBondContact O-N 3.28Å; T432-V435 PolarHBondContact O-N 2.76Å; T432-H436 PolarHBondContact O-N 2.82Å
433	T	98.8	Very high	98.8	Very high	76 Å²	76	49.7 Å²	49.7	47%	0.466	25%	0.248	S	C	.	.	H	α-helix	trans	-61.9	-40.3	173.2	-51.3	0	0	0	0	111.6	I389 M417 D431 H436 F437	I389-T433 HydrophobicContact CD1-CG2 3.8Å; M417-T433 HydrophobicContact CE-CG2 4.43Å; M417-T433 HydrophobicContact SD-CG2 3.74Å; D431-T433 PolarHBondContact O-N 3.4Å; T433-H436 PolarHBondContact O-N 2.86Å; T433-F437 WeakPolarHBondContact O-CB 3.45Å; T433-F437 PolarHBondContact O-N 3.41Å
434	R	98.9	Very high	98.8	Very high	1 Å²	1	49.5 Å²	49.5	0%	0.004	25%	0.246	C	C	.	.	H	α-helix	trans	-71.1	-37.3	177	-174.8	174	-61.8	103.1	-0.6	112	M417 D431 T432 H436 F437 Y438 K476	M417-R434 HydrophobicContact CG-CB 4.11Å; M417-R434 HydrophobicContact CG-CG 4.1Å; M417-R434 VanDerWaalsContact O-CZ 3.32Å; M417-R434 PolarHBondContact O-NE 3.39Å; M417-R434 PolarHBondContact O-NH2 3.1Å; M417-R434 HydrophobicContact SD-CB 4.07Å; D431-R434 HydrophobicContact CB-CB 4.09Å; D431-R434 VanDerWaalsContact CB-NH1 3.34Å; D431-R434 WeakPolarHBondContact O-CA 3.43Å; D431-R434 WeakPolarHBondContact O-CB 3.32Å; D431-R434 PolarHBondContact O-N 3.4Å; D431-R434 WeakPolarHBondContact OD2-CD 3.47Å; D431-R434 IonicContact OD2-CZ 2.89Å; D431-R434 IonicContact OD2-NH1 3.8Å; D431-R434 PolarHBondContact OD2-NH1 3.45Å; T432-R434 VanDerWaalsContact C-N 3.34Å; T432-R434 PolarHBondContact O-N 3.28Å; R434-H436 VanDerWaalsContact C-N 3.32Å; R434-H436 PolarHBondContact O-N 3.03Å; R434-F437 WeakPolarHBondContact O-CB 3.21Å; R434-F437 PolarHBondContact O-N 2.89Å; R434-Y438 HydrophobicContact CG-CD2 3.76Å; R434-Y438 HydrophobicContact CG-CE2 3.36Å; R434-Y438 VanDerWaalsContact O-CD2 3.31Å; R434-Y438 WeakPolarHBondContact O-CD2 3.21Å; R434-Y438 PolarHBondContact O-N 3.23Å; R434-K476 PolarHBondContact NH2-O 3.43Å
435	V	98.8	Very high	98.8	Very high	11 Å²	11	46.8 Å²	46.8	7%	0.067	23%	0.227	C	C	.	.	H	α-helix	trans	-57.9	-46.9	170.4	174.4	0	0	0	0	110.6	D431 T432 R439 A493 W497	D431-V435 PolarHBondContact O-N 3.25Å; T432-V435 PolarHBondContact O-N 2.76Å; V435-R439 WeakPolarHBondContact O-CB 3.35Å; V435-R439 PolarHBondContact O-N 3.47Å; V435-R439 VanDerWaalsContact O-N 3.1Å; V435-A493 HydrophobicContact CG2-CB 4.05Å; V435-W497 HydrophobicContact CG1-CB 4.32Å; V435-W497 HydrophobicContact CG1-CG 3.93Å; V435-W497 HydrophobicContact CG2-CB 4.38Å
436	H	98.8	Very high	98.8	Very high	91 Å²	91	43.4 Å²	43.4	42%	0.421	22%	0.215	S	C	.	.	H	α-helix	trans	-64.4	-41.2	176.6	178.1	-123.1	0	0	0	112.3	T432 T433 R434 S440	T432-H436 PolarHBondContact O-N 2.82Å; T433-H436 PolarHBondContact O-N 2.86Å; R434-H436 VanDerWaalsContact C-N 3.32Å; R434-H436 PolarHBondContact O-N 3.03Å; H436-S440 PolarHBondContact CD2-OG 3.03Å; H436-S440 PolarHBondContact NE2-OG 3.16Å; H436-S440 VanDerWaalsContact NE2-OG 3.16Å; H436-S440 VanDerWaalsContact O-CB 3.28Å; H436-S440 WeakPolarHBondContact O-CB 3.43Å; H436-S440 PolarHBondContact O-N 2.95Å; H436-S440 PolarHBondContact O-OG 3.1Å
437	F	98.9	Very high	98.9	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-53.7	-58	174.9	179.4	-82.9	0	0	0	110.7	L387 I389 N415 G416 M417 T433 R434 R439 S440 Y441	L387-F437 HydrophobicContact CD2-CE2 4.29Å; I389-F437 HydrophobicContact CB-CD2 4.45Å; I389-F437 HydrophobicContact CG1-CD2 4.12Å; I389-F437 HydrophobicContact CG2-CD2 3.85Å; N415-F437 WeakPolarHBondContact ND2-CZ 3.39Å; N415-F437 VanDerWaalsContact OD1-CE1 3.28Å; N415-F437 WeakPolarHBondContact OD1-CE1 3.4Å; G416-F437 WeakPolarHBondContact O-CZ 3.48Å; M417-F437 HydrophobicContact CB-CD2 3.86Å; M417-F437 HydrophobicContact CB-CE2 3.99Å; M417-F437 HydrophobicContact CB-CG 4.23Å; M417-F437 HydrophobicContact CB-CZ 4.45Å; M417-F437 HydrophobicContact CG-CB 4Å; M417-F437 HydrophobicContact CG-CD1 4.33Å; M417-F437 HydrophobicContact CG-CD2 3.9Å; M417-F437 HydrophobicContact CG-CE2 4.49Å; M417-F437 HydrophobicContact CG-CG 3.83Å; M417-F437 HydrophobicContact SD-CB 4.25Å; T433-F437 WeakPolarHBondContact O-CB 3.45Å; T433-F437 PolarHBondContact O-N 3.41Å; R434-F437 WeakPolarHBondContact O-CB 3.21Å; R434-F437 PolarHBondContact O-N 2.89Å; F437-R439 PolarHBondContact O-N 2.81Å; F437-S440 PolarHBondContact O-N 3.47Å; F437-Y441 HydrophobicContact CD1-CD2 4.17Å; F437-Y441 HydrophobicContact CD1-CG 4.5Å; F437-Y441 AromaticContact CD2-CD2 3.96Å; F437-Y441 HydrophobicContact CD2-CD2 3.96Å; F437-Y441 AromaticContact CD2-CE2 3.56Å; F437-Y441 HydrophobicContact CD2-CE2 3.56Å; F437-Y441 HydrophobicContact CE1-CD1 4.38Å; F437-Y441 HydrophobicContact CE1-CD2 4.1Å; F437-Y441 HydrophobicContact CE1-CE2 4.32Å; F437-Y441 HydrophobicContact CE1-CG 4.12Å; F437-Y441 AromaticContact CE2-CD2 3.88Å; F437-Y441 HydrophobicContact CE2-CD2 3.88Å; F437-Y441 HydrophobicContact CE2-CE1 4.09Å; F437-Y441 AromaticContact CE2-CE2 3.29Å; F437-Y441 HydrophobicContact CE2-CE2 3.29Å; F437-Y441 HydrophobicContact CE2-CG 4.49Å; F437-Y441 AromaticContact CE2-CZ 3.39Å; F437-Y441 HydrophobicContact CG-CD2 4.08Å; F437-Y441 HydrophobicContact CG-CE2 4.17Å; F437-Y441 HydrophobicContact CZ-CD1 4.06Å; F437-Y441 AromaticContact CZ-CD2 3.94Å; F437-Y441 HydrophobicContact CZ-CD2 3.94Å; F437-Y441 AromaticContact CZ-CE1 3.81Å; F437-Y441 HydrophobicContact CZ-CE1 3.81Å; F437-Y441 AromaticContact CZ-CE2 3.71Å; F437-Y441 HydrophobicContact CZ-CE2 3.71Å; F437-Y441 HydrophobicContact CZ-CG 4.11Å; F437-Y441 AromaticContact CZ-CZ 3.62Å; F437-Y441 VanDerWaalsContact O-CD2 3.28Å; F437-Y441 WeakPolarHBondContact O-CD2 3.41Å; F437-Y441 PolarHBondContact O-N 3.4Å
438	Y	98.9	Very high	98.9	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-62.4	-45.7	-177.2	-72.8	-52.1	0	0	0	112.6	N415 R434 S440 Y441 L442 Y458 A460 W461 I479 F498	N415-Y438 WeakPolarHBondContact O-CE1 3.37Å; R434-Y438 HydrophobicContact CG-CD2 3.76Å; R434-Y438 HydrophobicContact CG-CE2 3.36Å; R434-Y438 VanDerWaalsContact O-CD2 3.31Å; R434-Y438 WeakPolarHBondContact O-CD2 3.21Å; R434-Y438 PolarHBondContact O-N 3.23Å; Y438-S440 VanDerWaalsContact C-N 3.28Å; Y438-S440 PolarHBondContact O-N 2.9Å; Y438-Y441 PolarHBondContact O-N 2.97Å; Y438-L442 WeakPolarHBondContact O-CB 3.34Å; Y438-L442 WeakPolarHBondContact O-CG 3.36Å; Y438-L442 PolarHBondContact O-N 3.44Å; Y438-Y458 WeakPolarHBondContact CD1-OH 3.4Å; Y438-Y458 WeakPolarHBondContact CE1-OH 3.39Å; Y438-A460 HydrophobicContact CE1-CB 4.11Å; Y438-W461 PolarHBondContact OH-O 3.02Å; Y438-I479 HydrophobicContact CE2-CG2 3.63Å; Y438-F498 HydrophobicContact CD1-CE2 4.05Å; Y438-F498 AromaticContact CD1-CZ 3.7Å; Y438-F498 HydrophobicContact CD1-CZ 3.7Å; Y438-F498 HydrophobicContact CD2-CD2 4.39Å; Y438-F498 AromaticContact CD2-CE2 3.43Å; Y438-F498 HydrophobicContact CD2-CE2 3.43Å; Y438-F498 VanDerWaalsContact CD2-CE2 3.43Å; Y438-F498 AromaticContact CD2-CZ 3.89Å; Y438-F498 HydrophobicContact CD2-CZ 3.89Å; Y438-F498 HydrophobicContact CE1-CE2 4.1Å; Y438-F498 AromaticContact CE1-CZ 3.99Å; Y438-F498 HydrophobicContact CE1-CZ 3.99Å; Y438-F498 HydrophobicContact CE2-CD2 4.48Å; Y438-F498 AromaticContact CE2-CE2 3.49Å; Y438-F498 HydrophobicContact CE2-CE2 3.49Å; Y438-F498 VanDerWaalsContact CE2-CE2 3.49Å; Y438-F498 HydrophobicContact CE2-CZ 4.16Å; Y438-F498 AromaticContact CG-CE2 3.72Å; Y438-F498 HydrophobicContact CG-CE2 3.72Å; Y438-F498 AromaticContact CG-CZ 3.64Å; Y438-F498 HydrophobicContact CG-CZ 3.64Å; Y438-F498 AromaticContact CZ-CE2 3.84Å
439	R	98.8	Very high	98.9	Very high	65 Å²	65	39.9 Å²	39.9	25%	0.245	20%	0.196	C	C	.	.	H	α-helix	trans	-56.1	-45.1	176.9	-179.4	172.9	63.4	-124.4	0.1	111.5	W34 L38 V435 F437 T443 W497	W34-R439 WeakPolarHBondContact O-CD 3.49Å; W34-R439 PolarHBondContact O-NH1 3.34Å; L38-R439 HydrophobicContact CD1-CG 4.37Å; V435-R439 WeakPolarHBondContact O-CB 3.35Å; V435-R439 PolarHBondContact O-N 3.47Å; V435-R439 VanDerWaalsContact O-N 3.1Å; F437-R439 PolarHBondContact O-N 2.81Å; R439-T443 WeakPolarHBondContact O-CB 3.37Å; R439-T443 PolarHBondContact O-N 3.12Å; R439-T443 VanDerWaalsContact O-N 3.09Å; R439-T443 PolarHBondContact O-OG1 2.56Å; R439-W497 HydrophobicContact CB-CZ2 3.8Å; R439-W497 HydrophobicContact CG-CZ2 4.27Å
440	S	98.9	Very high	98.9	Very high	25 Å²	25	42.8 Å²	42.8	18%	0.175	21%	0.212	C	C	.	.	H	α-helix	trans	-71.8	-44.9	-177.3	-65.3	0	0	0	0	112.4	P391 H436 F437 Y438 T443 Q444	P391-S440 VanDerWaalsContact CG-CB 3.5Å; H436-S440 PolarHBondContact CD2-OG 3.03Å; H436-S440 PolarHBondContact NE2-OG 3.16Å; H436-S440 VanDerWaalsContact NE2-OG 3.16Å; H436-S440 VanDerWaalsContact O-CB 3.28Å; H436-S440 WeakPolarHBondContact O-CB 3.43Å; H436-S440 PolarHBondContact O-N 2.95Å; H436-S440 PolarHBondContact O-OG 3.1Å; F437-S440 PolarHBondContact O-N 3.47Å; Y438-S440 VanDerWaalsContact C-N 3.28Å; Y438-S440 PolarHBondContact O-N 2.9Å; S440-T443 PolarHBondContact O-N 3.25Å; S440-Q444 WeakPolarHBondContact O-CG 3.41Å; S440-Q444 PolarHBondContact O-N 2.87Å; S440-Q444 VanDerWaalsContact O-N 3.17Å
441	Y	98.9	Very high	98.9	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-67.6	-42.4	178.9	-84.7	-113.2	0	0	0	111.9	Y343 I389 V390 P391 M394 N415 F437 Y438 T443 Q444 L445	Y343-Y441 VanDerWaalsContact O-CE1 3.29Å; Y343-Y441 WeakPolarHBondContact O-CE1 3.1Å; Y343-Y441 VanDerWaalsContact O-CZ 3.31Å; Y343-Y441 PolarHBondContact O-OH 3.16Å; I389-Y441 HydrophobicContact CG2-CE2 4.19Å; V390-Y441 PolarHBondContact N-OH 3.21Å; P391-Y441 VanDerWaalsContact CA-CE2 3.43Å; P391-Y441 HydrophobicContact CB-CD2 3.71Å; P391-Y441 HydrophobicContact CB-CE2 3.91Å; P391-Y441 HydrophobicContact CB-CG 4.3Å; P391-Y441 HydrophobicContact CG-CD2 3.74Å; P391-Y441 HydrophobicContact CG-CE2 3.64Å; M394-Y441 HydrophobicContact CB-CD1 3.97Å; M394-Y441 HydrophobicContact CE-CD1 4.11Å; N415-Y441 WeakPolarHBondContact ND2-CD1 3.35Å; F437-Y441 HydrophobicContact CD1-CD2 4.17Å; F437-Y441 HydrophobicContact CD1-CG 4.5Å; F437-Y441 AromaticContact CD2-CD2 3.96Å; F437-Y441 HydrophobicContact CD2-CD2 3.96Å; F437-Y441 AromaticContact CD2-CE2 3.56Å; F437-Y441 HydrophobicContact CD2-CE2 3.56Å; F437-Y441 HydrophobicContact CE1-CD1 4.38Å; F437-Y441 HydrophobicContact CE1-CD2 4.1Å; F437-Y441 HydrophobicContact CE1-CE2 4.32Å; F437-Y441 HydrophobicContact CE1-CG 4.12Å; F437-Y441 AromaticContact CE2-CD2 3.88Å; F437-Y441 HydrophobicContact CE2-CD2 3.88Å; F437-Y441 HydrophobicContact CE2-CE1 4.09Å; F437-Y441 AromaticContact CE2-CE2 3.29Å; F437-Y441 HydrophobicContact CE2-CE2 3.29Å; F437-Y441 HydrophobicContact CE2-CG 4.49Å; F437-Y441 AromaticContact CE2-CZ 3.39Å; F437-Y441 HydrophobicContact CG-CD2 4.08Å; F437-Y441 HydrophobicContact CG-CE2 4.17Å; F437-Y441 HydrophobicContact CZ-CD1 4.06Å; F437-Y441 AromaticContact CZ-CD2 3.94Å; F437-Y441 HydrophobicContact CZ-CD2 3.94Å; F437-Y441 AromaticContact CZ-CE1 3.81Å; F437-Y441 HydrophobicContact CZ-CE1 3.81Å; F437-Y441 AromaticContact CZ-CE2 3.71Å; F437-Y441 HydrophobicContact CZ-CE2 3.71Å; F437-Y441 HydrophobicContact CZ-CG 4.11Å; F437-Y441 AromaticContact CZ-CZ 3.62Å; F437-Y441 VanDerWaalsContact O-CD2 3.28Å; F437-Y441 WeakPolarHBondContact O-CD2 3.41Å; F437-Y441 PolarHBondContact O-N 3.4Å; Y438-Y441 PolarHBondContact O-N 2.97Å; Y441-T443 VanDerWaalsContact C-N 3.3Å; Y441-T443 PolarHBondContact O-N 3.31Å; Y441-Q444 PolarHBondContact O-N 2.8Å; Y441-Q444 VanDerWaalsContact O-N 3.11Å; Y441-L445 PolarHBondContact O-N 3.35Å
442	L	98.9	Very high	98.9	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-66.9	-31	176.6	-75.1	167	0	0	0	112.6	L38 F43 F49 Y438 Q444 L445 K446 Y458 W497 F498 M501	L38-L442 HydrophobicContact CD1-CB 3.73Å; F43-L442 HydrophobicContact CZ-CB 4.35Å; F43-L442 HydrophobicContact CZ-CD2 4.16Å; F49-L442 HydrophobicContact CE1-CD2 4.14Å; Y438-L442 WeakPolarHBondContact O-CB 3.34Å; Y438-L442 WeakPolarHBondContact O-CG 3.36Å; Y438-L442 PolarHBondContact O-N 3.44Å; L442-Q444 VanDerWaalsContact C-N 3.34Å; L442-L445 HydrophobicContact CD2-CD2 4.23Å; L442-L445 PolarHBondContact O-N 2.85Å; L442-K446 VanDerWaalsContact O-CB 3.29Å; L442-K446 WeakPolarHBondContact O-CB 3.28Å; L442-K446 PolarHBondContact O-N 3.06Å; L442-Y458 HydrophobicContact CD2-CD1 3.98Å; L442-Y458 HydrophobicContact CD2-CD2 3.71Å; L442-Y458 HydrophobicContact CD2-CE1 4.07Å; L442-Y458 HydrophobicContact CD2-CE2 3.77Å; L442-Y458 HydrophobicContact CD2-CG 3.81Å; L442-Y458 HydrophobicContact CG-CE2 4.37Å; L442-W497 HydrophobicContact CD1-CH2 3.7Å; L442-W497 HydrophobicContact CD1-CZ3 3.74Å; L442-F498 HydrophobicContact CD1-CE1 3.96Å; L442-F498 HydrophobicContact CD1-CZ 4.4Å; L442-M501 HydrophobicContact CD1-CE 3.96Å
443	T	98.9	Very high	98.9	Very high	57 Å²	57	36.2 Å²	36.2	35%	0.35	19%	0.191	S	C	.	.	H	α-helix	trans	-64	-40.7	170.7	-60.7	0	0	0	0	111.3	R439 S440 Y441 K446 K447	R439-T443 WeakPolarHBondContact O-CB 3.37Å; R439-T443 PolarHBondContact O-N 3.12Å; R439-T443 VanDerWaalsContact O-N 3.09Å; R439-T443 PolarHBondContact O-OG1 2.56Å; S440-T443 PolarHBondContact O-N 3.25Å; Y441-T443 VanDerWaalsContact C-N 3.3Å; Y441-T443 PolarHBondContact O-N 3.31Å; T443-K446 PolarHBondContact O-N 2.98Å; T443-K447 PolarHBondContact O-N 3.49Å
444	Q	98.9	Very high	98.9	Very high	49 Å²	49	35.9 Å²	35.9	23%	0.229	19%	0.186	C	C	.	.	H	α-helix	trans	-72.2	-36	177.5	-66.5	-64.7	-41	0	0	112.5	P391 M394 S440 Y441 L442 K447 A448	P391-Q444 HydrophobicContact CB-CG 3.96Å; P391-Q444 WeakPolarHBondContact O-CB 3.44Å; P391-Q444 WeakPolarHBondContact O-CG 3.29Å; M394-Q444 HydrophobicContact CB-CB 4.28Å; S440-Q444 WeakPolarHBondContact O-CG 3.41Å; S440-Q444 PolarHBondContact O-N 2.87Å; S440-Q444 VanDerWaalsContact O-N 3.17Å; Y441-Q444 PolarHBondContact O-N 2.8Å; Y441-Q444 VanDerWaalsContact O-N 3.11Å; L442-Q444 VanDerWaalsContact C-N 3.34Å; Q444-K447 WeakPolarHBondContact O-CB 3.39Å; Q444-K447 PolarHBondContact O-N 2.9Å; Q444-A448 PolarHBondContact O-N 2.86Å; Q444-A448 VanDerWaalsContact O-N 3.16Å
445	L	98.9	Very high	98.9	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-62.4	-47.4	171.1	-178	60	0	0	0	111	F47 M394 V398 I412 Y441 L442 K447 A448 I449 V455 Y458	F47-L445 HydrophobicContact CZ-CD2 4.27Å; M394-L445 HydrophobicContact CG-CB 3.86Å; M394-L445 HydrophobicContact CG-CD1 4.34Å; M394-L445 HydrophobicContact SD-CB 4.47Å; M394-L445 HydrophobicContact SD-CD1 4.11Å; V398-L445 HydrophobicContact CG2-CD1 3.76Å; I412-L445 HydrophobicContact CD1-CD1 4.4Å; I412-L445 HydrophobicContact CG1-CD1 3.94Å; I412-L445 HydrophobicContact CG1-CD2 3.99Å; Y441-L445 PolarHBondContact O-N 3.35Å; L442-L445 HydrophobicContact CD2-CD2 4.23Å; L442-L445 PolarHBondContact O-N 2.85Å; L445-K447 VanDerWaalsContact C-N 3.3Å; L445-K447 PolarHBondContact O-N 2.82Å; L445-A448 PolarHBondContact O-N 2.8Å; L445-A448 VanDerWaalsContact O-N 3.15Å; L445-I449 HydrophobicContact CD1-CD1 4.27Å; L445-I449 HydrophobicContact CG-CD1 3.88Å; L445-I449 WeakPolarHBondContact O-CG1 3.49Å; L445-I449 PolarHBondContact O-N 2.82Å; L445-V455 HydrophobicContact CD1-CG1 4.24Å; L445-V455 HydrophobicContact CD1-CG2 4.15Å; L445-Y458 HydrophobicContact CD2-CD2 3.71Å; L445-Y458 HydrophobicContact CD2-CG 4.36Å
446	K	98.9	Very high	98.9	Very high	50 Å²	50	37.5 Å²	37.5	22%	0.217	20%	0.201	C	C	.	.	H	α-helix	trans	-55.2	-46.4	175.1	171.7	169.3	173.1	49.9	0	111.2	L38 A42 F43 L442 T443 A448 I449 D450	L38-K446 HydrophobicContact CD2-CD 4.25Å; A42-K446 HydrophobicContact CB-CD 3.9Å; A42-K446 WeakPolarHBondContact O-CD 3.35Å; A42-K446 WeakPolarHBondContact O-CE 3.26Å; A42-K446 PolarHBondContact O-NZ 3.39Å; F43-K446 HydrophobicContact CE1-CB 4.19Å; F43-K446 HydrophobicContact CZ-CB 4.2Å; L442-K446 VanDerWaalsContact O-CB 3.29Å; L442-K446 WeakPolarHBondContact O-CB 3.28Å; L442-K446 PolarHBondContact O-N 3.06Å; T443-K446 PolarHBondContact O-N 2.98Å; K446-A448 VanDerWaalsContact C-N 3.33Å; K446-A448 PolarHBondContact O-N 3.28Å; K446-I449 PolarHBondContact O-N 2.89Å; K446-I449 VanDerWaalsContact O-N 3.12Å; K446-D450 VanDerWaalsContact CE-OD2 3.26Å; K446-D450 WeakPolarHBondContact CE-OD2 3.3Å; K446-D450 WeakPolarHBondContact CG-OD2 3.37Å; K446-D450 IonicContact NZ-OD1 2.81Å; K446-D450 PolarHBondContact NZ-OD1 3.05Å; K446-D450 IonicContact NZ-OD2 2.69Å; K446-D450 PolarHBondContact NZ-OD2 2.79Å; K446-D450 WeakPolarHBondContact O-CB 3.28Å; K446-D450 VanDerWaalsContact O-CG 3.28Å; K446-D450 PolarHBondContact O-N 2.77Å
447	K	98.9	Very high	98.9	Very high	88 Å²	88	33.2 Å²	33.2	38%	0.383	18%	0.181	S	C	.	.	H	α-helix	trans	-53.6	-49.6	176	179.5	-175.4	171.8	-171.8	0	111.7	Y395 T443 Q444 L445 I449 D450 E451	Y395-K447 HydrophobicContact CD2-CB 4.25Å; Y395-K447 HydrophobicContact CD2-CD 3.73Å; Y395-K447 HydrophobicContact CD2-CG 3.85Å; Y395-K447 HydrophobicContact CE2-CD 3.85Å; Y395-K447 HydrophobicContact CE2-CG 3.92Å; Y395-K447 HydrophobicContact CG-CD 4.43Å; T443-K447 PolarHBondContact O-N 3.49Å; Q444-K447 WeakPolarHBondContact O-CB 3.39Å; Q444-K447 PolarHBondContact O-N 2.9Å; L445-K447 VanDerWaalsContact C-N 3.3Å; L445-K447 PolarHBondContact O-N 2.82Å; K447-I449 VanDerWaalsContact C-N 3.31Å; K447-I449 PolarHBondContact O-N 2.74Å; K447-D450 PolarHBondContact O-N 2.99Å; K447-E451 WeakPolarHBondContact CE-OE1 3.23Å; K447-E451 WeakPolarHBondContact CG-OE1 3.47Å; K447-E451 WeakPolarHBondContact O-CG 3.35Å; K447-E451 PolarHBondContact O-N 3.05Å
448	A	98.9	Very high	98.9	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.008	18%	0.181	C	C	.	.	H	α-helix	trans	-63.3	-36.5	179.1	0	0	0	0	0	112.7	Y395 V398 Q444 L445 K446 E451 G452 A453	Y395-A448 HydrophobicContact CD2-CB 3.89Å; Y395-A448 HydrophobicContact CE2-CB 4.43Å; V398-A448 HydrophobicContact CB-CB 3.9Å; V398-A448 HydrophobicContact CG1-CB 3.57Å; Q444-A448 PolarHBondContact O-N 2.86Å; Q444-A448 VanDerWaalsContact O-N 3.16Å; L445-A448 PolarHBondContact O-N 2.8Å; L445-A448 VanDerWaalsContact O-N 3.15Å; K446-A448 VanDerWaalsContact C-N 3.33Å; K446-A448 PolarHBondContact O-N 3.28Å; A448-E451 CarbonylContact O-C 3.56Å; A448-E451 PolarHBondContact O-N 2.97Å; A448-G452 PolarHBondContact O-N 3.39Å; A448-A453 HydrophobicContact CB-CB 4.36Å; A448-A453 WeakPolarHBondContact O-CB 3.4Å; A448-A453 PolarHBondContact O-N 3.12Å
449	I	98.9	Very high	98.9	Very high	16 Å²	16	33.2 Å²	33.2	8%	0.082	18%	0.181	C	C	.	.	H	α-helix	trans	-68	-44.6	176.3	-66.9	167.3	0	0	0	111.4	F43 P44 F47 L445 K446 K447 E451 G452 V455	F43-I449 HydrophobicContact CD1-CD1 4Å; F43-I449 HydrophobicContact CE1-CD1 4.22Å; P44-I449 HydrophobicContact CG-CG2 3.55Å; F47-I449 HydrophobicContact CD2-CD1 4.38Å; F47-I449 HydrophobicContact CE2-CD1 3.61Å; F47-I449 HydrophobicContact CZ-CD1 4.13Å; L445-I449 HydrophobicContact CD1-CD1 4.27Å; L445-I449 HydrophobicContact CG-CD1 3.88Å; L445-I449 WeakPolarHBondContact O-CG1 3.49Å; L445-I449 PolarHBondContact O-N 2.82Å; K446-I449 PolarHBondContact O-N 2.89Å; K446-I449 VanDerWaalsContact O-N 3.12Å; K447-I449 VanDerWaalsContact C-N 3.31Å; K447-I449 PolarHBondContact O-N 2.74Å; I449-E451 PolarHBondContact O-N 3.48Å; I449-G452 VanDerWaalsContact O-CA 3.31Å; I449-G452 WeakPolarHBondContact O-CA 3.46Å; I449-G452 PolarHBondContact O-N 2.56Å; I449-V455 HydrophobicContact CD1-CB 3.97Å; I449-V455 HydrophobicContact CD1-CG1 4.47Å; I449-V455 HydrophobicContact CD1-CG2 4.48Å; I449-V455 HydrophobicContact CG1-CB 3.87Å; I449-V455 HydrophobicContact CG1-CG2 3.97Å
450	D	98.8	Very high	98.9	Very high	103 Å²	103	30.1 Å²	30.1	55%	0.551	17%	0.17	S	C	*	.	H	α-helix	trans	-63	-29.3	177.5	-67.6	-17.9	0	0	0	111.1	K446 K447 G452	K446-D450 VanDerWaalsContact CE-OD2 3.26Å; K446-D450 WeakPolarHBondContact CE-OD2 3.3Å; K446-D450 WeakPolarHBondContact CG-OD2 3.37Å; K446-D450 IonicContact NZ-OD1 2.81Å; K446-D450 PolarHBondContact NZ-OD1 3.05Å; K446-D450 IonicContact NZ-OD2 2.69Å; K446-D450 PolarHBondContact NZ-OD2 2.79Å; K446-D450 WeakPolarHBondContact O-CB 3.28Å; K446-D450 VanDerWaalsContact O-CG 3.28Å; K446-D450 PolarHBondContact O-N 2.77Å; K447-D450 PolarHBondContact O-N 2.99Å; D450-G452 PolarHBondContact O-N 2.87Å
451	E	98.9	Very high	98.9	Very high	86 Å²	86	29.1 Å²	29.1	40%	0.402	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	9.4	170.6	-66.1	175.6	-158.3	0	0	113.2	Y395 K402 K447 A448 I449	Y395-E451 VanDerWaalsContact CE2-OE2 3.29Å; Y395-E451 WeakPolarHBondContact CE2-OE2 3.46Å; Y395-E451 PolarHBondContact OH-OE2 3.28Å; K402-E451 VanDerWaalsContact CE-O 3.31Å; K402-E451 WeakPolarHBondContact CE-O 3.33Å; K402-E451 PolarHBondContact NZ-O 3.07Å; K447-E451 WeakPolarHBondContact CE-OE1 3.23Å; K447-E451 WeakPolarHBondContact CG-OE1 3.47Å; K447-E451 WeakPolarHBondContact O-CG 3.35Å; K447-E451 PolarHBondContact O-N 3.05Å; A448-E451 CarbonylContact O-C 3.56Å; A448-E451 PolarHBondContact O-N 2.97Å; I449-E451 PolarHBondContact O-N 3.48Å
452	G	98.8	Very high	98.9	Very high	34 Å²	34	29.1 Å²	29.1	35%	0.351	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	90	20.8	168.4	0	0	0	0	0	115.7	K402 N407 A448 I449 D450	K402-G452 PolarHBondContact NZ-O 3.19Å; N407-G452 PolarHBondContact ND2-O 2.98Å; A448-G452 PolarHBondContact O-N 3.39Å; I449-G452 VanDerWaalsContact O-CA 3.31Å; I449-G452 WeakPolarHBondContact O-CA 3.46Å; I449-G452 PolarHBondContact O-N 2.56Å; D450-G452 PolarHBondContact O-N 2.87Å
453	A	98.9	Very high	98.9	Very high	8 Å²	8	29.1 Å²	29.1	7%	0.066	16%	0.162	C	C	.	.			trans	-69.1	134.5	170.3	0	0	0	0	0	110.8	V398 K402 A448 V455	V398-A453 HydrophobicContact CG1-CB 3.46Å; V398-A453 VanDerWaalsContact CG1-CB 3.46Å; K402-A453 HydrophobicContact CB-CB 4.22Å; K402-A453 HydrophobicContact CD-CB 4.1Å; K402-A453 HydrophobicContact CG-CB 4.48Å; A448-A453 HydrophobicContact CB-CB 4.36Å; A448-A453 WeakPolarHBondContact O-CB 3.4Å; A448-A453 PolarHBondContact O-N 3.12Å; A453-V455 VanDerWaalsContact C-N 3.29Å; A453-V455 HydrophobicContact CB-CG2 4.22Å; A453-V455 PolarHBondContact O-N 2.98Å
454	N	98.9	Very high	98.9	Very high	68 Å²	68	26.4 Å²	26.4	36%	0.364	15%	0.145	S	C	.	.			trans	-82.3	68.9	-178.1	-175.9	16.9	0	0	0	111.8	N407 T409 V410	N407-N454 WeakPolarHBondContact OD1-CB 3.28Å; N407-N454 PolarHBondContact OD1-N 2.74Å; T409-N454 WeakPolarHBondContact CA-ND2 3.47Å; T409-N454 PolarHBondContact OG1-ND2 2.95Å; T409-N454 VanDerWaalsContact OG1-ND2 3.12Å; V410-N454 PolarHBondContact N-O 3.35Å
455	V	98.9	Very high	98.9	Very high	7 Å²	7	24 Å²	24	4%	0.042	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	122.7	176.1	-170.5	0	0	0	0	110.1	F47 V398 V410 I412 L445 I449 A453	F47-V455 WeakPolarHBondContact CD2-O 3.49Å; F47-V455 HydrophobicContact CE2-CB 4.21Å; F47-V455 HydrophobicContact CE2-CG1 3.9Å; F47-V455 VanDerWaalsContact CE2-O 3.31Å; F47-V455 WeakPolarHBondContact CE2-O 3.21Å; F47-V455 HydrophobicContact CZ-CG1 4.16Å; V398-V455 HydrophobicContact CG1-CG2 3.62Å; V410-V455 HydrophobicContact CB-CG2 4.41Å; V410-V455 CarbonylContact O-C 3.56Å; V410-V455 WeakPolarHBondContact O-CA 3.42Å; I412-V455 HydrophobicContact CG1-CG1 4.26Å; L445-V455 HydrophobicContact CD1-CG1 4.24Å; L445-V455 HydrophobicContact CD1-CG2 4.15Å; I449-V455 HydrophobicContact CD1-CB 3.97Å; I449-V455 HydrophobicContact CD1-CG1 4.47Å; I449-V455 HydrophobicContact CD1-CG2 4.48Å; I449-V455 HydrophobicContact CG1-CB 3.87Å; I449-V455 HydrophobicContact CG1-CG2 3.97Å; A453-V455 VanDerWaalsContact C-N 3.29Å; A453-V455 HydrophobicContact CB-CG2 4.22Å; A453-V455 PolarHBondContact O-N 2.98Å
456	A	98.9	Very high	98.9	Very high	40 Å²	40	24.1 Å²	24.1	33%	0.331	14%	0.135	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	-17.5	-174.8	0	0	0	0	0	114.4	V48 T409 V410 V411	V48-A456 PolarHBondContact N-O 3.46Å; V48-A456 VanDerWaalsContact N-O 3.14Å; T409-A456 HydrophobicContact CG2-CB 3.88Å; V410-A456 PolarHBondContact O-N 2.64Å; V411-A456 HydrophobicContact CG2-CB 4.39Å
457	G	98.8	Very high	98.9	Very high	1 Å²	1	21.8 Å²	21.8	1%	0.01	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-172.2	171.5	179.5	0	0	0	0	0	114.6	F47 V48 I412	F47-G457 VanDerWaalsContact CZ-C 3.47Å; V48-G457 CarbonylContact O-C 2.98Å; V48-G457 WeakPolarHBondContact O-CA 3.4Å; I412-G457 PolarHBondContact N-O 2.82Å
458	Y	99	Very high	98.9	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	133.5	-178.3	174.1	-83.8	0	0	0	111.2	V48 F49 G50 M394 I412 N415 Y438 L442 L445 A460 F498	V48-Y458 PolarHBondContact O-N 3.37Å; F49-Y458 CarbonylContact C-O 3.27Å; F49-Y458 WeakPolarHBondContact CA-O 3.48Å; F49-Y458 HydrophobicContact CD1-CD1 4.09Å; F49-Y458 HydrophobicContact CE1-CD1 4.39Å; G50-Y458 PolarHBondContact N-O 2.67Å; M394-Y458 HydrophobicContact CE-CE2 4.49Å; I412-Y458 HydrophobicContact CB-CD2 3.85Å; I412-Y458 HydrophobicContact CG1-CD2 4.43Å; I412-Y458 HydrophobicContact CG2-CD2 3.66Å; I412-Y458 HydrophobicContact CG2-CE2 3.95Å; I412-Y458 CarbonylContact O-C 3.59Å; I412-Y458 WeakPolarHBondContact O-CA 3.47Å; N415-Y458 HydrophobicContact CB-CE2 3.7Å; N415-Y458 WeakPolarHBondContact CB-OH 3.44Å; N415-Y458 PolarHBondContact OD1-OH 2.94Å; Y438-Y458 WeakPolarHBondContact CD1-OH 3.4Å; Y438-Y458 WeakPolarHBondContact CE1-OH 3.39Å; L442-Y458 HydrophobicContact CD2-CD1 3.98Å; L442-Y458 HydrophobicContact CD2-CD2 3.71Å; L442-Y458 HydrophobicContact CD2-CE1 4.07Å; L442-Y458 HydrophobicContact CD2-CE2 3.77Å; L442-Y458 HydrophobicContact CD2-CG 3.81Å; L442-Y458 HydrophobicContact CG-CE2 4.37Å; L445-Y458 HydrophobicContact CD2-CD2 3.71Å; L445-Y458 HydrophobicContact CD2-CG 4.36Å; Y458-A460 HydrophobicContact CE1-CB 4.17Å; Y458-F498 HydrophobicContact CE1-CE1 4.26Å; Y458-F498 HydrophobicContact CE1-CZ 4.1Å
459	F	99	Very high	98.9	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	122	179.5	-69.1	-100.9	0	0	0	110.8	V48 G50 A52 A112 R114 Y153 V411 I412 T413 E414 N415	V48-F459 HydrophobicContact CG1-CE2 4.4Å; V48-F459 HydrophobicContact CG1-CZ 4.09Å; G50-F459 VanDerWaalsContact O-CA 3.28Å; G50-F459 WeakPolarHBondContact O-CA 3.13Å; A52-F459 HydrophobicContact CB-CB 4.35Å; A112-F459 HydrophobicContact CB-CE1 3.63Å; A112-F459 HydrophobicContact CB-CZ 3.67Å; R114-F459 HydrophobicContact CB-CD1 3.58Å; R114-F459 HydrophobicContact CB-CE1 3.8Å; R114-F459 HydrophobicContact CB-CG 4.28Å; Y153-F459 HydrophobicContact CD1-CE2 4.27Å; Y153-F459 AromaticContact CD1-CZ 3.91Å; Y153-F459 HydrophobicContact CD1-CZ 3.91Å; Y153-F459 HydrophobicContact CD2-CE1 4.34Å; Y153-F459 AromaticContact CD2-CZ 3.73Å; Y153-F459 HydrophobicContact CD2-CZ 3.73Å; Y153-F459 HydrophobicContact CE1-CE2 4.35Å; Y153-F459 HydrophobicContact CE1-CZ 4.18Å; Y153-F459 HydrophobicContact CE2-CZ 4.02Å; Y153-F459 HydrophobicContact CG-CE1 4.28Å; Y153-F459 HydrophobicContact CG-CE2 4.47Å; Y153-F459 AromaticContact CG-CZ 3.67Å; Y153-F459 HydrophobicContact CG-CZ 3.67Å; V411-F459 HydrophobicContact CG1-CD2 3.73Å; V411-F459 HydrophobicContact CG1-CE2 3.6Å; I412-F459 PolarHBondContact O-N 3.11Å; T413-F459 VanDerWaalsContact O-CB 3.31Å; T413-F459 WeakPolarHBondContact O-CB 3.44Å; E414-F459 CarbonylContact C-O 3.56Å; E414-F459 WeakPolarHBondContact CA-O 3.47Å; N415-F459 PolarHBondContact N-O 2.94Å
460	A	99	Very high	98.9	Very high	0 Å²	0	22 Å²	22	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	125.5	176.6	0	0	0	0	0	110.9	G50 T51 A52 Y438 Y458 F498	G50-A460 PolarHBondContact O-N 2.98Å; T51-A460 WeakPolarHBondContact CA-O 3.42Å; A52-A460 PolarHBondContact N-O 3.08Å; Y438-A460 HydrophobicContact CE1-CB 4.11Å; Y458-A460 HydrophobicContact CE1-CB 4.17Å; A460-F498 HydrophobicContact CB-CE2 4.07Å; A460-F498 HydrophobicContact CB-CZ 4.02Å
461	W	98.9	Very high	98.9	Very high	3 Å²	3	19 Å²	19	1%	0.011	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	110.1	167.2	-172.7	-99.2	0	0	0	109.4	A52 Y343 E414 N415 G416 Y438 F477	A52-W461 HydrophobicContact CB-CE3 3.72Å; A52-W461 HydrophobicContact CB-CZ3 4.16Å; Y343-W461 HydrophobicContact CE1-CB 4.34Å; Y343-W461 VanDerWaalsContact OH-CB 3.31Å; Y343-W461 WeakPolarHBondContact OH-CB 3.4Å; E414-W461 HydrophobicContact CB-CB 3.83Å; E414-W461 HydrophobicContact CB-CG 4.48Å; E414-W461 VanDerWaalsContact CD-CE3 3.44Å; E414-W461 HydrophobicContact CG-CB 4.06Å; E414-W461 HydrophobicContact CG-CD2 4.19Å; E414-W461 HydrophobicContact CG-CE3 3.7Å; E414-W461 HydrophobicContact CG-CG 4.37Å; E414-W461 HydrophobicContact CG-CZ3 4.46Å; N415-W461 PolarHBondContact O-N 3.24Å; G416-W461 WeakPolarHBondContact CA-O 3.49Å; Y438-W461 PolarHBondContact OH-O 3.02Å; W461-F477 AromaticContact CD1-CD1 3.56Å; W461-F477 AromaticContact CD1-CG 3.7Å; W461-F477 AromaticContact NE1-CG 3.93Å
462	S	98.9	Very high	98.9	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	10%	0.095	C	C	.	.			cis	-128.1	169.8	4.3	55.3	0	0	0	0	111.5	A52 L464 N466 F477 G478 I479	A52-S462 WeakPolarHBondContact O-CA 3.4Å; A52-S462 WeakPolarHBondContact O-CB 3.38Å; S462-L464 WeakPolarHBondContact CB-O 3.34Å; S462-L464 PolarHBondContact OG-O 3.07Å; S462-N466 PolarHBondContact OG-ND2 2.95Å; S462-F477 PolarHBondContact N-O 3.34Å; S462-G478 WeakPolarHBondContact O-CA 3.28Å; S462-G478 VanDerWaalsContact OG-CA 3.3Å; S462-G478 WeakPolarHBondContact OG-CA 3.29Å; S462-G478 PolarHBondContact OG-N 3.09Å; S462-I479 PolarHBondContact O-N 2.88Å
463	L	98.9	Very high	98.9	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.084	C	C	.	.	S	Bend	trans	-57.9	-53.6	166.1	177.9	61.1	0	0	0	110.4	T51 A52 T53 D101 M105 Y113 I479 V480	T51-L463 HydrophobicContact CG2-CB 4.42Å; T51-L463 HydrophobicContact CG2-CD1 4.1Å; A52-L463 PolarHBondContact O-N 2.87Å; T53-L463 HydrophobicContact CG2-CB 4Å; D101-L463 HydrophobicContact CB-CD2 4.17Å; M105-L463 HydrophobicContact CB-CD1 4.32Å; M105-L463 HydrophobicContact CE-CD2 3.64Å; Y113-L463 HydrophobicContact CE2-CD2 4.21Å; L463-I479 PolarHBondContact O-N 3.39Å; L463-V480 HydrophobicContact CD1-CG2 4.27Å; L463-V480 VanDerWaalsContact O-CB 3.25Å; L463-V480 WeakPolarHBondContact O-CB 3.47Å; L463-V480 WeakPolarHBondContact O-CG2 3.48Å; L463-V480 PolarHBondContact O-N 3.27Å
464	L	98.9	Very high	98.8	Very high	0 Å²	0	17 Å²	17	0%	0	10%	0.097	C	C	.	.	B	Isolated β-bridge	trans	-118.4	146.5	-172.4	-56.3	179.7	0	0	0	110.8	T92 D101 S462 N466 G478 V480 V482 R489	T92-L464 HydrophobicContact CG2-CB 4.37Å; T92-L464 HydrophobicContact CG2-CD1 4.17Å; D101-L464 WeakPolarHBondContact OD2-CD1 3.5Å; S462-L464 WeakPolarHBondContact CB-O 3.34Å; S462-L464 PolarHBondContact OG-O 3.07Å; L464-N466 PolarHBondContact O-N 2.89Å; L464-N466 PolarHBondContact O-ND2 2.87Å; L464-G478 VanDerWaalsContact C-CA 3.43Å; L464-V480 HydrophobicContact CD2-CB 3.86Å; L464-V480 HydrophobicContact CD2-CG1 3.9Å; L464-V482 HydrophobicContact CB-CG2 3.9Å; L464-V482 HydrophobicContact CD2-CG2 4.21Å; L464-V482 HydrophobicContact CG-CG2 4.44Å; L464-R489 HydrophobicContact CD2-CG 3.88Å
465	D	98.9	Very high	98.8	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	8%	0.08	C	C	.	.			trans	-54.3	135.2	156.4	-69.2	-30.8	0	0	0	108.4	T92 K476 F477 G478 V480 Y481 V482 F484 K492	T92-D465 WeakPolarHBondContact CG2-O 3.42Å; D465-K476 HydrophobicContact CB-CG 3.97Å; D465-K476 VanDerWaalsContact OD1-CA 3.29Å; D465-K476 WeakPolarHBondContact OD1-CA 3.38Å; D465-K476 VanDerWaalsContact OD1-CB 3.28Å; D465-K476 WeakPolarHBondContact OD1-CB 3.31Å; D465-K476 WeakPolarHBondContact OD2-CG 3.36Å; D465-F477 PolarHBondContact OD1-N 3.1Å; D465-G478 WeakPolarHBondContact OD1-CA 3.39Å; D465-G478 PolarHBondContact OD1-N 3.42Å; D465-V480 PolarHBondContact N-O 2.92Å; D465-V480 VanDerWaalsContact N-O 3.09Å; D465-Y481 WeakPolarHBondContact OD2-CA 3.38Å; D465-V482 HydrophobicContact CB-CB 4.24Å; D465-V482 HydrophobicContact CB-CG2 4.4Å; D465-V482 WeakPolarHBondContact O-CG2 3.47Å; D465-F484 HydrophobicContact CB-CE2 4.13Å; D465-F484 HydrophobicContact CB-CZ 4.21Å; D465-K492 IonicContact OD1-NZ 2.75Å; D465-K492 PolarHBondContact OD1-NZ 2.77Å; D465-K492 WeakPolarHBondContact OD2-CE 3.46Å; D465-K492 IonicContact OD2-NZ 3.26Å; D465-K492 PolarHBondContact OD2-NZ 3.22Å
466	N	98.9	Very high	98.8	Very high	2 Å²	2	14.3 Å²	14.3	1%	0.011	8%	0.081	C	C	.	.			trans	-148.5	-176.3	-166.3	67.6	69.5	0	0	0	112.1	Q57 V58 T92 S462 L464 E468	Q57-N466 HydrophobicContact CB-CB 4.27Å; Q57-N466 PolarHBondContact NE2-OD1 2.91Å; Q57-N466 WeakPolarHBondContact O-CB 3.28Å; V58-N466 HydrophobicContact CG1-CB 3.71Å; T92-N466 HydrophobicContact CG2-CB 4.28Å; S462-N466 PolarHBondContact OG-ND2 2.95Å; L464-N466 PolarHBondContact O-N 2.89Å; L464-N466 PolarHBondContact O-ND2 2.87Å; N466-E468 PolarHBondContact O-N 3.37Å
467	F	98.9	Very high	98.8	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	7%	0.066	C	C	.	.			trans	-75.8	100.7	173.1	176	-93.9	0	0	0	110.3	Y56 Q57 W72 A76 V82 W469 Y473	Y56-F467 HydrophobicContact CD1-CD1 4.06Å; Y56-F467 HydrophobicContact CD1-CE1 4.05Å; Y56-F467 AromaticContact CE1-CD1 3.99Å; Y56-F467 HydrophobicContact CE1-CD1 3.99Å; Y56-F467 AromaticContact CE1-CE1 3.64Å; Y56-F467 HydrophobicContact CE1-CE1 3.64Å; Y56-F467 HydrophobicContact CE1-CZ 4.31Å; Q57-F467 WeakPolarHBondContact CG-O 3.45Å; Q57-F467 PolarHBondContact NE2-O 2.82Å; Q57-F467 PolarHBondContact O-N 3.14Å; Q57-F467 VanDerWaalsContact O-N 3.16Å; W72-F467 HydrophobicContact CE3-CE1 4.23Å; W72-F467 HydrophobicContact CZ3-CE1 4.27Å; A76-F467 HydrophobicContact CB-CZ 4.24Å; V82-F467 HydrophobicContact CG1-CE2 3.85Å; V82-F467 HydrophobicContact CG1-CZ 3.97Å; V82-F467 HydrophobicContact CG2-CZ 4.15Å; F467-W469 VanDerWaalsContact C-N 3.32Å; F467-W469 HydrophobicContact CE1-CE3 4.4Å; F467-W469 WeakPolarHBondContact CZ-O 3.49Å; F467-W469 PolarHBondContact O-N 3.45Å; F467-W469 VanDerWaalsContact O-N 3.09Å; F467-Y473 HydrophobicContact CB-CD1 4.37Å; F467-Y473 HydrophobicContact CB-CE1 3.76Å; F467-Y473 HydrophobicContact CD2-CE1 4.29Å; F467-Y473 HydrophobicContact CD2-CE2 4.36Å
468	E	98.8	Very high	98.8	Very high	24 Å²	24	12.4 Å²	12.4	11%	0.112	7%	0.066	C	C	.	.			trans	-89	65.8	-177.5	-171.3	55.7	-138	0	0	111.2	Q57 N466 L470 S471 G472 F477	Q57-E468 PolarHBondContact NE2-OE2 3.22Å; N466-E468 PolarHBondContact O-N 3.37Å; E468-L470 PolarHBondContact O-N 3.26Å; E468-S471 WeakPolarHBondContact O-CA 3.33Å; E468-S471 VanDerWaalsContact O-CB 3.29Å; E468-S471 WeakPolarHBondContact O-CB 3.44Å; E468-S471 PolarHBondContact O-N 2.54Å; E468-G472 PolarHBondContact N-O 2.85Å; E468-G472 PolarHBondContact O-N 3.35Å; E468-F477 HydrophobicContact CG-CD2 4.06Å; E468-F477 HydrophobicContact CG-CE2 3.96Å
469	W	98.7	Very high	98.8	Very high	24 Å²	24	12.4 Å²	12.4	9%	0.091	7%	0.066	C	C	.	.	G	3₁₀ helix	trans	51.5	-121.2	169.8	-52.3	119.9	0	0	0	113.7	Y56 Q57 W72 V82 H158 Y159 F467 S471 G472	Y56-W469 HydrophobicContact CD1-CZ3 4.07Å; Q57-W469 HydrophobicContact CG-CD2 4.44Å; Q57-W469 HydrophobicContact CG-CE3 4.49Å; Q57-W469 HydrophobicContact CG-CH2 3.67Å; Q57-W469 HydrophobicContact CG-CZ2 3.56Å; Q57-W469 HydrophobicContact CG-CZ3 4.15Å; W72-W469 AromaticContact CD1-CZ3 3.91Å; W72-W469 AromaticContact CD2-CE3 3.71Å; W72-W469 HydrophobicContact CD2-CE3 3.71Å; W72-W469 AromaticContact CD2-CZ3 3.86Å; W72-W469 HydrophobicContact CD2-CZ3 3.86Å; W72-W469 AromaticContact CE2-CE3 3.38Å; W72-W469 AromaticContact CE2-CZ3 3.69Å; W72-W469 HydrophobicContact CE3-CE3 4.02Å; W72-W469 HydrophobicContact CE3-CZ3 4.5Å; W72-W469 HydrophobicContact CG-CE3 4.36Å; W72-W469 HydrophobicContact CG-CZ3 4.02Å; W72-W469 HydrophobicContact CH2-CB 3.64Å; W72-W469 HydrophobicContact CH2-CD2 4.32Å; W72-W469 AromaticContact CH2-CE3 3.81Å; W72-W469 HydrophobicContact CH2-CE3 3.81Å; W72-W469 HydrophobicContact CH2-CG 4.3Å; W72-W469 HydrophobicContact CZ2-CB 4.07Å; W72-W469 AromaticContact CZ2-CD2 3.99Å; W72-W469 HydrophobicContact CZ2-CD2 3.99Å; W72-W469 AromaticContact CZ2-CE3 3.44Å; W72-W469 HydrophobicContact CZ2-CE3 3.44Å; W72-W469 VanDerWaalsContact CZ2-CE3 3.44Å; W72-W469 HydrophobicContact CZ2-CG 4.27Å; W72-W469 HydrophobicContact CZ2-CZ3 4.21Å; W72-W469 HydrophobicContact CZ3-CB 4.33Å; W72-W469 HydrophobicContact CZ3-CE3 4.07Å; W72-W469 AromaticContact NE1-CE3 3.84Å; W72-W469 AromaticContact NE1-CZ3 3.69Å; V82-W469 WeakPolarHBondContact CG1-O 3.28Å; H158-W469 AromaticContact CD2-CZ2 3.6Å; H158-W469 AromaticContact NE2-CZ2 3.67Å; Y159-W469 HydrophobicContact CD2-CD2 4.24Å; Y159-W469 AromaticContact CD2-CE2 3.65Å; Y159-W469 HydrophobicContact CD2-CE3 4.49Å; Y159-W469 AromaticContact CD2-CH2 3.67Å; Y159-W469 HydrophobicContact CD2-CH2 3.67Å; Y159-W469 AromaticContact CD2-CZ2 3.35Å; Y159-W469 HydrophobicContact CD2-CZ2 3.35Å; Y159-W469 HydrophobicContact CD2-CZ3 4.23Å; Y159-W469 AromaticContact CE2-CE2 3.85Å; Y159-W469 AromaticContact CE2-CZ2 3.82Å; Y159-W469 HydrophobicContact CE2-CZ2 3.82Å; Y159-W469 AromaticContact CE2-NE1 3.94Å; Y159-W469 HydrophobicContact CG-CH2 4.41Å; Y159-W469 HydrophobicContact CG-CZ2 4.43Å; F467-W469 VanDerWaalsContact C-N 3.32Å; F467-W469 HydrophobicContact CE1-CE3 4.4Å; F467-W469 WeakPolarHBondContact CZ-O 3.49Å; F467-W469 PolarHBondContact O-N 3.45Å; F467-W469 VanDerWaalsContact O-N 3.09Å; W469-S471 PolarHBondContact O-N 3.47Å; W469-G472 PolarHBondContact O-N 2.93Å
470	L	98.6	Very high	98.8	Very high	62 Å²	62	12.4 Å²	12.4	33%	0.325	7%	0.066	S	C	.	.	G	3₁₀ helix	trans	-61.6	-28.9	179.1	-58.2	-175.9	0	0	0	112.8	W72 F75 A83 E468 G472	W72-L470 HydrophobicContact CH2-CD2 4.08Å; F75-L470 HydrophobicContact CE1-CD2 3.56Å; F75-L470 HydrophobicContact CZ-CD2 3.47Å; F75-L470 VanDerWaalsContact CZ-CD2 3.47Å; A83-L470 PolarHBondContact N-O 3.38Å; E468-L470 PolarHBondContact O-N 3.26Å; L470-G472 PolarHBondContact O-N 2.94Å
471	S	98.7	Very high	98.8	Very high	40 Å²	40	13.3 Å²	13.3	28%	0.28	7%	0.069	S	C	.	.	G	3₁₀ helix	trans	-77.2	-10	177.1	-65.7	0	0	0	0	112.5	E468 W469 Y473 T474	E468-S471 WeakPolarHBondContact O-CA 3.33Å; E468-S471 VanDerWaalsContact O-CB 3.29Å; E468-S471 WeakPolarHBondContact O-CB 3.44Å; E468-S471 PolarHBondContact O-N 2.54Å; W469-S471 PolarHBondContact O-N 3.47Å; S471-Y473 PolarHBondContact O-N 3.3Å; S471-T474 WeakPolarHBondContact O-CB 3.44Å; S471-T474 PolarHBondContact O-N 2.97Å; S471-T474 PolarHBondContact O-OG1 3.06Å
472	G	98.6	Very high	98.8	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	7%	0.068	C	C	.	.	G	3₁₀ helix	trans	50.6	-130.5	-175	0	0	0	0	0	110.5	E468 W469 L470 T474	E468-G472 PolarHBondContact N-O 2.85Å; E468-G472 PolarHBondContact O-N 3.35Å; W469-G472 PolarHBondContact O-N 2.93Å; L470-G472 PolarHBondContact O-N 2.94Å; G472-T474 VanDerWaalsContact C-N 3.29Å; G472-T474 PolarHBondContact O-N 2.86Å
473	Y	98.8	Very high	98.8	Very high	31 Å²	31	14.5 Å²	14.5	12%	0.122	8%	0.075	C	C	.	.	G	3₁₀ helix	trans	-85.3	9.3	175.9	-54.1	-66.5	0	0	0	113.7	Q86 N87 A91 F467 S471 S475 K476 F484	Q86-Y473 HydrophobicContact CB-CD2 3.85Å; Q86-Y473 HydrophobicContact CB-CE2 3.93Å; Q86-Y473 HydrophobicContact CG-CD2 3.9Å; Q86-Y473 HydrophobicContact CG-CE2 4.35Å; N87-Y473 PolarHBondContact O-OH 2.62Å; A91-Y473 VanDerWaalsContact CA-OH 3.27Å; A91-Y473 WeakPolarHBondContact CA-OH 3.37Å; A91-Y473 PolarHBondContact N-OH 3.4Å; F467-Y473 HydrophobicContact CB-CD1 4.37Å; F467-Y473 HydrophobicContact CB-CE1 3.76Å; F467-Y473 HydrophobicContact CD2-CE1 4.29Å; F467-Y473 HydrophobicContact CD2-CE2 4.36Å; S471-Y473 PolarHBondContact O-N 3.3Å; Y473-S475 VanDerWaalsContact C-N 3.32Å; Y473-S475 PolarHBondContact O-N 3.28Å; Y473-K476 WeakPolarHBondContact O-CD 3.46Å; Y473-K476 PolarHBondContact O-NZ 2.81Å; Y473-F484 AromaticContact CD1-CD1 3.6Å; Y473-F484 HydrophobicContact CD1-CD1 3.6Å; Y473-F484 HydrophobicContact CD1-CD2 4.35Å; Y473-F484 AromaticContact CD1-CE1 3.21Å; Y473-F484 HydrophobicContact CD1-CE1 3.21Å; Y473-F484 HydrophobicContact CD1-CE2 4.02Å; Y473-F484 HydrophobicContact CD1-CG 4.15Å; Y473-F484 AromaticContact CD1-CZ 3.43Å; Y473-F484 HydrophobicContact CD1-CZ 3.43Å; Y473-F484 VanDerWaalsContact CD1-CZ 3.43Å; Y473-F484 AromaticContact CE1-CD1 3.74Å; Y473-F484 HydrophobicContact CE1-CD1 3.74Å; Y473-F484 AromaticContact CE1-CE1 3.37Å; Y473-F484 HydrophobicContact CE1-CE1 3.37Å; Y473-F484 HydrophobicContact CE1-CZ 4.03Å; Y473-F484 HydrophobicContact CG-CD1 4.14Å; Y473-F484 HydrophobicContact CG-CD2 4.49Å; Y473-F484 HydrophobicContact CG-CE1 4.14Å; Y473-F484 HydrophobicContact CG-CE2 4.47Å; Y473-F484 HydrophobicContact CG-CG 4.32Å; Y473-F484 HydrophobicContact CG-CZ 4.29Å
474	T	98.8	Very high	98.8	Very high	54 Å²	54	16.8 Å²	16.8	33%	0.331	9%	0.086	S	C	.	.	G	3₁₀ helix	trans	-81.5	-10.5	-176.2	66.6	0	0	0	0	114.2	A83 A421 S471 G472	A83-T474 HydrophobicContact CB-CG2 4.04Å; A421-T474 HydrophobicContact CB-CG2 4.37Å; A421-T474 PolarHBondContact N-O 2.98Å; S471-T474 WeakPolarHBondContact O-CB 3.44Å; S471-T474 PolarHBondContact O-N 2.97Å; S471-T474 PolarHBondContact O-OG1 3.06Å; G472-T474 VanDerWaalsContact C-N 3.29Å; G472-T474 PolarHBondContact O-N 2.86Å
475	S	98.8	Very high	98.8	Very high	1 Å²	1	24 Å²	24	1%	0.007	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	127.8	175.2	173.9	0	0	0	0	110.4	D418 Y473 F477	D418-S475 WeakPolarHBondContact CB-OG 3.28Å; D418-S475 VanDerWaalsContact CG-OG 3.25Å; D418-S475 WeakPolarHBondContact OD2-CB 3.3Å; D418-S475 PolarHBondContact OD2-OG 3.11Å; Y473-S475 VanDerWaalsContact C-N 3.32Å; Y473-S475 PolarHBondContact O-N 3.28Å; S475-F477 WeakPolarHBondContact OG-CD2 3.37Å; S475-F477 WeakPolarHBondContact OG-CE2 3.35Å
476	K	98.9	Very high	98.8	Very high	18 Å²	18	27.2 Å²	27.2	8%	0.078	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	89.7	-174.5	-93.8	66.5	176.2	166.6	0	111.5	D418 Q419 Y428 R434 D465 Y473	D418-K476 WeakPolarHBondContact CA-O 3.47Å; Q419-K476 HydrophobicContact CB-CB 4.05Å; Q419-K476 PolarHBondContact N-O 3.23Å; Q419-K476 PolarHBondContact O-N 2.94Å; Y428-K476 HydrophobicContact CD1-CB 4.44Å; Y428-K476 HydrophobicContact CD1-CG 4.28Å; Y428-K476 HydrophobicContact CE1-CB 4.02Å; Y428-K476 HydrophobicContact CE1-CD 4.24Å; Y428-K476 HydrophobicContact CE1-CG 3.74Å; R434-K476 PolarHBondContact NH2-O 3.43Å; D465-K476 HydrophobicContact CB-CG 3.97Å; D465-K476 VanDerWaalsContact OD1-CA 3.29Å; D465-K476 WeakPolarHBondContact OD1-CA 3.38Å; D465-K476 VanDerWaalsContact OD1-CB 3.28Å; D465-K476 WeakPolarHBondContact OD1-CB 3.31Å; D465-K476 WeakPolarHBondContact OD2-CG 3.36Å; Y473-K476 WeakPolarHBondContact O-CD 3.46Å; Y473-K476 PolarHBondContact O-NZ 2.81Å
477	F	98.9	Very high	98.8	Very high	2 Å²	2	28.5 Å²	28.5	1%	0.009	15%	0.15	C	C	.	.			trans	-83.5	-18.2	-178.9	-91	-84.3	0	0	0	115.5	Y343 W386 L387 D418 W461 S462 D465 E468 S475	Y343-F477 HydrophobicContact CD1-CE1 4.47Å; Y343-F477 HydrophobicContact CE1-CE1 4Å; W386-F477 HydrophobicContact CH2-CZ 4.25Å; W386-F477 HydrophobicContact CZ2-CZ 4.14Å; L387-F477 HydrophobicContact CD1-CE1 3.82Å; L387-F477 HydrophobicContact CD1-CZ 3.83Å; D418-F477 HydrophobicContact CB-CD1 4.27Å; D418-F477 HydrophobicContact CB-CD2 3.64Å; D418-F477 HydrophobicContact CB-CE1 4.22Å; D418-F477 HydrophobicContact CB-CE2 3.56Å; D418-F477 HydrophobicContact CB-CG 4Å; D418-F477 HydrophobicContact CB-CZ 3.86Å; W461-F477 AromaticContact CD1-CD1 3.56Å; W461-F477 AromaticContact CD1-CG 3.7Å; W461-F477 AromaticContact NE1-CG 3.93Å; S462-F477 PolarHBondContact N-O 3.34Å; D465-F477 PolarHBondContact OD1-N 3.1Å; E468-F477 HydrophobicContact CG-CD2 4.06Å; E468-F477 HydrophobicContact CG-CE2 3.96Å; S475-F477 WeakPolarHBondContact OG-CD2 3.37Å; S475-F477 WeakPolarHBondContact OG-CE2 3.35Å
478	G	98.9	Very high	98.8	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.17	C	C	.	.			trans	-65.8	144.6	-167.7	0	0	0	0	0	113.8	S462 L464 D465 K492	S462-G478 WeakPolarHBondContact O-CA 3.28Å; S462-G478 VanDerWaalsContact OG-CA 3.3Å; S462-G478 WeakPolarHBondContact OG-CA 3.29Å; S462-G478 PolarHBondContact OG-N 3.09Å; L464-G478 VanDerWaalsContact C-CA 3.43Å; D465-G478 WeakPolarHBondContact OD1-CA 3.39Å; D465-G478 PolarHBondContact OD1-N 3.42Å; G478-K492 VanDerWaalsContact O-CD 3.27Å; G478-K492 WeakPolarHBondContact O-CD 3.49Å; G478-K492 VanDerWaalsContact O-CE 3.25Å; G478-K492 WeakPolarHBondContact O-CE 3.39Å; G478-K492 PolarHBondContact O-NZ 3.12Å
479	I	98.9	Very high	98.8	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.168	C	C	.	.	S	Bend	trans	-75	-18.5	160.3	68.1	176.8	0	0	0	111.6	T51 L108 F110 Y438 S462 L463 K492 S494 A495 F498	T51-I479 HydrophobicContact CG2-CD1 3.79Å; L108-I479 HydrophobicContact CD1-CD1 4.34Å; F110-I479 HydrophobicContact CE2-CD1 3.7Å; F110-I479 HydrophobicContact CZ-CD1 3.7Å; Y438-I479 HydrophobicContact CE2-CG2 3.63Å; S462-I479 PolarHBondContact O-N 2.88Å; L463-I479 PolarHBondContact O-N 3.39Å; I479-K492 VanDerWaalsContact O-CB 3.24Å; I479-K492 WeakPolarHBondContact O-CB 3.28Å; I479-K492 WeakPolarHBondContact O-CG 3.05Å; I479-K492 PolarHBondContact O-N 3.18Å; I479-S494 WeakPolarHBondContact CA-OG 3.27Å; I479-A495 HydrophobicContact CB-CB 4.15Å; I479-A495 HydrophobicContact CD1-CB 4.35Å; I479-A495 HydrophobicContact CG1-CB 4.17Å; I479-A495 VanDerWaalsContact O-CB 3.28Å; I479-A495 WeakPolarHBondContact O-CB 3.29Å; I479-F498 HydrophobicContact CD1-CD2 4.16Å; I479-F498 HydrophobicContact CG2-CD2 4.34Å; I479-F498 HydrophobicContact CG2-CE2 4.17Å
480	V	99	Very high	98.8	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	125.6	170	-178.3	0	0	0	0	108.4	L104 L108 L463 L464 D465 R489	L104-V480 HydrophobicContact CD2-CB 4.26Å; L104-V480 HydrophobicContact CD2-CG1 3.64Å; L104-V480 HydrophobicContact CD2-CG2 3.61Å; L104-V480 HydrophobicContact CG-CG2 4.34Å; L108-V480 HydrophobicContact CD1-CG2 4.36Å; L463-V480 HydrophobicContact CD1-CG2 4.27Å; L463-V480 VanDerWaalsContact O-CB 3.25Å; L463-V480 WeakPolarHBondContact O-CB 3.47Å; L463-V480 WeakPolarHBondContact O-CG2 3.48Å; L463-V480 PolarHBondContact O-N 3.27Å; L464-V480 HydrophobicContact CD2-CB 3.86Å; L464-V480 HydrophobicContact CD2-CG1 3.9Å; D465-V480 PolarHBondContact N-O 2.92Å; D465-V480 VanDerWaalsContact N-O 3.09Å; V480-R489 HydrophobicContact CG1-CB 3.77Å; V480-R489 HydrophobicContact CG1-CG 4.05Å
481	Y	98.9	Very high	98.8	Very high	18 Å²	18	31.4 Å²	31.4	7%	0.071	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	137.1	172.5	168.3	-114.2	0	0	0	110.1	R425 Y428 L429 D465 D483 R489 H490 K492	R425-Y481 HydrophobicContact CB-CE1 4.18Å; R425-Y481 HydrophobicContact CG-CD1 4.01Å; R425-Y481 HydrophobicContact CG-CE1 3.7Å; Y428-Y481 AromaticContact CD2-CD2 3.8Å; Y428-Y481 HydrophobicContact CD2-CD2 3.8Å; Y428-Y481 AromaticContact CD2-CE2 3.43Å; Y428-Y481 HydrophobicContact CD2-CE2 3.43Å; Y428-Y481 VanDerWaalsContact CD2-CE2 3.43Å; Y428-Y481 AromaticContact CE2-CE2 3.95Å; Y428-Y481 HydrophobicContact CE2-CE2 3.95Å; Y428-Y481 AromaticContact CG-CD2 3.87Å; Y428-Y481 HydrophobicContact CG-CD2 3.87Å; Y428-Y481 HydrophobicContact CG-CE2 4Å; L429-Y481 HydrophobicContact CD2-CD1 4.49Å; D465-Y481 WeakPolarHBondContact OD2-CA 3.38Å; Y481-D483 HydrophobicContact CE1-CB 3.88Å; Y481-R489 CarbonylContact O-C 3.6Å; Y481-R489 WeakPolarHBondContact O-CA 3Å; Y481-H490 WeakPolarHBondContact CB-O 3.29Å; Y481-H490 HydrophobicContact CD1-CB 4.07Å; Y481-H490 AromaticContact CD1-CD2 3.7Å; Y481-H490 PolarHBondContact N-O 3.05Å; Y481-H490 PolarHBondContact O-N 3.02Å; Y481-K492 VanDerWaalsContact CA-CE 3.5Å
482	V	98.9	Very high	98.8	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	120.8	168.4	-179.3	0	0	0	0	108.2	T92 L464 D465 F484 E488	T92-V482 HydrophobicContact CG2-CG2 4.39Å; L464-V482 HydrophobicContact CB-CG2 3.9Å; L464-V482 HydrophobicContact CD2-CG2 4.21Å; L464-V482 HydrophobicContact CG-CG2 4.44Å; D465-V482 HydrophobicContact CB-CB 4.24Å; D465-V482 HydrophobicContact CB-CG2 4.4Å; D465-V482 WeakPolarHBondContact O-CG2 3.47Å; V482-F484 HydrophobicContact CB-CE2 4.5Å; V482-F484 HydrophobicContact CB-CZ 4.34Å; V482-F484 HydrophobicContact CG1-CD1 4.32Å; V482-F484 HydrophobicContact CG1-CE1 4.22Å; V482-F484 HydrophobicContact CG1-CZ 4.48Å; V482-F484 PolarHBondContact O-N 3.48Å; V482-E488 WeakPolarHBondContact CA-O 3.49Å
483	D	98.8	Very high	98.8	Very high	28 Å²	28	30.8 Å²	30.8	15%	0.15	16%	0.162	C	C	.	.			trans	-75.2	111.2	165.3	-171.1	-38.4	0	0	0	108	Y481 N485 T486 L487 E488	Y481-D483 HydrophobicContact CE1-CB 3.88Å; D483-N485 PolarHBondContact O-N 3.06Å; D483-N485 VanDerWaalsContact OD1-CB 3.32Å; D483-N485 WeakPolarHBondContact OD1-CB 3.28Å; D483-N485 PolarHBondContact OD1-N 2.98Å; D483-N485 PolarHBondContact OD1-ND2 3.16Å; D483-T486 WeakPolarHBondContact CB-OG1 3.42Å; D483-T486 PolarHBondContact O-N 3.3Å; D483-T486 PolarHBondContact OD1-N 3.25Å; D483-L487 WeakPolarHBondContact O-CA 3.36Å; D483-L487 PolarHBondContact O-N 2.81Å; D483-E488 PolarHBondContact N-O 3.26Å; D483-E488 VanDerWaalsContact N-O 3.11Å
484	F	98.6	Very high	98.8	Very high	49 Å²	49	29.3 Å²	29.3	22%	0.215	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-8	-176.6	-72.5	-76.8	0	0	0	113.9	T92 D465 Y473 V482	T92-F484 HydrophobicContact CG2-CE1 4.4Å; D465-F484 HydrophobicContact CB-CE2 4.13Å; D465-F484 HydrophobicContact CB-CZ 4.21Å; Y473-F484 AromaticContact CD1-CD1 3.6Å; Y473-F484 HydrophobicContact CD1-CD1 3.6Å; Y473-F484 HydrophobicContact CD1-CD2 4.35Å; Y473-F484 AromaticContact CD1-CE1 3.21Å; Y473-F484 HydrophobicContact CD1-CE1 3.21Å; Y473-F484 HydrophobicContact CD1-CE2 4.02Å; Y473-F484 HydrophobicContact CD1-CG 4.15Å; Y473-F484 AromaticContact CD1-CZ 3.43Å; Y473-F484 HydrophobicContact CD1-CZ 3.43Å; Y473-F484 VanDerWaalsContact CD1-CZ 3.43Å; Y473-F484 AromaticContact CE1-CD1 3.74Å; Y473-F484 HydrophobicContact CE1-CD1 3.74Å; Y473-F484 AromaticContact CE1-CE1 3.37Å; Y473-F484 HydrophobicContact CE1-CE1 3.37Å; Y473-F484 HydrophobicContact CE1-CZ 4.03Å; Y473-F484 HydrophobicContact CG-CD1 4.14Å; Y473-F484 HydrophobicContact CG-CD2 4.49Å; Y473-F484 HydrophobicContact CG-CE1 4.14Å; Y473-F484 HydrophobicContact CG-CE2 4.47Å; Y473-F484 HydrophobicContact CG-CG 4.32Å; Y473-F484 HydrophobicContact CG-CZ 4.29Å; V482-F484 HydrophobicContact CB-CE2 4.5Å; V482-F484 HydrophobicContact CB-CZ 4.34Å; V482-F484 HydrophobicContact CG1-CD1 4.32Å; V482-F484 HydrophobicContact CG1-CE1 4.22Å; V482-F484 HydrophobicContact CG1-CZ 4.48Å; V482-F484 PolarHBondContact O-N 3.48Å
485	N	98.4	Very high	98.8	Very high	151 Å²	151	26.8 Å²	26.8	81%	0.807	14%	0.14	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-40.4	171.5	-57	-58.9	0	0	0	111.6	D483	D483-N485 PolarHBondContact O-N 3.06Å; D483-N485 VanDerWaalsContact OD1-CB 3.32Å; D483-N485 WeakPolarHBondContact OD1-CB 3.28Å; D483-N485 PolarHBondContact OD1-N 2.98Å; D483-N485 PolarHBondContact OD1-ND2 3.16Å
486	T	98.7	Very high	98.8	Very high	67 Å²	67	31.1 Å²	31.1	41%	0.411	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.2	-13.8	-174.7	67.7	0	0	0	0	113.9	D483 E488	D483-T486 WeakPolarHBondContact CB-OG1 3.42Å; D483-T486 PolarHBondContact O-N 3.3Å; D483-T486 PolarHBondContact OD1-N 3.25Å; T486-E488 WeakPolarHBondContact CB-OE2 3.41Å; T486-E488 PolarHBondContact O-N 2.88Å; T486-E488 WeakPolarHBondContact OG1-CB 3.32Å; T486-E488 VanDerWaalsContact OG1-CG 3.31Å; T486-E488 WeakPolarHBondContact OG1-CG 3.35Å; T486-E488 PolarHBondContact OG1-N 3.4Å; T486-E488 PolarHBondContact OG1-OE2 2.73Å
487	L	98.8	Very high	98.8	Very high	29 Å²	29	30.3 Å²	30.3	15%	0.152	15%	0.154	C	C	.	.			trans	60.6	19.4	-171.2	-51.4	177.8	0	0	0	113.8	V90 D93 D483 R489	V90-L487 HydrophobicContact CG1-CD1 3.97Å; D93-L487 HydrophobicContact CB-CD1 3.76Å; D483-L487 WeakPolarHBondContact O-CA 3.36Å; D483-L487 PolarHBondContact O-N 2.81Å; L487-R489 WeakPolarHBondContact O-CD 3.47Å; L487-R489 PolarHBondContact O-NH1 3.04Å
488	E	98.8	Very high	98.8	Very high	86 Å²	86	30.2 Å²	30.2	40%	0.402	15%	0.153	S	C	.	.			trans	-71.4	141.9	176.3	-70.8	172.1	107.4	0	0	112	V482 D483 T486 H490	V482-E488 WeakPolarHBondContact CA-O 3.49Å; D483-E488 PolarHBondContact N-O 3.26Å; D483-E488 VanDerWaalsContact N-O 3.11Å; T486-E488 WeakPolarHBondContact CB-OE2 3.41Å; T486-E488 PolarHBondContact O-N 2.88Å; T486-E488 WeakPolarHBondContact OG1-CB 3.32Å; T486-E488 VanDerWaalsContact OG1-CG 3.31Å; T486-E488 WeakPolarHBondContact OG1-CG 3.35Å; T486-E488 PolarHBondContact OG1-N 3.4Å; T486-E488 PolarHBondContact OG1-OE2 2.73Å; E488-H490 WeakPolarHBondContact CB-NE2 3.42Å
489	R	98.9	Very high	98.8	Very high	18 Å²	18	34.7 Å²	34.7	7%	0.068	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	128.4	176.5	-78.3	71.3	159.5	145.9	4.3	110.6	T92 D101 L104 L464 V480 Y481 L487	T92-R489 PolarHBondContact O-NH1 3.43Å; T92-R489 PolarHBondContact O-NH2 2.89Å; D101-R489 IonicContact OD1-CZ 3.12Å; D101-R489 IonicContact OD1-NE 2.69Å; D101-R489 PolarHBondContact OD1-NE 2.94Å; D101-R489 IonicContact OD1-NH2 3.73Å; D101-R489 PolarHBondContact OD1-NH2 3.42Å; D101-R489 IonicContact OD2-NH2 3.33Å; D101-R489 PolarHBondContact OD2-NH2 3.39Å; L104-R489 HydrophobicContact CD2-CB 4.27Å; L464-R489 HydrophobicContact CD2-CG 3.88Å; V480-R489 HydrophobicContact CG1-CB 3.77Å; V480-R489 HydrophobicContact CG1-CG 4.05Å; Y481-R489 CarbonylContact O-C 3.6Å; Y481-R489 WeakPolarHBondContact O-CA 3Å; L487-R489 WeakPolarHBondContact O-CD 3.47Å; L487-R489 PolarHBondContact O-NH1 3.04Å
490	H	98.9	Very high	98.8	Very high	43 Å²	43	37.2 Å²	37.2	20%	0.199	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	114.8	175.3	-56.6	-85.2	0	0	0	111.1	L429 Y481 E488 K492	L429-H490 HydrophobicContact CD2-CB 3.7Å; Y481-H490 WeakPolarHBondContact CB-O 3.29Å; Y481-H490 HydrophobicContact CD1-CB 4.07Å; Y481-H490 AromaticContact CD1-CD2 3.7Å; Y481-H490 PolarHBondContact N-O 3.05Å; Y481-H490 PolarHBondContact O-N 3.02Å; E488-H490 WeakPolarHBondContact CB-NE2 3.42Å; H490-K492 PolarHBondContact O-N 3.21Å
491	P	98.9	Very high	98.8	Very high	25 Å²	25	37.3 Å²	37.3	16%	0.162	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.5	128.8	177.6	-26.2	36.7	0	0	0	112	L104 A495 Y496	L104-P491 HydrophobicContact CD1-CG 3.81Å; L104-P491 HydrophobicContact CD2-CG 4.4Å; P491-A495 HydrophobicContact CB-CB 3.81Å; P491-Y496 HydrophobicContact CB-CE1 4.17Å; P491-Y496 HydrophobicContact CB-CE2 3.9Å; P491-Y496 WeakPolarHBondContact O-CE2 3.44Å
492	K	98.9	Very high	98.8	Very high	1 Å²	1	36.4 Å²	36.4	0%	0.004	18%	0.181	C	C	.	.			trans	-80.1	174	174.3	-51.8	177.1	-176.5	172.7	0	110.3	Q419 Y428 L429 D431 D465 G478 I479 Y481 H490 S494 A495 Y496	Q419-K492 VanDerWaalsContact OE1-NZ 3.12Å; Y428-K492 WeakPolarHBondContact O-CD 3.08Å; L429-K492 HydrophobicContact CD2-CG 4.17Å; D431-K492 HydrophobicContact CB-CD 4.34Å; D431-K492 WeakPolarHBondContact OD1-CB 3.4Å; D431-K492 WeakPolarHBondContact OD2-CB 3.33Å; D431-K492 WeakPolarHBondContact OD2-CD 3.45Å; D465-K492 IonicContact OD1-NZ 2.75Å; D465-K492 PolarHBondContact OD1-NZ 2.77Å; D465-K492 WeakPolarHBondContact OD2-CE 3.46Å; D465-K492 IonicContact OD2-NZ 3.26Å; D465-K492 PolarHBondContact OD2-NZ 3.22Å; G478-K492 VanDerWaalsContact O-CD 3.27Å; G478-K492 WeakPolarHBondContact O-CD 3.49Å; G478-K492 VanDerWaalsContact O-CE 3.25Å; G478-K492 WeakPolarHBondContact O-CE 3.39Å; G478-K492 PolarHBondContact O-NZ 3.12Å; I479-K492 VanDerWaalsContact O-CB 3.24Å; I479-K492 WeakPolarHBondContact O-CB 3.28Å; I479-K492 WeakPolarHBondContact O-CG 3.05Å; I479-K492 PolarHBondContact O-N 3.18Å; Y481-K492 VanDerWaalsContact CA-CE 3.5Å; H490-K492 PolarHBondContact O-N 3.21Å; K492-S494 PolarHBondContact O-N 3.28Å; K492-A495 WeakPolarHBondContact O-CB 3.48Å; K492-A495 PolarHBondContact O-N 3.36Å; K492-A495 VanDerWaalsContact O-N 3.07Å; K492-Y496 VanDerWaalsContact O-CD2 3.23Å; K492-Y496 WeakPolarHBondContact O-CD2 3.29Å; K492-Y496 PolarHBondContact O-N 3.06Å
493	A	98.9	Very high	98.8	Very high	26 Å²	26	43.4 Å²	43.4	22%	0.215	21%	0.211	C	C	.	.	H	α-helix	trans	-56.5	-35.5	174.9	0	0	0	0	0	112.1	L429 D431 V435 Y496 W497	L429-A493 PolarHBondContact O-N 3.13Å; D431-A493 WeakPolarHBondContact OD1-CB 3.15Å; D431-A493 PolarHBondContact OD1-N 2.91Å; D431-A493 VanDerWaalsContact OD1-N 3.12Å; V435-A493 HydrophobicContact CG2-CB 4.05Å; A493-Y496 PolarHBondContact O-N 3.41Å; A493-W497 WeakPolarHBondContact O-CB 3.33Å; A493-W497 PolarHBondContact O-N 3.05Å
494	S	98.9	Very high	98.6	Very high	0 Å²	0	51 Å²	51	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-63.6	-36.1	174.3	62.1	0	0	0	0	114.3	D431 I479 K492 W497 F498	D431-S494 PolarHBondContact OD1-N 3.27Å; D431-S494 WeakPolarHBondContact OD2-CB 3.23Å; D431-S494 PolarHBondContact OD2-OG 3.13Å; I479-S494 WeakPolarHBondContact CA-OG 3.27Å; K492-S494 PolarHBondContact O-N 3.28Å; S494-W497 WeakPolarHBondContact O-CB 3.22Å; S494-W497 PolarHBondContact O-N 3.44Å; S494-F498 WeakPolarHBondContact O-CD2 3.32Å; S494-F498 PolarHBondContact O-N 3.47Å
495	A	98.9	Very high	98.6	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-64	-45.9	172.8	0	0	0	0	0	111.2	L108 I479 P491 K492 W497 F498 R499	L108-A495 HydrophobicContact CD1-CB 3.81Å; L108-A495 HydrophobicContact CD2-CB 3.97Å; I479-A495 HydrophobicContact CB-CB 4.15Å; I479-A495 HydrophobicContact CD1-CB 4.35Å; I479-A495 HydrophobicContact CG1-CB 4.17Å; I479-A495 VanDerWaalsContact O-CB 3.28Å; I479-A495 WeakPolarHBondContact O-CB 3.29Å; P491-A495 HydrophobicContact CB-CB 3.81Å; K492-A495 WeakPolarHBondContact O-CB 3.48Å; K492-A495 PolarHBondContact O-N 3.36Å; K492-A495 VanDerWaalsContact O-N 3.07Å; A495-W497 VanDerWaalsContact C-N 3.3Å; A495-W497 PolarHBondContact O-N 3.49Å; A495-F498 PolarHBondContact O-N 3.24Å; A495-R499 PolarHBondContact O-N 3.42Å
496	Y	98.9	Very high	98.6	Very high	93 Å²	93	45.8 Å²	45.8	37%	0.365	22%	0.217	S	C	.	.	H	α-helix	trans	-65.1	-34.3	176	-63.4	-60.9	0	0	0	112.7	P491 K492 A493 R499 D500	P491-Y496 HydrophobicContact CB-CE1 4.17Å; P491-Y496 HydrophobicContact CB-CE2 3.9Å; P491-Y496 WeakPolarHBondContact O-CE2 3.44Å; K492-Y496 VanDerWaalsContact O-CD2 3.23Å; K492-Y496 WeakPolarHBondContact O-CD2 3.29Å; K492-Y496 PolarHBondContact O-N 3.06Å; A493-Y496 PolarHBondContact O-N 3.41Å; Y496-R499 WeakPolarHBondContact O-CB 3.39Å; Y496-R499 PolarHBondContact O-N 3.2Å; Y496-D500 WeakPolarHBondContact O-CB 3.45Å; Y496-D500 PolarHBondContact O-N 3.46Å
497	W	98.9	Very high	98.6	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-59.9	-46	172.6	-176.9	89.9	0	0	0	111.6	W34 L35 L38 V435 R439 L442 A493 S494 A495 D500 M501	W34-W497 AromaticContact CD2-CD1 3.91Å; W34-W497 HydrophobicContact CH2-CB 4.11Å; W34-W497 HydrophobicContact CZ2-CB 4.37Å; W34-W497 HydrophobicContact CZ3-CB 4.33Å; W34-W497 PolarHBondContact O-NE1 3.16Å; L35-W497 HydrophobicContact CD2-CG 4.4Å; L38-W497 HydrophobicContact CD1-CH2 3.89Å; L38-W497 HydrophobicContact CD1-CZ2 4.01Å; V435-W497 HydrophobicContact CG1-CB 4.32Å; V435-W497 HydrophobicContact CG1-CG 3.93Å; V435-W497 HydrophobicContact CG2-CB 4.38Å; R439-W497 HydrophobicContact CB-CZ2 3.8Å; R439-W497 HydrophobicContact CG-CZ2 4.27Å; L442-W497 HydrophobicContact CD1-CH2 3.7Å; L442-W497 HydrophobicContact CD1-CZ3 3.74Å; A493-W497 WeakPolarHBondContact O-CB 3.33Å; A493-W497 PolarHBondContact O-N 3.05Å; S494-W497 WeakPolarHBondContact O-CB 3.22Å; S494-W497 PolarHBondContact O-N 3.44Å; A495-W497 VanDerWaalsContact C-N 3.3Å; A495-W497 PolarHBondContact O-N 3.49Å; W497-D500 PolarHBondContact O-N 3.39Å; W497-M501 HydrophobicContact CH2-CB 4.42Å; W497-M501 HydrophobicContact CH2-CE 4.21Å; W497-M501 HydrophobicContact CH2-CG 4.05Å; W497-M501 HydrophobicContact CZ2-CG 4.41Å; W497-M501 HydrophobicContact CZ3-CB 4.35Å; W497-M501 HydrophobicContact CZ3-CE 4.05Å; W497-M501 HydrophobicContact CZ3-CG 4.35Å; W497-M501 WeakPolarHBondContact O-CB 3.35Å; W497-M501 PolarHBondContact O-N 3.09Å
498	F	98.9	Very high	98.5	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-62.2	-45.9	174.1	-85.8	-66.5	0	0	0	112.1	F110 Y438 L442 Y458 A460 I479 S494 A495 D500 M501 L502	F110-F498 HydrophobicContact CE1-CB 4.43Å; F110-F498 HydrophobicContact CE1-CD1 4.07Å; F110-F498 HydrophobicContact CE1-CG 4.18Å; F110-F498 HydrophobicContact CE2-CB 4.25Å; F110-F498 HydrophobicContact CZ-CB 3.71Å; F110-F498 HydrophobicContact CZ-CD1 4.04Å; F110-F498 AromaticContact CZ-CD2 3.97Å; F110-F498 HydrophobicContact CZ-CD2 3.97Å; F110-F498 AromaticContact CZ-CG 3.66Å; F110-F498 HydrophobicContact CZ-CG 3.66Å; Y438-F498 HydrophobicContact CD1-CE2 4.05Å; Y438-F498 AromaticContact CD1-CZ 3.7Å; Y438-F498 HydrophobicContact CD1-CZ 3.7Å; Y438-F498 HydrophobicContact CD2-CD2 4.39Å; Y438-F498 AromaticContact CD2-CE2 3.43Å; Y438-F498 HydrophobicContact CD2-CE2 3.43Å; Y438-F498 VanDerWaalsContact CD2-CE2 3.43Å; Y438-F498 AromaticContact CD2-CZ 3.89Å; Y438-F498 HydrophobicContact CD2-CZ 3.89Å; Y438-F498 HydrophobicContact CE1-CE2 4.1Å; Y438-F498 AromaticContact CE1-CZ 3.99Å; Y438-F498 HydrophobicContact CE1-CZ 3.99Å; Y438-F498 HydrophobicContact CE2-CD2 4.48Å; Y438-F498 AromaticContact CE2-CE2 3.49Å; Y438-F498 HydrophobicContact CE2-CE2 3.49Å; Y438-F498 VanDerWaalsContact CE2-CE2 3.49Å; Y438-F498 HydrophobicContact CE2-CZ 4.16Å; Y438-F498 AromaticContact CG-CE2 3.72Å; Y438-F498 HydrophobicContact CG-CE2 3.72Å; Y438-F498 AromaticContact CG-CZ 3.64Å; Y438-F498 HydrophobicContact CG-CZ 3.64Å; Y438-F498 AromaticContact CZ-CE2 3.84Å; L442-F498 HydrophobicContact CD1-CE1 3.96Å; L442-F498 HydrophobicContact CD1-CZ 4.4Å; Y458-F498 HydrophobicContact CE1-CE1 4.26Å; Y458-F498 HydrophobicContact CE1-CZ 4.1Å; A460-F498 HydrophobicContact CB-CE2 4.07Å; A460-F498 HydrophobicContact CB-CZ 4.02Å; I479-F498 HydrophobicContact CD1-CD2 4.16Å; I479-F498 HydrophobicContact CG2-CD2 4.34Å; I479-F498 HydrophobicContact CG2-CE2 4.17Å; S494-F498 WeakPolarHBondContact O-CD2 3.32Å; S494-F498 PolarHBondContact O-N 3.47Å; A495-F498 PolarHBondContact O-N 3.24Å; F498-D500 PolarHBondContact O-N 3.25Å; F498-M501 HydrophobicContact CD1-CE 4.1Å; F498-M501 HydrophobicContact CE1-CE 4.25Å; F498-M501 PolarHBondContact O-N 3.17Å; F498-L502 HydrophobicContact CB-CD1 4.32Å; F498-L502 HydrophobicContact CD1-CD1 3.97Å; F498-L502 HydrophobicContact CD1-CG 4.41Å; F498-L502 WeakPolarHBondContact O-CB 3.47Å; F498-L502 VanDerWaalsContact O-CG 3.25Å; F498-L502 WeakPolarHBondContact O-CG 3.34Å; F498-L502 PolarHBondContact O-N 3.39Å
499	R	98.9	Very high	98.5	Very high	94 Å²	94	43.1 Å²	43.1	36%	0.355	20%	0.198	S	C	.	.	H	α-helix	trans	-52.7	-45.9	177.1	-174.6	-170.3	68.5	-173.1	-1.9	111.7	S107 L108 N109 A495 Y496 K503	S107-R499 WeakPolarHBondContact O-CD 3.46Å; S107-R499 WeakPolarHBondContact O-CG 3.16Å; L108-R499 HydrophobicContact CD2-CB 4.05Å; L108-R499 WeakPolarHBondContact O-CA 3.25Å; N109-R499 PolarHBondContact ND2-O 3.06Å; A495-R499 PolarHBondContact O-N 3.42Å; Y496-R499 WeakPolarHBondContact O-CB 3.39Å; Y496-R499 PolarHBondContact O-N 3.2Å; R499-K503 PolarHBondContact O-N 3.17Å
500	D	98.7	Very high	98.5	Very high	54 Å²	54	44.7 Å²	44.7	29%	0.289	21%	0.207	S	C	.	.	H	α-helix	trans	-74.7	-34.3	-176.8	-69.7	10.6	0	0	0	112.2	W34 L35 Y496 W497 F498	W34-D500 HydrophobicContact CZ2-CB 4.13Å; W34-D500 VanDerWaalsContact CZ2-OD2 3.3Å; W34-D500 WeakPolarHBondContact CZ2-OD2 3.49Å; L35-D500 HydrophobicContact CD2-CB 4.27Å; Y496-D500 WeakPolarHBondContact O-CB 3.45Å; Y496-D500 PolarHBondContact O-N 3.46Å; W497-D500 PolarHBondContact O-N 3.39Å; F498-D500 PolarHBondContact O-N 3.25Å
501	M	98.8	Very high	98.5	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.005	21%	0.207	C	C	.	.	H	α-helix	trans	-69.6	-38.1	174.3	-165.5	-86.5	-75.9	0	0	112.4	L35 L38 S39 R40 F49 L442 W497 F498	L35-M501 HydrophobicContact CD2-CB 4.02Å; L38-M501 HydrophobicContact CB-CG 3.92Å; L38-M501 HydrophobicContact CB-SD 4.45Å; S39-M501 WeakPolarHBondContact CA-O 3.28Å; R40-M501 PolarHBondContact N-O 2.92Å; F49-M501 HydrophobicContact CD1-CE 4.35Å; F49-M501 HydrophobicContact CE1-CE 3.95Å; F49-M501 HydrophobicContact CZ-CE 4.25Å; L442-M501 HydrophobicContact CD1-CE 3.96Å; W497-M501 HydrophobicContact CH2-CB 4.42Å; W497-M501 HydrophobicContact CH2-CE 4.21Å; W497-M501 HydrophobicContact CH2-CG 4.05Å; W497-M501 HydrophobicContact CZ2-CG 4.41Å; W497-M501 HydrophobicContact CZ3-CB 4.35Å; W497-M501 HydrophobicContact CZ3-CE 4.05Å; W497-M501 HydrophobicContact CZ3-CG 4.35Å; W497-M501 WeakPolarHBondContact O-CB 3.35Å; W497-M501 PolarHBondContact O-N 3.09Å; F498-M501 HydrophobicContact CD1-CE 4.1Å; F498-M501 HydrophobicContact CE1-CE 4.25Å; F498-M501 PolarHBondContact O-N 3.17Å
502	L	98.8	Very high	98.4	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	21%	0.211	C	C	.	.	S	Bend	trans	-98	8.8	-170.9	-62.3	-179.8	0	0	0	114.3	R40 F49 N109 F110 F498 H504	R40-L502 HydrophobicContact CG-CD2 4.31Å; R40-L502 PolarHBondContact NE-O 2.85Å; F49-L502 HydrophobicContact CB-CD1 3.77Å; F49-L502 HydrophobicContact CB-CD2 3.76Å; F49-L502 HydrophobicContact CB-CG 4.44Å; F49-L502 HydrophobicContact CD1-CD2 3.82Å; F49-L502 HydrophobicContact CD2-CD2 3.38Å; F49-L502 HydrophobicContact CE1-CD2 4.25Å; F49-L502 HydrophobicContact CE2-CD2 3.83Å; F49-L502 HydrophobicContact CG-CD1 4.22Å; F49-L502 HydrophobicContact CG-CD2 3.36Å; F49-L502 HydrophobicContact CG-CG 4.45Å; F49-L502 HydrophobicContact CZ-CD2 4.25Å; N109-L502 HydrophobicContact CB-CB 3.88Å; N109-L502 VanDerWaalsContact CB-O 3.27Å; N109-L502 WeakPolarHBondContact CB-O 3.32Å; F110-L502 HydrophobicContact CD1-CD1 3.66Å; F110-L502 HydrophobicContact CE1-CD1 3.64Å; F110-L502 HydrophobicContact CG-CD1 4.33Å; F110-L502 HydrophobicContact CZ-CD1 4.28Å; F498-L502 HydrophobicContact CB-CD1 4.32Å; F498-L502 HydrophobicContact CD1-CD1 3.97Å; F498-L502 HydrophobicContact CD1-CG 4.41Å; F498-L502 WeakPolarHBondContact O-CB 3.47Å; F498-L502 VanDerWaalsContact O-CG 3.25Å; F498-L502 WeakPolarHBondContact O-CG 3.34Å; F498-L502 PolarHBondContact O-N 3.39Å; L502-H504 PolarHBondContact O-N 3.32Å
503	K	97.9	Very high	98.4	Very high	147 Å²	147	50.2 Å²	50.2	64%	0.639	23%	0.228	S	C	*	.			trans	-55.7	135.3	173.6	66.9	-176.8	-179.3	177.1	0	110.5	R499	R499-K503 PolarHBondContact O-N 3.17Å
504	H	94.3	Very high	98.3	Very high	187 Å²	187	52.4 Å²	52.4	87%	0.866	23%	0.229	S	C	*	.			trans	-79.7	0	179.9	-77.7	85.1	0	0	0	111.8	R40 D111 L502	R40-H504 PolarHBondContact NE-CE1 3.33Å; R40-H504 PolarHBondContact NH2-CE1 3.43Å; D111-H504 IonicContact OD1-CE1 2.97Å; D111-H504 PolarHBondContact OD1-CE1 3.4Å; D111-H504 IonicContact OD1-NE2 3.18Å; D111-H504 PolarHBondContact OD1-NE2 3.35Å; L502-H504 PolarHBondContact O-N 3.32Å

Retrieved 504 of 504 residues in 381.3 ms (Link to these results)

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