A0A096N6B0_PAPAN Loading...

Glucosaminyl (N-acetyl) transferase 1

AlphaFold DB , UniProt , Accession A0A096N6B0, Species PAPAN (Papio anubis, Olive baboon), Gene GCNT1, Length 428 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	38.3	Very low	42.2	Very low	237 Å²	237	190.5 Å²	190.5	100%	1.167	87%	0.868	S	S	*	*				0	134.4	0	-101.6	174.7	157.4	0	0	108.4
2	L	38.3	Very low	43	Very low	164 Å²	164	180.7 Å²	180.7	86%	0.859	84%	0.838	S	S	*	*			trans	65.2	100.6	177.1	-84.5	78.7	0	0	0	116.7
3	R	39	Very low	43.8	Very low	240 Å²	240	181.2 Å²	181.2	91%	0.906	83%	0.83	S	S	*	*			cis	96.8	104.8	48.9	-164.2	-177.7	-166.8	-178	1.5	111.7
4	N	44.8	Very low	44.6	Very low	149 Å²	149	173.7 Å²	173.7	80%	0.797	81%	0.806	S	S	*	*			trans	-7.4	142.3	158.4	-63.9	-26	0	0	0	118.9
5	L	42.4	Very low	45.4	Very low	167 Å²	167	169.3 Å²	169.3	87%	0.874	80%	0.796	S	S	*	*				174.7	106.2	124.5	-93.1	154.9	0	0	0	111.2
6	L	41.9	Very low	46.2	Very low	179 Å²	179	167.9 Å²	167.9	94%	0.937	79%	0.786	S	S	*	*				-178.6	141.4	119.1	-101.9	142.8	0	0	0	112
7	R	41.7	Very low	47.3	Very low	193 Å²	193	168 Å²	168	73%	0.728	78%	0.779	S	S	*	*			trans	-104.9	151.9	-159	-157.6	-175.2	-179.2	179	1.5	108.2
8	R	41.4	Very low	48.5	Very low	170 Å²	170	168.4 Å²	168.4	64%	0.642	77%	0.774	S	S	*	*			trans	82.8	124.8	147.5	-89.8	162.7	177.9	-170.1	-1	120.3
9	R	48	Very low	49.8	Very low	210 Å²	210	167.2 Å²	167.2	79%	0.792	77%	0.767	S	S	*	*			trans	68.1	114.4	133.7	-74.5	175.8	176.1	-178.9	-2.7	116.9
10	L	41.3	Very low	51	Low	177 Å²	177	162.7 Å²	162.7	93%	0.927	75%	0.752	S	S	*	*			trans	-161.8	76.1	143	-97.9	150.9	0	0	0	108.6
11	F	47	Very low	52.3	Low	210 Å²	210	159.3 Å²	159.3	92%	0.921	74%	0.743	S	S	*	*			trans	-118.9	142.7	153.5	-118.6	-85.6	0	0	0	107.1
12	S	51.6	Low	54.3	Low	72 Å²	72	152.8 Å²	152.8	50%	0.503	71%	0.712	S	S	.	*			trans	78.5	77.2	169	175.8	0	0	0	0	117.2
13	Y	53.3	Low	56.4	Low	187 Å²	187	147.6 Å²	147.6	73%	0.733	69%	0.687	S	S	*	*			trans	-155.3	63	155.8	-103.5	-77.1	0	0	0	113.8
14	P	56	Low	58.3	Low	77 Å²	77	142.5 Å²	142.5	50%	0.5	67%	0.672	S	S	.	*	S	Bend	trans	-134.1	-25	143.8	26.2	-9.1	0	0	0	115.2	K16 Y17 Y18	P14-K16 PolarHBondContact O-N 2.76Å; P14-Y17 PolarHBondContact O-N 3.39Å; P14-Y18 HydrophobicContact CB-CD2 4.48Å; P14-Y18 HydrophobicContact CB-CE2 4.15Å; P14-Y18 WeakPolarHBondContact O-CD2 3.43Å; P14-Y18 PolarHBondContact O-N 3.47Å
15	T	56.4	Low	59.9	Low	107 Å²	107	138.2 Å²	138.2	66%	0.656	65%	0.653	S	S	*	*	H	α-helix	trans	-70.8	-34.1	-171	2.1	0	0	0	0	114	Y17 F19	T15-Y17 VanDerWaalsContact C-N 3.32Å; T15-Y17 PolarHBondContact O-N 3.32Å; T15-F19 PolarHBondContact O-N 3.23Å; T15-F19 VanDerWaalsContact O-N 3.16Å
16	K	57.4	Low	61.7	Low	147 Å²	147	135 Å²	135	64%	0.639	64%	0.636	S	S	*	*	H	α-helix	trans	-66	-34.3	176.1	-76.8	-173.2	176.5	-176.8	0	112.5	P14 V20	P14-K16 PolarHBondContact O-N 2.76Å; K16-V20 VanDerWaalsContact O-CG2 3.24Å; K16-V20 WeakPolarHBondContact O-CG2 3.47Å; K16-V20 PolarHBondContact O-N 2.87Å; K16-V20 VanDerWaalsContact O-N 3.11Å
17	Y	65.2	Low	63.5	Low	170 Å²	170	130.6 Å²	130.6	67%	0.667	61%	0.613	S	S	*	*	H	α-helix	trans	-69.7	-44.4	179.5	-111.2	-86.3	0	0	0	111.4	P14 T15 F19 V20 V21	P14-Y17 PolarHBondContact O-N 3.39Å; T15-Y17 VanDerWaalsContact C-N 3.32Å; T15-Y17 PolarHBondContact O-N 3.32Å; Y17-F19 VanDerWaalsContact C-N 3.34Å; Y17-F19 PolarHBondContact O-N 3.47Å; Y17-V20 PolarHBondContact O-N 3.2Å; Y17-V21 VanDerWaalsContact O-CG2 3.3Å; Y17-V21 WeakPolarHBondContact O-CG2 3.45Å; Y17-V21 PolarHBondContact O-N 2.89Å
18	Y	68.3	Low	65	Low	176 Å²	176	125 Å²	125	69%	0.69	60%	0.6	S	S	*	*	H	α-helix	trans	-62.9	-39.4	176.1	-71.5	-67.5	0	0	0	112.7	P14 V21 L22	P14-Y18 HydrophobicContact CB-CD2 4.48Å; P14-Y18 HydrophobicContact CB-CE2 4.15Å; P14-Y18 WeakPolarHBondContact O-CD2 3.43Å; P14-Y18 PolarHBondContact O-N 3.47Å; Y18-V21 PolarHBondContact O-N 2.83Å; Y18-L22 WeakPolarHBondContact O-CB 3.49Å; Y18-L22 PolarHBondContact O-N 3.09Å
19	F	73.3	Confident	66.4	Low	145 Å²	145	123.3 Å²	123.3	64%	0.636	60%	0.598	S	S	*	*	H	α-helix	trans	-65.9	-42.3	177.7	-166.7	-96.5	0	0	0	112.2	T15 Y17 L22 V23	T15-F19 PolarHBondContact O-N 3.23Å; T15-F19 VanDerWaalsContact O-N 3.16Å; Y17-F19 VanDerWaalsContact C-N 3.34Å; Y17-F19 PolarHBondContact O-N 3.47Å; F19-L22 PolarHBondContact O-N 3.29Å; F19-V23 HydrophobicContact CD1-CG2 4.07Å; F19-V23 HydrophobicContact CE1-CG2 3.79Å; F19-V23 HydrophobicContact CZ-CG2 4.24Å; F19-V23 VanDerWaalsContact O-CG2 3.32Å; F19-V23 WeakPolarHBondContact O-CG2 3.45Å; F19-V23 PolarHBondContact O-N 3.25Å
20	V	74.7	Confident	67.3	Low	76 Å²	76	116.1 Å²	116.1	46%	0.461	58%	0.58	S	S	.	*	H	α-helix	trans	-64.4	-43	176.9	171.8	0	0	0	0	111	K16 Y17 L22 V23 F24	K16-V20 VanDerWaalsContact O-CG2 3.24Å; K16-V20 WeakPolarHBondContact O-CG2 3.47Å; K16-V20 PolarHBondContact O-N 2.87Å; K16-V20 VanDerWaalsContact O-N 3.11Å; Y17-V20 PolarHBondContact O-N 3.2Å; V20-L22 VanDerWaalsContact C-N 3.33Å; V20-L22 PolarHBondContact O-N 3.04Å; V20-V23 PolarHBondContact O-N 2.89Å; V20-F24 HydrophobicContact CG1-CD2 3.72Å; V20-F24 HydrophobicContact CG1-CE2 3.91Å; V20-F24 WeakPolarHBondContact O-CB 3.32Å; V20-F24 WeakPolarHBondContact O-CD2 3.39Å; V20-F24 PolarHBondContact O-N 3.36Å
21	V	78.3	Confident	68.5	Low	92 Å²	92	110.9 Å²	110.9	56%	0.558	56%	0.555	S	S	*	*	H	α-helix	trans	-62.3	-41.1	176.6	171.9	0	0	0	0	111.5	Y17 Y18 F24 S25	Y17-V21 VanDerWaalsContact O-CG2 3.3Å; Y17-V21 WeakPolarHBondContact O-CG2 3.45Å; Y17-V21 PolarHBondContact O-N 2.89Å; Y18-V21 PolarHBondContact O-N 2.83Å; V21-F24 PolarHBondContact O-N 3.12Å; V21-S25 WeakPolarHBondContact O-CB 3.26Å; V21-S25 PolarHBondContact O-N 3.35Å
22	L	80.1	Confident	69.2	Low	101 Å²	101	106.5 Å²	106.5	53%	0.529	54%	0.54	S	S	.	.	H	α-helix	trans	-67.6	-42	-179.9	-158.5	144.3	0	0	0	111.4	Y18 F19 V20 S25 L26	Y18-L22 WeakPolarHBondContact O-CB 3.49Å; Y18-L22 PolarHBondContact O-N 3.09Å; F19-L22 PolarHBondContact O-N 3.29Å; V20-L22 VanDerWaalsContact C-N 3.33Å; V20-L22 PolarHBondContact O-N 3.04Å; L22-S25 PolarHBondContact O-N 2.99Å; L22-S25 PolarHBondContact O-OG 2.8Å; L22-L26 HydrophobicContact CD2-CD1 3.65Å; L22-L26 HydrophobicContact CD2-CG 4.27Å; L22-L26 WeakPolarHBondContact O-CG 3.41Å; L22-L26 PolarHBondContact O-N 3.07Å
23	V	82.1	Confident	69.6	Low	54 Å²	54	111.9 Å²	111.9	33%	0.327	55%	0.549	S	S	.	.	H	α-helix	trans	-63.2	-45.1	173.8	171.8	0	0	0	0	111.3	F19 V20 S25 L26 I27	F19-V23 HydrophobicContact CD1-CG2 4.07Å; F19-V23 HydrophobicContact CE1-CG2 3.79Å; F19-V23 HydrophobicContact CZ-CG2 4.24Å; F19-V23 VanDerWaalsContact O-CG2 3.32Å; F19-V23 WeakPolarHBondContact O-CG2 3.45Å; F19-V23 PolarHBondContact O-N 3.25Å; V20-V23 PolarHBondContact O-N 2.89Å; V23-S25 VanDerWaalsContact C-N 3.31Å; V23-S25 PolarHBondContact O-N 2.83Å; V23-L26 PolarHBondContact O-N 3.43Å; V23-I27 HydrophobicContact CG1-CD1 3.7Å; V23-I27 HydrophobicContact CG1-CG1 4.37Å; V23-I27 WeakPolarHBondContact O-CB 3.44Å; V23-I27 VanDerWaalsContact O-CG1 3.26Å; V23-I27 WeakPolarHBondContact O-CG1 3.42Å; V23-I27 PolarHBondContact O-N 3.47Å
24	F	79.8	Confident	69.8	Low	134 Å²	134	109.3 Å²	109.3	59%	0.588	55%	0.547	S	S	*	.	H	α-helix	trans	-62.4	-37.9	175.1	-93.5	-79.9	0	0	0	112	V20 V21 I27 T28	V20-F24 HydrophobicContact CG1-CD2 3.72Å; V20-F24 HydrophobicContact CG1-CE2 3.91Å; V20-F24 WeakPolarHBondContact O-CB 3.32Å; V20-F24 WeakPolarHBondContact O-CD2 3.39Å; V20-F24 PolarHBondContact O-N 3.36Å; V21-F24 PolarHBondContact O-N 3.12Å; F24-I27 PolarHBondContact O-N 2.87Å; F24-T28 WeakPolarHBondContact O-CB 3.24Å; F24-T28 WeakPolarHBondContact O-CG2 3.48Å; F24-T28 PolarHBondContact O-N 3.19Å; F24-T28 PolarHBondContact O-OG1 3.37Å
25	S	78.5	Confident	69.5	Low	58 Å²	58	112.4 Å²	112.4	41%	0.406	56%	0.555	S	S	.	*	H	α-helix	trans	-66.5	-37.6	176	81.3	0	0	0	0	112.8	V21 L22 V23 T28 F29	V21-S25 WeakPolarHBondContact O-CB 3.26Å; V21-S25 PolarHBondContact O-N 3.35Å; L22-S25 PolarHBondContact O-N 2.99Å; L22-S25 PolarHBondContact O-OG 2.8Å; V23-S25 VanDerWaalsContact C-N 3.31Å; V23-S25 PolarHBondContact O-N 2.83Å; S25-T28 WeakPolarHBondContact CA-OG1 3.37Å; S25-T28 PolarHBondContact O-OG1 3.04Å; S25-F29 WeakPolarHBondContact O-CB 3.34Å; S25-F29 PolarHBondContact O-N 2.61Å
26	L	79.1	Confident	69	Low	99 Å²	99	114.4 Å²	114.4	52%	0.518	56%	0.556	S	S	.	*	H	α-helix	trans	-71.5	-38.4	176.5	-75.3	171.7	0	0	0	111.2	L22 V23 S30	L22-L26 HydrophobicContact CD2-CD1 3.65Å; L22-L26 HydrophobicContact CD2-CG 4.27Å; L22-L26 WeakPolarHBondContact O-CG 3.41Å; L22-L26 PolarHBondContact O-N 3.07Å; V23-L26 PolarHBondContact O-N 3.43Å; L26-S30 VanDerWaalsContact O-CB 3.23Å; L26-S30 WeakPolarHBondContact O-CB 3.4Å; L26-S30 PolarHBondContact O-N 2.98Å; L26-S30 PolarHBondContact O-OG 2.9Å
27	I	79.7	Confident	68.2	Low	88 Å²	88	116.1 Å²	116.1	45%	0.451	56%	0.564	S	S	.	*	H	α-helix	trans	-66.4	-46.9	174.5	-67.8	168.7	0	0	0	109.7	V23 F24 F29 S30 V31	V23-I27 HydrophobicContact CG1-CD1 3.7Å; V23-I27 HydrophobicContact CG1-CG1 4.37Å; V23-I27 WeakPolarHBondContact O-CB 3.44Å; V23-I27 VanDerWaalsContact O-CG1 3.26Å; V23-I27 WeakPolarHBondContact O-CG1 3.42Å; V23-I27 PolarHBondContact O-N 3.47Å; F24-I27 PolarHBondContact O-N 2.87Å; I27-F29 VanDerWaalsContact C-N 3.34Å; I27-F29 PolarHBondContact O-N 3.29Å; I27-S30 PolarHBondContact O-N 2.72Å; I27-V31 HydrophobicContact CG2-CG2 4.1Å; I27-V31 VanDerWaalsContact O-CB 3.28Å; I27-V31 WeakPolarHBondContact O-CB 3.42Å; I27-V31 WeakPolarHBondContact O-CG2 3.47Å; I27-V31 PolarHBondContact O-N 2.79Å
28	T	73.5	Confident	67.3	Low	74 Å²	74	113.4 Å²	113.4	45%	0.454	57%	0.567	S	S	.	*	H	α-helix	trans	-64.9	-38.3	177.4	52.4	0	0	0	0	111.7	F24 S25 V31 L32	F24-T28 WeakPolarHBondContact O-CB 3.24Å; F24-T28 WeakPolarHBondContact O-CG2 3.48Å; F24-T28 PolarHBondContact O-N 3.19Å; F24-T28 PolarHBondContact O-OG1 3.37Å; S25-T28 WeakPolarHBondContact CA-OG1 3.37Å; S25-T28 PolarHBondContact O-OG1 3.04Å; T28-V31 PolarHBondContact O-N 2.68Å; T28-L32 WeakPolarHBondContact O-CB 3.12Å; T28-L32 WeakPolarHBondContact O-CD1 3.34Å; T28-L32 VanDerWaalsContact O-CG 3.23Å; T28-L32 WeakPolarHBondContact O-CG 3.38Å; T28-L32 PolarHBondContact O-N 3.26Å
29	F	71	Confident	66.2	Low	136 Å²	136	113.5 Å²	113.5	60%	0.596	57%	0.574	S	S	*	*	H	α-helix	trans	-65.6	-40.2	174	-163.3	-94.1	0	0	0	111.8	S25 I27 L32 R33	S25-F29 WeakPolarHBondContact O-CB 3.34Å; S25-F29 PolarHBondContact O-N 2.61Å; I27-F29 VanDerWaalsContact C-N 3.34Å; I27-F29 PolarHBondContact O-N 3.29Å; F29-L32 PolarHBondContact O-N 3.3Å; F29-R33 WeakPolarHBondContact O-CB 3.21Å; F29-R33 PolarHBondContact O-N 3.16Å
30	S	67.6	Low	64.9	Low	59 Å²	59	115.1 Å²	115.1	41%	0.413	58%	0.581	S	S	.	*	H	α-helix	trans	-66.7	-43.5	175.8	-58.1	0	0	0	0	111.5	L26 I27 R33 I34	L26-S30 VanDerWaalsContact O-CB 3.23Å; L26-S30 WeakPolarHBondContact O-CB 3.4Å; L26-S30 PolarHBondContact O-N 2.98Å; L26-S30 PolarHBondContact O-OG 2.9Å; I27-S30 PolarHBondContact O-N 2.72Å; S30-R33 PolarHBondContact O-N 2.59Å; S30-I34 WeakPolarHBondContact O-CB 3.3Å; S30-I34 WeakPolarHBondContact O-CD1 3.46Å; S30-I34 WeakPolarHBondContact O-CG1 3.43Å; S30-I34 PolarHBondContact O-N 3.35Å
31	V	66.8	Low	64	Low	66 Å²	66	115.7 Å²	115.7	40%	0.4	58%	0.584	S	S	.	*	H	α-helix	trans	-66.2	-39.1	176.1	171.2	0	0	0	0	110.8	I27 T28 R33 I34 H35	I27-V31 HydrophobicContact CG2-CG2 4.1Å; I27-V31 VanDerWaalsContact O-CB 3.28Å; I27-V31 WeakPolarHBondContact O-CB 3.42Å; I27-V31 WeakPolarHBondContact O-CG2 3.47Å; I27-V31 PolarHBondContact O-N 2.79Å; T28-V31 PolarHBondContact O-N 2.68Å; V31-R33 VanDerWaalsContact C-N 3.35Å; V31-I34 PolarHBondContact O-N 2.74Å; V31-H35 VanDerWaalsContact O-CB 3.28Å; V31-H35 WeakPolarHBondContact O-CB 3.29Å; V31-H35 PolarHBondContact O-CD2 3.26Å; V31-H35 PolarHBondContact O-N 2.9Å
32	L	60.8	Low	63.4	Low	118 Å²	118	115.2 Å²	115.2	62%	0.618	59%	0.585	S	S	*	*	H	α-helix	trans	-64.8	-36.7	172.8	-81.7	163.4	0	0	0	112.1	T28 F29 H35 Q36	T28-L32 WeakPolarHBondContact O-CB 3.12Å; T28-L32 WeakPolarHBondContact O-CD1 3.34Å; T28-L32 VanDerWaalsContact O-CG 3.23Å; T28-L32 WeakPolarHBondContact O-CG 3.38Å; T28-L32 PolarHBondContact O-N 3.26Å; F29-L32 PolarHBondContact O-N 3.3Å; L32-H35 CarbonylContact O-C 3.47Å; L32-H35 PolarHBondContact O-N 3.45Å; L32-Q36 PolarHBondContact O-N 3.16Å
33	R	59.8	Low	63.4	Low	185 Å²	185	111.1 Å²	111.1	70%	0.698	56%	0.564	S	S	*	*	H	α-helix	trans	-70.3	-36.9	173.8	-134.9	-176.5	-170.5	-169.7	2.7	112.2	F29 S30 V31 H35	F29-R33 WeakPolarHBondContact O-CB 3.21Å; F29-R33 PolarHBondContact O-N 3.16Å; S30-R33 PolarHBondContact O-N 2.59Å; V31-R33 VanDerWaalsContact C-N 3.35Å; R33-H35 VanDerWaalsContact C-N 3.34Å
34	I	57.6	Low	63.2	Low	133 Å²	133	118.7 Å²	118.7	68%	0.682	59%	0.587	S	S	*	*	H	α-helix	trans	-72.5	-29.2	175.6	-67.3	162.3	0	0	0	111.1	S30 V31	S30-I34 WeakPolarHBondContact O-CB 3.3Å; S30-I34 WeakPolarHBondContact O-CD1 3.46Å; S30-I34 WeakPolarHBondContact O-CG1 3.43Å; S30-I34 PolarHBondContact O-N 3.35Å; V31-I34 PolarHBondContact O-N 2.74Å
35	H	49.6	Very low	63.5	Low	143 Å²	143	117.9 Å²	117.9	66%	0.662	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.7	10.3	176.3	-80.5	-68.7	0	0	0	114.7	V31 L32 R33 K37	V31-H35 VanDerWaalsContact O-CB 3.28Å; V31-H35 WeakPolarHBondContact O-CB 3.29Å; V31-H35 PolarHBondContact O-CD2 3.26Å; V31-H35 PolarHBondContact O-N 2.9Å; L32-H35 CarbonylContact O-C 3.47Å; L32-H35 PolarHBondContact O-N 3.45Å; R33-H35 VanDerWaalsContact C-N 3.34Å; H35-K37 PolarHBondContact O-N 2.84Å
36	Q	46.5	Very low	64.1	Low	148 Å²	148	116 Å²	116	69%	0.692	57%	0.57	S	S	*	*			trans	-62.3	95.8	156.8	-91	-176.8	-38.8	0	0	106.1	L32	L32-Q36 PolarHBondContact O-N 3.16Å
37	K	41.1	Very low	64.7	Low	184 Å²	184	112.9 Å²	112.9	80%	0.8	55%	0.553	S	S	*	*			trans	-45.4	135.9	167	-77.6	179.3	174.1	179.1	0	106.8	H35 E39	H35-K37 PolarHBondContact O-N 2.84Å; K37-E39 PolarHBondContact O-N 3.17Å
38	P	46	Very low	65.2	Low	113 Å²	113	108.9 Å²	108.9	73%	0.734	53%	0.532	S	S	*	.			trans	-51	122.2	169.4	22.4	-30.4	0	0	0	106.3	F40	P38-F40 PolarHBondContact O-N 3.06Å
39	E	43.5	Very low	65.2	Low	178 Å²	178	108.8 Å²	108.8	83%	0.832	54%	0.539	S	S	*	.			trans	-50.2	116.5	167.9	-104.3	-179.3	157.2	0	0	105.4	K37 V41	K37-E39 PolarHBondContact O-N 3.17Å; E39-V41 PolarHBondContact O-N 3.24Å
40	F	47.6	Very low	64.9	Low	178 Å²	178	105 Å²	105	78%	0.781	54%	0.538	S	S	*	.			trans	-66.9	91.1	177.7	-133.9	-88	0	0	0	105.3	P38 S42	P38-F40 PolarHBondContact O-N 3.06Å; F40-S42 PolarHBondContact O-N 3.23Å
41	V	54.6	Low	64.7	Low	88 Å²	88	105.3 Å²	105.3	53%	0.533	53%	0.533	S	S	.	.			trans	-61.6	109.1	179.2	-178.9	0	0	0	0	105.9	E39 V43	E39-V41 PolarHBondContact O-N 3.24Å; V41-V43 VanDerWaalsContact C-N 3.26Å; V41-V43 HydrophobicContact CB-CG1 4.42Å; V41-V43 HydrophobicContact CG1-CG1 3.87Å; V41-V43 PolarHBondContact O-N 3.18Å
42	S	66.1	Low	64.4	Low	82 Å²	82	104.2 Å²	104.2	57%	0.573	53%	0.525	S	S	*	.			trans	-72.1	84.8	-179	-177.9	0	0	0	0	109.2	F40 R44 H45	F40-S42 PolarHBondContact O-N 3.23Å; S42-R44 PolarHBondContact O-N 2.96Å; S42-H45 PolarHBondContact O-CE1 3.22Å; S42-H45 PolarHBondContact O-ND1 3.23Å
43	V	80.5	Confident	63.9	Low	15 Å²	15	104.3 Å²	104.3	9%	0.091	53%	0.533	C	S	.	.	G	3₁₀ helix	trans	-79.2	1.4	-179.7	-65.9	0	0	0	0	113.9	V41 H45 L46 L423 L426	V41-V43 VanDerWaalsContact C-N 3.26Å; V41-V43 HydrophobicContact CB-CG1 4.42Å; V41-V43 HydrophobicContact CG1-CG1 3.87Å; V41-V43 PolarHBondContact O-N 3.18Å; V43-H45 PolarHBondContact O-N 2.85Å; V43-H45 VanDerWaalsContact O-N 3.13Å; V43-L46 HydrophobicContact CB-CD1 4.47Å; V43-L46 HydrophobicContact CG1-CD1 4.48Å; V43-L46 WeakPolarHBondContact O-CB 3.45Å; V43-L46 PolarHBondContact O-N 2.7Å; V43-L423 HydrophobicContact CB-CD2 4.17Å; V43-L423 HydrophobicContact CG2-CB 4.3Å; V43-L426 HydrophobicContact CG1-CD1 3.72Å
44	R	78.4	Confident	63.5	Low	213 Å²	213	98.5 Å²	98.5	80%	0.804	52%	0.521	S	S	*	.	G	3₁₀ helix	trans	-57	-30.7	179.3	-71.2	-172.1	-179	-176.5	0.7	113.2	S42 L46 E47	S42-R44 PolarHBondContact O-N 2.96Å; R44-L46 PolarHBondContact O-N 2.89Å; R44-E47 WeakPolarHBondContact O-CB 3.46Å; R44-E47 PolarHBondContact O-N 3.09Å
45	H	85.8	Confident	63.8	Low	117 Å²	117	93 Å²	93	54%	0.542	49%	0.494	S	S	.	.	G	3₁₀ helix	trans	-67.3	-16.2	178.3	71.5	-83.4	0	0	0	113.4	S42 V43 K108	S42-H45 PolarHBondContact O-CE1 3.22Å; S42-H45 PolarHBondContact O-ND1 3.23Å; V43-H45 PolarHBondContact O-N 2.85Å; V43-H45 VanDerWaalsContact O-N 3.13Å; H45-K108 VanDerWaalsContact O-CD 3.3Å; H45-K108 WeakPolarHBondContact O-CD 3.38Å
46	L	90.3	Very high	65.4	Low	19 Å²	19	92.6 Å²	92.6	10%	0.099	50%	0.497	C	S	.	.	G	3₁₀ helix	trans	-93.3	-8.2	176.9	-59.8	171.5	0	0	0	112.7	V43 R44 K108 I110 R419 L423	V43-L46 HydrophobicContact CB-CD1 4.47Å; V43-L46 HydrophobicContact CG1-CD1 4.48Å; V43-L46 WeakPolarHBondContact O-CB 3.45Å; V43-L46 PolarHBondContact O-N 2.7Å; R44-L46 PolarHBondContact O-N 2.89Å; L46-K108 HydrophobicContact CD2-CB 4.4Å; L46-I110 HydrophobicContact CD1-CG1 4.37Å; L46-R419 WeakPolarHBondContact O-CD 3.48Å; L46-R419 WeakPolarHBondContact O-CG 3.26Å; L46-R419 PolarHBondContact O-NH1 2.85Å; L46-L423 HydrophobicContact CB-CD1 3.78Å; L46-L423 HydrophobicContact CB-CD2 4.41Å; L46-L423 HydrophobicContact CD1-CD2 4.27Å
47	E	91.4	Very high	67.5	Low	34 Å²	34	86.7 Å²	86.7	16%	0.159	47%	0.469	C	S	.	.			trans	-65.2	140.3	175.5	-72.2	-77.8	-162.4	0	0	110.7	R44 K108 H420 L423	R44-E47 WeakPolarHBondContact O-CB 3.46Å; R44-E47 PolarHBondContact O-N 3.09Å; E47-K108 WeakPolarHBondContact O-CD 3.35Å; E47-K108 WeakPolarHBondContact O-CE 3.4Å; E47-K108 PolarHBondContact O-NZ 2.92Å; E47-H420 IonicContact OE1-CE1 2.99Å; E47-H420 IonicContact OE1-CG 3.88Å; E47-H420 IonicContact OE1-ND1 3.3Å; E47-H420 PolarHBondContact OE1-ND1 2.9Å; E47-H420 IonicContact OE2-ND1 3.1Å; E47-L423 HydrophobicContact CG-CD1 4.13Å
48	L	89.8	Confident	70	Confident	3 Å²	3	81.2 Å²	81.2	2%	0.016	45%	0.449	C	S	.	.			trans	-92.4	-10.1	179.9	-62.6	-179.7	0	0	0	113.1	G50 E51 K108 D415 E416 R419	L48-G50 PolarHBondContact O-N 3.06Å; L48-E51 VanDerWaalsContact CD2-OE1 3.29Å; L48-E51 WeakPolarHBondContact CD2-OE1 3.36Å; L48-E51 WeakPolarHBondContact O-CG 3.44Å; L48-E51 PolarHBondContact O-N 3.12Å; L48-K108 HydrophobicContact CD2-CB 4.36Å; L48-K108 HydrophobicContact CD2-CD 4.02Å; L48-D415 HydrophobicContact CD1-CB 4.16Å; L48-D415 VanDerWaalsContact CD1-OD1 3.28Å; L48-D415 WeakPolarHBondContact CD1-OD1 3.42Å; L48-D415 VanDerWaalsContact CD1-OD2 3.32Å; L48-D415 WeakPolarHBondContact CD1-OD2 3.16Å; L48-E416 HydrophobicContact CB-CG 3.93Å; L48-R419 HydrophobicContact CD1-CB 3.94Å; L48-R419 HydrophobicContact CD1-CG 4.35Å; L48-R419 HydrophobicContact CG-CB 4.05Å; L48-R419 HydrophobicContact CG-CG 3.96Å
49	A	75.1	Confident	72.3	Confident	72 Å²	72	76.3 Å²	76.3	60%	0.595	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	125.5	179.6	0	0	0	0	0	111.2
50	G	63.4	Low	74.8	Confident	56 Å²	56	72 Å²	72	58%	0.577	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.7	12.3	177.2	0	0	0	0	0	116	L48 N52	L48-G50 PolarHBondContact O-N 3.06Å; G50-N52 PolarHBondContact O-N 3.13Å
51	E	63.9	Low	77.1	Confident	67 Å²	67	67.6 Å²	67.6	31%	0.313	38%	0.384	S	S	.	.	S	Bend	trans	-62.1	-23.1	171.6	-81	-168.7	175.6	0	0	113.3	L48 P53 K108 R141	L48-E51 VanDerWaalsContact CD2-OE1 3.29Å; L48-E51 WeakPolarHBondContact CD2-OE1 3.36Å; L48-E51 WeakPolarHBondContact O-CG 3.44Å; L48-E51 PolarHBondContact O-N 3.12Å; E51-P53 WeakPolarHBondContact O-CD 3.5Å; E51-K108 VanDerWaalsContact OE1-CD 3.25Å; E51-K108 WeakPolarHBondContact OE1-CD 3.49Å; E51-K108 VanDerWaalsContact OE1-CE 3.24Å; E51-K108 WeakPolarHBondContact OE1-CE 3.48Å; E51-K108 IonicContact OE1-NZ 2.88Å; E51-K108 PolarHBondContact OE1-NZ 3.01Å; E51-R141 IonicContact OE1-NH1 2.84Å; E51-R141 IonicContact OE2-CZ 3.62Å; E51-R141 IonicContact OE2-NH1 3.32Å; E51-R141 PolarHBondContact OE2-NH1 2.91Å; E51-R141 IonicContact OE2-NH2 2.83Å; E51-R141 PolarHBondContact OE2-NH2 2.64Å
52	N	61.4	Low	79.1	Confident	42 Å²	42	63.4 Å²	63.4	23%	0.225	36%	0.359	C	S	.	.			trans	-122.1	78	174.7	-159.6	1.3	0	0	0	111.1	G50 S54 S55	G50-N52 PolarHBondContact O-N 3.13Å; N52-S54 PolarHBondContact O-N 2.67Å; N52-S54 PolarHBondContact OD1-OG 2.89Å; N52-S55 PolarHBondContact O-N 2.85Å; N52-S55 PolarHBondContact O-OG 2.94Å
53	P	50.4	Low	80.6	Confident	120 Å²	120	60.9 Å²	60.9	78%	0.779	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-1.4	-178.3	27.4	-33.6	0	0	0	113.5	E51	E51-P53 WeakPolarHBondContact O-CD 3.5Å
54	S	51.2	Low	81.4	Confident	64 Å²	64	66.6 Å²	66.6	45%	0.448	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-11.9	-177.4	74.9	0	0	0	0	114.5	N52	N52-S54 PolarHBondContact O-N 2.67Å; N52-S54 PolarHBondContact OD1-OG 2.89Å
55	S	63.9	Low	82.2	Confident	17 Å²	17	57.8 Å²	57.8	12%	0.119	34%	0.34	C	S	.	.			trans	-119.7	118.7	-178.8	64.9	0	0	0	0	111.5	N52 I57 F409	N52-S55 PolarHBondContact O-N 2.85Å; N52-S55 PolarHBondContact O-OG 2.94Å; S55-I57 PolarHBondContact O-N 2.86Å; S55-F409 VanDerWaalsContact CB-CE1 3.5Å; S55-F409 WeakPolarHBondContact OG-CE1 3.21Å
56	D	82.9	Confident	82.8	Confident	135 Å²	135	54.5 Å²	54.5	72%	0.722	33%	0.326	S	S	*	.			trans	-74.7	32.6	174.6	-175	39.6	0	0	0	112.1	K72	D56-K72 VanDerWaalsContact CG-NZ 3.31Å; D56-K72 WeakPolarHBondContact O-CE 3.44Å; D56-K72 PolarHBondContact O-NZ 3.44Å; D56-K72 IonicContact OD2-NZ 3.39Å; D56-K72 PolarHBondContact OD2-NZ 3.16Å
57	I	91.1	Very high	83.1	Confident	23 Å²	23	59 Å²	59	12%	0.118	35%	0.354	C	S	.	.			trans	-86.8	125.7	-177.1	-61.8	-54.4	0	0	0	109.8	S55 C59 V62 K72 V73 F409	S55-I57 PolarHBondContact O-N 2.86Å; I57-C59 PolarHBondContact O-N 3.34Å; I57-V62 HydrophobicContact CG2-CG2 4.12Å; I57-K72 HydrophobicContact CD1-CB 4.36Å; I57-K72 HydrophobicContact CD1-CD 3.92Å; I57-K72 HydrophobicContact CD1-CG 3.82Å; I57-V73 HydrophobicContact CB-CG2 4.41Å; I57-V73 HydrophobicContact CD1-CG2 3.74Å; I57-V73 HydrophobicContact CG1-CG2 4.05Å; I57-V73 HydrophobicContact CG2-CG2 3.48Å; I57-V73 VanDerWaalsContact CG2-CG2 3.48Å; I57-F409 HydrophobicContact CB-CD1 4.19Å; I57-F409 HydrophobicContact CB-CE1 4.23Å; I57-F409 HydrophobicContact CG1-CD1 3.97Å; I57-F409 HydrophobicContact CG1-CE1 3.71Å; I57-F409 HydrophobicContact CG1-CZ 3.99Å; I57-F409 HydrophobicContact CG2-CD1 4.24Å
58	N	93.4	Very high	83.4	Confident	69 Å²	69	63.4 Å²	63.4	37%	0.369	38%	0.379	S	S	.	.			trans	-91.5	98.4	176.7	-172.1	-41.7	0	0	0	111.2	T60 K61 V62 E69	N58-T60 VanDerWaalsContact C-N 3.27Å; N58-T60 PolarHBondContact O-N 3.03Å; N58-T60 WeakPolarHBondContact OD1-CB 3.48Å; N58-T60 PolarHBondContact OD1-N 3.46Å; N58-T60 VanDerWaalsContact OD1-N 3.09Å; N58-K61 HydrophobicContact CB-CB 4.27Å; N58-K61 HydrophobicContact CB-CD 4.28Å; N58-K61 HydrophobicContact CB-CG 4.32Å; N58-K61 PolarHBondContact O-N 3.06Å; N58-K61 VanDerWaalsContact O-N 3.11Å; N58-K61 PolarHBondContact OD1-N 3.31Å; N58-K61 VanDerWaalsContact OD1-N 3.17Å; N58-V62 PolarHBondContact O-N 3.01Å; N58-V62 VanDerWaalsContact O-N 3.15Å; N58-E69 HydrophobicContact CB-CG 4.31Å; N58-E69 PolarHBondContact N-OE1 3.4Å
59	C	94.6	Very high	83.7	Confident	11 Å²	11	64 Å²	64	7%	0.074	38%	0.381	C	S	.	.	H	α-helix	trans	-60.3	-32.2	-179.3	-74.8	0	0	0	0	114	I57 K61 V62 L63 C413	I57-C59 PolarHBondContact O-N 3.34Å; C59-K61 VanDerWaalsContact C-N 3.32Å; C59-K61 PolarHBondContact O-N 3Å; C59-V62 PolarHBondContact O-N 3.26Å; C59-L63 WeakPolarHBondContact O-CB 3.38Å; C59-L63 VanDerWaalsContact O-CD1 3.29Å; C59-L63 WeakPolarHBondContact O-CD1 3.36Å; C59-L63 WeakPolarHBondContact O-CG 3.29Å; C59-L63 PolarHBondContact O-N 3Å; C59-C413 WeakPolarHBondContact CA-SG 3.35Å; C59-C413 HydrophobicContact CB-CB 3.5Å; C59-C413 VanDerWaalsContact CB-CB 3.5Å; C59-C413 WeakPolarHBondContact CB-SG 3.47Å; C59-C413 WeakPolarHBondContact SG-CA 3.41Å; C59-C413 WeakPolarHBondContact SG-CB 3.23Å; C59-C413 CovalentContact SG-SG 2.05Å; C59-C413 PolarHBondContact SG-SG 2.89Å
60	T	94.8	Very high	84.8	Confident	88 Å²	88	61.4 Å²	61.4	54%	0.54	36%	0.357	S	S	.	.	H	α-helix	trans	-60	-43.1	175.4	-53.3	0	0	0	0	111.6	N58 L63 Q64	N58-T60 VanDerWaalsContact C-N 3.27Å; N58-T60 PolarHBondContact O-N 3.03Å; N58-T60 WeakPolarHBondContact OD1-CB 3.48Å; N58-T60 PolarHBondContact OD1-N 3.46Å; N58-T60 VanDerWaalsContact OD1-N 3.09Å; T60-L63 PolarHBondContact O-N 3.45Å; T60-Q64 VanDerWaalsContact O-CG 3.26Å; T60-Q64 WeakPolarHBondContact O-CG 3.23Å; T60-Q64 PolarHBondContact O-N 2.86Å; T60-Q64 VanDerWaalsContact O-N 3.08Å
61	K	96.8	Very high	86.3	Confident	85 Å²	85	63.3 Å²	63.3	37%	0.37	35%	0.351	S	S	.	.	H	α-helix	trans	-67.9	-40.9	176.9	-75.8	-172.7	177.2	-174.5	0	112.6	N58 C59 L63 Q64 G65 D66 E69	N58-K61 HydrophobicContact CB-CB 4.27Å; N58-K61 HydrophobicContact CB-CD 4.28Å; N58-K61 HydrophobicContact CB-CG 4.32Å; N58-K61 PolarHBondContact O-N 3.06Å; N58-K61 VanDerWaalsContact O-N 3.11Å; N58-K61 PolarHBondContact OD1-N 3.31Å; N58-K61 VanDerWaalsContact OD1-N 3.17Å; C59-K61 VanDerWaalsContact C-N 3.32Å; C59-K61 PolarHBondContact O-N 3Å; K61-L63 VanDerWaalsContact C-N 3.33Å; K61-L63 PolarHBondContact O-N 3.11Å; K61-Q64 PolarHBondContact O-N 2.66Å; K61-Q64 VanDerWaalsContact O-N 3.14Å; K61-G65 PolarHBondContact O-N 3.21Å; K61-D66 HydrophobicContact CB-CB 3.88Å; K61-D66 WeakPolarHBondContact O-CB 3.49Å; K61-D66 PolarHBondContact O-N 3.24Å; K61-E69 HydrophobicContact CB-CB 3.83Å; K61-E69 HydrophobicContact CB-CG 3.83Å; K61-E69 HydrophobicContact CD-CB 4.41Å; K61-E69 HydrophobicContact CD-CG 4.46Å
62	V	96.9	Very high	87.8	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-56.2	-49.8	173.2	172.3	0	0	0	0	110.4	I57 N58 C59 Q64 G65 E69 V73 A385 L388	I57-V62 HydrophobicContact CG2-CG2 4.12Å; N58-V62 PolarHBondContact O-N 3.01Å; N58-V62 VanDerWaalsContact O-N 3.15Å; C59-V62 PolarHBondContact O-N 3.26Å; V62-Q64 PolarHBondContact O-N 2.98Å; V62-G65 PolarHBondContact O-N 3.19Å; V62-E69 HydrophobicContact CG2-CB 4.39Å; V62-E69 HydrophobicContact CG2-CG 3.84Å; V62-V73 HydrophobicContact CG2-CG2 4.04Å; V62-A385 HydrophobicContact CG1-CB 3.8Å; V62-A385 WeakPolarHBondContact CG1-O 3.45Å; V62-L388 HydrophobicContact CG1-CD1 4.11Å
63	L	96.8	Very high	89.4	Confident	28 Å²	28	61.6 Å²	61.6	15%	0.147	34%	0.341	C	S	.	.	H	α-helix	trans	-65.7	-23.5	-179.8	-63.9	162.2	0	0	0	112.7	C59 T60 K61 G65 L388 N389 L392 H417	C59-L63 WeakPolarHBondContact O-CB 3.38Å; C59-L63 VanDerWaalsContact O-CD1 3.29Å; C59-L63 WeakPolarHBondContact O-CD1 3.36Å; C59-L63 WeakPolarHBondContact O-CG 3.29Å; C59-L63 PolarHBondContact O-N 3Å; T60-L63 PolarHBondContact O-N 3.45Å; K61-L63 VanDerWaalsContact C-N 3.33Å; K61-L63 PolarHBondContact O-N 3.11Å; L63-G65 VanDerWaalsContact C-N 3.34Å; L63-L388 HydrophobicContact CD2-CB 4.24Å; L63-L388 HydrophobicContact CD2-CD1 4.02Å; L63-N389 WeakPolarHBondContact O-CB 3.45Å; L63-N389 PolarHBondContact O-ND2 3.28Å; L63-L392 HydrophobicContact CD2-CD1 3.41Å; L63-L392 VanDerWaalsContact CD2-CD1 3.41Å; L63-H417 HydrophobicContact CD1-CB 3.66Å; L63-H417 HydrophobicContact CD2-CB 4.32Å
64	Q	97.3	Very high	91.5	Very high	135 Å²	135	59.4 Å²	59.4	63%	0.631	32%	0.319	S	S	*	.	H	α-helix	trans	-82.4	-9.4	173.1	-73.4	170.7	-7.1	0	0	113.4	T60 K61 V62 N389	T60-Q64 VanDerWaalsContact O-CG 3.26Å; T60-Q64 WeakPolarHBondContact O-CG 3.23Å; T60-Q64 PolarHBondContact O-N 2.86Å; T60-Q64 VanDerWaalsContact O-N 3.08Å; K61-Q64 PolarHBondContact O-N 2.66Å; K61-Q64 VanDerWaalsContact O-N 3.14Å; V62-Q64 PolarHBondContact O-N 2.98Å; Q64-N389 WeakPolarHBondContact CA-ND2 3.37Å; Q64-N389 PolarHBondContact O-ND2 3.02Å
65	G	96.3	Very high	93.5	Very high	28 Å²	28	61.2 Å²	61.2	29%	0.289	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.9	25.9	-177.5	0	0	0	0	0	113.3	K61 V62 L63 V67	K61-G65 PolarHBondContact O-N 3.21Å; V62-G65 PolarHBondContact O-N 3.19Å; L63-G65 VanDerWaalsContact C-N 3.34Å; G65-V67 PolarHBondContact O-N 2.92Å
66	D	98	Very high	94.9	Very high	49 Å²	49	62.8 Å²	62.8	26%	0.262	33%	0.328	S	S	.	.			trans	-64.3	115.4	176.7	-175.7	-74.4	0	0	0	110.4	K61 N68 E69 I70	K61-D66 HydrophobicContact CB-CB 3.88Å; K61-D66 WeakPolarHBondContact O-CB 3.49Å; K61-D66 PolarHBondContact O-N 3.24Å; D66-N68 VanDerWaalsContact C-N 3.26Å; D66-N68 PolarHBondContact O-N 3.24Å; D66-N68 WeakPolarHBondContact OD1-CA 3.11Å; D66-N68 WeakPolarHBondContact OD1-CB 3.34Å; D66-N68 PolarHBondContact OD1-N 3.14Å; D66-E69 HydrophobicContact CB-CB 4.12Å; D66-E69 PolarHBondContact O-N 3.12Å; D66-E69 PolarHBondContact OD1-N 2.95Å; D66-I70 WeakPolarHBondContact O-CD1 3.48Å; D66-I70 VanDerWaalsContact O-CG1 3.3Å; D66-I70 WeakPolarHBondContact O-CG1 3.48Å; D66-I70 PolarHBondContact O-N 3.28Å
67	V	96.7	Very high	95.3	Very high	113 Å²	113	57.6 Å²	57.6	69%	0.685	30%	0.3	S	S	*	.	H	α-helix	trans	-61.9	-35.4	-174.9	179.4	0	0	0	0	111.8	G65 Q71	G65-V67 PolarHBondContact O-N 2.92Å; V67-Q71 WeakPolarHBondContact O-CB 3.48Å; V67-Q71 PolarHBondContact O-N 3.4Å
68	N	97	Very high	95.3	Very high	126 Å²	126	62 Å²	62	67%	0.674	32%	0.324	S	S	*	.	H	α-helix	trans	-71.9	-41.8	-178.3	-60.5	-49.1	0	0	0	110.8	D66 Q71 K72	D66-N68 VanDerWaalsContact C-N 3.26Å; D66-N68 PolarHBondContact O-N 3.24Å; D66-N68 WeakPolarHBondContact OD1-CA 3.11Å; D66-N68 WeakPolarHBondContact OD1-CB 3.34Å; D66-N68 PolarHBondContact OD1-N 3.14Å; N68-Q71 PolarHBondContact O-N 2.67Å; N68-K72 WeakPolarHBondContact O-CB 3.33Å; N68-K72 PolarHBondContact O-N 3.47Å
69	E	96.9	Very high	95.2	Very high	15 Å²	15	60.9 Å²	60.9	7%	0.07	32%	0.32	C	S	.	.	H	α-helix	trans	-68.5	-39.9	177.8	-156.8	71.4	-152.4	0	0	111.4	N58 K61 V62 D66 Q71 K72 V73	N58-E69 HydrophobicContact CB-CG 4.31Å; N58-E69 PolarHBondContact N-OE1 3.4Å; K61-E69 HydrophobicContact CB-CB 3.83Å; K61-E69 HydrophobicContact CB-CG 3.83Å; K61-E69 HydrophobicContact CD-CB 4.41Å; K61-E69 HydrophobicContact CD-CG 4.46Å; V62-E69 HydrophobicContact CG2-CB 4.39Å; V62-E69 HydrophobicContact CG2-CG 3.84Å; D66-E69 HydrophobicContact CB-CB 4.12Å; D66-E69 PolarHBondContact O-N 3.12Å; D66-E69 PolarHBondContact OD1-N 2.95Å; E69-Q71 VanDerWaalsContact C-N 3.33Å; E69-Q71 PolarHBondContact O-N 3.21Å; E69-K72 WeakPolarHBondContact O-CB 3.25Å; E69-K72 PolarHBondContact O-N 2.95Å; E69-V73 WeakPolarHBondContact O-CG2 3.36Å; E69-V73 PolarHBondContact O-N 2.91Å
70	I	96.5	Very high	95	Very high	18 Å²	18	65.1 Å²	65.1	9%	0.092	35%	0.345	C	S	.	.	H	α-helix	trans	-62	-42.4	173.6	-68	163	0	0	0	110.5	D66 K72 V73 K74	D66-I70 WeakPolarHBondContact O-CD1 3.48Å; D66-I70 VanDerWaalsContact O-CG1 3.3Å; D66-I70 WeakPolarHBondContact O-CG1 3.48Å; D66-I70 PolarHBondContact O-N 3.28Å; I70-K72 VanDerWaalsContact C-N 3.34Å; I70-K72 PolarHBondContact O-N 3.29Å; I70-V73 WeakPolarHBondContact O-CB 3.21Å; I70-V73 PolarHBondContact O-N 2.94Å; I70-K74 WeakPolarHBondContact O-CG 3.35Å; I70-K74 PolarHBondContact O-N 3.02Å
71	Q	96.3	Very high	94.7	Very high	97 Å²	97	67.5 Å²	67.5	45%	0.453	35%	0.348	S	S	.	.	H	α-helix	trans	-65.4	-38.4	175.8	-173.6	62.3	15.5	0	0	111.9	V67 N68 E69 V73 K74 L75	V67-Q71 WeakPolarHBondContact O-CB 3.48Å; V67-Q71 PolarHBondContact O-N 3.4Å; N68-Q71 PolarHBondContact O-N 2.67Å; E69-Q71 VanDerWaalsContact C-N 3.33Å; E69-Q71 PolarHBondContact O-N 3.21Å; Q71-V73 VanDerWaalsContact C-N 3.34Å; Q71-V73 PolarHBondContact O-N 3.4Å; Q71-K74 PolarHBondContact O-N 3.02Å; Q71-L75 WeakPolarHBondContact O-CG 3.45Å; Q71-L75 PolarHBondContact O-N 3.45Å
72	K	95.4	Very high	94.3	Very high	72 Å²	72	64.2 Å²	64.2	31%	0.313	33%	0.334	S	S	.	.	H	α-helix	trans	-59.4	-44.4	173.8	-171.8	-174.3	-176	179.4	0	111.3	D56 I57 N68 E69 I70 L75 E76	D56-K72 VanDerWaalsContact CG-NZ 3.31Å; D56-K72 WeakPolarHBondContact O-CE 3.44Å; D56-K72 PolarHBondContact O-NZ 3.44Å; D56-K72 IonicContact OD2-NZ 3.39Å; D56-K72 PolarHBondContact OD2-NZ 3.16Å; I57-K72 HydrophobicContact CD1-CB 4.36Å; I57-K72 HydrophobicContact CD1-CD 3.92Å; I57-K72 HydrophobicContact CD1-CG 3.82Å; N68-K72 WeakPolarHBondContact O-CB 3.33Å; N68-K72 PolarHBondContact O-N 3.47Å; E69-K72 WeakPolarHBondContact O-CB 3.25Å; E69-K72 PolarHBondContact O-N 2.95Å; I70-K72 VanDerWaalsContact C-N 3.34Å; I70-K72 PolarHBondContact O-N 3.29Å; K72-L75 PolarHBondContact O-N 3.2Å; K72-E76 PolarHBondContact O-N 3.41Å
73	V	94.7	Very high	93.8	Very high	1 Å²	1	70.8 Å²	70.8	1%	0.006	36%	0.362	C	S	.	.	H	α-helix	trans	-57.5	-49.9	173.6	167.8	0	0	0	0	111.3	I57 V62 E69 I70 Q71 L75 E76 I77 A385 F409	I57-V73 HydrophobicContact CB-CG2 4.41Å; I57-V73 HydrophobicContact CD1-CG2 3.74Å; I57-V73 HydrophobicContact CG1-CG2 4.05Å; I57-V73 HydrophobicContact CG2-CG2 3.48Å; I57-V73 VanDerWaalsContact CG2-CG2 3.48Å; V62-V73 HydrophobicContact CG2-CG2 4.04Å; E69-V73 WeakPolarHBondContact O-CG2 3.36Å; E69-V73 PolarHBondContact O-N 2.91Å; I70-V73 WeakPolarHBondContact O-CB 3.21Å; I70-V73 PolarHBondContact O-N 2.94Å; Q71-V73 VanDerWaalsContact C-N 3.34Å; Q71-V73 PolarHBondContact O-N 3.4Å; V73-L75 VanDerWaalsContact C-N 3.25Å; V73-L75 PolarHBondContact O-N 2.82Å; V73-E76 PolarHBondContact O-N 2.98Å; V73-E76 VanDerWaalsContact O-N 3.13Å; V73-I77 HydrophobicContact CG1-CD1 3.69Å; V73-I77 HydrophobicContact CG1-CG1 4.37Å; V73-I77 WeakPolarHBondContact O-CG1 3.48Å; V73-I77 PolarHBondContact O-N 3.03Å; V73-A385 HydrophobicContact CB-CB 4.34Å; V73-A385 HydrophobicContact CG1-CB 3.71Å; V73-A385 HydrophobicContact CG2-CB 4.39Å; V73-F409 HydrophobicContact CG1-CB 3.79Å; V73-F409 HydrophobicContact CG1-CD2 3.65Å; V73-F409 HydrophobicContact CG1-CG 4.01Å; V73-F409 HydrophobicContact CG2-CB 4.29Å; V73-F409 HydrophobicContact CG2-CG 4.4Å
74	K	94.2	Very high	93.5	Very high	74 Å²	74	77.5 Å²	77.5	32%	0.322	39%	0.39	S	S	.	.	H	α-helix	trans	-57.4	-39.5	179	-71.9	179.9	-179.6	-179.8	0	111.9	I70 Q71 L78 D373	I70-K74 WeakPolarHBondContact O-CG 3.35Å; I70-K74 PolarHBondContact O-N 3.02Å; Q71-K74 PolarHBondContact O-N 3.02Å; K74-L78 WeakPolarHBondContact O-CG 3.33Å; K74-D373 WeakPolarHBondContact CE-OD1 3.41Å; K74-D373 IonicContact NZ-OD1 3.43Å; K74-D373 PolarHBondContact NZ-OD1 3.26Å
75	L	93.9	Very high	93.1	Very high	101 Å²	101	73.5 Å²	73.5	53%	0.529	37%	0.369	S	S	.	.	H	α-helix	trans	-69.2	-43	176.1	-67.6	172.8	0	0	0	112.3	Q71 K72 V73 I77 L78	Q71-L75 WeakPolarHBondContact O-CG 3.45Å; Q71-L75 PolarHBondContact O-N 3.45Å; K72-L75 PolarHBondContact O-N 3.2Å; V73-L75 VanDerWaalsContact C-N 3.25Å; V73-L75 PolarHBondContact O-N 2.82Å; L75-I77 PolarHBondContact O-N 2.79Å; L75-L78 PolarHBondContact O-N 3.38Å
76	E	92.5	Very high	92.7	Very high	50 Å²	50	78.4 Å²	78.4	23%	0.234	40%	0.396	C	S	.	.	H	α-helix	trans	-61.6	-42.4	-179.7	-174.7	59.6	-155.6	0	0	111.8	K72 V73 L78 T79 F82 F409	K72-E76 PolarHBondContact O-N 3.41Å; V73-E76 PolarHBondContact O-N 2.98Å; V73-E76 VanDerWaalsContact O-N 3.13Å; E76-L78 PolarHBondContact O-N 2.98Å; E76-T79 WeakPolarHBondContact O-CB 3.49Å; E76-T79 WeakPolarHBondContact O-CG2 3.36Å; E76-T79 PolarHBondContact O-N 3.43Å; E76-T79 PolarHBondContact O-OG1 3.28Å; E76-F82 VanDerWaalsContact O-CB 3.24Å; E76-F82 WeakPolarHBondContact O-CB 3.48Å; E76-F409 HydrophobicContact CB-CE2 4.14Å; E76-F409 HydrophobicContact CB-CZ 4.41Å; E76-F409 HydrophobicContact CG-CE2 3.88Å; E76-F409 HydrophobicContact CG-CZ 3.73Å
77	I	91.4	Very high	92.4	Very high	26 Å²	26	82.7 Å²	82.7	13%	0.133	41%	0.408	C	S	.	.	H	α-helix	trans	-59.5	-31.1	178	-66.9	166.1	0	0	0	111.9	V73 L75 T79 F82 D407 F409	V73-I77 HydrophobicContact CG1-CD1 3.69Å; V73-I77 HydrophobicContact CG1-CG1 4.37Å; V73-I77 WeakPolarHBondContact O-CG1 3.48Å; V73-I77 PolarHBondContact O-N 3.03Å; L75-I77 PolarHBondContact O-N 2.79Å; I77-T79 VanDerWaalsContact C-N 3.33Å; I77-F82 HydrophobicContact CB-CD1 4.41Å; I77-F82 HydrophobicContact CB-CE1 4.23Å; I77-F82 HydrophobicContact CG1-CE1 4.1Å; I77-F82 HydrophobicContact CG1-CZ 4.24Å; I77-F82 HydrophobicContact CG2-CD1 4.43Å; I77-F82 HydrophobicContact CG2-CE1 4.09Å; I77-F82 WeakPolarHBondContact O-CD1 3.2Å; I77-D407 HydrophobicContact CD1-CB 4.05Å; I77-D407 VanDerWaalsContact CD1-CG 3.41Å; I77-D407 WeakPolarHBondContact CD1-OD2 3.37Å; I77-F409 HydrophobicContact CD1-CD2 4.06Å; I77-F409 HydrophobicContact CG1-CD2 3.73Å; I77-F409 HydrophobicContact CG1-CE2 3.84Å
78	L	91.4	Very high	92.3	Very high	115 Å²	115	82.3 Å²	82.3	60%	0.602	40%	0.395	S	S	*	.	H	α-helix	trans	-78.2	-16.8	179.8	-65.7	174	0	0	0	113.2	K74 L75 E76	K74-L78 WeakPolarHBondContact O-CG 3.33Å; L75-L78 PolarHBondContact O-N 3.38Å; E76-L78 PolarHBondContact O-N 2.98Å
79	T	91.4	Very high	92.3	Very high	47 Å²	47	79.3 Å²	79.3	29%	0.288	38%	0.381	S	S	.	.	S	Bend	trans	-65.2	146.1	-176.1	71	0	0	0	0	112.2	E76 I77 K81 F82 K83	E76-T79 WeakPolarHBondContact O-CB 3.49Å; E76-T79 WeakPolarHBondContact O-CG2 3.36Å; E76-T79 PolarHBondContact O-N 3.43Å; E76-T79 PolarHBondContact O-OG1 3.28Å; I77-T79 VanDerWaalsContact C-N 3.33Å; T79-K81 VanDerWaalsContact C-N 3.25Å; T79-K81 PolarHBondContact O-N 3.34Å; T79-F82 PolarHBondContact O-N 2.8Å; T79-F82 WeakPolarHBondContact OG1-CB 3.49Å; T79-F82 PolarHBondContact OG1-N 3.48Å; T79-F82 VanDerWaalsContact OG1-N 3.11Å; T79-K83 WeakPolarHBondContact O-CG 3.5Å; T79-K83 PolarHBondContact O-N 3.17Å
80	V	90.1	Very high	92.3	Very high	99 Å²	99	79.9 Å²	79.9	60%	0.6	39%	0.386	S	S	*	.	H	α-helix	trans	-62.4	-37	175.3	177.8	0	0	0	0	111	K83 K84	V80-K83 PolarHBondContact O-N 3.14Å; V80-K84 HydrophobicContact CG1-CD 3.93Å; V80-K84 HydrophobicContact CG1-CG 4.29Å; V80-K84 WeakPolarHBondContact O-CB 3.25Å; V80-K84 WeakPolarHBondContact O-CG 3.3Å; V80-K84 PolarHBondContact O-N 2.97Å
81	K	88.7	Confident	92.4	Very high	139 Å²	139	83.8 Å²	83.8	60%	0.604	41%	0.407	S	S	*	.	H	α-helix	trans	-57.7	-49.3	176.9	-176.4	-171.1	174.1	-162.3	0	110.8	T79 K84 R85	T79-K81 VanDerWaalsContact C-N 3.25Å; T79-K81 PolarHBondContact O-N 3.34Å; K81-K84 CarbonylContact O-C 3.58Å; K81-K84 PolarHBondContact O-N 3.16Å; K81-R85 PolarHBondContact O-N 3.23Å
82	F	87.8	Confident	92.5	Very high	16 Å²	16	82.1 Å²	82.1	7%	0.07	40%	0.401	C	S	.	.	H	α-helix	trans	-67	-41.6	179.4	-178.2	-92.7	0	0	0	112.8	E76 I77 T79 K84 R85 L408 F409	E76-F82 VanDerWaalsContact O-CB 3.24Å; E76-F82 WeakPolarHBondContact O-CB 3.48Å; I77-F82 HydrophobicContact CB-CD1 4.41Å; I77-F82 HydrophobicContact CB-CE1 4.23Å; I77-F82 HydrophobicContact CG1-CE1 4.1Å; I77-F82 HydrophobicContact CG1-CZ 4.24Å; I77-F82 HydrophobicContact CG2-CD1 4.43Å; I77-F82 HydrophobicContact CG2-CE1 4.09Å; I77-F82 WeakPolarHBondContact O-CD1 3.2Å; T79-F82 PolarHBondContact O-N 2.8Å; T79-F82 WeakPolarHBondContact OG1-CB 3.49Å; T79-F82 PolarHBondContact OG1-N 3.48Å; T79-F82 VanDerWaalsContact OG1-N 3.11Å; F82-K84 VanDerWaalsContact C-N 3.27Å; F82-K84 PolarHBondContact O-N 2.9Å; F82-R85 VanDerWaalsContact CE1-NH1 3.3Å; F82-R85 WeakPolarHBondContact O-CB 3.37Å; F82-R85 WeakPolarHBondContact O-CD 3.26Å; F82-R85 VanDerWaalsContact O-CG 3.22Å; F82-R85 WeakPolarHBondContact O-CG 3.27Å; F82-R85 PolarHBondContact O-N 3.49Å; F82-R85 PolarHBondContact O-NH1 3.21Å; F82-L408 HydrophobicContact CE2-CB 4.19Å; F82-L408 HydrophobicContact CE2-CD2 4Å; F82-L408 HydrophobicContact CZ-CB 3.67Å; F82-L408 HydrophobicContact CZ-CD2 4.18Å; F82-F409 HydrophobicContact CD2-CE2 4Å; F82-F409 HydrophobicContact CD2-CZ 4Å; F82-F409 HydrophobicContact CE2-CD2 4.3Å; F82-F409 AromaticContact CE2-CE2 3.46Å; F82-F409 HydrophobicContact CE2-CE2 3.46Å; F82-F409 VanDerWaalsContact CE2-CE2 3.46Å; F82-F409 AromaticContact CE2-CZ 3.61Å; F82-F409 HydrophobicContact CE2-CZ 3.61Å; F82-F409 HydrophobicContact CZ-CD2 4.45Å; F82-F409 AromaticContact CZ-CE2 3.96Å; F82-F409 HydrophobicContact CZ-CE2 3.96Å; F82-F409 HydrophobicContact CZ-CZ 4.5Å
83	K	87.7	Confident	92.7	Very high	137 Å²	137	78.7 Å²	78.7	60%	0.596	39%	0.386	S	S	*	.	H	α-helix	trans	-64.7	-29.7	177.4	-71.4	-179.4	179.8	177.2	0	113.3	T79 V80	T79-K83 WeakPolarHBondContact O-CG 3.5Å; T79-K83 PolarHBondContact O-N 3.17Å; V80-K83 PolarHBondContact O-N 3.14Å
84	K	89.3	Confident	92.9	Very high	170 Å²	170	81.6 Å²	81.6	74%	0.739	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.9	13.8	177.6	-66.4	-171.9	176.8	-175.4	0	113.7	V80 K81 F82	V80-K84 HydrophobicContact CG1-CD 3.93Å; V80-K84 HydrophobicContact CG1-CG 4.29Å; V80-K84 WeakPolarHBondContact O-CB 3.25Å; V80-K84 WeakPolarHBondContact O-CG 3.3Å; V80-K84 PolarHBondContact O-N 2.97Å; K81-K84 CarbonylContact O-C 3.58Å; K81-K84 PolarHBondContact O-N 3.16Å; F82-K84 VanDerWaalsContact C-N 3.27Å; F82-K84 PolarHBondContact O-N 2.9Å
85	R	88.4	Confident	93.1	Very high	51 Å²	51	83.6 Å²	83.6	19%	0.192	42%	0.415	C	S	.	.			trans	-58.9	147.3	178.7	73.3	-172.7	-176	-86.1	4.3	110.9	K81 F82 R87 V404	K81-R85 PolarHBondContact O-N 3.23Å; F82-R85 VanDerWaalsContact CE1-NH1 3.3Å; F82-R85 WeakPolarHBondContact O-CB 3.37Å; F82-R85 WeakPolarHBondContact O-CD 3.26Å; F82-R85 VanDerWaalsContact O-CG 3.22Å; F82-R85 WeakPolarHBondContact O-CG 3.27Å; F82-R85 PolarHBondContact O-N 3.49Å; F82-R85 PolarHBondContact O-NH1 3.21Å; R85-R87 HydrophobicContact CG-CG 4.49Å; R85-R87 PolarHBondContact O-N 2.68Å; R85-V404 PolarHBondContact NH2-O 2.83Å
86	P	88.8	Confident	93.3	Very high	130 Å²	130	80.9 Å²	80.9	84%	0.844	40%	0.4	S	S	*	.			trans	-57.9	138.2	170.2	-21.8	33.3	0	0	0	110.7
87	R	90.9	Very high	93.5	Very high	139 Å²	139	79 Å²	79	53%	0.525	39%	0.392	S	S	.	.			trans	-126.2	141.5	173.5	-65.7	-172.6	-67.3	-179.9	3.1	108.1	R85 D405	R85-R87 HydrophobicContact CG-CG 4.49Å; R85-R87 PolarHBondContact O-N 2.68Å; R87-D405 IonicContact NH1-OD1 3.26Å; R87-D405 PolarHBondContact NH1-OD1 2.76Å; R87-D405 IonicContact NH1-OD2 2.66Å
88	W	94.1	Very high	93.8	Very high	106 Å²	106	82.5 Å²	82.5	40%	0.402	42%	0.419	S	S	.	.			trans	-74.5	136.5	174	-67.4	-52.8	0	0	0	110.7	D92 Y93 M96 E134	W88-D92 HydrophobicContact CB-CB 4.25Å; W88-Y93 HydrophobicContact CB-CD2 4.11Å; W88-Y93 HydrophobicContact CB-CE2 3.6Å; W88-Y93 HydrophobicContact CG-CE2 4.36Å; W88-M96 HydrophobicContact CD2-CE 4.46Å; W88-M96 HydrophobicContact CG-CE 4.28Å; W88-E134 HydrophobicContact CE3-CG 4.07Å
89	T	97.2	Very high	94.2	Very high	62 Å²	62	80.9 Å²	80.9	38%	0.38	41%	0.411	S	S	.	.			trans	-94.3	165.2	175.8	64.7	0	0	0	0	110.5	D91 D92 Y93	T89-D91 PolarHBondContact O-N 3.45Å; T89-D92 WeakPolarHBondContact CB-OD2 3.37Å; T89-D92 PolarHBondContact N-OD2 2.92Å; T89-D92 WeakPolarHBondContact O-CB 3.43Å; T89-D92 PolarHBondContact O-N 3.49Å; T89-D92 VanDerWaalsContact OG1-CG 3.26Å; T89-D92 PolarHBondContact OG1-N 3Å; T89-D92 PolarHBondContact OG1-OD2 2.95Å; T89-Y93 WeakPolarHBondContact O-CD2 3.47Å; T89-Y93 PolarHBondContact O-N 2.75Å
90	P	98.4	Very high	94.5	Very high	27 Å²	27	80.3 Å²	80.3	18%	0.175	41%	0.409	C	S	.	.	H	α-helix	trans	-53.1	-40.1	170.7	-27.1	36.1	0	0	0	113.2	D92 Y93 I94 I133 S161 A165	P90-D92 VanDerWaalsContact C-N 3.34Å; P90-D92 PolarHBondContact O-N 3.48Å; P90-Y93 WeakPolarHBondContact O-CB 3.27Å; P90-Y93 PolarHBondContact O-N 3.35Å; P90-Y93 VanDerWaalsContact O-N 3.09Å; P90-I94 WeakPolarHBondContact O-CG1 3.24Å; P90-I94 PolarHBondContact O-N 2.92Å; P90-I133 HydrophobicContact CG-CG2 4.22Å; P90-S161 WeakPolarHBondContact CB-O 3.49Å; P90-A165 HydrophobicContact CB-CB 3.91Å; P90-A165 WeakPolarHBondContact O-CB 3.45Å
91	D	98.4	Very high	94.9	Very high	101 Å²	101	80.9 Å²	80.9	54%	0.54	41%	0.412	S	S	.	.	H	α-helix	trans	-64.6	-36.2	178.7	-62.6	-42.7	0	0	0	112.9	T89 Y93 I94 N95	T89-D91 PolarHBondContact O-N 3.45Å; D91-Y93 VanDerWaalsContact C-N 3.28Å; D91-Y93 PolarHBondContact O-N 2.76Å; D91-I94 PolarHBondContact O-N 3.24Å; D91-N95 PolarHBondContact O-N 2.82Å
92	D	98.2	Very high	95.3	Very high	62 Å²	62	75.6 Å²	75.6	33%	0.332	39%	0.393	S	S	.	.	H	α-helix	trans	-60.3	-41.1	172.8	-64.9	-55.9	0	0	0	111	W88 T89 P90 N95 M96	W88-D92 HydrophobicContact CB-CB 4.25Å; T89-D92 WeakPolarHBondContact CB-OD2 3.37Å; T89-D92 PolarHBondContact N-OD2 2.92Å; T89-D92 WeakPolarHBondContact O-CB 3.43Å; T89-D92 PolarHBondContact O-N 3.49Å; T89-D92 VanDerWaalsContact OG1-CG 3.26Å; T89-D92 PolarHBondContact OG1-N 3Å; T89-D92 PolarHBondContact OG1-OD2 2.95Å; P90-D92 VanDerWaalsContact C-N 3.34Å; P90-D92 PolarHBondContact O-N 3.48Å; D92-N95 PolarHBondContact O-N 2.81Å; D92-M96 HydrophobicContact CB-CE 4.33Å; D92-M96 WeakPolarHBondContact O-CB 3.5Å; D92-M96 VanDerWaalsContact O-CG 3.23Å; D92-M96 WeakPolarHBondContact O-CG 3.44Å; D92-M96 PolarHBondContact O-N 2.91Å
93	Y	98.6	Very high	95.8	Very high	0 Å²	0	74.9 Å²	74.9	0%	0	39%	0.39	C	S	.	.	H	α-helix	trans	-68.5	-42.6	177.3	-85.1	-86	0	0	0	112.3	W88 T89 P90 D91 N95 M96 T97 F103 I133 E134 D137 I169	W88-Y93 HydrophobicContact CB-CD2 4.11Å; W88-Y93 HydrophobicContact CB-CE2 3.6Å; W88-Y93 HydrophobicContact CG-CE2 4.36Å; T89-Y93 WeakPolarHBondContact O-CD2 3.47Å; T89-Y93 PolarHBondContact O-N 2.75Å; P90-Y93 WeakPolarHBondContact O-CB 3.27Å; P90-Y93 PolarHBondContact O-N 3.35Å; P90-Y93 VanDerWaalsContact O-N 3.09Å; D91-Y93 VanDerWaalsContact C-N 3.28Å; D91-Y93 PolarHBondContact O-N 2.76Å; Y93-N95 VanDerWaalsContact C-N 3.28Å; Y93-N95 PolarHBondContact O-N 2.98Å; Y93-M96 HydrophobicContact CD1-CE 3.96Å; Y93-M96 HydrophobicContact CD2-CE 4.15Å; Y93-M96 HydrophobicContact CE1-CE 4.11Å; Y93-M96 HydrophobicContact CE2-CE 4.31Å; Y93-M96 HydrophobicContact CG-CE 3.99Å; Y93-M96 PolarHBondContact O-N 3.05Å; Y93-T97 WeakPolarHBondContact O-CB 3.36Å; Y93-T97 WeakPolarHBondContact O-CG2 3.38Å; Y93-T97 PolarHBondContact O-N 3.22Å; Y93-T97 PolarHBondContact O-OG1 3.43Å; Y93-F103 AromaticContact CD1-CE2 3.92Å; Y93-F103 HydrophobicContact CD1-CE2 3.92Å; Y93-F103 HydrophobicContact CD1-CZ 4.45Å; Y93-F103 AromaticContact CE1-CE2 3.96Å; Y93-F103 HydrophobicContact CE1-CE2 3.96Å; Y93-F103 HydrophobicContact CE1-CZ 4.39Å; Y93-I133 HydrophobicContact CD1-CG1 4.32Å; Y93-I133 HydrophobicContact CD2-CB 4.2Å; Y93-I133 HydrophobicContact CD2-CG1 3.59Å; Y93-I133 HydrophobicContact CD2-CG2 3.55Å; Y93-I133 HydrophobicContact CE2-CB 4.43Å; Y93-I133 HydrophobicContact CE2-CG1 4.05Å; Y93-I133 HydrophobicContact CE2-CG2 3.75Å; Y93-I133 HydrophobicContact CG-CG1 3.74Å; Y93-I133 HydrophobicContact CG-CG2 4.5Å; Y93-E134 HydrophobicContact CE2-CB 4.47Å; Y93-D137 HydrophobicContact CE1-CB 3.59Å; Y93-D137 VanDerWaalsContact CE1-CG 3.46Å; Y93-D137 VanDerWaalsContact CE1-OD2 3.3Å; Y93-D137 WeakPolarHBondContact CE1-OD2 3.25Å; Y93-D137 WeakPolarHBondContact OH-CB 3.46Å; Y93-D137 PolarHBondContact OH-OD2 3.36Å; Y93-I169 HydrophobicContact CD1-CD1 3.66Å; Y93-I169 HydrophobicContact CD1-CG1 3.95Å; Y93-I169 HydrophobicContact CE1-CD1 4.04Å; Y93-I169 HydrophobicContact CG-CD1 4.38Å
94	I	98.6	Very high	96.3	Very high	62 Å²	62	70 Å²	70	32%	0.318	37%	0.37	S	S	.	.	H	α-helix	trans	-54.2	-49.6	174.3	-65.8	167.6	0	0	0	109.7	P90 D91 T97 S98 A164 A165	P90-I94 WeakPolarHBondContact O-CG1 3.24Å; P90-I94 PolarHBondContact O-N 2.92Å; D91-I94 PolarHBondContact O-N 3.24Å; I94-T97 PolarHBondContact O-N 3.49Å; I94-T97 PolarHBondContact O-OG1 2.84Å; I94-T97 VanDerWaalsContact O-OG1 3.06Å; I94-S98 PolarHBondContact O-N 2.86Å; I94-A164 HydrophobicContact CD1-CB 3.7Å; I94-A164 HydrophobicContact CG1-CB 4.2Å; I94-A165 HydrophobicContact CG1-CB 4.03Å
95	N	98.3	Very high	96.6	Very high	115 Å²	115	69.6 Å²	69.6	62%	0.615	37%	0.368	S	S	*	.	H	α-helix	trans	-65.6	-44.8	178.3	-173.1	26.6	0	0	0	112.6	D91 D92 Y93 T97 S98	D91-N95 PolarHBondContact O-N 2.82Å; D92-N95 PolarHBondContact O-N 2.81Å; Y93-N95 VanDerWaalsContact C-N 3.28Å; Y93-N95 PolarHBondContact O-N 2.98Å; N95-T97 VanDerWaalsContact C-N 3.28Å; N95-T97 PolarHBondContact O-N 3.45Å; N95-S98 PolarHBondContact O-N 3.31Å; N95-S98 PolarHBondContact O-OG 3.41Å
96	M	98	Very high	96.9	Very high	44 Å²	44	75.6 Å²	75.6	22%	0.217	39%	0.391	C	S	.	.	H	α-helix	trans	-62.2	-36.9	179.2	-76.1	-172	-68.9	0	0	112.5	W88 D92 Y93 S98 F103	W88-M96 HydrophobicContact CD2-CE 4.46Å; W88-M96 HydrophobicContact CG-CE 4.28Å; D92-M96 HydrophobicContact CB-CE 4.33Å; D92-M96 WeakPolarHBondContact O-CB 3.5Å; D92-M96 VanDerWaalsContact O-CG 3.23Å; D92-M96 WeakPolarHBondContact O-CG 3.44Å; D92-M96 PolarHBondContact O-N 2.91Å; Y93-M96 HydrophobicContact CD1-CE 3.96Å; Y93-M96 HydrophobicContact CD2-CE 4.15Å; Y93-M96 HydrophobicContact CE1-CE 4.11Å; Y93-M96 HydrophobicContact CE2-CE 4.31Å; Y93-M96 HydrophobicContact CG-CE 3.99Å; Y93-M96 PolarHBondContact O-N 3.05Å; M96-S98 VanDerWaalsContact C-N 3.29Å; M96-S98 PolarHBondContact O-N 3.42Å; M96-F103 HydrophobicContact CB-CD2 4.06Å
97	T	98.6	Very high	97.3	Very high	10 Å²	10	70 Å²	70	6%	0.061	35%	0.353	C	S	.	.	H	α-helix	trans	-78.8	-7	-177.4	60.2	0	0	0	0	114	Y93 I94 N95 D99 C100 F103 G168 I169	Y93-T97 WeakPolarHBondContact O-CB 3.36Å; Y93-T97 WeakPolarHBondContact O-CG2 3.38Å; Y93-T97 PolarHBondContact O-N 3.22Å; Y93-T97 PolarHBondContact O-OG1 3.43Å; I94-T97 PolarHBondContact O-N 3.49Å; I94-T97 PolarHBondContact O-OG1 2.84Å; I94-T97 VanDerWaalsContact O-OG1 3.06Å; N95-T97 VanDerWaalsContact C-N 3.28Å; N95-T97 PolarHBondContact O-N 3.45Å; T97-D99 PolarHBondContact O-N 2.93Å; T97-C100 PolarHBondContact O-SG 2.96Å; T97-C100 VanDerWaalsContact O-SG 3.4Å; T97-F103 HydrophobicContact CG2-CD1 4.33Å; T97-F103 HydrophobicContact CG2-CD2 3.94Å; T97-F103 HydrophobicContact CG2-CE1 4.41Å; T97-F103 HydrophobicContact CG2-CE2 4Å; T97-F103 HydrophobicContact CG2-CG 4.1Å; T97-F103 HydrophobicContact CG2-CZ 4.26Å; T97-G168 WeakPolarHBondContact CB-O 3.35Å; T97-G168 WeakPolarHBondContact OG1-CA 3.37Å; T97-I169 HydrophobicContact CG2-CG1 3.97Å
98	S	97.9	Very high	97.6	Very high	101 Å²	101	65.3 Å²	65.3	71%	0.706	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-24.1	171.8	71.8	0	0	0	0	112.8	I94 N95 M96	I94-S98 PolarHBondContact O-N 2.86Å; N95-S98 PolarHBondContact O-N 3.31Å; N95-S98 PolarHBondContact O-OG 3.41Å; M96-S98 VanDerWaalsContact C-N 3.29Å; M96-S98 PolarHBondContact O-N 3.42Å
99	D	98.4	Very high	97.8	Very high	81 Å²	81	60.4 Å²	60.4	43%	0.433	32%	0.318	S	S	.	.	S	Bend	trans	-118.6	88.1	168.4	178.2	-5.1	0	0	0	109.2	T97 T101 S102 F103	T97-D99 PolarHBondContact O-N 2.93Å; D99-T101 PolarHBondContact O-N 2.9Å; D99-T101 PolarHBondContact OD1-N 2.75Å; D99-T101 VanDerWaalsContact OD1-N 3.17Å; D99-S102 PolarHBondContact O-N 3.32Å; D99-S102 PolarHBondContact OD1-N 3.09Å; D99-S102 WeakPolarHBondContact OD2-CB 3.08Å; D99-F103 PolarHBondContact O-N 3.22Å
100	C	98.6	Very high	97.8	Very high	34 Å²	34	57.8 Å²	57.8	23%	0.23	30%	0.301	C	S	.	.	H	α-helix	trans	-59.1	-33.3	-178.9	-74	0	0	0	0	113.7	T97 F103 I104 C172	T97-C100 PolarHBondContact O-SG 2.96Å; T97-C100 VanDerWaalsContact O-SG 3.4Å; C100-F103 PolarHBondContact O-N 3.21Å; C100-I104 VanDerWaalsContact O-CB 3.3Å; C100-I104 WeakPolarHBondContact O-CB 3.2Å; C100-I104 WeakPolarHBondContact O-CD1 3.26Å; C100-I104 WeakPolarHBondContact O-CG1 3.41Å; C100-I104 PolarHBondContact O-N 2.7Å; C100-C172 WeakPolarHBondContact CA-SG 3.31Å; C100-C172 HydrophobicContact CB-CB 3.57Å; C100-C172 WeakPolarHBondContact CB-SG 3.29Å; C100-C172 WeakPolarHBondContact SG-CA 3.35Å; C100-C172 WeakPolarHBondContact SG-CB 3.38Å; C100-C172 CovalentContact SG-SG 2.05Å; C100-C172 PolarHBondContact SG-SG 3.2Å
101	T	98.1	Very high	97.7	Very high	111 Å²	111	59.8 Å²	59.8	68%	0.681	31%	0.313	S	S	*	.	H	α-helix	trans	-65.5	-45.6	178.6	-58.1	0	0	0	0	110	D99 K105	D99-T101 PolarHBondContact O-N 2.9Å; D99-T101 PolarHBondContact OD1-N 2.75Å; D99-T101 VanDerWaalsContact OD1-N 3.17Å; T101-K105 VanDerWaalsContact O-CB 3.32Å; T101-K105 WeakPolarHBondContact O-CB 3.38Å; T101-K105 PolarHBondContact O-N 2.84Å; T101-K105 VanDerWaalsContact O-N 3.13Å
102	S	97.8	Very high	97.6	Very high	28 Å²	28	61.2 Å²	61.2	20%	0.196	32%	0.316	C	S	.	.	H	α-helix	trans	-65.6	-43.8	175	179.9	0	0	0	0	111.8	D99 K105 R106	D99-S102 PolarHBondContact O-N 3.32Å; D99-S102 PolarHBondContact OD1-N 3.09Å; D99-S102 WeakPolarHBondContact OD2-CB 3.08Å; S102-K105 PolarHBondContact O-N 3.22Å; S102-R106 VanDerWaalsContact O-CB 3.26Å; S102-R106 WeakPolarHBondContact O-CB 3.46Å; S102-R106 VanDerWaalsContact O-CG 3.23Å; S102-R106 WeakPolarHBondContact O-CG 3.44Å; S102-R106 PolarHBondContact O-N 3.33Å; S102-R106 PolarHBondContact OG-NE 3.3Å
103	F	98.3	Very high	97.5	Very high	2 Å²	2	61.4 Å²	61.4	1%	0.009	32%	0.321	C	S	.	.	H	α-helix	trans	-56.8	-55	176.8	175.3	-103.1	0	0	0	111.7	Y93 M96 T97 D99 C100 K105 R106 R107 Y109 I169 C172 F173	Y93-F103 AromaticContact CD1-CE2 3.92Å; Y93-F103 HydrophobicContact CD1-CE2 3.92Å; Y93-F103 HydrophobicContact CD1-CZ 4.45Å; Y93-F103 AromaticContact CE1-CE2 3.96Å; Y93-F103 HydrophobicContact CE1-CE2 3.96Å; Y93-F103 HydrophobicContact CE1-CZ 4.39Å; M96-F103 HydrophobicContact CB-CD2 4.06Å; T97-F103 HydrophobicContact CG2-CD1 4.33Å; T97-F103 HydrophobicContact CG2-CD2 3.94Å; T97-F103 HydrophobicContact CG2-CE1 4.41Å; T97-F103 HydrophobicContact CG2-CE2 4Å; T97-F103 HydrophobicContact CG2-CG 4.1Å; T97-F103 HydrophobicContact CG2-CZ 4.26Å; D99-F103 PolarHBondContact O-N 3.22Å; C100-F103 PolarHBondContact O-N 3.21Å; F103-K105 VanDerWaalsContact C-N 3.31Å; F103-K105 PolarHBondContact O-N 2.86Å; F103-R106 PolarHBondContact O-N 3.4Å; F103-R107 HydrophobicContact CD2-CG 3.68Å; F103-R107 HydrophobicContact CE1-CG 4.41Å; F103-R107 HydrophobicContact CE2-CG 3.44Å; F103-R107 VanDerWaalsContact CE2-CG 3.44Å; F103-R107 HydrophobicContact CG-CG 4.28Å; F103-R107 HydrophobicContact CZ-CG 3.84Å; F103-R107 VanDerWaalsContact O-CB 3.28Å; F103-R107 WeakPolarHBondContact O-CB 3.24Å; F103-R107 VanDerWaalsContact O-CG 3.31Å; F103-R107 WeakPolarHBondContact O-CG 3.29Å; F103-R107 PolarHBondContact O-N 3.24Å; F103-Y109 HydrophobicContact CE1-CD2 4.34Å; F103-Y109 AromaticContact CE1-CE2 3.76Å; F103-Y109 HydrophobicContact CE1-CE2 3.76Å; F103-Y109 AromaticContact CZ-CE2 3.99Å; F103-Y109 HydrophobicContact CZ-CE2 3.99Å; F103-I169 HydrophobicContact CE1-CG2 4.27Å; F103-I169 HydrophobicContact CZ-CG1 3.99Å; F103-I169 HydrophobicContact CZ-CG2 4.24Å; F103-C172 HydrophobicContact CD1-CB 4.33Å; F103-F173 HydrophobicContact CE1-CE2 4.17Å; F103-F173 HydrophobicContact CE1-CZ 4.2Å
104	I	98.1	Very high	97.4	Very high	34 Å²	34	62.2 Å²	62.2	17%	0.174	33%	0.325	C	S	.	.	H	α-helix	trans	-55.1	-47.6	179.2	-72.5	169.6	0	0	0	110.8	C100 K108 Y109 V111 C172 F173	C100-I104 VanDerWaalsContact O-CB 3.3Å; C100-I104 WeakPolarHBondContact O-CB 3.2Å; C100-I104 WeakPolarHBondContact O-CD1 3.26Å; C100-I104 WeakPolarHBondContact O-CG1 3.41Å; C100-I104 PolarHBondContact O-N 2.7Å; I104-K108 WeakPolarHBondContact O-CA 3.36Å; I104-K108 PolarHBondContact O-N 3.36Å; I104-Y109 PolarHBondContact O-N 3.41Å; I104-Y109 VanDerWaalsContact O-N 3.07Å; I104-V111 HydrophobicContact CG2-CG1 3.6Å; I104-C172 HydrophobicContact CD1-CB 4.42Å; I104-F173 HydrophobicContact CD1-CD1 4.35Å; I104-F173 HydrophobicContact CD1-CE1 3.95Å; I104-F173 HydrophobicContact CG1-CE1 3.71Å; I104-F173 HydrophobicContact CG1-CZ 3.96Å
105	K	95.9	Very high	97.2	Very high	161 Å²	161	60.8 Å²	60.8	70%	0.7	32%	0.321	S	S	*	.	H	α-helix	trans	-66.2	-46	-179.4	-175.9	177.2	179.8	177.8	0	112.4	T101 S102 F103 K108	T101-K105 VanDerWaalsContact O-CB 3.32Å; T101-K105 WeakPolarHBondContact O-CB 3.38Å; T101-K105 PolarHBondContact O-N 2.84Å; T101-K105 VanDerWaalsContact O-N 3.13Å; S102-K105 PolarHBondContact O-N 3.22Å; F103-K105 VanDerWaalsContact C-N 3.31Å; F103-K105 PolarHBondContact O-N 2.86Å; K105-K108 PolarHBondContact O-N 2.99Å
106	R	94.8	Very high	97.2	Very high	178 Å²	178	62.6 Å²	62.6	67%	0.672	32%	0.323	S	S	*	.	H	α-helix	trans	-69.4	-41.2	-178.3	-74	177.6	-175.7	-160.3	2	112.1	S102 F103 K108	S102-R106 VanDerWaalsContact O-CB 3.26Å; S102-R106 WeakPolarHBondContact O-CB 3.46Å; S102-R106 VanDerWaalsContact O-CG 3.23Å; S102-R106 WeakPolarHBondContact O-CG 3.44Å; S102-R106 PolarHBondContact O-N 3.33Å; S102-R106 PolarHBondContact OG-NE 3.3Å; F103-R106 PolarHBondContact O-N 3.4Å; R106-K108 VanDerWaalsContact C-N 3.26Å
107	R	96	Very high	97.2	Very high	11 Å²	11	63.1 Å²	63.1	4%	0.042	33%	0.325	C	S	.	.	H	α-helix	trans	-78.2	-12.5	176.4	-61	-55.1	-63.2	154.3	-4.2	112.4	F103 Y109 D137 R141	F103-R107 HydrophobicContact CD2-CG 3.68Å; F103-R107 HydrophobicContact CE1-CG 4.41Å; F103-R107 HydrophobicContact CE2-CG 3.44Å; F103-R107 VanDerWaalsContact CE2-CG 3.44Å; F103-R107 HydrophobicContact CG-CG 4.28Å; F103-R107 HydrophobicContact CZ-CG 3.84Å; F103-R107 VanDerWaalsContact O-CB 3.28Å; F103-R107 WeakPolarHBondContact O-CB 3.24Å; F103-R107 VanDerWaalsContact O-CG 3.31Å; F103-R107 WeakPolarHBondContact O-CG 3.29Å; F103-R107 PolarHBondContact O-N 3.24Å; R107-Y109 HydrophobicContact CB-CD2 3.65Å; R107-Y109 HydrophobicContact CB-CE2 3.63Å; R107-Y109 HydrophobicContact CG-CE2 4.32Å; R107-D137 IonicContact CZ-OD2 2.72Å; R107-D137 IonicContact NE-OD1 2.62Å; R107-D137 IonicContact NE-OD2 2.86Å; R107-D137 PolarHBondContact NE-OD2 2.83Å; R107-D137 IonicContact NH2-OD2 2.83Å; R107-D137 PolarHBondContact NH2-OD2 3.13Å; R107-R141 WeakPolarHBondContact O-CD 3.38Å; R107-R141 PolarHBondContact O-NH1 2.85Å
108	K	97.2	Very high	97.2	Very high	41 Å²	41	62.8 Å²	62.8	18%	0.178	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.3	51.6	179	-55.2	175.7	-172.6	157.1	0	112.5	H45 L46 E47 L48 E51 I104 K105 R106 R419	H45-K108 VanDerWaalsContact O-CD 3.3Å; H45-K108 WeakPolarHBondContact O-CD 3.38Å; L46-K108 HydrophobicContact CD2-CB 4.4Å; E47-K108 WeakPolarHBondContact O-CD 3.35Å; E47-K108 WeakPolarHBondContact O-CE 3.4Å; E47-K108 PolarHBondContact O-NZ 2.92Å; L48-K108 HydrophobicContact CD2-CB 4.36Å; L48-K108 HydrophobicContact CD2-CD 4.02Å; E51-K108 VanDerWaalsContact OE1-CD 3.25Å; E51-K108 WeakPolarHBondContact OE1-CD 3.49Å; E51-K108 VanDerWaalsContact OE1-CE 3.24Å; E51-K108 WeakPolarHBondContact OE1-CE 3.48Å; E51-K108 IonicContact OE1-NZ 2.88Å; E51-K108 PolarHBondContact OE1-NZ 3.01Å; I104-K108 WeakPolarHBondContact O-CA 3.36Å; I104-K108 PolarHBondContact O-N 3.36Å; K105-K108 PolarHBondContact O-N 2.99Å; R106-K108 VanDerWaalsContact C-N 3.26Å; K108-R419 PolarHBondContact O-NH1 2.89Å; K108-R419 PolarHBondContact O-NH2 3.34Å
109	Y	98.1	Very high	97.2	Very high	3 Å²	3	59.8 Å²	59.8	1%	0.012	31%	0.305	C	S	.	.			trans	-69.7	140.7	168.5	-83.1	-98.4	0	0	0	110.3	F103 I104 R107 V111 D137 L140 R141 Y144 F173	F103-Y109 HydrophobicContact CE1-CD2 4.34Å; F103-Y109 AromaticContact CE1-CE2 3.76Å; F103-Y109 HydrophobicContact CE1-CE2 3.76Å; F103-Y109 AromaticContact CZ-CE2 3.99Å; F103-Y109 HydrophobicContact CZ-CE2 3.99Å; I104-Y109 PolarHBondContact O-N 3.41Å; I104-Y109 VanDerWaalsContact O-N 3.07Å; R107-Y109 HydrophobicContact CB-CD2 3.65Å; R107-Y109 HydrophobicContact CB-CE2 3.63Å; R107-Y109 HydrophobicContact CG-CE2 4.32Å; Y109-V111 PolarHBondContact O-N 2.78Å; Y109-D137 WeakPolarHBondContact CE2-OD1 3.47Å; Y109-D137 PolarHBondContact OH-O 3.42Å; Y109-D137 PolarHBondContact OH-OD1 3.25Å; Y109-L140 HydrophobicContact CE1-CD2 4.33Å; Y109-L140 HydrophobicContact CE1-CG 4.1Å; Y109-R141 HydrophobicContact CD1-CB 4.41Å; Y109-R141 VanDerWaalsContact CE1-CA 3.49Å; Y109-R141 HydrophobicContact CE1-CB 3.92Å; Y109-R141 HydrophobicContact CE2-CB 4.17Å; Y109-Y144 AromaticContact CD1-CD1 3.83Å; Y109-Y144 HydrophobicContact CD1-CD1 3.83Å; Y109-Y144 HydrophobicContact CD1-CD2 4.45Å; Y109-Y144 AromaticContact CD1-CG 3.76Å; Y109-Y144 HydrophobicContact CD1-CG 3.76Å; Y109-Y144 HydrophobicContact CE1-CG 4.21Å; Y109-F173 AromaticContact CD1-CE1 3.75Å; Y109-F173 HydrophobicContact CD1-CE1 3.75Å; Y109-F173 HydrophobicContact CD1-CE2 4.28Å; Y109-F173 AromaticContact CD1-CZ 3.4Å; Y109-F173 HydrophobicContact CD1-CZ 3.4Å; Y109-F173 VanDerWaalsContact CD1-CZ 3.4Å; Y109-F173 AromaticContact CD2-CZ 3.83Å; Y109-F173 HydrophobicContact CD2-CZ 3.83Å; Y109-F173 HydrophobicContact CE1-CE1 4.33Å; Y109-F173 HydrophobicContact CE1-CE2 4.03Å; Y109-F173 AromaticContact CE1-CZ 3.59Å; Y109-F173 HydrophobicContact CE1-CZ 3.59Å; Y109-F173 HydrophobicContact CE2-CZ 4.01Å; Y109-F173 AromaticContact CG-CE1 3.86Å; Y109-F173 HydrophobicContact CG-CE1 3.86Å; Y109-F173 AromaticContact CG-CZ 3.54Å; Y109-F173 HydrophobicContact CG-CZ 3.54Å; Y109-F173 AromaticContact CZ-CZ 3.9Å
110	I	97.6	Very high	97.2	Very high	8 Å²	8	62 Å²	62	4%	0.041	31%	0.312	C	S	.	.			trans	-86.1	105.9	175.4	-60.2	-178.1	0	0	0	107.7	L46 E112 L114 Y144 M145 L423	L46-I110 HydrophobicContact CD1-CG1 4.37Å; I110-E112 VanDerWaalsContact CG2-O 3.31Å; I110-E112 WeakPolarHBondContact CG2-O 3.44Å; I110-L114 HydrophobicContact CD1-CD1 4.07Å; I110-L114 HydrophobicContact CD1-CD2 4.44Å; I110-L114 HydrophobicContact CG2-CD1 4.5Å; I110-L114 HydrophobicContact CG2-CD2 3.68Å; I110-L114 HydrophobicContact CG2-CG 4.01Å; I110-Y144 WeakPolarHBondContact O-CD1 3.4Å; I110-Y144 WeakPolarHBondContact O-CE1 3.43Å; I110-M145 HydrophobicContact CB-SD 4.36Å; I110-M145 HydrophobicContact CD1-CE 4.16Å; I110-M145 HydrophobicContact CG2-CE 4.41Å; I110-M145 HydrophobicContact CG2-SD 3.9Å; I110-L423 HydrophobicContact CD1-CD2 4.26Å
111	V	97.1	Very high	97.2	Very high	69 Å²	69	61.6 Å²	61.6	42%	0.418	31%	0.306	S	S	.	.			trans	-103.8	7.4	-174.2	-63.5	0	0	0	0	114	I104 Y109 Y144	I104-V111 HydrophobicContact CG2-CG1 3.6Å; Y109-V111 PolarHBondContact O-N 2.78Å; V111-Y144 HydrophobicContact CG1-CE1 4.2Å
112	E	95.6	Very high	97.2	Very high	131 Å²	131	57 Å²	57	61%	0.612	28%	0.278	S	S	*	.	S	Bend	trans	-126.5	139.9	173.4	-66.1	-176.2	179	0	0	109.6	I110 L114	I110-E112 VanDerWaalsContact CG2-O 3.31Å; I110-E112 WeakPolarHBondContact CG2-O 3.44Å; E112-L114 PolarHBondContact O-N 3.4Å
113	P	96.1	Very high	97.3	Very high	66 Å²	66	55.6 Å²	55.6	43%	0.429	27%	0.269	S	S	.	.			trans	-59.3	132	174.8	-20	30.9	0	0	0	111.1	S115 A119 P146	P113-S115 VanDerWaalsContact C-N 3.32Å; P113-S115 PolarHBondContact O-N 3.21Å; P113-A119 HydrophobicContact CB-CB 3.96Å; P113-A119 HydrophobicContact CG-CB 4.3Å; P113-P146 HydrophobicContact CG-CG 3.89Å
114	L	95.7	Very high	97.3	Very high	16 Å²	16	55.5 Å²	55.5	8%	0.084	27%	0.269	C	S	.	.	S	Bend	trans	-77.9	-16.6	-179.1	-58.4	179.7	0	0	0	113.3	I110 E112 M145 A422 L423 L426	I110-L114 HydrophobicContact CD1-CD1 4.07Å; I110-L114 HydrophobicContact CD1-CD2 4.44Å; I110-L114 HydrophobicContact CG2-CD1 4.5Å; I110-L114 HydrophobicContact CG2-CD2 3.68Å; I110-L114 HydrophobicContact CG2-CG 4.01Å; E112-L114 PolarHBondContact O-N 3.4Å; L114-M145 HydrophobicContact CD1-CE 3.61Å; L114-M145 HydrophobicContact CD1-SD 4.45Å; L114-M145 HydrophobicContact CG-CE 4.11Å; L114-M145 HydrophobicContact CG-SD 4.32Å; L114-A422 HydrophobicContact CD1-CB 3.88Å; L114-L423 HydrophobicContact CD2-CD2 4.13Å; L114-L426 HydrophobicContact CD2-CD1 3.72Å; L114-L426 WeakPolarHBondContact O-CD2 3.37Å
115	S	96.1	Very high	97.3	Very high	33 Å²	33	53.9 Å²	53.9	23%	0.231	26%	0.26	C	S	.	.			trans	-156.4	156.6	175.2	68.3	0	0	0	0	111.8	P113 E117 E118 A119	P113-S115 VanDerWaalsContact C-N 3.32Å; P113-S115 PolarHBondContact O-N 3.21Å; S115-E117 PolarHBondContact O-N 3.22Å; S115-E118 WeakPolarHBondContact CB-OE2 3.34Å; S115-E118 PolarHBondContact N-OE2 2.98Å; S115-E118 PolarHBondContact O-N 3.01Å; S115-E118 WeakPolarHBondContact OG-CB 3.39Å; S115-E118 VanDerWaalsContact OG-CG 3.26Å; S115-E118 WeakPolarHBondContact OG-CG 3.34Å; S115-E118 PolarHBondContact OG-N 2.85Å; S115-E118 VanDerWaalsContact OG-N 3.16Å; S115-E118 PolarHBondContact OG-OE2 2.82Å; S115-A119 PolarHBondContact O-N 2.76Å
116	K	97	Very high	97.5	Very high	152 Å²	152	46.2 Å²	46.2	66%	0.661	23%	0.227	S	C	*	.	H	α-helix	trans	-60.1	-38.1	171.3	-176.6	177.6	173.4	-179.7	0	111.5	E118 A119 E120	K116-E118 VanDerWaalsContact C-N 3.29Å; K116-E118 PolarHBondContact O-N 2.77Å; K116-A119 PolarHBondContact O-N 3.27Å; K116-E120 VanDerWaalsContact CE-CD 3.44Å; K116-E120 WeakPolarHBondContact CE-OE1 3.5Å; K116-E120 HydrophobicContact CG-CG 4.32Å; K116-E120 IonicContact NZ-OE1 3.64Å; K116-E120 WeakPolarHBondContact O-CG 3.37Å; K116-E120 PolarHBondContact O-N 2.68Å
117	E	97.8	Very high	97.7	Very high	55 Å²	55	37.8 Å²	37.8	26%	0.257	20%	0.195	S	C	.	.	H	α-helix	trans	-58.3	-41.5	177.7	163.2	156.2	-133.6	0	0	112	S115 L227 V230 R231 K234	S115-E117 PolarHBondContact O-N 3.22Å; E117-L227 HydrophobicContact CB-CD1 4.36Å; E117-L227 HydrophobicContact CG-CD1 3.74Å; E117-L227 WeakPolarHBondContact OE2-CD1 3.35Å; E117-V230 HydrophobicContact CG-CG1 4.19Å; E117-R231 IonicContact OE1-NE 3.84Å; E117-R231 IonicContact OE2-CZ 3.05Å; E117-R231 IonicContact OE2-NE 3.61Å; E117-R231 PolarHBondContact OE2-NE 3.36Å; E117-R231 IonicContact OE2-NH2 4Å; E117-R231 PolarHBondContact OE2-NH2 3.4Å; E117-K234 IonicContact OE1-NZ 3.22Å; E117-K234 PolarHBondContact OE1-NZ 3.16Å
118	E	98.2	Very high	97.8	Very high	3 Å²	3	38 Å²	38	1%	0.014	20%	0.197	C	C	.	.	H	α-helix	trans	-75.4	-38.9	176.8	-69.9	167.5	97.1	0	0	112.5	S115 K116 E120 F121 Q147 N226 L227 V230	S115-E118 WeakPolarHBondContact CB-OE2 3.34Å; S115-E118 PolarHBondContact N-OE2 2.98Å; S115-E118 PolarHBondContact O-N 3.01Å; S115-E118 WeakPolarHBondContact OG-CB 3.39Å; S115-E118 VanDerWaalsContact OG-CG 3.26Å; S115-E118 WeakPolarHBondContact OG-CG 3.34Å; S115-E118 PolarHBondContact OG-N 2.85Å; S115-E118 VanDerWaalsContact OG-N 3.16Å; S115-E118 PolarHBondContact OG-OE2 2.82Å; K116-E118 VanDerWaalsContact C-N 3.29Å; K116-E118 PolarHBondContact O-N 2.77Å; E118-E120 PolarHBondContact O-N 2.75Å; E118-F121 PolarHBondContact O-N 2.86Å; E118-Q147 PolarHBondContact O-NE2 3.29Å; E118-N226 WeakPolarHBondContact CG-ND2 3.38Å; E118-N226 WeakPolarHBondContact OE1-CB 3.37Å; E118-N226 PolarHBondContact OE1-ND2 2.68Å; E118-L227 HydrophobicContact CG-CB 3.99Å; E118-L227 HydrophobicContact CG-CD1 3.82Å; E118-L227 PolarHBondContact OE1-N 2.66Å; E118-L227 VanDerWaalsContact OE1-N 3.11Å; E118-V230 HydrophobicContact CG-CG2 4.31Å
119	A	98.1	Very high	97.9	Very high	39 Å²	39	36.1 Å²	36.1	32%	0.322	19%	0.19	S	C	.	.	H	α-helix	trans	-60.4	-35.2	178.3	0	0	0	0	0	112.5	P113 S115 K116 F121	P113-A119 HydrophobicContact CB-CB 3.96Å; P113-A119 HydrophobicContact CG-CB 4.3Å; S115-A119 PolarHBondContact O-N 2.76Å; K116-A119 PolarHBondContact O-N 3.27Å; A119-F121 VanDerWaalsContact C-N 3.34Å
120	E	98.3	Very high	97.9	Very high	126 Å²	126	40.8 Å²	40.8	59%	0.589	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-2	-179.3	-68	178.5	159.8	0	0	113.8	K116 E118	K116-E120 VanDerWaalsContact CE-CD 3.44Å; K116-E120 WeakPolarHBondContact CE-OE1 3.5Å; K116-E120 HydrophobicContact CG-CG 4.32Å; K116-E120 IonicContact NZ-OE1 3.64Å; K116-E120 WeakPolarHBondContact O-CG 3.37Å; K116-E120 PolarHBondContact O-N 2.68Å; E118-E120 PolarHBondContact O-N 2.75Å
121	F	98.8	Very high	97.9	Very high	26 Å²	26	44 Å²	44	11%	0.114	23%	0.226	C	C	.	.	S	Bend	trans	-128.8	71.3	178.7	-157.1	-85	0	0	0	112	E118 A119 I123 K211 Y212 V230 L233 K234	E118-F121 PolarHBondContact O-N 2.86Å; A119-F121 VanDerWaalsContact C-N 3.34Å; F121-I123 HydrophobicContact CD1-CG1 4.5Å; F121-K211 HydrophobicContact CD1-CB 4.26Å; F121-K211 HydrophobicContact CD1-CG 4.19Å; F121-K211 HydrophobicContact CD2-CG 3.93Å; F121-K211 HydrophobicContact CE1-CB 3.78Å; F121-K211 HydrophobicContact CE1-CG 4.14Å; F121-K211 HydrophobicContact CE2-CB 4.11Å; F121-K211 HydrophobicContact CE2-CG 3.89Å; F121-K211 HydrophobicContact CG-CG 4.1Å; F121-K211 HydrophobicContact CZ-CB 3.71Å; F121-K211 HydrophobicContact CZ-CG 4.01Å; F121-Y212 HydrophobicContact CE1-CD2 4.08Å; F121-Y212 AromaticContact CZ-CD2 3.93Å; F121-Y212 HydrophobicContact CZ-CD2 3.93Å; F121-Y212 HydrophobicContact CZ-CE2 4.09Å; F121-V230 HydrophobicContact CB-CG1 3.65Å; F121-V230 HydrophobicContact CB-CG2 4.26Å; F121-V230 HydrophobicContact CD1-CB 4.31Å; F121-V230 HydrophobicContact CD1-CG1 3.94Å; F121-V230 HydrophobicContact CD1-CG2 4.09Å; F121-V230 HydrophobicContact CG-CG1 3.84Å; F121-L233 HydrophobicContact CE1-CB 3.59Å; F121-L233 HydrophobicContact CE1-CD1 4Å; F121-L233 HydrophobicContact CE1-CG 4.47Å; F121-L233 HydrophobicContact CZ-CB 3.91Å; F121-K234 HydrophobicContact CD2-CD 4.35Å; F121-K234 HydrophobicContact CD2-CG 3.75Å; F121-K234 HydrophobicContact CE2-CG 3.49Å; F121-K234 VanDerWaalsContact CE2-CG 3.49Å; F121-K234 HydrophobicContact CG-CG 4.44Å; F121-K234 HydrophobicContact CZ-CG 4Å
122	P	98.8	Very high	97.9	Very high	14 Å²	14	43.5 Å²	43.5	9%	0.091	22%	0.218	C	C	.	.			trans	-67.4	140.1	-177.7	-18.1	31.9	0	0	0	112.6	Q147 F149 W210 K211	P122-Q147 WeakPolarHBondContact CB-O 3.48Å; P122-F149 HydrophobicContact CB-CE2 4.07Å; P122-W210 HydrophobicContact CB-CB 4.13Å; P122-W210 CarbonylContact O-C 3.58Å; P122-W210 WeakPolarHBondContact O-CA 3.39Å; P122-K211 PolarHBondContact O-N 3.08Å
123	I	98.9	Very high	98	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	140.9	177.5	-57.3	166.4	0	0	0	109.1	F121 Y125 N148 F149 I214 I229 V230 L233	F121-I123 HydrophobicContact CD1-CG1 4.5Å; I123-Y125 HydrophobicContact CB-CE2 3.95Å; I123-Y125 HydrophobicContact CG2-CD2 4.09Å; I123-Y125 HydrophobicContact CG2-CE1 4.25Å; I123-Y125 HydrophobicContact CG2-CE2 3.51Å; I123-N148 PolarHBondContact N-OD1 2.99Å; I123-N148 CarbonylContact O-C 3.5Å; I123-N148 VanDerWaalsContact O-CA 3.24Å; I123-N148 WeakPolarHBondContact O-CA 3.27Å; I123-N148 WeakPolarHBondContact O-CB 3.31Å; I123-F149 PolarHBondContact O-N 3Å; I123-I214 HydrophobicContact CG2-CD1 4.04Å; I123-I214 HydrophobicContact CG2-CG1 4.23Å; I123-I229 HydrophobicContact CD1-CB 4.39Å; I123-I229 HydrophobicContact CD1-CG2 3.63Å; I123-V230 HydrophobicContact CD1-CG2 3.92Å; I123-L233 HydrophobicContact CD1-CD1 3.76Å; I123-L233 HydrophobicContact CG1-CD1 3.88Å
124	A	98.9	Very high	98	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	143.3	171.1	0	0	0	0	0	110.6	F149 L203 W210 Y212 L213 I214	A124-F149 CarbonylContact C-O 3.57Å; A124-F149 WeakPolarHBondContact CA-O 3.36Å; A124-F149 HydrophobicContact CB-CB 4.38Å; A124-L203 HydrophobicContact CB-CD1 4.22Å; A124-L203 HydrophobicContact CB-CD2 4.21Å; A124-W210 HydrophobicContact CB-CB 4.28Å; A124-W210 HydrophobicContact CB-CD2 3.66Å; A124-W210 HydrophobicContact CB-CE3 3.81Å; A124-W210 HydrophobicContact CB-CG 3.88Å; A124-W210 HydrophobicContact CB-CZ3 4.34Å; A124-Y212 PolarHBondContact N-O 3.03Å; A124-L213 HydrophobicContact CB-CD1 4.04Å; A124-L213 CarbonylContact O-C 3.48Å; A124-L213 VanDerWaalsContact O-CA 3.32Å; A124-L213 WeakPolarHBondContact O-CA 3.45Å; A124-I214 PolarHBondContact O-N 2.92Å
125	Y	99	Very high	98.1	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	131.8	178.7	-68.8	-84.6	0	0	0	111.2	I123 I143 F149 Y150 C151 L203 I214 L216 F398	I123-Y125 HydrophobicContact CB-CE2 3.95Å; I123-Y125 HydrophobicContact CG2-CD2 4.09Å; I123-Y125 HydrophobicContact CG2-CE1 4.25Å; I123-Y125 HydrophobicContact CG2-CE2 3.51Å; Y125-I143 HydrophobicContact CD1-CD1 4.2Å; Y125-I143 HydrophobicContact CE1-CD1 4.48Å; Y125-I143 HydrophobicContact CG-CD1 4.22Å; Y125-F149 PolarHBondContact N-O 2.88Å; Y125-Y150 AromaticContact CD2-CD1 3.7Å; Y125-Y150 HydrophobicContact CD2-CD1 3.7Å; Y125-Y150 AromaticContact CD2-CE1 3.3Å; Y125-Y150 HydrophobicContact CD2-CE1 3.3Å; Y125-Y150 AromaticContact CE2-CE1 3.82Å; Y125-Y150 HydrophobicContact CE2-CE1 3.82Å; Y125-Y150 HydrophobicContact CG-CD1 4.07Å; Y125-Y150 HydrophobicContact CG-CE1 4.04Å; Y125-C151 PolarHBondContact O-N 3.26Å; Y125-L203 WeakPolarHBondContact O-CD1 3.49Å; Y125-I214 VanDerWaalsContact CA-O 3.3Å; Y125-I214 WeakPolarHBondContact CA-O 3.42Å; Y125-I214 HydrophobicContact CD1-CB 3.87Å; Y125-I214 HydrophobicContact CD1-CG2 4.37Å; Y125-I214 HydrophobicContact CE1-CB 3.82Å; Y125-I214 HydrophobicContact CE1-CD1 3.93Å; Y125-I214 HydrophobicContact CE1-CG1 4.32Å; Y125-I214 HydrophobicContact CE1-CG2 4.22Å; Y125-L216 HydrophobicContact CD1-CD1 3.73Å; Y125-L216 HydrophobicContact CD1-CG 4.23Å; Y125-L216 HydrophobicContact CE1-CD1 4.25Å; Y125-F398 HydrophobicContact CE1-CE2 4.02Å; Y125-F398 AromaticContact CE1-CZ 3.71Å; Y125-F398 HydrophobicContact CE1-CZ 3.71Å
126	S	98.9	Very high	98.3	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	119.3	166.4	175.4	0	0	0	0	108.3	D196 C199 I214 N215 L216	S126-D196 WeakPolarHBondContact CB-OD1 3.43Å; S126-D196 PolarHBondContact OG-OD1 2.74Å; S126-C199 VanDerWaalsContact OG-CB 3.24Å; S126-C199 WeakPolarHBondContact OG-CB 3.49Å; S126-I214 PolarHBondContact N-O 3.19Å; S126-I214 VanDerWaalsContact N-O 3.11Å; S126-N215 CarbonylContact O-C 3.6Å; S126-N215 VanDerWaalsContact O-CA 3.26Å; S126-N215 WeakPolarHBondContact O-CA 3.11Å; S126-L216 PolarHBondContact O-N 2.85Å
127	I	98.9	Very high	98.4	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	106.1	-174.3	-43.1	179.9	0	0	0	109.3	V129 L136 L139 L140 I143 Y150 C151 I152 H153 L216	I127-V129 HydrophobicContact CG2-CG1 3.86Å; I127-L136 HydrophobicContact CG2-CD1 4.24Å; I127-L139 HydrophobicContact CG2-CD2 4.14Å; I127-L140 HydrophobicContact CD1-CD1 4.3Å; I127-I143 HydrophobicContact CD1-CD1 4.01Å; I127-Y150 HydrophobicContact CD1-CD1 4.43Å; I127-C151 PolarHBondContact N-O 2.95Å; I127-I152 HydrophobicContact CD1-CG1 4.42Å; I127-I152 CarbonylContact O-C 3.47Å; I127-I152 WeakPolarHBondContact O-CA 3.23Å; I127-H153 PolarHBondContact O-N 3.14Å; I127-L216 HydrophobicContact CG1-CD1 4.42Å; I127-L216 HydrophobicContact CG2-CB 4.32Å
128	V	98.9	Very high	98.4	Very high	15 Å²	15	24.6 Å²	24.6	9%	0.091	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	117	-178.9	-173.8	0	0	0	0	110.5	H153 A195 L216 C217 G218	V128-H153 HydrophobicContact CG2-CB 4.27Å; V128-A195 HydrophobicContact CG1-CB 4.05Å; V128-A195 HydrophobicContact CG2-CB 4.06Å; V128-L216 PolarHBondContact N-O 3.46Å; V128-C217 WeakPolarHBondContact O-CA 3.49Å; V128-G218 PolarHBondContact O-N 3.36Å
129	V	98.7	Very high	98.4	Very high	3 Å²	3	24.5 Å²	24.5	2%	0.018	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	160.4	-171.7	-61	0	0	0	0	113	I127 L136 I152 H153 V154 D155 Y162	I127-V129 HydrophobicContact CG2-CG1 3.86Å; V129-L136 HydrophobicContact CG1-CD1 4.13Å; V129-L136 HydrophobicContact CG2-CD2 4.35Å; V129-I152 HydrophobicContact CG2-CG2 3.68Å; V129-H153 PolarHBondContact N-O 3.21Å; V129-V154 HydrophobicContact CG2-CG2 4.15Å; V129-V154 WeakPolarHBondContact O-CA 3.46Å; V129-D155 PolarHBondContact O-N 3.45Å; V129-Y162 WeakPolarHBondContact CB-OH 3.42Å; V129-Y162 HydrophobicContact CG2-CE1 4.09Å; V129-Y162 WeakPolarHBondContact CG2-OH 3.31Å
130	H	98.1	Very high	98.4	Very high	100 Å²	100	22.6 Å²	22.6	46%	0.463	11%	0.106	S	C	.	.			trans	-148.4	-7.4	178.3	66	-76.8	0	0	0	115.5	D155 S158	H130-D155 HydrophobicContact CB-CB 3.66Å; H130-S158 VanDerWaalsContact CA-OG 3.27Å; H130-S158 WeakPolarHBondContact CA-OG 3.46Å; H130-S158 WeakPolarHBondContact O-CB 3.08Å; H130-S158 PolarHBondContact O-OG 3.18Å; H130-S158 VanDerWaalsContact O-OG 3.12Å
131	H	97.4	Very high	98.5	Very high	77 Å²	77	16.9 Å²	16.9	36%	0.356	8%	0.079	S	C	.	.	S	Bend	trans	-167.7	-178.9	179.7	65.9	32.8	0	0	0	111.4	Y162	H131-Y162 VanDerWaalsContact CA-CE2 3.48Å; H131-Y162 PolarHBondContact O-OH 3.24Å
132	K	97.3	Very high	98.5	Very high	58 Å²	58	17 Å²	17	25%	0.252	8%	0.084	S	C	.	.			trans	60.6	69.8	174.5	-66.5	-179.1	-176	-151.3	0	112.7	E134 M135 L136 D403 D405	K132-E134 VanDerWaalsContact C-N 3.25Å; K132-E134 PolarHBondContact O-N 3.32Å; K132-M135 HydrophobicContact CB-CB 4.04Å; K132-M135 HydrophobicContact CB-CG 4.26Å; K132-M135 HydrophobicContact CD-CG 4.49Å; K132-M135 WeakPolarHBondContact O-CB 3.48Å; K132-M135 PolarHBondContact O-N 2.96Å; K132-L136 PolarHBondContact O-N 3.02Å; K132-D403 IonicContact NZ-OD1 3.7Å; K132-D403 PolarHBondContact NZ-OD1 3.12Å; K132-D403 IonicContact NZ-OD2 3.02Å; K132-D403 PolarHBondContact NZ-OD2 3.2Å; K132-D405 WeakPolarHBondContact CE-OD2 3.42Å; K132-D405 IonicContact NZ-OD2 3.61Å; K132-D405 PolarHBondContact NZ-OD2 2.94Å
133	I	98.4	Very high	98.5	Very high	6 Å²	6	16.6 Å²	16.6	3%	0.031	8%	0.081	C	C	.	.	H	α-helix	trans	-56.8	-36.6	-175.5	-170.1	63.1	0	0	0	113.2	P90 Y93 M135 L136 D137 Y162 A165 V166 I169	P90-I133 HydrophobicContact CG-CG2 4.22Å; Y93-I133 HydrophobicContact CD1-CG1 4.32Å; Y93-I133 HydrophobicContact CD2-CB 4.2Å; Y93-I133 HydrophobicContact CD2-CG1 3.59Å; Y93-I133 HydrophobicContact CD2-CG2 3.55Å; Y93-I133 HydrophobicContact CE2-CB 4.43Å; Y93-I133 HydrophobicContact CE2-CG1 4.05Å; Y93-I133 HydrophobicContact CE2-CG2 3.75Å; Y93-I133 HydrophobicContact CG-CG1 3.74Å; Y93-I133 HydrophobicContact CG-CG2 4.5Å; I133-M135 VanDerWaalsContact C-N 3.32Å; I133-M135 PolarHBondContact O-N 3.21Å; I133-L136 HydrophobicContact CD1-CD2 4.22Å; I133-L136 PolarHBondContact O-N 3.08Å; I133-D137 PolarHBondContact O-N 3.23Å; I133-Y162 HydrophobicContact CB-CD2 4.14Å; I133-Y162 HydrophobicContact CB-CE2 4Å; I133-Y162 HydrophobicContact CD1-CD2 4.47Å; I133-Y162 HydrophobicContact CD1-CE2 4.14Å; I133-A165 HydrophobicContact CD1-CB 3.79Å; I133-A165 HydrophobicContact CG1-CB 3.9Å; I133-V166 HydrophobicContact CD1-CG2 3.93Å; I133-I169 HydrophobicContact CD1-CD1 3.7Å; I133-I169 HydrophobicContact CG1-CD1 4.19Å
134	E	96.5	Very high	98.5	Very high	21 Å²	21	17 Å²	17	10%	0.098	8%	0.083	C	C	.	.	H	α-helix	trans	-65.1	-35.4	177.1	-171.3	-176.9	159.2	0	0	112.3	W88 Y93 K132 R138	W88-E134 HydrophobicContact CE3-CG 4.07Å; Y93-E134 HydrophobicContact CE2-CB 4.47Å; K132-E134 VanDerWaalsContact C-N 3.25Å; K132-E134 PolarHBondContact O-N 3.32Å; E134-R138 WeakPolarHBondContact O-CB 3.47Å; E134-R138 WeakPolarHBondContact O-CG 3.35Å; E134-R138 PolarHBondContact O-N 3.48Å; E134-R138 IonicContact OE1-CZ 3.27Å; E134-R138 IonicContact OE1-NE 3.99Å; E134-R138 PolarHBondContact OE1-NE 3.27Å; E134-R138 IonicContact OE1-NH2 2.68Å; E134-R138 PolarHBondContact OE1-NH2 2.03Å
135	M	97.9	Very high	98.5	Very high	2 Å²	2	17.5 Å²	17.5	1%	0.01	9%	0.085	C	C	.	.	H	α-helix	trans	-66.9	-43.9	174.9	-84.4	-66.4	-67.4	0	0	111.4	K132 I133 R138 L139 F402 V404 I411	K132-M135 HydrophobicContact CB-CB 4.04Å; K132-M135 HydrophobicContact CB-CG 4.26Å; K132-M135 HydrophobicContact CD-CG 4.49Å; K132-M135 WeakPolarHBondContact O-CB 3.48Å; K132-M135 PolarHBondContact O-N 2.96Å; I133-M135 VanDerWaalsContact C-N 3.32Å; I133-M135 PolarHBondContact O-N 3.21Å; M135-R138 PolarHBondContact O-N 2.9Å; M135-L139 WeakPolarHBondContact O-CB 3.38Å; M135-L139 PolarHBondContact O-N 3.22Å; M135-F402 HydrophobicContact CE-CB 4.16Å; M135-F402 WeakPolarHBondContact CE-O 3.35Å; M135-V404 HydrophobicContact CG-CG1 4.18Å; M135-V404 HydrophobicContact CG-CG2 4.12Å; M135-V404 HydrophobicContact SD-CG1 3.62Å; M135-I411 HydrophobicContact CE-CD1 4.09Å; M135-I411 HydrophobicContact SD-CD1 3.52Å; M135-I411 VanDerWaalsContact SD-CD1 3.52Å
136	L	98.8	Very high	98.4	Very high	2 Å²	2	19.3 Å²	19.3	1%	0.01	10%	0.097	C	C	.	.	H	α-helix	trans	-60.3	-46.7	175.8	170	62.7	0	0	0	111.2	I127 V129 K132 I133 L139 L140 I152 V166	I127-L136 HydrophobicContact CG2-CD1 4.24Å; V129-L136 HydrophobicContact CG1-CD1 4.13Å; V129-L136 HydrophobicContact CG2-CD2 4.35Å; K132-L136 PolarHBondContact O-N 3.02Å; I133-L136 HydrophobicContact CD1-CD2 4.22Å; I133-L136 PolarHBondContact O-N 3.08Å; L136-L139 PolarHBondContact O-N 3.38Å; L136-L140 VanDerWaalsContact O-CB 3.31Å; L136-L140 WeakPolarHBondContact O-CB 3.36Å; L136-L140 PolarHBondContact O-N 2.9Å; L136-I152 HydrophobicContact CD1-CD1 4.44Å; L136-I152 HydrophobicContact CD2-CG2 4.47Å; L136-V166 HydrophobicContact CD2-CB 4.4Å; L136-V166 HydrophobicContact CD2-CG1 4.12Å; L136-V166 HydrophobicContact CD2-CG2 3.55Å
137	D	98.7	Very high	98.4	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-64.3	-42	179.6	171.2	51.3	0	0	0	112.1	Y93 R107 Y109 I133 L140 R141 I169	Y93-D137 HydrophobicContact CE1-CB 3.59Å; Y93-D137 VanDerWaalsContact CE1-CG 3.46Å; Y93-D137 VanDerWaalsContact CE1-OD2 3.3Å; Y93-D137 WeakPolarHBondContact CE1-OD2 3.25Å; Y93-D137 WeakPolarHBondContact OH-CB 3.46Å; Y93-D137 PolarHBondContact OH-OD2 3.36Å; R107-D137 IonicContact CZ-OD2 2.72Å; R107-D137 IonicContact NE-OD1 2.62Å; R107-D137 IonicContact NE-OD2 2.86Å; R107-D137 PolarHBondContact NE-OD2 2.83Å; R107-D137 IonicContact NH2-OD2 2.83Å; R107-D137 PolarHBondContact NH2-OD2 3.13Å; Y109-D137 WeakPolarHBondContact CE2-OD1 3.47Å; Y109-D137 PolarHBondContact OH-O 3.42Å; Y109-D137 PolarHBondContact OH-OD1 3.25Å; I133-D137 PolarHBondContact O-N 3.23Å; D137-L140 PolarHBondContact O-N 2.88Å; D137-R141 WeakPolarHBondContact O-CB 3.35Å; D137-R141 PolarHBondContact O-N 3.14Å; D137-I169 HydrophobicContact CB-CD1 4.17Å
138	R	98.3	Very high	98.4	Very high	25 Å²	25	20.6 Å²	20.6	9%	0.094	10%	0.103	C	C	.	.	H	α-helix	trans	-61.4	-45.2	173.1	-75.7	178.1	176.8	-112.2	-0.3	111.9	E134 M135 A142 F221	E134-R138 WeakPolarHBondContact O-CB 3.47Å; E134-R138 WeakPolarHBondContact O-CG 3.35Å; E134-R138 PolarHBondContact O-N 3.48Å; E134-R138 IonicContact OE1-CZ 3.27Å; E134-R138 IonicContact OE1-NE 3.99Å; E134-R138 PolarHBondContact OE1-NE 3.27Å; E134-R138 IonicContact OE1-NH2 2.68Å; E134-R138 PolarHBondContact OE1-NH2 2.03Å; M135-R138 PolarHBondContact O-N 2.9Å; R138-A142 WeakPolarHBondContact O-CB 3.23Å; R138-A142 PolarHBondContact O-N 3.02Å; R138-F221 HydrophobicContact CB-CE2 4.16Å
139	L	98.9	Very high	98.4	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-60.1	-54.2	176.7	171.7	57.3	0	0	0	110.6	I127 M135 L136 R141 A142 I143 L216 D220	I127-L139 HydrophobicContact CG2-CD2 4.14Å; M135-L139 WeakPolarHBondContact O-CB 3.38Å; M135-L139 PolarHBondContact O-N 3.22Å; L136-L139 PolarHBondContact O-N 3.38Å; L139-R141 VanDerWaalsContact C-N 3.34Å; L139-R141 PolarHBondContact O-N 2.84Å; L139-A142 PolarHBondContact O-N 2.97Å; L139-A142 VanDerWaalsContact O-N 3.09Å; L139-I143 HydrophobicContact CD1-CD1 4.41Å; L139-I143 HydrophobicContact CD1-CG2 4.21Å; L139-I143 WeakPolarHBondContact O-CG1 3.43Å; L139-I143 PolarHBondContact O-N 2.9Å; L139-I143 VanDerWaalsContact O-N 3.15Å; L139-L216 HydrophobicContact CD1-CD1 4.33Å; L139-L216 HydrophobicContact CD2-CD1 4.5Å; L139-D220 WeakPolarHBondContact CD1-O 3.16Å
140	L	98.9	Very high	98.4	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-57.5	-48.6	-179.2	-175.4	64.5	0	0	0	110	Y109 I127 L136 D137 A142 I143 Y144 Y150 I169 V176	Y109-L140 HydrophobicContact CE1-CD2 4.33Å; Y109-L140 HydrophobicContact CE1-CG 4.1Å; I127-L140 HydrophobicContact CD1-CD1 4.3Å; L136-L140 VanDerWaalsContact O-CB 3.31Å; L136-L140 WeakPolarHBondContact O-CB 3.36Å; L136-L140 PolarHBondContact O-N 2.9Å; D137-L140 PolarHBondContact O-N 2.88Å; L140-A142 VanDerWaalsContact C-N 3.29Å; L140-A142 PolarHBondContact O-N 3.48Å; L140-I143 CarbonylContact O-C 3.57Å; L140-I143 WeakPolarHBondContact O-CG1 3.47Å; L140-I143 PolarHBondContact O-N 2.99Å; L140-Y144 WeakPolarHBondContact O-CA 3.45Å; L140-Y144 WeakPolarHBondContact O-CB 3.33Å; L140-Y144 PolarHBondContact O-N 3.11Å; L140-Y150 HydrophobicContact CD1-CD1 3.85Å; L140-Y150 HydrophobicContact CD1-CE1 4.43Å; L140-Y150 HydrophobicContact CD1-CG 4.02Å; L140-I169 HydrophobicContact CD2-CG2 3.7Å; L140-V176 HydrophobicContact CD1-CG1 4.46Å; L140-V176 HydrophobicContact CD1-CG2 4.36Å; L140-V176 HydrophobicContact CD2-CG1 4.14Å
141	R	98.7	Very high	98.5	Very high	6 Å²	6	16.6 Å²	16.6	2%	0.023	8%	0.083	C	C	.	.	H	α-helix	trans	-56.5	-39.3	175.4	179.1	178.2	73	172.8	4.1	113.7	E51 R107 Y109 D137 L139 I143 D415	E51-R141 IonicContact OE1-NH1 2.84Å; E51-R141 IonicContact OE2-CZ 3.62Å; E51-R141 IonicContact OE2-NH1 3.32Å; E51-R141 PolarHBondContact OE2-NH1 2.91Å; E51-R141 IonicContact OE2-NH2 2.83Å; E51-R141 PolarHBondContact OE2-NH2 2.64Å; R107-R141 WeakPolarHBondContact O-CD 3.38Å; R107-R141 PolarHBondContact O-NH1 2.85Å; Y109-R141 HydrophobicContact CD1-CB 4.41Å; Y109-R141 VanDerWaalsContact CE1-CA 3.49Å; Y109-R141 HydrophobicContact CE1-CB 3.92Å; Y109-R141 HydrophobicContact CE2-CB 4.17Å; D137-R141 WeakPolarHBondContact O-CB 3.35Å; D137-R141 PolarHBondContact O-N 3.14Å; L139-R141 VanDerWaalsContact C-N 3.34Å; L139-R141 PolarHBondContact O-N 2.84Å; R141-I143 VanDerWaalsContact C-N 3.31Å; R141-D415 IonicContact CZ-OD2 3.67Å; R141-D415 IonicContact NE-OD2 2.79Å; R141-D415 IonicContact NH2-OD2 3.9Å; R141-D415 PolarHBondContact NH2-OD2 2.93Å
142	A	98.8	Very high	98.5	Very high	28 Å²	28	13 Å²	13	23%	0.231	7%	0.066	C	C	.	.	H	α-helix	trans	-71.2	-26.9	-178.4	0	0	0	0	0	112.7	R138 L139 L140 F221 P222	R138-A142 WeakPolarHBondContact O-CB 3.23Å; R138-A142 PolarHBondContact O-N 3.02Å; L139-A142 PolarHBondContact O-N 2.97Å; L139-A142 VanDerWaalsContact O-N 3.09Å; L140-A142 VanDerWaalsContact C-N 3.29Å; L140-A142 PolarHBondContact O-N 3.48Å; A142-F221 HydrophobicContact CB-CE1 4.04Å; A142-F221 HydrophobicContact CB-CE2 4.25Å; A142-F221 HydrophobicContact CB-CZ 3.67Å; A142-P222 HydrophobicContact CB-CG 3.75Å
143	I	98.9	Very high	98.6	Very high	5 Å²	5	10.2 Å²	10.2	3%	0.026	5%	0.054	C	C	.	.	H	α-helix	trans	-107.4	-12	-179.4	67.6	177.4	0	0	0	114.1	Y125 I127 L139 L140 R141 M145 Y150 L216 P222 F398	Y125-I143 HydrophobicContact CD1-CD1 4.2Å; Y125-I143 HydrophobicContact CE1-CD1 4.48Å; Y125-I143 HydrophobicContact CG-CD1 4.22Å; I127-I143 HydrophobicContact CD1-CD1 4.01Å; L139-I143 HydrophobicContact CD1-CD1 4.41Å; L139-I143 HydrophobicContact CD1-CG2 4.21Å; L139-I143 WeakPolarHBondContact O-CG1 3.43Å; L139-I143 PolarHBondContact O-N 2.9Å; L139-I143 VanDerWaalsContact O-N 3.15Å; L140-I143 CarbonylContact O-C 3.57Å; L140-I143 WeakPolarHBondContact O-CG1 3.47Å; L140-I143 PolarHBondContact O-N 2.99Å; R141-I143 VanDerWaalsContact C-N 3.31Å; I143-M145 PolarHBondContact O-N 3.04Å; I143-Y150 HydrophobicContact CB-CE1 4.48Å; I143-Y150 HydrophobicContact CD1-CD1 4.1Å; I143-Y150 HydrophobicContact CD1-CE1 3.89Å; I143-Y150 HydrophobicContact CG1-CD1 4.34Å; I143-Y150 HydrophobicContact CG1-CE1 3.75Å; I143-Y150 PolarHBondContact O-OH 3.39Å; I143-L216 HydrophobicContact CD1-CD1 3.59Å; I143-P222 HydrophobicContact CG2-CB 4.17Å; I143-P222 HydrophobicContact CG2-CG 3.84Å; I143-F398 HydrophobicContact CG2-CE1 3.65Å; I143-F398 HydrophobicContact CG2-CZ 3.83Å
144	Y	98.9	Very high	98.6	Very high	10 Å²	10	10 Å²	10	4%	0.039	5%	0.053	C	C	.	.			trans	-67.4	128.6	-173.1	179.6	-89.9	0	0	0	111.3	Y109 I110 V111 L140 Y150 F173 N175 V176	Y109-Y144 AromaticContact CD1-CD1 3.83Å; Y109-Y144 HydrophobicContact CD1-CD1 3.83Å; Y109-Y144 HydrophobicContact CD1-CD2 4.45Å; Y109-Y144 AromaticContact CD1-CG 3.76Å; Y109-Y144 HydrophobicContact CD1-CG 3.76Å; Y109-Y144 HydrophobicContact CE1-CG 4.21Å; I110-Y144 WeakPolarHBondContact O-CD1 3.4Å; I110-Y144 WeakPolarHBondContact O-CE1 3.43Å; V111-Y144 HydrophobicContact CG1-CE1 4.2Å; L140-Y144 WeakPolarHBondContact O-CA 3.45Å; L140-Y144 WeakPolarHBondContact O-CB 3.33Å; L140-Y144 PolarHBondContact O-N 3.11Å; Y144-Y150 VanDerWaalsContact CA-OH 3.22Å; Y144-Y150 WeakPolarHBondContact CA-OH 3.36Å; Y144-Y150 HydrophobicContact CD2-CD2 4.21Å; Y144-Y150 AromaticContact CD2-CE2 3.83Å; Y144-Y150 HydrophobicContact CD2-CE2 3.83Å; Y144-Y150 HydrophobicContact CE2-CE2 4.26Å; Y144-F173 HydrophobicContact CD2-CD1 4.35Å; Y144-F173 HydrophobicContact CD2-CG 4.48Å; Y144-F173 HydrophobicContact CE1-CD1 4.01Å; Y144-F173 HydrophobicContact CE1-CE1 4.11Å; Y144-F173 HydrophobicContact CE2-CB 3.87Å; Y144-F173 AromaticContact CE2-CD1 3.53Å; Y144-F173 HydrophobicContact CE2-CD1 3.53Å; Y144-F173 HydrophobicContact CE2-CD2 4.47Å; Y144-F173 HydrophobicContact CE2-CE1 4.14Å; Y144-F173 AromaticContact CE2-CG 3.7Å; Y144-F173 HydrophobicContact CE2-CG 3.7Å; Y144-F173 AromaticContact CZ-CD1 3.33Å; Y144-F173 AromaticContact CZ-CE1 3.88Å; Y144-F173 AromaticContact CZ-CG 3.97Å; Y144-F173 VanDerWaalsContact OH-CD1 3.29Å; Y144-F173 WeakPolarHBondContact OH-CD1 3.48Å; Y144-N175 VanDerWaalsContact CE2-OD1 3.31Å; Y144-N175 WeakPolarHBondContact CE2-OD1 3.44Å; Y144-N175 PolarHBondContact OH-OD1 3.21Å; Y144-V176 HydrophobicContact CD2-CG2 3.93Å; Y144-V176 HydrophobicContact CE2-CG2 3.75Å
145	M	98.7	Very high	98.7	Very high	9 Å²	9	9.6 Å²	9.6	4%	0.044	5%	0.052	C	C	.	.			trans	-142.2	143.4	167.6	-68.7	-65	172.1	0	0	108.4	I110 L114 I143 Q147 N148 Y150 N175 N226	I110-M145 HydrophobicContact CB-SD 4.36Å; I110-M145 HydrophobicContact CD1-CE 4.16Å; I110-M145 HydrophobicContact CG2-CE 4.41Å; I110-M145 HydrophobicContact CG2-SD 3.9Å; L114-M145 HydrophobicContact CD1-CE 3.61Å; L114-M145 HydrophobicContact CD1-SD 4.45Å; L114-M145 HydrophobicContact CG-CE 4.11Å; L114-M145 HydrophobicContact CG-SD 4.32Å; I143-M145 PolarHBondContact O-N 3.04Å; M145-Q147 PolarHBondContact O-N 2.84Å; M145-N148 PolarHBondContact O-N 2.85Å; M145-N148 VanDerWaalsContact O-N 3.17Å; M145-Y150 PolarHBondContact N-OH 3.47Å; M145-N175 PolarHBondContact O-ND2 2.63Å; M145-N175 VanDerWaalsContact O-ND2 3.11Å; M145-N226 HydrophobicContact CE-CB 3.88Å; M145-N226 HydrophobicContact CG-CB 3.91Å
146	P	98.6	Very high	98.8	Very high	39 Å²	39	13.2 Å²	13.2	25%	0.253	7%	0.074	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-22.7	-172.2	28.5	-38.4	0	0	0	114.1	P113 N175	P113-P146 HydrophobicContact CG-CG 3.89Å; P146-N175 PolarHBondContact O-ND2 3.11Å
147	Q	98.7	Very high	98.7	Very high	26 Å²	26	19.1 Å²	19.1	12%	0.121	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-18.8	177.6	70.6	-84.5	15.3	0	0	114.1	E118 P122 M145	E118-Q147 PolarHBondContact O-NE2 3.29Å; P122-Q147 WeakPolarHBondContact CB-O 3.48Å; M145-Q147 PolarHBondContact O-N 2.84Å
148	N	98.9	Very high	98.7	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.105	C	C	.	.	S	Bend	trans	-83.1	177.2	-176.7	-73.1	-14.5	0	0	0	111.3	I123 M145 Y150 N175 N226	I123-N148 PolarHBondContact N-OD1 2.99Å; I123-N148 CarbonylContact O-C 3.5Å; I123-N148 VanDerWaalsContact O-CA 3.24Å; I123-N148 WeakPolarHBondContact O-CA 3.27Å; I123-N148 WeakPolarHBondContact O-CB 3.31Å; M145-N148 PolarHBondContact O-N 2.85Å; M145-N148 VanDerWaalsContact O-N 3.17Å; N148-Y150 HydrophobicContact CB-CE2 3.63Å; N148-Y150 WeakPolarHBondContact CB-OH 3.32Å; N148-Y150 PolarHBondContact ND2-OH 3.16Å; N148-N175 VanDerWaalsContact O-CB 3.31Å; N148-N175 WeakPolarHBondContact O-CB 3.47Å; N148-N175 PolarHBondContact O-ND2 3.42Å; N148-N226 PolarHBondContact ND2-OD1 2.85Å
149	F	98.9	Very high	98.7	Very high	35 Å²	35	25.4 Å²	25.4	15%	0.154	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	138.3	179.2	-57.8	-89.7	0	0	0	110.8	P122 I123 A124 Y125 L203 M206 S207 W210	P122-F149 HydrophobicContact CB-CE2 4.07Å; I123-F149 PolarHBondContact O-N 3Å; A124-F149 CarbonylContact C-O 3.57Å; A124-F149 WeakPolarHBondContact CA-O 3.36Å; A124-F149 HydrophobicContact CB-CB 4.38Å; Y125-F149 PolarHBondContact N-O 2.88Å; F149-L203 HydrophobicContact CB-CD2 3.67Å; F149-M206 HydrophobicContact CD1-CG 4.29Å; F149-M206 HydrophobicContact CD1-SD 3.85Å; F149-M206 HydrophobicContact CE1-CG 4.48Å; F149-M206 HydrophobicContact CE1-SD 4.47Å; F149-S207 VanDerWaalsContact CZ-CB 3.47Å; F149-S207 VanDerWaalsContact CZ-OG 3.25Å; F149-S207 WeakPolarHBondContact CZ-OG 3.43Å; F149-W210 HydrophobicContact CD2-CB 3.85Å; F149-W210 AromaticContact CD2-CD1 3.83Å; F149-W210 HydrophobicContact CD2-CG 4.16Å; F149-W210 HydrophobicContact CE2-CB 4.02Å; F149-W210 HydrophobicContact CE2-CG 4.48Å
150	Y	98.9	Very high	98.7	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	110.5	-173.6	-52.8	-92.2	0	0	0	110.6	Y125 I127 L140 I143 Y144 M145 N148 N175 V176 F177	Y125-Y150 AromaticContact CD2-CD1 3.7Å; Y125-Y150 HydrophobicContact CD2-CD1 3.7Å; Y125-Y150 AromaticContact CD2-CE1 3.3Å; Y125-Y150 HydrophobicContact CD2-CE1 3.3Å; Y125-Y150 AromaticContact CE2-CE1 3.82Å; Y125-Y150 HydrophobicContact CE2-CE1 3.82Å; Y125-Y150 HydrophobicContact CG-CD1 4.07Å; Y125-Y150 HydrophobicContact CG-CE1 4.04Å; I127-Y150 HydrophobicContact CD1-CD1 4.43Å; L140-Y150 HydrophobicContact CD1-CD1 3.85Å; L140-Y150 HydrophobicContact CD1-CE1 4.43Å; L140-Y150 HydrophobicContact CD1-CG 4.02Å; I143-Y150 HydrophobicContact CB-CE1 4.48Å; I143-Y150 HydrophobicContact CD1-CD1 4.1Å; I143-Y150 HydrophobicContact CD1-CE1 3.89Å; I143-Y150 HydrophobicContact CG1-CD1 4.34Å; I143-Y150 HydrophobicContact CG1-CE1 3.75Å; I143-Y150 PolarHBondContact O-OH 3.39Å; Y144-Y150 VanDerWaalsContact CA-OH 3.22Å; Y144-Y150 WeakPolarHBondContact CA-OH 3.36Å; Y144-Y150 HydrophobicContact CD2-CD2 4.21Å; Y144-Y150 AromaticContact CD2-CE2 3.83Å; Y144-Y150 HydrophobicContact CD2-CE2 3.83Å; Y144-Y150 HydrophobicContact CE2-CE2 4.26Å; M145-Y150 PolarHBondContact N-OH 3.47Å; N148-Y150 HydrophobicContact CB-CE2 3.63Å; N148-Y150 WeakPolarHBondContact CB-OH 3.32Å; N148-Y150 PolarHBondContact ND2-OH 3.16Å; Y150-N175 PolarHBondContact N-O 2.81Å; Y150-V176 HydrophobicContact CD2-CG2 3.77Å; Y150-V176 HydrophobicContact CG-CG2 4.12Å; Y150-V176 WeakPolarHBondContact O-CA 3.44Å; Y150-F177 WeakPolarHBondContact O-CD1 3.42Å; Y150-F177 PolarHBondContact O-N 2.93Å
151	C	98.9	Very high	98.6	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	125.7	168.7	178.4	0	0	0	0	109.5	Y125 I127 F177 A179 C199 L203	Y125-C151 PolarHBondContact O-N 3.26Å; I127-C151 PolarHBondContact N-O 2.95Å; C151-F177 WeakPolarHBondContact CA-O 3.48Å; C151-F177 HydrophobicContact CB-CD2 4.49Å; C151-F177 HydrophobicContact CB-CE1 4.26Å; C151-F177 HydrophobicContact CB-CE2 3.71Å; C151-F177 HydrophobicContact CB-CZ 3.6Å; C151-A179 VanDerWaalsContact SG-CB 3.59Å; C151-C199 HydrophobicContact CB-CB 3.61Å; C151-C199 WeakPolarHBondContact CB-SG 3.45Å; C151-C199 WeakPolarHBondContact SG-CA 3.36Å; C151-C199 WeakPolarHBondContact SG-CB 3.2Å; C151-C199 CovalentContact SG-SG 2.04Å; C151-C199 PolarHBondContact SG-SG 3.21Å; C151-L203 HydrophobicContact CB-CD1 3.8Å; C151-L203 HydrophobicContact CB-CD2 4.03Å; C151-L203 HydrophobicContact CB-CG 3.79Å
152	I	98.9	Very high	98.7	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	114	177.4	-52.9	174.7	0	0	0	108.5	I127 V129 L136 V154 V166 V176 F177 V178 A179	I127-I152 HydrophobicContact CD1-CG1 4.42Å; I127-I152 CarbonylContact O-C 3.47Å; I127-I152 WeakPolarHBondContact O-CA 3.23Å; V129-I152 HydrophobicContact CG2-CG2 3.68Å; L136-I152 HydrophobicContact CD1-CD1 4.44Å; L136-I152 HydrophobicContact CD2-CG2 4.47Å; I152-V154 HydrophobicContact CG2-CG2 4.24Å; I152-V166 HydrophobicContact CB-CG1 4.25Å; I152-V166 HydrophobicContact CD1-CG1 4.1Å; I152-V166 HydrophobicContact CG2-CG1 3.73Å; I152-V176 HydrophobicContact CD1-CG1 3.73Å; I152-V176 HydrophobicContact CG1-CG1 4.35Å; I152-F177 PolarHBondContact N-O 2.98Å; I152-V178 CarbonylContact O-C 3.6Å; I152-V178 VanDerWaalsContact O-CA 3.29Å; I152-V178 WeakPolarHBondContact O-CA 3.01Å; I152-A179 PolarHBondContact O-N 2.9Å
153	H	98.9	Very high	98.7	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	113.8	171.2	179.9	-69	0	0	0	109.6	I127 V128 V129 A179 E183 A195	I127-H153 PolarHBondContact O-N 3.14Å; V128-H153 HydrophobicContact CG2-CB 4.27Å; V129-H153 PolarHBondContact N-O 3.21Å; H153-A179 HydrophobicContact CB-CB 4.33Å; H153-E183 PolarHBondContact CE1-N 3.12Å; H153-E183 VanDerWaalsContact CE1-N 3.29Å; H153-E183 PolarHBondContact NE2-N 3.4Å; H153-A195 HydrophobicContact CB-CB 4.48Å
154	V	98.9	Very high	98.6	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.006	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	125.6	174.1	-177.4	0	0	0	0	109.4	V129 I152 T156 Y162 L163 V166 L182	V129-V154 HydrophobicContact CG2-CG2 4.15Å; V129-V154 WeakPolarHBondContact O-CA 3.46Å; I152-V154 HydrophobicContact CG2-CG2 4.24Å; V154-T156 PolarHBondContact O-N 3.26Å; V154-Y162 HydrophobicContact CG1-CD1 3.91Å; V154-Y162 HydrophobicContact CG1-CE1 3.96Å; V154-L163 HydrophobicContact CB-CD1 3.96Å; V154-L163 HydrophobicContact CG1-CB 4.35Å; V154-L163 HydrophobicContact CG1-CD1 4.07Å; V154-L163 HydrophobicContact CG2-CD1 3.99Å; V154-V166 HydrophobicContact CG2-CB 4.06Å; V154-V166 HydrophobicContact CG2-CG1 3.79Å; V154-V166 HydrophobicContact CG2-CG2 4.04Å; V154-L182 HydrophobicContact CB-CD1 4.46Å; V154-L182 WeakPolarHBondContact O-CD2 3.33Å
155	D	98.6	Very high	98.6	Very high	14 Å²	14	35.9 Å²	35.9	8%	0.075	19%	0.193	C	C	.	.			trans	-58.3	131.9	173.6	-171.5	-43.3	0	0	0	110	V129 H130 K157 S158 V185	V129-D155 PolarHBondContact O-N 3.45Å; H130-D155 HydrophobicContact CB-CB 3.66Å; D155-K157 PolarHBondContact O-N 3.24Å; D155-K157 VanDerWaalsContact O-N 3.09Å; D155-K157 WeakPolarHBondContact OD1-CB 3.44Å; D155-K157 WeakPolarHBondContact OD1-CE 3.17Å; D155-K157 WeakPolarHBondContact OD1-CG 3.31Å; D155-K157 PolarHBondContact OD1-N 3.38Å; D155-K157 WeakPolarHBondContact OD2-CE 3.25Å; D155-K157 IonicContact OD2-NZ 3.43Å; D155-S158 VanDerWaalsContact O-CB 3.24Å; D155-S158 WeakPolarHBondContact O-CB 3.35Å; D155-S158 PolarHBondContact O-N 3.41Å; D155-S158 PolarHBondContact O-OG 3.26Å; D155-V185 PolarHBondContact OD1-N 2.91Å; D155-V185 WeakPolarHBondContact OD2-CA 3.39Å; D155-V185 VanDerWaalsContact OD2-CB 3.25Å; D155-V185 WeakPolarHBondContact OD2-CB 3.4Å; D155-V185 PolarHBondContact OD2-N 3.18Å
156	T	98.4	Very high	98.7	Very high	78 Å²	78	35.5 Å²	35.5	48%	0.479	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-11.6	-178.4	57.9	0	0	0	0	114.1	V154 L182 E183 S184	V154-T156 PolarHBondContact O-N 3.26Å; T156-L182 HydrophobicContact CG2-CB 3.49Å; T156-L182 VanDerWaalsContact CG2-CB 3.49Å; T156-L182 WeakPolarHBondContact CG2-O 3.35Å; T156-E183 PolarHBondContact N-O 3.4Å; T156-S184 WeakPolarHBondContact OG1-CA 3.15Å; T156-S184 VanDerWaalsContact OG1-CB 3.25Å; T156-S184 WeakPolarHBondContact OG1-CB 3.26Å; T156-S184 PolarHBondContact OG1-N 3.25Å
157	K	97.9	Very high	98.7	Very high	125 Å²	125	38.7 Å²	38.7	54%	0.543	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-2.7	172	-59.7	174.7	-70.9	173.1	0	113.8	D155 S184 V185	D155-K157 PolarHBondContact O-N 3.24Å; D155-K157 VanDerWaalsContact O-N 3.09Å; D155-K157 WeakPolarHBondContact OD1-CB 3.44Å; D155-K157 WeakPolarHBondContact OD1-CE 3.17Å; D155-K157 WeakPolarHBondContact OD1-CG 3.31Å; D155-K157 PolarHBondContact OD1-N 3.38Å; D155-K157 WeakPolarHBondContact OD2-CE 3.25Å; D155-K157 IonicContact OD2-NZ 3.43Å; K157-S184 WeakPolarHBondContact CD-OG 3.43Å; K157-V185 WeakPolarHBondContact CE-O 3.02Å; K157-V185 PolarHBondContact NZ-O 3.31Å
158	S	98.1	Very high	98.7	Very high	16 Å²	16	38 Å²	38	11%	0.112	20%	0.204	C	C	.	.	S	Bend	trans	-66	156	175.8	-48.2	0	0	0	0	110.3	H130 D155	H130-S158 VanDerWaalsContact CA-OG 3.27Å; H130-S158 WeakPolarHBondContact CA-OG 3.46Å; H130-S158 WeakPolarHBondContact O-CB 3.08Å; H130-S158 PolarHBondContact O-OG 3.18Å; H130-S158 VanDerWaalsContact O-OG 3.12Å; D155-S158 VanDerWaalsContact O-CB 3.24Å; D155-S158 WeakPolarHBondContact O-CB 3.35Å; D155-S158 PolarHBondContact O-N 3.41Å; D155-S158 PolarHBondContact O-OG 3.26Å
159	E	98.2	Very high	98.7	Very high	141 Å²	141	38 Å²	38	66%	0.659	20%	0.204	S	C	*	.			trans	-59.4	143	173.1	-63.6	-179.1	177.6	0	0	111.1	S161 Y162 L163	E159-S161 PolarHBondContact O-N 3.01Å; E159-Y162 WeakPolarHBondContact O-CA 3.26Å; E159-Y162 VanDerWaalsContact O-CB 3.27Å; E159-Y162 WeakPolarHBondContact O-CB 3.34Å; E159-Y162 PolarHBondContact O-N 3.34Å; E159-L163 PolarHBondContact O-N 3.42Å; E159-L163 VanDerWaalsContact O-N 3.14Å
160	D	98.4	Very high	98.7	Very high	142 Å²	142	36.7 Å²	36.7	76%	0.759	20%	0.199	S	C	*	.	H	α-helix	trans	-58	-36.8	179.3	-68.5	-27.1	0	0	0	112.1	Y162 L163 A164	D160-Y162 VanDerWaalsContact C-N 3.29Å; D160-Y162 PolarHBondContact O-N 2.98Å; D160-L163 PolarHBondContact O-N 3.31Å; D160-A164 WeakPolarHBondContact O-CB 3.09Å; D160-A164 PolarHBondContact O-N 2.96Å
161	S	98.5	Very high	98.7	Very high	33 Å²	33	40.8 Å²	40.8	23%	0.231	23%	0.228	C	C	.	.	H	α-helix	trans	-62	-36.5	174.8	61.9	0	0	0	0	111.8	P90 E159 A165	P90-S161 WeakPolarHBondContact CB-O 3.49Å; E159-S161 PolarHBondContact O-N 3.01Å; S161-A165 WeakPolarHBondContact O-CB 3.44Å; S161-A165 PolarHBondContact O-N 3.09Å
162	Y	98.8	Very high	98.7	Very high	5 Å²	5	41.5 Å²	41.5	2%	0.02	23%	0.233	C	C	.	.	H	α-helix	trans	-65.8	-49.6	175.3	-178.1	-98	0	0	0	110.8	V129 H131 I133 V154 E159 D160 A164 A165 V166	V129-Y162 WeakPolarHBondContact CB-OH 3.42Å; V129-Y162 HydrophobicContact CG2-CE1 4.09Å; V129-Y162 WeakPolarHBondContact CG2-OH 3.31Å; H131-Y162 VanDerWaalsContact CA-CE2 3.48Å; H131-Y162 PolarHBondContact O-OH 3.24Å; I133-Y162 HydrophobicContact CB-CD2 4.14Å; I133-Y162 HydrophobicContact CB-CE2 4Å; I133-Y162 HydrophobicContact CD1-CD2 4.47Å; I133-Y162 HydrophobicContact CD1-CE2 4.14Å; V154-Y162 HydrophobicContact CG1-CD1 3.91Å; V154-Y162 HydrophobicContact CG1-CE1 3.96Å; E159-Y162 WeakPolarHBondContact O-CA 3.26Å; E159-Y162 VanDerWaalsContact O-CB 3.27Å; E159-Y162 WeakPolarHBondContact O-CB 3.34Å; E159-Y162 PolarHBondContact O-N 3.34Å; D160-Y162 VanDerWaalsContact C-N 3.29Å; D160-Y162 PolarHBondContact O-N 2.98Å; Y162-A164 VanDerWaalsContact C-N 3.34Å; Y162-A164 PolarHBondContact O-N 3.27Å; Y162-A165 PolarHBondContact O-N 3.41Å; Y162-V166 HydrophobicContact CD1-CG2 4.19Å; Y162-V166 HydrophobicContact CE1-CG2 3.78Å; Y162-V166 HydrophobicContact CE2-CG2 4.4Å; Y162-V166 WeakPolarHBondContact O-CG2 3.34Å; Y162-V166 PolarHBondContact O-N 2.87Å
163	L	98.8	Very high	98.6	Very high	49 Å²	49	42 Å²	42	26%	0.257	24%	0.235	S	C	.	.	H	α-helix	trans	-58	-46.4	176	175.4	59.7	0	0	0	111.4	V154 E159 D160 A165 V166 M167 V178 L182	V154-L163 HydrophobicContact CB-CD1 3.96Å; V154-L163 HydrophobicContact CG1-CB 4.35Å; V154-L163 HydrophobicContact CG1-CD1 4.07Å; V154-L163 HydrophobicContact CG2-CD1 3.99Å; E159-L163 PolarHBondContact O-N 3.42Å; E159-L163 VanDerWaalsContact O-N 3.14Å; D160-L163 PolarHBondContact O-N 3.31Å; L163-A165 VanDerWaalsContact C-N 3.33Å; L163-A165 PolarHBondContact O-N 2.92Å; L163-V166 PolarHBondContact O-N 3.2Å; L163-M167 HydrophobicContact CD1-CG 4.16Å; L163-M167 HydrophobicContact CD1-SD 4.21Å; L163-M167 HydrophobicContact CG-CG 4.5Å; L163-M167 HydrophobicContact CG-SD 4.1Å; L163-M167 WeakPolarHBondContact O-CG 3.43Å; L163-M167 PolarHBondContact O-N 2.91Å; L163-V178 HydrophobicContact CD1-CG1 4.38Å; L163-L182 HydrophobicContact CD1-CD1 4.26Å
164	A	98.8	Very high	98.6	Very high	41 Å²	41	48.1 Å²	48.1	34%	0.339	28%	0.277	S	S	.	.	H	α-helix	trans	-59.9	-41.1	177.7	0	0	0	0	0	112.4	I94 D160 Y162 M167 G168	I94-A164 HydrophobicContact CD1-CB 3.7Å; I94-A164 HydrophobicContact CG1-CB 4.2Å; D160-A164 WeakPolarHBondContact O-CB 3.09Å; D160-A164 PolarHBondContact O-N 2.96Å; Y162-A164 VanDerWaalsContact C-N 3.34Å; Y162-A164 PolarHBondContact O-N 3.27Å; A164-M167 PolarHBondContact O-N 3.38Å; A164-G168 PolarHBondContact O-N 2.89Å
165	A	98.9	Very high	98.6	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-64.7	-42.3	175.1	0	0	0	0	0	112.4	P90 I94 I133 S161 Y162 L163 G168 I169	P90-A165 HydrophobicContact CB-CB 3.91Å; P90-A165 WeakPolarHBondContact O-CB 3.45Å; I94-A165 HydrophobicContact CG1-CB 4.03Å; I133-A165 HydrophobicContact CD1-CB 3.79Å; I133-A165 HydrophobicContact CG1-CB 3.9Å; S161-A165 WeakPolarHBondContact O-CB 3.44Å; S161-A165 PolarHBondContact O-N 3.09Å; Y162-A165 PolarHBondContact O-N 3.41Å; L163-A165 VanDerWaalsContact C-N 3.33Å; L163-A165 PolarHBondContact O-N 2.92Å; A165-G168 PolarHBondContact O-N 3.33Å; A165-I169 WeakPolarHBondContact O-CG1 3.21Å; A165-I169 PolarHBondContact O-N 3.48Å
166	V	98.9	Very high	98.6	Very high	0 Å²	0	48 Å²	48	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-61.8	-44.6	175	177.9	0	0	0	0	110.9	I133 L136 I152 V154 Y162 L163 G168 I169 A170 V178	I133-V166 HydrophobicContact CD1-CG2 3.93Å; L136-V166 HydrophobicContact CD2-CB 4.4Å; L136-V166 HydrophobicContact CD2-CG1 4.12Å; L136-V166 HydrophobicContact CD2-CG2 3.55Å; I152-V166 HydrophobicContact CB-CG1 4.25Å; I152-V166 HydrophobicContact CD1-CG1 4.1Å; I152-V166 HydrophobicContact CG2-CG1 3.73Å; V154-V166 HydrophobicContact CG2-CB 4.06Å; V154-V166 HydrophobicContact CG2-CG1 3.79Å; V154-V166 HydrophobicContact CG2-CG2 4.04Å; Y162-V166 HydrophobicContact CD1-CG2 4.19Å; Y162-V166 HydrophobicContact CE1-CG2 3.78Å; Y162-V166 HydrophobicContact CE2-CG2 4.4Å; Y162-V166 WeakPolarHBondContact O-CG2 3.34Å; Y162-V166 PolarHBondContact O-N 2.87Å; L163-V166 PolarHBondContact O-N 3.2Å; V166-G168 VanDerWaalsContact C-N 3.32Å; V166-G168 PolarHBondContact O-N 2.72Å; V166-I169 PolarHBondContact O-N 2.78Å; V166-A170 WeakPolarHBondContact O-CB 3.47Å; V166-A170 PolarHBondContact O-N 2.83Å; V166-V178 HydrophobicContact CG1-CG2 3.85Å
167	M	98.8	Very high	98.6	Very high	106 Å²	106	46 Å²	46	52%	0.522	26%	0.262	S	S	.	.	H	α-helix	trans	-62.1	-40.3	175.9	-69.8	178.7	77.4	0	0	111.7	L163 A164 A170 S171 V178	L163-M167 HydrophobicContact CD1-CG 4.16Å; L163-M167 HydrophobicContact CD1-SD 4.21Å; L163-M167 HydrophobicContact CG-CG 4.5Å; L163-M167 HydrophobicContact CG-SD 4.1Å; L163-M167 WeakPolarHBondContact O-CG 3.43Å; L163-M167 PolarHBondContact O-N 2.91Å; A164-M167 PolarHBondContact O-N 3.38Å; M167-A170 PolarHBondContact O-N 2.92Å; M167-S171 WeakPolarHBondContact O-CB 3.4Å; M167-S171 PolarHBondContact O-N 3.48Å; M167-V178 HydrophobicContact CG-CG2 3.94Å
168	G	98.8	Very high	98.7	Very high	12 Å²	12	41.6 Å²	41.6	12%	0.124	25%	0.245	C	C	.	.	H	α-helix	trans	-57.4	-51.1	173.5	0	0	0	0	0	112.1	T97 A164 A165 V166 A170 S171	T97-G168 WeakPolarHBondContact CB-O 3.35Å; T97-G168 WeakPolarHBondContact OG1-CA 3.37Å; A164-G168 PolarHBondContact O-N 2.89Å; A165-G168 PolarHBondContact O-N 3.33Å; V166-G168 VanDerWaalsContact C-N 3.32Å; V166-G168 PolarHBondContact O-N 2.72Å; G168-A170 PolarHBondContact O-N 3.33Å; G168-S171 PolarHBondContact O-N 3.27Å; G168-S171 PolarHBondContact O-OG 2.98Å
169	I	98.9	Very high	98.7	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.005	24%	0.243	C	C	.	.	H	α-helix	trans	-60.2	-49.2	177.3	-64.5	171.1	0	0	0	110.8	Y93 T97 F103 I133 D137 L140 A165 V166 S171 C172 F173	Y93-I169 HydrophobicContact CD1-CD1 3.66Å; Y93-I169 HydrophobicContact CD1-CG1 3.95Å; Y93-I169 HydrophobicContact CE1-CD1 4.04Å; Y93-I169 HydrophobicContact CG-CD1 4.38Å; T97-I169 HydrophobicContact CG2-CG1 3.97Å; F103-I169 HydrophobicContact CE1-CG2 4.27Å; F103-I169 HydrophobicContact CZ-CG1 3.99Å; F103-I169 HydrophobicContact CZ-CG2 4.24Å; I133-I169 HydrophobicContact CD1-CD1 3.7Å; I133-I169 HydrophobicContact CG1-CD1 4.19Å; D137-I169 HydrophobicContact CB-CD1 4.17Å; L140-I169 HydrophobicContact CD2-CG2 3.7Å; A165-I169 WeakPolarHBondContact O-CG1 3.21Å; A165-I169 PolarHBondContact O-N 3.48Å; V166-I169 PolarHBondContact O-N 2.78Å; I169-S171 VanDerWaalsContact C-N 3.28Å; I169-S171 PolarHBondContact O-N 3.22Å; I169-C172 WeakPolarHBondContact O-CB 3.45Å; I169-C172 PolarHBondContact O-N 2.04Å; I169-C172 VanDerWaalsContact O-N 3.16Å; I169-F173 HydrophobicContact CG2-CE2 4.17Å; I169-F173 VanDerWaalsContact O-CD2 3.27Å; I169-F173 WeakPolarHBondContact O-CD2 3.42Å; I169-F173 WeakPolarHBondContact O-CE2 3.4Å
170	A	98.8	Very high	98.7	Very high	7 Å²	7	38.6 Å²	38.6	6%	0.058	24%	0.24	C	C	.	.	H	α-helix	trans	-59.5	-39.1	-178.9	0	0	0	0	0	111.9	V166 M167 G168 C172 F173 V176	V166-A170 WeakPolarHBondContact O-CB 3.47Å; V166-A170 PolarHBondContact O-N 2.83Å; M167-A170 PolarHBondContact O-N 2.92Å; G168-A170 PolarHBondContact O-N 3.33Å; A170-C172 PolarHBondContact O-N 3.38Å; A170-F173 PolarHBondContact O-N 3.08Å; A170-V176 HydrophobicContact CB-CG1 3.96Å
171	S	98.7	Very high	98.7	Very high	85 Å²	85	38.9 Å²	38.9	59%	0.594	23%	0.231	S	C	*	.	H	α-helix	trans	-60.9	-19.7	179.9	77.8	0	0	0	0	114.5	M167 G168 I169 F173	M167-S171 WeakPolarHBondContact O-CB 3.4Å; M167-S171 PolarHBondContact O-N 3.48Å; G168-S171 PolarHBondContact O-N 3.27Å; G168-S171 PolarHBondContact O-OG 2.98Å; I169-S171 VanDerWaalsContact C-N 3.28Å; I169-S171 PolarHBondContact O-N 3.22Å; S171-F173 VanDerWaalsContact C-N 3.28Å; S171-F173 PolarHBondContact O-N 3.41Å
172	C	98.8	Very high	98.8	Very high	15 Å²	15	39.8 Å²	39.8	10%	0.101	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-6.9	177.8	-63.6	0	0	0	0	114.3	C100 F103 I104 I169 A170	C100-C172 WeakPolarHBondContact CA-SG 3.31Å; C100-C172 HydrophobicContact CB-CB 3.57Å; C100-C172 WeakPolarHBondContact CB-SG 3.29Å; C100-C172 WeakPolarHBondContact SG-CA 3.35Å; C100-C172 WeakPolarHBondContact SG-CB 3.38Å; C100-C172 CovalentContact SG-SG 2.05Å; C100-C172 PolarHBondContact SG-SG 3.2Å; F103-C172 HydrophobicContact CD1-CB 4.33Å; I104-C172 HydrophobicContact CD1-CB 4.42Å; I169-C172 WeakPolarHBondContact O-CB 3.45Å; I169-C172 PolarHBondContact O-N 2.04Å; I169-C172 VanDerWaalsContact O-N 3.16Å; A170-C172 PolarHBondContact O-N 3.38Å
173	F	98.7	Very high	98.8	Very high	12 Å²	12	42.1 Å²	42.1	5%	0.053	24%	0.244	C	C	.	.			trans	-134.7	134	-177.5	-48.8	-79.3	0	0	0	110.7	F103 I104 Y109 Y144 I169 A170 S171 N175 V176	F103-F173 HydrophobicContact CE1-CE2 4.17Å; F103-F173 HydrophobicContact CE1-CZ 4.2Å; I104-F173 HydrophobicContact CD1-CD1 4.35Å; I104-F173 HydrophobicContact CD1-CE1 3.95Å; I104-F173 HydrophobicContact CG1-CE1 3.71Å; I104-F173 HydrophobicContact CG1-CZ 3.96Å; Y109-F173 AromaticContact CD1-CE1 3.75Å; Y109-F173 HydrophobicContact CD1-CE1 3.75Å; Y109-F173 HydrophobicContact CD1-CE2 4.28Å; Y109-F173 AromaticContact CD1-CZ 3.4Å; Y109-F173 HydrophobicContact CD1-CZ 3.4Å; Y109-F173 VanDerWaalsContact CD1-CZ 3.4Å; Y109-F173 AromaticContact CD2-CZ 3.83Å; Y109-F173 HydrophobicContact CD2-CZ 3.83Å; Y109-F173 HydrophobicContact CE1-CE1 4.33Å; Y109-F173 HydrophobicContact CE1-CE2 4.03Å; Y109-F173 AromaticContact CE1-CZ 3.59Å; Y109-F173 HydrophobicContact CE1-CZ 3.59Å; Y109-F173 HydrophobicContact CE2-CZ 4.01Å; Y109-F173 AromaticContact CG-CE1 3.86Å; Y109-F173 HydrophobicContact CG-CE1 3.86Å; Y109-F173 AromaticContact CG-CZ 3.54Å; Y109-F173 HydrophobicContact CG-CZ 3.54Å; Y109-F173 AromaticContact CZ-CZ 3.9Å; Y144-F173 HydrophobicContact CD2-CD1 4.35Å; Y144-F173 HydrophobicContact CD2-CG 4.48Å; Y144-F173 HydrophobicContact CE1-CD1 4.01Å; Y144-F173 HydrophobicContact CE1-CE1 4.11Å; Y144-F173 HydrophobicContact CE2-CB 3.87Å; Y144-F173 AromaticContact CE2-CD1 3.53Å; Y144-F173 HydrophobicContact CE2-CD1 3.53Å; Y144-F173 HydrophobicContact CE2-CD2 4.47Å; Y144-F173 HydrophobicContact CE2-CE1 4.14Å; Y144-F173 AromaticContact CE2-CG 3.7Å; Y144-F173 HydrophobicContact CE2-CG 3.7Å; Y144-F173 AromaticContact CZ-CD1 3.33Å; Y144-F173 AromaticContact CZ-CE1 3.88Å; Y144-F173 AromaticContact CZ-CG 3.97Å; Y144-F173 VanDerWaalsContact OH-CD1 3.29Å; Y144-F173 WeakPolarHBondContact OH-CD1 3.48Å; I169-F173 HydrophobicContact CG2-CE2 4.17Å; I169-F173 VanDerWaalsContact O-CD2 3.27Å; I169-F173 WeakPolarHBondContact O-CD2 3.42Å; I169-F173 WeakPolarHBondContact O-CE2 3.4Å; A170-F173 PolarHBondContact O-N 3.08Å; S171-F173 VanDerWaalsContact C-N 3.28Å; S171-F173 PolarHBondContact O-N 3.41Å; F173-N175 PolarHBondContact O-N 2.95Å; F173-V176 HydrophobicContact CB-CB 3.92Å; F173-V176 HydrophobicContact CB-CG2 3.57Å; F173-V176 HydrophobicContact CD2-CB 4.32Å; F173-V176 HydrophobicContact CD2-CG2 3.95Å; F173-V176 HydrophobicContact CG-CG2 3.97Å
174	S	97.9	Very high	98.7	Very high	127 Å²	127	42.2 Å²	42.2	89%	0.888	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-17.3	-178.7	54.6	0	0	0	0	114.1
175	N	98.7	Very high	98.7	Very high	8 Å²	8	41.4 Å²	41.4	4%	0.043	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.4	8.3	-176.3	64.9	-32	0	0	0	113.4	Y144 M145 P146 N148 Y150 F173	Y144-N175 VanDerWaalsContact CE2-OD1 3.31Å; Y144-N175 WeakPolarHBondContact CE2-OD1 3.44Å; Y144-N175 PolarHBondContact OH-OD1 3.21Å; M145-N175 PolarHBondContact O-ND2 2.63Å; M145-N175 VanDerWaalsContact O-ND2 3.11Å; P146-N175 PolarHBondContact O-ND2 3.11Å; N148-N175 VanDerWaalsContact O-CB 3.31Å; N148-N175 WeakPolarHBondContact O-CB 3.47Å; N148-N175 PolarHBondContact O-ND2 3.42Å; Y150-N175 PolarHBondContact N-O 2.81Å; F173-N175 PolarHBondContact O-N 2.95Å
176	V	98.9	Very high	98.7	Very high	6 Å²	6	42.2 Å²	42.2	4%	0.036	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	130.7	173.5	-174.7	0	0	0	0	108.4	L140 Y144 Y150 I152 A170 F173	L140-V176 HydrophobicContact CD1-CG1 4.46Å; L140-V176 HydrophobicContact CD1-CG2 4.36Å; L140-V176 HydrophobicContact CD2-CG1 4.14Å; Y144-V176 HydrophobicContact CD2-CG2 3.93Å; Y144-V176 HydrophobicContact CE2-CG2 3.75Å; Y150-V176 HydrophobicContact CD2-CG2 3.77Å; Y150-V176 HydrophobicContact CG-CG2 4.12Å; Y150-V176 WeakPolarHBondContact O-CA 3.44Å; I152-V176 HydrophobicContact CD1-CG1 3.73Å; I152-V176 HydrophobicContact CG1-CG1 4.35Å; A170-V176 HydrophobicContact CB-CG1 3.96Å; F173-V176 HydrophobicContact CB-CB 3.92Å; F173-V176 HydrophobicContact CB-CG2 3.57Å; F173-V176 HydrophobicContact CD2-CB 4.32Å; F173-V176 HydrophobicContact CD2-CG2 3.95Å; F173-V176 HydrophobicContact CG-CG2 3.97Å
177	F	98.9	Very high	98.6	Very high	35 Å²	35	49.3 Å²	49.3	15%	0.154	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	155	-178.9	61.2	-81.8	0	0	0	111.4	Y150 C151 I152 D202 L203 M206	Y150-F177 WeakPolarHBondContact O-CD1 3.42Å; Y150-F177 PolarHBondContact O-N 2.93Å; C151-F177 WeakPolarHBondContact CA-O 3.48Å; C151-F177 HydrophobicContact CB-CD2 4.49Å; C151-F177 HydrophobicContact CB-CE1 4.26Å; C151-F177 HydrophobicContact CB-CE2 3.71Å; C151-F177 HydrophobicContact CB-CZ 3.6Å; I152-F177 PolarHBondContact N-O 2.98Å; F177-D202 HydrophobicContact CE2-CB 3.53Å; F177-D202 HydrophobicContact CZ-CB 3.96Å; F177-L203 HydrophobicContact CE1-CD2 3.85Å; F177-L203 HydrophobicContact CZ-CD2 3.74Å; F177-L203 HydrophobicContact CZ-CG 4.06Å; F177-M206 HydrophobicContact CD1-CE 3.3Å; F177-M206 HydrophobicContact CD1-SD 3.87Å; F177-M206 HydrophobicContact CD2-CE 4.26Å; F177-M206 HydrophobicContact CE1-CE 3.17Å; F177-M206 HydrophobicContact CE1-SD 3.4Å; F177-M206 WeakPolarHBondContact CE1-SD 3.04Å; F177-M206 HydrophobicContact CE2-CE 4.16Å; F177-M206 HydrophobicContact CG-CE 3.86Å; F177-M206 HydrophobicContact CZ-CE 3.62Å; F177-M206 HydrophobicContact CZ-SD 4.14Å
178	V	98.9	Very high	98.5	Very high	33 Å²	33	44.5 Å²	44.5	20%	0.2	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	138	169.7	177.5	0	0	0	0	108.6	I152 L163 V166 M167 L182	I152-V178 CarbonylContact O-C 3.6Å; I152-V178 VanDerWaalsContact O-CA 3.29Å; I152-V178 WeakPolarHBondContact O-CA 3.01Å; L163-V178 HydrophobicContact CD1-CG1 4.38Å; V166-V178 HydrophobicContact CG1-CG2 3.85Å; M167-V178 HydrophobicContact CG-CG2 3.94Å; V178-L182 HydrophobicContact CG1-CD1 4.33Å; V178-L182 HydrophobicContact CG1-CD2 3.98Å
179	A	98.8	Very high	98.5	Very high	7 Å²	7	44.3 Å²	44.3	6%	0.058	25%	0.246	C	C	.	.			trans	-53.8	141.2	-179.6	0	0	0	0	0	111.6	C151 I152 H153 R181 L182 D202	C151-A179 VanDerWaalsContact SG-CB 3.59Å; I152-A179 PolarHBondContact O-N 2.9Å; H153-A179 HydrophobicContact CB-CB 4.33Å; A179-R181 PolarHBondContact O-N 3.21Å; A179-L182 HydrophobicContact CB-CD2 4.05Å; A179-D202 WeakPolarHBondContact CA-OD2 3.5Å
180	S	98.7	Very high	98.5	Very high	86 Å²	86	45.6 Å²	45.6	60%	0.601	25%	0.251	S	S	*	.	S	Bend	trans	-65.7	-21.1	-179.1	68.8	0	0	0	0	113.2	D202	S180-D202 WeakPolarHBondContact CB-OD1 3.3Å; S180-D202 WeakPolarHBondContact CB-OD2 3.4Å; S180-D202 PolarHBondContact N-OD2 3.45Å; S180-D202 VanDerWaalsContact OG-CG 3.28Å; S180-D202 PolarHBondContact OG-OD1 3.36Å; S180-D202 PolarHBondContact OG-OD2 3.37Å; S180-D202 VanDerWaalsContact OG-OD2 3.09Å
181	R	98.8	Very high	98.5	Very high	149 Å²	149	46 Å²	46	56%	0.562	25%	0.253	S	S	*	.	S	Bend	trans	-131.6	126.3	175	-66.4	-174.7	178.4	-169.1	-3.9	110	A179 N198	A179-R181 PolarHBondContact O-N 3.21Å; R181-N198 HydrophobicContact CB-CB 4.29Å; R181-N198 WeakPolarHBondContact CB-ND2 3.23Å; R181-N198 PolarHBondContact O-ND2 2.9Å
182	L	98.8	Very high	98.5	Very high	51 Å²	51	43.4 Å²	43.4	27%	0.267	23%	0.23	S	C	.	.			trans	-111.1	136.6	179.3	-57.3	-177.1	0	0	0	110.3	V154 T156 L163 V178 A179	V154-L182 HydrophobicContact CB-CD1 4.46Å; V154-L182 WeakPolarHBondContact O-CD2 3.33Å; T156-L182 HydrophobicContact CG2-CB 3.49Å; T156-L182 VanDerWaalsContact CG2-CB 3.49Å; T156-L182 WeakPolarHBondContact CG2-O 3.35Å; L163-L182 HydrophobicContact CD1-CD1 4.26Å; V178-L182 HydrophobicContact CG1-CD1 4.33Å; V178-L182 HydrophobicContact CG1-CD2 3.98Å; A179-L182 HydrophobicContact CB-CD2 4.05Å
183	E	98.6	Very high	98.5	Very high	54 Å²	54	42.7 Å²	42.7	25%	0.252	23%	0.225	S	C	.	.			trans	-107.4	147.2	-179.5	-56.1	-60.1	152.6	0	0	111.2	H153 T156 V185 Q194 N198	H153-E183 PolarHBondContact CE1-N 3.12Å; H153-E183 VanDerWaalsContact CE1-N 3.29Å; H153-E183 PolarHBondContact NE2-N 3.4Å; T156-E183 PolarHBondContact N-O 3.4Å; E183-V185 HydrophobicContact CB-CG2 4.37Å; E183-V185 PolarHBondContact O-N 2.97Å; E183-Q194 VanDerWaalsContact CD-CG 3.49Å; E183-Q194 HydrophobicContact CG-CB 4Å; E183-Q194 HydrophobicContact CG-CG 3.71Å; E183-Q194 WeakPolarHBondContact OE1-CG 3.46Å; E183-N198 WeakPolarHBondContact CG-ND2 3.33Å; E183-N198 PolarHBondContact OE1-ND2 3.37Å
184	S	98.4	Very high	98.5	Very high	52 Å²	52	44.3 Å²	44.3	36%	0.364	23%	0.233	S	C	.	.			trans	-80.5	98.2	164.7	159.7	0	0	0	0	108.3	T156 K157 V186	T156-S184 WeakPolarHBondContact OG1-CA 3.15Å; T156-S184 VanDerWaalsContact OG1-CB 3.25Å; T156-S184 WeakPolarHBondContact OG1-CB 3.26Å; T156-S184 PolarHBondContact OG1-N 3.25Å; K157-S184 WeakPolarHBondContact CD-OG 3.43Å; S184-V186 PolarHBondContact O-N 3.37Å
185	V	98.2	Very high	98.6	Very high	23 Å²	23	38.2 Å²	38.2	14%	0.139	19%	0.191	C	C	.	.			trans	-78.3	112.6	-170.3	-175.7	0	0	0	0	110.9	D155 K157 E183 S191 R192 A195	D155-V185 PolarHBondContact OD1-N 2.91Å; D155-V185 WeakPolarHBondContact OD2-CA 3.39Å; D155-V185 VanDerWaalsContact OD2-CB 3.25Å; D155-V185 WeakPolarHBondContact OD2-CB 3.4Å; D155-V185 PolarHBondContact OD2-N 3.18Å; K157-V185 WeakPolarHBondContact CE-O 3.02Å; K157-V185 PolarHBondContact NZ-O 3.31Å; E183-V185 HydrophobicContact CB-CG2 4.37Å; E183-V185 PolarHBondContact O-N 2.97Å; V185-S191 WeakPolarHBondContact CA-OG 3.24Å; V185-R192 HydrophobicContact CG1-CB 3.94Å; V185-A195 HydrophobicContact CG2-CB 4.26Å
186	V	98.3	Very high	98.6	Very high	17 Å²	17	37.9 Å²	37.9	10%	0.103	19%	0.189	C	C	.	.			trans	-95.4	131.1	172.9	178.2	0	0	0	0	109.4	S184 A188 S189 S191 V261 G264	S184-V186 PolarHBondContact O-N 3.37Å; V186-A188 PolarHBondContact O-N 2.74Å; V186-S189 WeakPolarHBondContact CB-OG 3.4Å; V186-S189 WeakPolarHBondContact O-CB 3.42Å; V186-S189 PolarHBondContact O-N 2.89Å; V186-S189 PolarHBondContact O-OG 3.24Å; V186-S191 PolarHBondContact N-OG 2.83Å; V186-V261 HydrophobicContact CB-CG2 4.43Å; V186-V261 HydrophobicContact CG1-CG1 4.33Å; V186-V261 HydrophobicContact CG1-CG2 4.19Å; V186-V261 HydrophobicContact CG2-CG1 4.31Å; V186-V261 HydrophobicContact CG2-CG2 4.45Å; V186-G264 WeakPolarHBondContact CG1-O 3.21Å
187	Y	97.4	Very high	98.6	Very high	149 Å²	149	38.1 Å²	38.1	58%	0.584	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.8	135.1	-179.5	176.3	-103.9	0	0	0	111.8	S189	Y187-S189 PolarHBondContact O-N 3.06Å; Y187-S189 VanDerWaalsContact O-N 3.16Å
188	A	97.3	Very high	98.6	Very high	5 Å²	5	36.8 Å²	36.8	4%	0.041	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	62	6.6	-177.1	0	0	0	0	0	115.8	V186 L266 Y316 S317 P318	V186-A188 PolarHBondContact O-N 2.74Å; A188-L266 HydrophobicContact CB-CD2 4.33Å; A188-L266 WeakPolarHBondContact O-CD2 3.43Å; A188-Y316 HydrophobicContact CB-CD1 4.21Å; A188-Y316 HydrophobicContact CB-CD2 4.2Å; A188-Y316 HydrophobicContact CB-CE1 3.79Å; A188-Y316 HydrophobicContact CB-CE2 3.79Å; A188-Y316 HydrophobicContact CB-CG 4.4Å; A188-S317 WeakPolarHBondContact CB-OG 3.22Å; A188-S317 WeakPolarHBondContact O-CA 3.36Å; A188-S317 PolarHBondContact O-N 2.74Å; A188-P318 WeakPolarHBondContact O-CD 3.41Å
189	S	98.6	Very high	98.6	Very high	8 Å²	8	35.2 Å²	35.2	6%	0.056	18%	0.175	C	C	.	.	S	Bend	trans	-97.6	166.8	-179.7	76.3	0	0	0	0	113.2	V186 Y187 S191 R192	V186-S189 WeakPolarHBondContact CB-OG 3.4Å; V186-S189 WeakPolarHBondContact O-CB 3.42Å; V186-S189 PolarHBondContact O-N 2.89Å; V186-S189 PolarHBondContact O-OG 3.24Å; Y187-S189 PolarHBondContact O-N 3.06Å; Y187-S189 VanDerWaalsContact O-N 3.16Å; S189-S191 PolarHBondContact O-N 3.32Å; S189-S191 VanDerWaalsContact O-N 3.13Å; S189-S191 PolarHBondContact OG-OG 3.31Å; S189-R192 PolarHBondContact O-N 3.38Å; S189-R192 VanDerWaalsContact O-N 3.12Å
190	W	98.8	Very high	98.6	Very high	28 Å²	28	34.9 Å²	34.9	11%	0.106	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.4	-34	174	176.8	-103.9	0	0	0	114.8	R192 V193 Q194 L197 M309 A312 Q313 P318 L322	W190-R192 PolarHBondContact O-N 2.8Å; W190-V193 HydrophobicContact CD2-CB 4.31Å; W190-V193 HydrophobicContact CE3-CB 4.01Å; W190-V193 HydrophobicContact CE3-CG1 4.15Å; W190-V193 HydrophobicContact CE3-CG2 4.31Å; W190-V193 HydrophobicContact CH2-CB 4.32Å; W190-V193 HydrophobicContact CH2-CG1 3.6Å; W190-V193 HydrophobicContact CZ2-CG1 4.09Å; W190-V193 HydrophobicContact CZ3-CB 4.03Å; W190-V193 HydrophobicContact CZ3-CG1 3.65Å; W190-V193 HydrophobicContact CZ3-CG2 4.37Å; W190-V193 WeakPolarHBondContact O-CA 3.34Å; W190-V193 WeakPolarHBondContact O-CB 3.47Å; W190-V193 PolarHBondContact O-N 3.48Å; W190-Q194 PolarHBondContact O-N 3.12Å; W190-L197 HydrophobicContact CH2-CD1 3.9Å; W190-L197 HydrophobicContact CZ2-CD1 3.56Å; W190-M309 HydrophobicContact CH2-CB 3.6Å; W190-M309 HydrophobicContact CH2-CG 3.84Å; W190-M309 HydrophobicContact CH2-SD 4.16Å; W190-M309 HydrophobicContact CZ2-CB 4.26Å; W190-M309 HydrophobicContact CZ3-CB 4.4Å; W190-A312 HydrophobicContact CE3-CB 4.36Å; W190-A312 HydrophobicContact CZ3-CB 4.03Å; W190-Q313 HydrophobicContact CB-CB 4.41Å; W190-Q313 VanDerWaalsContact CB-O 3.29Å; W190-Q313 WeakPolarHBondContact CB-O 3.25Å; W190-Q313 HydrophobicContact CD2-CB 4.32Å; W190-Q313 HydrophobicContact CD2-CG 3.77Å; W190-Q313 HydrophobicContact CE3-CG 4.28Å; W190-Q313 HydrophobicContact CG-CB 4.13Å; W190-Q313 HydrophobicContact CG-CG 3.91Å; W190-Q313 HydrophobicContact CZ2-CG 4.42Å; W190-P318 HydrophobicContact CB-CG 4.47Å; W190-P318 HydrophobicContact CE3-CB 4.23Å; W190-P318 HydrophobicContact CE3-CG 4.15Å; W190-L322 HydrophobicContact CH2-CD2 4.09Å; W190-L322 HydrophobicContact CZ3-CD1 4.43Å; W190-L322 HydrophobicContact CZ3-CD2 3.88Å
191	S	98.6	Very high	98.6	Very high	16 Å²	16	36 Å²	36	11%	0.112	17%	0.166	C	C	.	.	H	α-helix	trans	-52.5	-28.7	178.4	61.6	0	0	0	0	113.8	V185 V186 S189 Q194 A195	V185-S191 WeakPolarHBondContact CA-OG 3.24Å; V186-S191 PolarHBondContact N-OG 2.83Å; S189-S191 PolarHBondContact O-N 3.32Å; S189-S191 VanDerWaalsContact O-N 3.13Å; S189-S191 PolarHBondContact OG-OG 3.31Å; S191-Q194 PolarHBondContact O-N 3.11Å; S191-A195 PolarHBondContact O-N 3.21Å
192	R	98.8	Very high	98.6	Very high	30 Å²	30	30.1 Å²	30.1	11%	0.113	15%	0.146	C	C	.	.	H	α-helix	trans	-67	-41.9	173.9	176.2	59.8	-168.2	86.2	1.6	111.7	V185 S189 W190 D196 D319	V185-R192 HydrophobicContact CG1-CB 3.94Å; S189-R192 PolarHBondContact O-N 3.38Å; S189-R192 VanDerWaalsContact O-N 3.12Å; W190-R192 PolarHBondContact O-N 2.8Å; R192-D196 IonicContact CZ-OD2 2.99Å; R192-D196 IonicContact NH1-OD1 3.58Å; R192-D196 IonicContact NH1-OD2 3.46Å; R192-D196 PolarHBondContact NH1-OD2 3.24Å; R192-D196 IonicContact NH2-OD2 3.69Å; R192-D196 PolarHBondContact NH2-OD2 3.33Å; R192-D319 HydrophobicContact CG-CB 4.3Å
193	V	98.9	Very high	98.6	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-67	-45.7	173.6	175.5	0	0	0	0	110	W190 A195 D196 L197 P318 D319 L322 W323	W190-V193 HydrophobicContact CD2-CB 4.31Å; W190-V193 HydrophobicContact CE3-CB 4.01Å; W190-V193 HydrophobicContact CE3-CG1 4.15Å; W190-V193 HydrophobicContact CE3-CG2 4.31Å; W190-V193 HydrophobicContact CH2-CB 4.32Å; W190-V193 HydrophobicContact CH2-CG1 3.6Å; W190-V193 HydrophobicContact CZ2-CG1 4.09Å; W190-V193 HydrophobicContact CZ3-CB 4.03Å; W190-V193 HydrophobicContact CZ3-CG1 3.65Å; W190-V193 HydrophobicContact CZ3-CG2 4.37Å; W190-V193 WeakPolarHBondContact O-CA 3.34Å; W190-V193 WeakPolarHBondContact O-CB 3.47Å; W190-V193 PolarHBondContact O-N 3.48Å; V193-A195 VanDerWaalsContact C-N 3.25Å; V193-A195 PolarHBondContact O-N 3.22Å; V193-D196 PolarHBondContact O-N 3.05Å; V193-L197 HydrophobicContact CG1-CD1 3.88Å; V193-L197 HydrophobicContact CG1-CG 4.18Å; V193-L197 PolarHBondContact O-N 3.47Å; V193-P318 HydrophobicContact CG2-CB 4.23Å; V193-P318 HydrophobicContact CG2-CG 4.09Å; V193-D319 HydrophobicContact CG2-CB 3.82Å; V193-L322 HydrophobicContact CG1-CD2 3.43Å; V193-L322 VanDerWaalsContact CG1-CD2 3.43Å; V193-L322 HydrophobicContact CG2-CD2 4.3Å; V193-W323 HydrophobicContact CG1-CH2 4.05Å; V193-W323 HydrophobicContact CG1-CZ2 3.71Å
194	Q	98.9	Very high	98.6	Very high	46 Å²	46	27.9 Å²	27.9	22%	0.215	13%	0.132	C	C	.	.	H	α-helix	trans	-57.8	-37.7	-178.8	-169.7	63	59.2	0	0	112.4	E183 W190 S191 D196 L197 N198	E183-Q194 VanDerWaalsContact CD-CG 3.49Å; E183-Q194 HydrophobicContact CG-CB 4Å; E183-Q194 HydrophobicContact CG-CG 3.71Å; E183-Q194 WeakPolarHBondContact OE1-CG 3.46Å; W190-Q194 PolarHBondContact O-N 3.12Å; S191-Q194 PolarHBondContact O-N 3.11Å; Q194-D196 VanDerWaalsContact C-N 3.33Å; Q194-D196 PolarHBondContact O-N 2.93Å; Q194-L197 PolarHBondContact O-N 2.88Å; Q194-N198 PolarHBondContact NE2-OD1 3.32Å; Q194-N198 WeakPolarHBondContact O-CB 3.18Å; Q194-N198 PolarHBondContact O-N 2.84Å; Q194-N198 PolarHBondContact O-OD1 2.66Å
195	A	98.9	Very high	98.6	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-56.9	-43.6	174.5	0	0	0	0	0	112.8	V128 H153 V185 S191 V193 C199	V128-A195 HydrophobicContact CG1-CB 4.05Å; V128-A195 HydrophobicContact CG2-CB 4.06Å; H153-A195 HydrophobicContact CB-CB 4.48Å; V185-A195 HydrophobicContact CG2-CB 4.26Å; S191-A195 PolarHBondContact O-N 3.21Å; V193-A195 VanDerWaalsContact C-N 3.25Å; V193-A195 PolarHBondContact O-N 3.22Å; A195-C199 PolarHBondContact O-N 3.07Å
196	D	98.9	Very high	98.5	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-71.3	-39	175.2	-85.2	-40.5	0	0	0	111.9	S126 R192 V193 Q194 N198 C199 M200 N215 W323	S126-D196 WeakPolarHBondContact CB-OD1 3.43Å; S126-D196 PolarHBondContact OG-OD1 2.74Å; R192-D196 IonicContact CZ-OD2 2.99Å; R192-D196 IonicContact NH1-OD1 3.58Å; R192-D196 IonicContact NH1-OD2 3.46Å; R192-D196 PolarHBondContact NH1-OD2 3.24Å; R192-D196 IonicContact NH2-OD2 3.69Å; R192-D196 PolarHBondContact NH2-OD2 3.33Å; V193-D196 PolarHBondContact O-N 3.05Å; Q194-D196 VanDerWaalsContact C-N 3.33Å; Q194-D196 PolarHBondContact O-N 2.93Å; D196-N198 VanDerWaalsContact C-N 3.29Å; D196-N198 PolarHBondContact O-N 3.01Å; D196-C199 PolarHBondContact O-N 3.04Å; D196-M200 WeakPolarHBondContact O-CB 3.26Å; D196-M200 WeakPolarHBondContact O-CG 3.44Å; D196-M200 PolarHBondContact O-N 2.73Å; D196-N215 WeakPolarHBondContact OD1-CB 3.42Å; D196-N215 PolarHBondContact OD2-ND2 2.69Å; D196-W323 HydrophobicContact CB-CZ2 4.38Å
197	L	98.9	Very high	98.4	Very high	12 Å²	12	32.4 Å²	32.4	6%	0.063	16%	0.162	C	C	.	.	H	α-helix	trans	-61.9	-37	176.3	-72.3	172.8	0	0	0	112.3	W190 V193 Q194 M200 K201 V299 M309 W323	W190-L197 HydrophobicContact CH2-CD1 3.9Å; W190-L197 HydrophobicContact CZ2-CD1 3.56Å; V193-L197 HydrophobicContact CG1-CD1 3.88Å; V193-L197 HydrophobicContact CG1-CG 4.18Å; V193-L197 PolarHBondContact O-N 3.47Å; Q194-L197 PolarHBondContact O-N 2.88Å; L197-M200 HydrophobicContact CD2-SD 4Å; L197-M200 WeakPolarHBondContact O-CB 3.42Å; L197-M200 PolarHBondContact O-N 3.14Å; L197-K201 WeakPolarHBondContact O-CB 3.39Å; L197-K201 PolarHBondContact O-N 2.89Å; L197-V299 HydrophobicContact CD2-CG1 4.16Å; L197-M309 HydrophobicContact CD1-SD 3.83Å; L197-M309 HydrophobicContact CD2-SD 3.95Å; L197-W323 HydrophobicContact CD2-CH2 3.85Å; L197-W323 HydrophobicContact CD2-CZ3 4.45Å; L197-W323 HydrophobicContact CG-CH2 4.17Å
198	N	98.9	Very high	98.4	Very high	7 Å²	7	28.6 Å²	28.6	4%	0.037	16%	0.162	C	C	.	.	H	α-helix	trans	-62.7	-46.6	175.1	-69.7	-11.9	0	0	0	110.4	R181 E183 Q194 D196 K201 D202	R181-N198 HydrophobicContact CB-CB 4.29Å; R181-N198 WeakPolarHBondContact CB-ND2 3.23Å; R181-N198 PolarHBondContact O-ND2 2.9Å; E183-N198 WeakPolarHBondContact CG-ND2 3.33Å; E183-N198 PolarHBondContact OE1-ND2 3.37Å; Q194-N198 PolarHBondContact NE2-OD1 3.32Å; Q194-N198 WeakPolarHBondContact O-CB 3.18Å; Q194-N198 PolarHBondContact O-N 2.84Å; Q194-N198 PolarHBondContact O-OD1 2.66Å; D196-N198 VanDerWaalsContact C-N 3.29Å; D196-N198 PolarHBondContact O-N 3.01Å; N198-K201 PolarHBondContact O-N 2.86Å; N198-D202 PolarHBondContact O-N 3.18Å
199	C	98.9	Very high	98.3	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-67	-38.8	174.8	-86.9	0	0	0	0	113.5	S126 C151 A195 D196 K201 D202 L203	S126-C199 VanDerWaalsContact OG-CB 3.24Å; S126-C199 WeakPolarHBondContact OG-CB 3.49Å; C151-C199 HydrophobicContact CB-CB 3.61Å; C151-C199 WeakPolarHBondContact CB-SG 3.45Å; C151-C199 WeakPolarHBondContact SG-CA 3.36Å; C151-C199 WeakPolarHBondContact SG-CB 3.2Å; C151-C199 CovalentContact SG-SG 2.04Å; C151-C199 PolarHBondContact SG-SG 3.21Å; A195-C199 PolarHBondContact O-N 3.07Å; D196-C199 PolarHBondContact O-N 3.04Å; C199-K201 VanDerWaalsContact C-N 3.28Å; C199-K201 PolarHBondContact O-N 3.17Å; C199-D202 PolarHBondContact O-N 3.04Å; C199-L203 HydrophobicContact CB-CD1 4.46Å; C199-L203 WeakPolarHBondContact O-CB 3.24Å; C199-L203 WeakPolarHBondContact O-CD1 3.23Å; C199-L203 VanDerWaalsContact O-CG 3.23Å; C199-L203 WeakPolarHBondContact O-CG 3.37Å; C199-L203 PolarHBondContact O-N 2.79Å
200	M	98.9	Very high	98.3	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-54.1	-47.4	173.3	-80.9	-175.3	-171.3	0	0	111	D196 L197 Y204 L213 F289 V296 L300 W323	D196-M200 WeakPolarHBondContact O-CB 3.26Å; D196-M200 WeakPolarHBondContact O-CG 3.44Å; D196-M200 PolarHBondContact O-N 2.73Å; L197-M200 HydrophobicContact CD2-SD 4Å; L197-M200 WeakPolarHBondContact O-CB 3.42Å; L197-M200 PolarHBondContact O-N 3.14Å; M200-Y204 WeakPolarHBondContact O-CB 3.41Å; M200-Y204 PolarHBondContact O-N 3.19Å; M200-L213 HydrophobicContact CB-CD2 4.5Å; M200-L213 HydrophobicContact CE-CD2 3.98Å; M200-L213 HydrophobicContact CG-CD2 3.42Å; M200-L213 VanDerWaalsContact CG-CD2 3.42Å; M200-L213 HydrophobicContact SD-CD2 4.4Å; M200-F289 HydrophobicContact CE-CE1 3.96Å; M200-F289 HydrophobicContact CE-CE2 3.68Å; M200-F289 HydrophobicContact CE-CZ 3.2Å; M200-V296 HydrophobicContact CB-CG1 3.84Å; M200-V296 HydrophobicContact CG-CG1 4.04Å; M200-V296 HydrophobicContact CG-CG2 4.43Å; M200-V296 HydrophobicContact SD-CG1 4.36Å; M200-V296 HydrophobicContact SD-CG2 4.48Å; M200-L300 HydrophobicContact CB-CD1 4.47Å; M200-L300 HydrophobicContact CB-CD2 4.37Å; M200-W323 HydrophobicContact CE-CH2 3.61Å; M200-W323 HydrophobicContact CE-CZ2 4.21Å; M200-W323 HydrophobicContact CE-CZ3 3.81Å; M200-W323 HydrophobicContact SD-CH2 4.22Å; M200-W323 HydrophobicContact SD-CZ3 4.46Å
201	K	98.9	Very high	98.3	Very high	108 Å²	108	36.2 Å²	36.2	47%	0.47	20%	0.199	S	C	.	.	H	α-helix	trans	-60.3	-48.8	-179.8	-176.8	178.9	179	177	0	111.8	L197 N198 C199 A205 L300	L197-K201 WeakPolarHBondContact O-CB 3.39Å; L197-K201 PolarHBondContact O-N 2.89Å; N198-K201 PolarHBondContact O-N 2.86Å; C199-K201 VanDerWaalsContact C-N 3.28Å; C199-K201 PolarHBondContact O-N 3.17Å; K201-A205 WeakPolarHBondContact O-CB 3.24Å; K201-A205 PolarHBondContact O-N 3.45Å; K201-A205 VanDerWaalsContact O-N 3.08Å; K201-L300 HydrophobicContact CB-CD2 4.38Å
202	D	98.9	Very high	98.4	Very high	26 Å²	26	35.9 Å²	35.9	14%	0.139	20%	0.195	C	C	.	.	H	α-helix	trans	-66.9	-45	-178.3	-65.7	-21.1	0	0	0	111.7	F177 A179 S180 N198 C199 Y204 A205 M206	F177-D202 HydrophobicContact CE2-CB 3.53Å; F177-D202 HydrophobicContact CZ-CB 3.96Å; A179-D202 WeakPolarHBondContact CA-OD2 3.5Å; S180-D202 WeakPolarHBondContact CB-OD1 3.3Å; S180-D202 WeakPolarHBondContact CB-OD2 3.4Å; S180-D202 PolarHBondContact N-OD2 3.45Å; S180-D202 VanDerWaalsContact OG-CG 3.28Å; S180-D202 PolarHBondContact OG-OD1 3.36Å; S180-D202 PolarHBondContact OG-OD2 3.37Å; S180-D202 VanDerWaalsContact OG-OD2 3.09Å; N198-D202 PolarHBondContact O-N 3.18Å; C199-D202 PolarHBondContact O-N 3.04Å; D202-Y204 PolarHBondContact O-N 3.13Å; D202-A205 PolarHBondContact O-N 2.94Å; D202-M206 WeakPolarHBondContact O-CB 3.13Å; D202-M206 PolarHBondContact O-N 3.28Å
203	L	98.9	Very high	98.4	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-63.4	-40.8	178.4	-70	164	0	0	0	111.9	A124 Y125 F149 C151 F177 C199 M206 S207 W210 L213	A124-L203 HydrophobicContact CB-CD1 4.22Å; A124-L203 HydrophobicContact CB-CD2 4.21Å; Y125-L203 WeakPolarHBondContact O-CD1 3.49Å; F149-L203 HydrophobicContact CB-CD2 3.67Å; C151-L203 HydrophobicContact CB-CD1 3.8Å; C151-L203 HydrophobicContact CB-CD2 4.03Å; C151-L203 HydrophobicContact CB-CG 3.79Å; F177-L203 HydrophobicContact CE1-CD2 3.85Å; F177-L203 HydrophobicContact CZ-CD2 3.74Å; F177-L203 HydrophobicContact CZ-CG 4.06Å; C199-L203 HydrophobicContact CB-CD1 4.46Å; C199-L203 WeakPolarHBondContact O-CB 3.24Å; C199-L203 WeakPolarHBondContact O-CD1 3.23Å; C199-L203 VanDerWaalsContact O-CG 3.23Å; C199-L203 WeakPolarHBondContact O-CG 3.37Å; C199-L203 PolarHBondContact O-N 2.79Å; L203-M206 PolarHBondContact O-N 2.91Å; L203-S207 PolarHBondContact O-N 2.92Å; L203-W210 HydrophobicContact CB-CZ2 4.32Å; L203-W210 PolarHBondContact O-NE1 2.86Å; L203-L213 HydrophobicContact CD1-CD1 3.61Å
204	Y	98.8	Very high	98.4	Very high	58 Å²	58	34.6 Å²	34.6	23%	0.227	19%	0.19	C	C	.	.	H	α-helix	trans	-65.7	-39.6	178.3	-171.8	-101.5	0	0	0	112.4	M200 D202 W210 R293 V296 G297 L300	M200-Y204 WeakPolarHBondContact O-CB 3.41Å; M200-Y204 PolarHBondContact O-N 3.19Å; D202-Y204 PolarHBondContact O-N 3.13Å; Y204-W210 HydrophobicContact CD2-CZ2 4.22Å; Y204-R293 HydrophobicContact CD2-CG 4.11Å; Y204-R293 HydrophobicContact CE2-CG 4.1Å; Y204-R293 VanDerWaalsContact CE2-CZ 3.46Å; Y204-R293 PolarHBondContact O-NH2 3.34Å; Y204-V296 HydrophobicContact CD2-CB 4.49Å; Y204-V296 HydrophobicContact CD2-CG1 4.16Å; Y204-V296 HydrophobicContact CG-CG1 4.41Å; Y204-G297 VanDerWaalsContact CE2-CA 3.4Å; Y204-G297 VanDerWaalsContact CZ-CA 3.48Å; Y204-L300 HydrophobicContact CD1-CD1 4.21Å; Y204-L300 HydrophobicContact CG-CD1 4.09Å
205	A	98.4	Very high	98.4	Very high	86 Å²	86	32.4 Å²	32.4	71%	0.711	18%	0.18	S	C	*	.	H	α-helix	trans	-73.2	-34.5	176.2	0	0	0	0	0	112.9	K201 D202	K201-A205 WeakPolarHBondContact O-CB 3.24Å; K201-A205 PolarHBondContact O-N 3.45Å; K201-A205 VanDerWaalsContact O-N 3.08Å; D202-A205 PolarHBondContact O-N 2.94Å
206	M	96.3	Very high	98.4	Very high	86 Å²	86	32.4 Å²	32.4	42%	0.424	18%	0.18	S	C	.	.	H	α-helix	trans	-67.2	-39.3	-175.5	177.2	172.6	-68.6	0	0	113.3	F149 F177 D202 L203	F149-M206 HydrophobicContact CD1-CG 4.29Å; F149-M206 HydrophobicContact CD1-SD 3.85Å; F149-M206 HydrophobicContact CE1-CG 4.48Å; F149-M206 HydrophobicContact CE1-SD 4.47Å; F177-M206 HydrophobicContact CD1-CE 3.3Å; F177-M206 HydrophobicContact CD1-SD 3.87Å; F177-M206 HydrophobicContact CD2-CE 4.26Å; F177-M206 HydrophobicContact CE1-CE 3.17Å; F177-M206 HydrophobicContact CE1-SD 3.4Å; F177-M206 WeakPolarHBondContact CE1-SD 3.04Å; F177-M206 HydrophobicContact CE2-CE 4.16Å; F177-M206 HydrophobicContact CG-CE 3.86Å; F177-M206 HydrophobicContact CZ-CE 3.62Å; F177-M206 HydrophobicContact CZ-SD 4.14Å; D202-M206 WeakPolarHBondContact O-CB 3.13Å; D202-M206 PolarHBondContact O-N 3.28Å; L203-M206 PolarHBondContact O-N 2.91Å
207	S	96.3	Very high	98.3	Very high	16 Å²	16	33.2 Å²	33.2	11%	0.112	19%	0.186	C	C	.	.			trans	-151.7	140.6	-174.7	173.9	0	0	0	0	112.6	F149 L203 N209 W210 R293	F149-S207 VanDerWaalsContact CZ-CB 3.47Å; F149-S207 VanDerWaalsContact CZ-OG 3.25Å; F149-S207 WeakPolarHBondContact CZ-OG 3.43Å; L203-S207 PolarHBondContact O-N 2.92Å; S207-N209 PolarHBondContact OG-N 3.28Å; S207-W210 PolarHBondContact O-NE1 2.86Å; S207-W210 VanDerWaalsContact O-NE1 3.08Å; S207-R293 PolarHBondContact O-NE 3.1Å; S207-R293 PolarHBondContact O-NH2 3.27Å
208	A	95.9	Very high	98.2	Very high	69 Å²	69	33.5 Å²	33.5	57%	0.57	19%	0.192	S	C	*	.	S	Bend	trans	-87.4	-7.2	174.3	0	0	0	0	0	113.8
209	N	96.6	Very high	98.2	Very high	108 Å²	108	35.1 Å²	35.1	58%	0.578	20%	0.199	S	C	*	.			trans	-100.5	-22.3	-160.2	-65.1	-21.3	0	0	0	114.7	S207 K211	S207-N209 PolarHBondContact OG-N 3.28Å; N209-K211 WeakPolarHBondContact O-CE 3.37Å; N209-K211 PolarHBondContact O-NZ 3.01Å
210	W	98.8	Very high	98.2	Very high	3 Å²	3	35.1 Å²	35.1	1%	0.011	20%	0.199	C	C	.	.			trans	-68.4	150.3	178.6	57.7	-100	0	0	0	112	P122 A124 F149 L203 Y204 S207 L213 R293 V296	P122-W210 HydrophobicContact CB-CB 4.13Å; P122-W210 CarbonylContact O-C 3.58Å; P122-W210 WeakPolarHBondContact O-CA 3.39Å; A124-W210 HydrophobicContact CB-CB 4.28Å; A124-W210 HydrophobicContact CB-CD2 3.66Å; A124-W210 HydrophobicContact CB-CE3 3.81Å; A124-W210 HydrophobicContact CB-CG 3.88Å; A124-W210 HydrophobicContact CB-CZ3 4.34Å; F149-W210 HydrophobicContact CD2-CB 3.85Å; F149-W210 AromaticContact CD2-CD1 3.83Å; F149-W210 HydrophobicContact CD2-CG 4.16Å; F149-W210 HydrophobicContact CE2-CB 4.02Å; F149-W210 HydrophobicContact CE2-CG 4.48Å; L203-W210 HydrophobicContact CB-CZ2 4.32Å; L203-W210 PolarHBondContact O-NE1 2.86Å; Y204-W210 HydrophobicContact CD2-CZ2 4.22Å; S207-W210 PolarHBondContact O-NE1 2.86Å; S207-W210 VanDerWaalsContact O-NE1 3.08Å; W210-L213 HydrophobicContact CH2-CB 4.4Å; W210-L213 HydrophobicContact CZ3-CB 4.01Å; W210-R293 HydrophobicContact CD2-CB 4.24Å; W210-R293 HydrophobicContact CD2-CG 4.06Å; W210-R293 HydrophobicContact CE3-CB 3.6Å; W210-R293 HydrophobicContact CE3-CG 3.89Å; W210-R293 HydrophobicContact CH2-CB 3.78Å; W210-R293 HydrophobicContact CH2-CG 3.54Å; W210-R293 HydrophobicContact CZ2-CB 4.39Å; W210-R293 HydrophobicContact CZ2-CG 3.72Å; W210-R293 HydrophobicContact CZ3-CB 3.35Å; W210-R293 HydrophobicContact CZ3-CG 3.63Å; W210-R293 WeakPolarHBondContact O-CB 3.34Å; W210-R293 WeakPolarHBondContact O-CD 3.48Å; W210-V296 HydrophobicContact CH2-CB 3.97Å; W210-V296 HydrophobicContact CH2-CG1 4.2Å; W210-V296 HydrophobicContact CH2-CG2 3.93Å; W210-V296 HydrophobicContact CZ3-CG2 4.43Å
211	K	98.8	Very high	98.2	Very high	90 Å²	90	35.1 Å²	35.1	39%	0.391	20%	0.199	S	C	.	.			trans	-101	-43	-168	-55.2	-53.5	-178.9	-167.5	0	112.9	F121 P122 N209 S292 R293	F121-K211 HydrophobicContact CD1-CB 4.26Å; F121-K211 HydrophobicContact CD1-CG 4.19Å; F121-K211 HydrophobicContact CD2-CG 3.93Å; F121-K211 HydrophobicContact CE1-CB 3.78Å; F121-K211 HydrophobicContact CE1-CG 4.14Å; F121-K211 HydrophobicContact CE2-CB 4.11Å; F121-K211 HydrophobicContact CE2-CG 3.89Å; F121-K211 HydrophobicContact CG-CG 4.1Å; F121-K211 HydrophobicContact CZ-CB 3.71Å; F121-K211 HydrophobicContact CZ-CG 4.01Å; P122-K211 PolarHBondContact O-N 3.08Å; N209-K211 WeakPolarHBondContact O-CE 3.37Å; N209-K211 PolarHBondContact O-NZ 3.01Å; K211-S292 WeakPolarHBondContact O-CA 3.41Å; K211-R293 PolarHBondContact O-N 3.31Å
212	Y	98.9	Very high	98.2	Very high	9 Å²	9	30 Å²	30	4%	0.035	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	146.5	-177.8	-80	-92.5	0	0	0	110.8	F121 A124 L233 L236 G238 E239 V290 V291	F121-Y212 HydrophobicContact CE1-CD2 4.08Å; F121-Y212 AromaticContact CZ-CD2 3.93Å; F121-Y212 HydrophobicContact CZ-CD2 3.93Å; F121-Y212 HydrophobicContact CZ-CE2 4.09Å; A124-Y212 PolarHBondContact N-O 3.03Å; Y212-L233 HydrophobicContact CD1-CD2 4.17Å; Y212-L233 HydrophobicContact CD2-CB 3.97Å; Y212-L233 HydrophobicContact CD2-CD1 4.34Å; Y212-L233 HydrophobicContact CD2-CD2 4.35Å; Y212-L233 HydrophobicContact CD2-CG 4.45Å; Y212-L233 HydrophobicContact CE2-CB 4.23Å; Y212-L233 HydrophobicContact CG-CB 4.46Å; Y212-L233 HydrophobicContact CG-CD1 4.27Å; Y212-L233 HydrophobicContact CG-CD2 4.01Å; Y212-L233 HydrophobicContact CG-CG 4.48Å; Y212-L236 HydrophobicContact CE1-CD1 3.92Å; Y212-L236 WeakPolarHBondContact OH-CB 3.39Å; Y212-G238 VanDerWaalsContact OH-CA 3.27Å; Y212-G238 WeakPolarHBondContact OH-CA 3.38Å; Y212-G238 PolarHBondContact OH-N 3.26Å; Y212-E239 VanDerWaalsContact CE1-O 3.24Å; Y212-E239 WeakPolarHBondContact CE1-O 3.25Å; Y212-E239 PolarHBondContact OH-O 3.15Å; Y212-V290 HydrophobicContact CD1-CG1 3.79Å; Y212-V290 HydrophobicContact CE1-CG1 4.38Å; Y212-V290 HydrophobicContact CG-CG1 4.5Å; Y212-V291 CarbonylContact C-O 3.54Å; Y212-V291 VanDerWaalsContact CA-O 3.23Å; Y212-V291 WeakPolarHBondContact CA-O 3.48Å; Y212-V291 VanDerWaalsContact CD1-C 3.42Å; Y212-V291 WeakPolarHBondContact CD1-O 3.35Å
213	L	98.9	Very high	98.2	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	132.7	166.7	174.9	64.8	0	0	0	109.6	A124 M200 L203 W210 F289 V291 V296	A124-L213 HydrophobicContact CB-CD1 4.04Å; A124-L213 CarbonylContact O-C 3.48Å; A124-L213 VanDerWaalsContact O-CA 3.32Å; A124-L213 WeakPolarHBondContact O-CA 3.45Å; M200-L213 HydrophobicContact CB-CD2 4.5Å; M200-L213 HydrophobicContact CE-CD2 3.98Å; M200-L213 HydrophobicContact CG-CD2 3.42Å; M200-L213 VanDerWaalsContact CG-CD2 3.42Å; M200-L213 HydrophobicContact SD-CD2 4.4Å; L203-L213 HydrophobicContact CD1-CD1 3.61Å; W210-L213 HydrophobicContact CH2-CB 4.4Å; W210-L213 HydrophobicContact CZ3-CB 4.01Å; L213-F289 HydrophobicContact CD2-CE2 3.99Å; L213-F289 HydrophobicContact CG-CE2 4.14Å; L213-V291 HydrophobicContact CB-CG2 4.01Å; L213-V291 HydrophobicContact CD2-CG2 4.44Å; L213-V291 PolarHBondContact N-O 3.01Å; L213-V291 PolarHBondContact O-N 2.9Å; L213-V296 HydrophobicContact CB-CG2 4.11Å; L213-V296 HydrophobicContact CD2-CG2 3.76Å
214	I	98.9	Very high	98.2	Very high	2 Å²	2	29.7 Å²	29.7	1%	0.01	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	122	171.5	-53.5	178.6	0	0	0	108	I123 A124 Y125 S126 L216 I229 L233 V290 L397 F398	I123-I214 HydrophobicContact CG2-CD1 4.04Å; I123-I214 HydrophobicContact CG2-CG1 4.23Å; A124-I214 PolarHBondContact O-N 2.92Å; Y125-I214 VanDerWaalsContact CA-O 3.3Å; Y125-I214 WeakPolarHBondContact CA-O 3.42Å; Y125-I214 HydrophobicContact CD1-CB 3.87Å; Y125-I214 HydrophobicContact CD1-CG2 4.37Å; Y125-I214 HydrophobicContact CE1-CB 3.82Å; Y125-I214 HydrophobicContact CE1-CD1 3.93Å; Y125-I214 HydrophobicContact CE1-CG1 4.32Å; Y125-I214 HydrophobicContact CE1-CG2 4.22Å; S126-I214 PolarHBondContact N-O 3.19Å; S126-I214 VanDerWaalsContact N-O 3.11Å; I214-L216 HydrophobicContact CG2-CD2 4.13Å; I214-I229 HydrophobicContact CD1-CG2 4.01Å; I214-L233 HydrophobicContact CD1-CD1 4.43Å; I214-V290 HydrophobicContact CG1-CG1 4.36Å; I214-V290 HydrophobicContact CG1-CG2 4.24Å; I214-L397 HydrophobicContact CD1-CD1 3.86Å; I214-F398 HydrophobicContact CD1-CE2 4.26Å; I214-F398 HydrophobicContact CG2-CD2 4.22Å; I214-F398 HydrophobicContact CG2-CE2 3.96Å
215	N	98.9	Very high	98.2	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	147.6	173.9	75.1	-31.2	0	0	0	112	S126 D196 A287 Y288 F289 R352	S126-N215 CarbonylContact O-C 3.6Å; S126-N215 VanDerWaalsContact O-CA 3.26Å; S126-N215 WeakPolarHBondContact O-CA 3.11Å; D196-N215 WeakPolarHBondContact OD1-CB 3.42Å; D196-N215 PolarHBondContact OD2-ND2 2.69Å; N215-A287 PolarHBondContact ND2-O 3.36Å; N215-Y288 VanDerWaalsContact OD1-CA 3.27Å; N215-Y288 WeakPolarHBondContact OD1-CA 3.47Å; N215-F289 HydrophobicContact CB-CE1 4.16Å; N215-F289 HydrophobicContact CB-CE2 3.98Å; N215-F289 HydrophobicContact CB-CZ 3.68Å; N215-F289 VanDerWaalsContact CG-CE1 3.49Å; N215-F289 VanDerWaalsContact ND2-CE1 3.33Å; N215-F289 WeakPolarHBondContact ND2-CE1 3.47Å; N215-F289 PolarHBondContact OD1-N 3.17Å; N215-R352 PolarHBondContact O-NH2 3.03Å
216	L	98.9	Very high	98.2	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	157.9	-173.9	-57.3	177	0	0	0	109.8	Y125 S126 I127 V128 L139 I143 I214 D220 F398	Y125-L216 HydrophobicContact CD1-CD1 3.73Å; Y125-L216 HydrophobicContact CD1-CG 4.23Å; Y125-L216 HydrophobicContact CE1-CD1 4.25Å; S126-L216 PolarHBondContact O-N 2.85Å; I127-L216 HydrophobicContact CG1-CD1 4.42Å; I127-L216 HydrophobicContact CG2-CB 4.32Å; V128-L216 PolarHBondContact N-O 3.46Å; L139-L216 HydrophobicContact CD1-CD1 4.33Å; L139-L216 HydrophobicContact CD2-CD1 4.5Å; I143-L216 HydrophobicContact CD1-CD1 3.59Å; I214-L216 HydrophobicContact CG2-CD2 4.13Å; L216-D220 WeakPolarHBondContact CA-OD2 3.24Å; L216-D220 HydrophobicContact CD2-CB 4.31Å; L216-F398 HydrophobicContact CD1-CE1 3.9Å; L216-F398 HydrophobicContact CD1-CZ 4.12Å; L216-F398 HydrophobicContact CD2-CD1 3.59Å; L216-F398 HydrophobicContact CD2-CD2 3.97Å; L216-F398 HydrophobicContact CD2-CE1 3.64Å; L216-F398 HydrophobicContact CD2-CE2 4.04Å; L216-F398 HydrophobicContact CD2-CG 3.8Å; L216-F398 HydrophobicContact CD2-CZ 3.9Å; L216-F398 HydrophobicContact CG-CE1 4.47Å
217	C	98	Very high	98.3	Very high	18 Å²	18	20.4 Å²	20.4	12%	0.122	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	167.4	164.6	75.7	0	0	0	0	110.9	V128 M219 D220 Y288 N400	V128-C217 WeakPolarHBondContact O-CA 3.49Å; C217-M219 PolarHBondContact O-N 2.9Å; C217-D220 PolarHBondContact N-OD2 3.11Å; C217-D220 WeakPolarHBondContact O-CB 3.43Å; C217-D220 PolarHBondContact O-N 3.19Å; C217-D220 PolarHBondContact SG-OD2 3.24Å; C217-Y288 HydrophobicContact CB-CE1 4.34Å; C217-Y288 PolarHBondContact SG-OH 3.5Å; C217-Y288 VanDerWaalsContact SG-OH 3.36Å; C217-N400 PolarHBondContact SG-ND2 3.11Å
218	G	96.8	Very high	98.4	Very high	18 Å²	18	22.1 Å²	22.1	19%	0.186	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-3.7	-177.4	0	0	0	0	0	116.9	V128	V128-G218 PolarHBondContact O-N 3.36Å
219	M	98.2	Very high	98.6	Very high	41 Å²	41	18.9 Å²	18.9	20%	0.202	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.9	7.8	175.7	-65.8	-171.4	-66.3	0	0	113	C217 K401 F402	C217-M219 PolarHBondContact O-N 2.9Å; M219-K401 HydrophobicContact CB-CB 4.29Å; M219-K401 HydrophobicContact CB-CG 4.35Å; M219-K401 HydrophobicContact CE-CD 3.69Å; M219-K401 HydrophobicContact CE-CG 4.21Å; M219-K401 HydrophobicContact SD-CD 4.38Å; M219-F402 PolarHBondContact O-N 3.34Å
220	D	98.8	Very high	98.7	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	153.8	171.1	-70.5	-44.5	0	0	0	111.3	L139 L216 C217 R352 N400	L139-D220 WeakPolarHBondContact CD1-O 3.16Å; L216-D220 WeakPolarHBondContact CA-OD2 3.24Å; L216-D220 HydrophobicContact CD2-CB 4.31Å; C217-D220 PolarHBondContact N-OD2 3.11Å; C217-D220 WeakPolarHBondContact O-CB 3.43Å; C217-D220 PolarHBondContact O-N 3.19Å; C217-D220 PolarHBondContact SG-OD2 3.24Å; D220-R352 WeakPolarHBondContact OD1-CD 3.38Å; D220-R352 IonicContact OD1-CZ 3.49Å; D220-R352 VanDerWaalsContact OD1-CZ 3.3Å; D220-R352 IonicContact OD1-NE 2.66Å; D220-R352 PolarHBondContact OD1-NE 3.07Å; D220-R352 VanDerWaalsContact OD1-NE 3.14Å; D220-R352 IonicContact OD1-NH1 2.75Å; D220-R352 PolarHBondContact OD1-NH1 2.89Å; D220-R352 IonicContact OD2-CZ 3.88Å; D220-R352 IonicContact OD2-NE 2.68Å; D220-R352 IonicContact OD2-NH1 3.98Å; D220-R352 PolarHBondContact OD2-NH1 2.83Å; D220-R352 IonicContact OD2-NH2 2.77Å; D220-R352 PolarHBondContact OD2-NH2 2.81Å; D220-N400 VanDerWaalsContact OD1-CB 3.23Å; D220-N400 WeakPolarHBondContact OD1-CB 3.47Å; D220-N400 PolarHBondContact OD1-ND2 3.18Å
221	F	98.9	Very high	98.7	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	142.5	168.1	-145	-98.6	0	0	0	110.4	R138 A142 F398 A399 F402 I411 L414 D415	R138-F221 HydrophobicContact CB-CE2 4.16Å; A142-F221 HydrophobicContact CB-CE1 4.04Å; A142-F221 HydrophobicContact CB-CE2 4.25Å; A142-F221 HydrophobicContact CB-CZ 3.67Å; F221-F398 WeakPolarHBondContact O-CA 3.47Å; F221-A399 PolarHBondContact N-O 3.03Å; F221-A399 PolarHBondContact O-N 2.71Å; F221-F402 HydrophobicContact CB-CD2 3.39Å; F221-F402 HydrophobicContact CB-CE2 3.51Å; F221-F402 HydrophobicContact CB-CG 4Å; F221-F402 HydrophobicContact CB-CZ 4.22Å; F221-I411 HydrophobicContact CD2-CG2 4.16Å; F221-I411 HydrophobicContact CE1-CG2 4.47Å; F221-I411 HydrophobicContact CE2-CG2 3.73Å; F221-I411 HydrophobicContact CZ-CG2 3.9Å; F221-L414 HydrophobicContact CB-CD2 4.41Å; F221-L414 HydrophobicContact CD1-CB 4.46Å; F221-L414 HydrophobicContact CD1-CD2 3.64Å; F221-L414 HydrophobicContact CD1-CG 3.88Å; F221-L414 HydrophobicContact CE1-CD2 4.44Å; F221-L414 HydrophobicContact CE1-CG 4.23Å; F221-L414 HydrophobicContact CG-CD2 4.43Å; F221-D415 HydrophobicContact CE1-CB 3.97Å; F221-D415 HydrophobicContact CZ-CB 3.84Å
222	P	98.9	Very high	98.7	Very high	1 Å²	1	18 Å²	18	1%	0.006	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	149.1	176.5	27.2	-35.5	0	0	0	111	A142 I143 F398 L414 L418	A142-P222 HydrophobicContact CB-CG 3.75Å; I143-P222 HydrophobicContact CG2-CB 4.17Å; I143-P222 HydrophobicContact CG2-CG 3.84Å; P222-F398 VanDerWaalsContact CA-CD1 3.45Å; P222-F398 HydrophobicContact CB-CD1 3.99Å; P222-F398 HydrophobicContact CB-CE1 3.7Å; P222-F398 HydrophobicContact CB-CZ 4.27Å; P222-F398 HydrophobicContact CG-CE1 4.33Å; P222-L414 WeakPolarHBondContact O-CD2 3.41Å; P222-L418 HydrophobicContact CB-CD1 4.07Å; P222-L418 HydrophobicContact CG-CD1 3.95Å; P222-L418 WeakPolarHBondContact O-CD1 3.25Å
223	I	98.8	Very high	98.7	Very high	2 Å²	2	17.6 Å²	17.6	1%	0.01	9%	0.085	C	C	.	.	S	Bend	trans	-122.6	17.3	169.6	61.3	161.6	0	0	0	111.7	M391 L392 H396 L397 A399 L414	I223-M391 HydrophobicContact CD1-CG 4.32Å; I223-M391 HydrophobicContact CG2-CG 4.11Å; I223-M391 HydrophobicContact CG2-SD 3.64Å; I223-L392 HydrophobicContact CB-CD2 4.29Å; I223-H396 HydrophobicContact CD1-CB 4.13Å; I223-H396 WeakPolarHBondContact CD1-O 3.33Å; I223-H396 VanDerWaalsContact CG1-O 3.28Å; I223-H396 WeakPolarHBondContact CG1-O 3.39Å; I223-L397 WeakPolarHBondContact CG1-O 3.31Å; I223-L397 PolarHBondContact N-O 3.3Å; I223-A399 HydrophobicContact CG2-CB 3.89Å; I223-L414 HydrophobicContact CG2-CD1 4.39Å; I223-L414 HydrophobicContact CG2-CD2 4.03Å
224	K	98.8	Very high	98.6	Very high	16 Å²	16	21.7 Å²	21.7	7%	0.07	10%	0.102	C	C	.	.	S	Bend	trans	-144.6	145.4	179.5	-64.4	-60.8	169.3	-59.6	0	108.5	E228 I229 K394 H396	K224-E228 HydrophobicContact CB-CB 3.88Å; K224-E228 HydrophobicContact CD-CB 4.19Å; K224-E228 HydrophobicContact CG-CB 4.46Å; K224-I229 HydrophobicContact CB-CG1 3.82Å; K224-K394 WeakPolarHBondContact CE-O 3.19Å; K224-K394 PolarHBondContact NZ-O 3.3Å; K224-H396 WeakPolarHBondContact CG-O 3.26Å; K224-H396 PolarHBondContact NZ-O 3.05Å
225	T	98.8	Very high	98.6	Very high	11 Å²	11	28.1 Å²	28.1	7%	0.067	14%	0.136	C	C	.	.			trans	-70.1	163.8	171.1	68.6	0	0	0	0	110.6	L227 E228 I229 L418 K421 A422	T225-L227 VanDerWaalsContact C-N 3.29Å; T225-L227 PolarHBondContact O-N 2.59Å; T225-E228 PolarHBondContact N-OE2 3.23Å; T225-E228 PolarHBondContact O-N 2.97Å; T225-E228 WeakPolarHBondContact OG1-CG 3.34Å; T225-E228 PolarHBondContact OG1-N 3.29Å; T225-I229 WeakPolarHBondContact O-CG1 3.49Å; T225-I229 PolarHBondContact O-N 2.9Å; T225-L418 HydrophobicContact CG2-CD2 4.14Å; T225-K421 HydrophobicContact CG2-CB 4.09Å; T225-K421 HydrophobicContact CG2-CD 4.05Å; T225-K421 HydrophobicContact CG2-CG 4.05Å; T225-A422 HydrophobicContact CG2-CB 4.03Å
226	N	98.8	Very high	98.6	Very high	10 Å²	10	29.4 Å²	29.4	5%	0.053	14%	0.143	C	C	.	.	H	α-helix	trans	-55.9	-43.4	176.3	-178.7	78.1	0	0	0	111.9	E118 M145 N148 E228 I229 V230	E118-N226 WeakPolarHBondContact CG-ND2 3.38Å; E118-N226 WeakPolarHBondContact OE1-CB 3.37Å; E118-N226 PolarHBondContact OE1-ND2 2.68Å; M145-N226 HydrophobicContact CE-CB 3.88Å; M145-N226 HydrophobicContact CG-CB 3.91Å; N148-N226 PolarHBondContact ND2-OD1 2.85Å; N226-E228 PolarHBondContact O-N 3.34Å; N226-I229 WeakPolarHBondContact O-CB 3.21Å; N226-I229 PolarHBondContact O-N 3.45Å; N226-V230 WeakPolarHBondContact O-CG2 3.46Å; N226-V230 PolarHBondContact O-N 3.48Å
227	L	98.7	Very high	98.5	Very high	15 Å²	15	37.5 Å²	37.5	8%	0.079	18%	0.182	C	C	.	.	H	α-helix	trans	-58.1	-42.9	173.5	-178.7	61.3	0	0	0	113.2	E117 E118 T225 I229 V230 R231 T425	E117-L227 HydrophobicContact CB-CD1 4.36Å; E117-L227 HydrophobicContact CG-CD1 3.74Å; E117-L227 WeakPolarHBondContact OE2-CD1 3.35Å; E118-L227 HydrophobicContact CG-CB 3.99Å; E118-L227 HydrophobicContact CG-CD1 3.82Å; E118-L227 PolarHBondContact OE1-N 2.66Å; E118-L227 VanDerWaalsContact OE1-N 3.11Å; T225-L227 VanDerWaalsContact C-N 3.29Å; T225-L227 PolarHBondContact O-N 2.59Å; L227-I229 VanDerWaalsContact C-N 3.35Å; L227-V230 PolarHBondContact O-N 3.36Å; L227-R231 HydrophobicContact CD1-CG 4.46Å; L227-R231 WeakPolarHBondContact O-CB 3.23Å; L227-R231 WeakPolarHBondContact O-CG 3.38Å; L227-R231 PolarHBondContact O-N 3.42Å; L227-T425 HydrophobicContact CD2-CG2 4.33Å
228	E	98.8	Very high	98.4	Very high	51 Å²	51	38.5 Å²	38.5	24%	0.238	20%	0.196	C	C	.	.	H	α-helix	trans	-66.1	-37.8	176.6	-72.8	-177.5	118.6	0	0	112.2	K224 T225 N226 K232 K421	K224-E228 HydrophobicContact CB-CB 3.88Å; K224-E228 HydrophobicContact CD-CB 4.19Å; K224-E228 HydrophobicContact CG-CB 4.46Å; T225-E228 PolarHBondContact N-OE2 3.23Å; T225-E228 PolarHBondContact O-N 2.97Å; T225-E228 WeakPolarHBondContact OG1-CG 3.34Å; T225-E228 PolarHBondContact OG1-N 3.29Å; N226-E228 PolarHBondContact O-N 3.34Å; E228-K232 WeakPolarHBondContact O-CB 3.27Å; E228-K232 WeakPolarHBondContact O-CG 3.3Å; E228-K232 PolarHBondContact O-N 3.06Å; E228-K421 WeakPolarHBondContact OE1-CE 3.1Å; E228-K421 IonicContact OE1-NZ 3.12Å; E228-K421 PolarHBondContact OE1-NZ 3.4Å; E228-K421 IonicContact OE2-NZ 2.85Å; E228-K421 PolarHBondContact OE2-NZ 3.44Å
229	I	98.9	Very high	98.5	Very high	2 Å²	2	42.3 Å²	42.3	1%	0.01	21%	0.209	C	C	.	.	H	α-helix	trans	-62.3	-53.4	173.1	-65.1	169.8	0	0	0	109.3	I123 I214 K224 T225 N226 L227 R231 K232 L233 L397 F398	I123-I229 HydrophobicContact CD1-CB 4.39Å; I123-I229 HydrophobicContact CD1-CG2 3.63Å; I214-I229 HydrophobicContact CD1-CG2 4.01Å; K224-I229 HydrophobicContact CB-CG1 3.82Å; T225-I229 WeakPolarHBondContact O-CG1 3.49Å; T225-I229 PolarHBondContact O-N 2.9Å; N226-I229 WeakPolarHBondContact O-CB 3.21Å; N226-I229 PolarHBondContact O-N 3.45Å; L227-I229 VanDerWaalsContact C-N 3.35Å; I229-R231 VanDerWaalsContact C-N 3.29Å; I229-R231 PolarHBondContact O-N 2.7Å; I229-K232 PolarHBondContact O-N 2.85Å; I229-L233 HydrophobicContact CG2-CD1 3.72Å; I229-L233 HydrophobicContact CG2-CG 4.1Å; I229-L233 VanDerWaalsContact O-CG 3.27Å; I229-L233 WeakPolarHBondContact O-CG 3.4Å; I229-L233 PolarHBondContact O-N 3.24Å; I229-L397 HydrophobicContact CB-CD2 4.49Å; I229-L397 HydrophobicContact CG1-CB 4.48Å; I229-L397 HydrophobicContact CG1-CD2 4.19Å; I229-L397 HydrophobicContact CG2-CD1 4.23Å; I229-L397 HydrophobicContact CG2-CD2 4.39Å; I229-F398 HydrophobicContact CD1-CE2 4.09Å; I229-F398 HydrophobicContact CD1-CZ 4.2Å
230	V	98.9	Very high	98.5	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-50.4	-49.3	176.9	164.6	0	0	0	0	111.2	E117 E118 F121 I123 N226 L227 K232 L233 K234	E117-V230 HydrophobicContact CG-CG1 4.19Å; E118-V230 HydrophobicContact CG-CG2 4.31Å; F121-V230 HydrophobicContact CB-CG1 3.65Å; F121-V230 HydrophobicContact CB-CG2 4.26Å; F121-V230 HydrophobicContact CD1-CB 4.31Å; F121-V230 HydrophobicContact CD1-CG1 3.94Å; F121-V230 HydrophobicContact CD1-CG2 4.09Å; F121-V230 HydrophobicContact CG-CG1 3.84Å; I123-V230 HydrophobicContact CD1-CG2 3.92Å; N226-V230 WeakPolarHBondContact O-CG2 3.46Å; N226-V230 PolarHBondContact O-N 3.48Å; L227-V230 PolarHBondContact O-N 3.36Å; V230-K232 PolarHBondContact O-N 3.3Å; V230-L233 PolarHBondContact O-N 2.91Å; V230-K234 HydrophobicContact CG1-CD 4.28Å; V230-K234 WeakPolarHBondContact O-CG 3.41Å; V230-K234 PolarHBondContact O-N 2.89Å
231	R	98.7	Very high	98.5	Very high	130 Å²	130	40.9 Å²	40.9	49%	0.491	20%	0.203	S	C	.	.	H	α-helix	trans	-63.7	-40.7	179.9	-74.3	176.3	175.5	172.2	1.6	112.6	E117 L227 I229 K234 L235	E117-R231 IonicContact OE1-NE 3.84Å; E117-R231 IonicContact OE2-CZ 3.05Å; E117-R231 IonicContact OE2-NE 3.61Å; E117-R231 PolarHBondContact OE2-NE 3.36Å; E117-R231 IonicContact OE2-NH2 4Å; E117-R231 PolarHBondContact OE2-NH2 3.4Å; L227-R231 HydrophobicContact CD1-CG 4.46Å; L227-R231 WeakPolarHBondContact O-CB 3.23Å; L227-R231 WeakPolarHBondContact O-CG 3.38Å; L227-R231 PolarHBondContact O-N 3.42Å; I229-R231 VanDerWaalsContact C-N 3.29Å; I229-R231 PolarHBondContact O-N 2.7Å; R231-K234 PolarHBondContact O-N 3.41Å; R231-L235 WeakPolarHBondContact O-CG 3.45Å; R231-L235 PolarHBondContact O-N 3.34Å
232	K	98.7	Very high	98.5	Very high	52 Å²	52	41 Å²	41	23%	0.226	20%	0.203	C	C	.	.	H	α-helix	trans	-64.3	-41.9	174.9	-78.7	176.5	168.7	-75.4	0	112.3	E228 I229 V230 L235 L236 H395 L397	E228-K232 WeakPolarHBondContact O-CB 3.27Å; E228-K232 WeakPolarHBondContact O-CG 3.3Å; E228-K232 PolarHBondContact O-N 3.06Å; I229-K232 PolarHBondContact O-N 2.85Å; V230-K232 PolarHBondContact O-N 3.3Å; K232-L235 WeakPolarHBondContact O-CB 3.41Å; K232-L235 PolarHBondContact O-N 3.33Å; K232-L236 PolarHBondContact O-N 2.91Å; K232-H395 WeakPolarHBondContact CE-O 3.45Å; K232-H395 PolarHBondContact NZ-O 3.15Å; K232-L397 HydrophobicContact CB-CD2 3.94Å; K232-L397 HydrophobicContact CD-CD2 3.48Å; K232-L397 VanDerWaalsContact CD-CD2 3.48Å; K232-L397 HydrophobicContact CG-CD2 4.36Å
233	L	98.8	Very high	98.5	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.005	21%	0.211	C	C	.	.	H	α-helix	trans	-66.3	-38.3	178	-64.1	176.4	0	0	0	112	F121 I123 Y212 I214 I229 V230 L235 L236 V290 L397	F121-L233 HydrophobicContact CE1-CB 3.59Å; F121-L233 HydrophobicContact CE1-CD1 4Å; F121-L233 HydrophobicContact CE1-CG 4.47Å; F121-L233 HydrophobicContact CZ-CB 3.91Å; I123-L233 HydrophobicContact CD1-CD1 3.76Å; I123-L233 HydrophobicContact CG1-CD1 3.88Å; Y212-L233 HydrophobicContact CD1-CD2 4.17Å; Y212-L233 HydrophobicContact CD2-CB 3.97Å; Y212-L233 HydrophobicContact CD2-CD1 4.34Å; Y212-L233 HydrophobicContact CD2-CD2 4.35Å; Y212-L233 HydrophobicContact CD2-CG 4.45Å; Y212-L233 HydrophobicContact CE2-CB 4.23Å; Y212-L233 HydrophobicContact CG-CB 4.46Å; Y212-L233 HydrophobicContact CG-CD1 4.27Å; Y212-L233 HydrophobicContact CG-CD2 4.01Å; Y212-L233 HydrophobicContact CG-CG 4.48Å; I214-L233 HydrophobicContact CD1-CD1 4.43Å; I229-L233 HydrophobicContact CG2-CD1 3.72Å; I229-L233 HydrophobicContact CG2-CG 4.1Å; I229-L233 VanDerWaalsContact O-CG 3.27Å; I229-L233 WeakPolarHBondContact O-CG 3.4Å; I229-L233 PolarHBondContact O-N 3.24Å; V230-L233 PolarHBondContact O-N 2.91Å; L233-L235 PolarHBondContact O-N 3.49Å; L233-L236 HydrophobicContact CD2-CD1 4.03Å; L233-L236 WeakPolarHBondContact O-CB 3.4Å; L233-L236 PolarHBondContact O-N 3.05Å; L233-L236 VanDerWaalsContact O-N 3.07Å; L233-V290 HydrophobicContact CD2-CG1 3.24Å; L233-L397 HydrophobicContact CD2-CD1 4.2Å
234	K	98.6	Very high	98.5	Very high	85 Å²	85	42.5 Å²	42.5	37%	0.37	21%	0.21	S	C	.	.	H	α-helix	trans	-58.5	-36.2	172.4	-75.3	178.8	-179.9	-178.1	0	112.5	E117 F121 V230 R231 L236 M237	E117-K234 IonicContact OE1-NZ 3.22Å; E117-K234 PolarHBondContact OE1-NZ 3.16Å; F121-K234 HydrophobicContact CD2-CD 4.35Å; F121-K234 HydrophobicContact CD2-CG 3.75Å; F121-K234 HydrophobicContact CE2-CG 3.49Å; F121-K234 VanDerWaalsContact CE2-CG 3.49Å; F121-K234 HydrophobicContact CG-CG 4.44Å; F121-K234 HydrophobicContact CZ-CG 4Å; V230-K234 HydrophobicContact CG1-CD 4.28Å; V230-K234 WeakPolarHBondContact O-CG 3.41Å; V230-K234 PolarHBondContact O-N 2.89Å; R231-K234 PolarHBondContact O-N 3.41Å; K234-L236 PolarHBondContact O-N 3.06Å; K234-M237 PolarHBondContact O-N 2.95Å
235	L	98.3	Very high	98.5	Very high	137 Å²	137	45.1 Å²	45.1	72%	0.717	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-15.7	177.6	-66.8	171.9	0	0	0	113.6	R231 K232 L233 M237	R231-L235 WeakPolarHBondContact O-CG 3.45Å; R231-L235 PolarHBondContact O-N 3.34Å; K232-L235 WeakPolarHBondContact O-CB 3.41Å; K232-L235 PolarHBondContact O-N 3.33Å; L233-L235 PolarHBondContact O-N 3.49Å; L235-M237 PolarHBondContact O-N 2.86Å
236	L	97.9	Very high	98.5	Very high	28 Å²	28	53.9 Å²	53.9	15%	0.147	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-14.1	173.3	-60	179.3	0	0	0	112.5	Y212 K232 L233 K234 G238 E239 V290	Y212-L236 HydrophobicContact CE1-CD1 3.92Å; Y212-L236 WeakPolarHBondContact OH-CB 3.39Å; K232-L236 PolarHBondContact O-N 2.91Å; L233-L236 HydrophobicContact CD2-CD1 4.03Å; L233-L236 WeakPolarHBondContact O-CB 3.4Å; L233-L236 PolarHBondContact O-N 3.05Å; L233-L236 VanDerWaalsContact O-N 3.07Å; K234-L236 PolarHBondContact O-N 3.06Å; L236-G238 PolarHBondContact O-N 3.42Å; L236-E239 WeakPolarHBondContact CB-O 3.22Å; L236-E239 VanDerWaalsContact O-CB 3.32Å; L236-E239 WeakPolarHBondContact O-CB 3.32Å; L236-E239 PolarHBondContact O-N 2.87Å; L236-V290 HydrophobicContact CD1-CG1 4.16Å
237	M	97	Very high	98.4	Very high	169 Å²	169	54.6 Å²	54.6	83%	0.833	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.9	32.9	175.2	-58.2	-176.3	-66.3	0	0	114.5	K234 L235	K234-M237 PolarHBondContact O-N 2.95Å; L235-M237 PolarHBondContact O-N 2.86Å
238	G	96.4	Very high	98.4	Very high	39 Å²	39	55.8 Å²	55.8	40%	0.402	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	94.9	-8.4	-178.9	0	0	0	0	0	114.9	Y212 L236	Y212-G238 VanDerWaalsContact OH-CA 3.27Å; Y212-G238 WeakPolarHBondContact OH-CA 3.38Å; Y212-G238 PolarHBondContact OH-N 3.26Å; L236-G238 PolarHBondContact O-N 3.42Å
239	E	98.3	Very high	98.3	Very high	98 Å²	98	57.8 Å²	57.8	46%	0.458	29%	0.286	S	S	.	.			trans	-73.3	156.8	170.7	-62	-175.2	177.2	0	0	111.7	Y212 L236	Y212-E239 VanDerWaalsContact CE1-O 3.24Å; Y212-E239 WeakPolarHBondContact CE1-O 3.25Å; Y212-E239 PolarHBondContact OH-O 3.15Å; L236-E239 WeakPolarHBondContact CB-O 3.22Å; L236-E239 VanDerWaalsContact O-CB 3.32Å; L236-E239 WeakPolarHBondContact O-CB 3.32Å; L236-E239 PolarHBondContact O-N 2.87Å
240	N	98.8	Very high	98.2	Very high	4 Å²	4	64.8 Å²	64.8	2%	0.021	32%	0.319	C	S	.	.			trans	-91.2	161	172.9	-49.8	-44.7	0	0	0	110.4	L242 V290 V291 S292 Y295 Q327 P333 G334	N240-L242 HydrophobicContact CB-CD2 4.22Å; N240-V290 WeakPolarHBondContact CA-O 3.41Å; N240-V290 WeakPolarHBondContact CB-O 3.24Å; N240-V291 HydrophobicContact CB-CB 4.5Å; N240-V291 HydrophobicContact CB-CG1 4.14Å; N240-V291 WeakPolarHBondContact OD1-CA 3.13Å; N240-S292 PolarHBondContact OD1-N 3.37Å; N240-S292 PolarHBondContact OD1-OG 3.46Å; N240-Y295 WeakPolarHBondContact ND2-CD2 3.39Å; N240-Q327 VanDerWaalsContact CB-OE1 3.3Å; N240-Q327 PolarHBondContact ND2-OE1 3.43Å; N240-P333 PolarHBondContact ND2-O 2.87Å; N240-G334 PolarHBondContact N-O 3.18Å; N240-G334 VanDerWaalsContact N-O 3.1Å; N240-G334 VanDerWaalsContact ND2-C 3.32Å; N240-G334 PolarHBondContact ND2-O 3.35Å
241	S	98.7	Very high	98.2	Very high	8 Å²	8	66.4 Å²	66.4	6%	0.056	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	113	173	-169.5	0	0	0	0	111.4	V290 V350	S241-V290 PolarHBondContact N-O 3.47Å; S241-V290 WeakPolarHBondContact O-CB 3.2Å; S241-V290 PolarHBondContact O-N 3.21Å; S241-V350 PolarHBondContact OG-N 2.95Å
242	L	98.9	Very high	98.1	Very high	2 Å²	2	63 Å²	63	1%	0.01	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	159.9	175.7	57.4	124	0	0	0	109.5	N240 T244 F289 V291 W323 A324 Q327	N240-L242 HydrophobicContact CB-CD2 4.22Å; L242-T244 PolarHBondContact O-N 2.92Å; L242-F289 HydrophobicContact CB-CB 3.79Å; L242-F289 HydrophobicContact CD2-CB 4.01Å; L242-F289 HydrophobicContact CG-CB 4.4Å; L242-V291 HydrophobicContact CD2-CG1 3.94Å; L242-W323 HydrophobicContact CD1-CB 4.03Å; L242-A324 HydrophobicContact CD1-CB 4.5Å; L242-Q327 HydrophobicContact CD1-CB 3.99Å; L242-Q327 HydrophobicContact CD1-CG 4.28Å; L242-Q327 HydrophobicContact CD2-CB 4.13Å; L242-Q327 HydrophobicContact CD2-CG 3.98Å; L242-Q327 HydrophobicContact CG-CB 4.31Å; L242-Q327 HydrophobicContact CG-CG 4.1Å
243	E	98.9	Very high	98	Very high	35 Å²	35	65.2 Å²	65.2	16%	0.164	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	124	173.7	-174.9	-170.4	159.9	0	0	109.6	G285 S286 A324 L344 D346	E243-G285 WeakPolarHBondContact O-CA 3.39Å; E243-S286 WeakPolarHBondContact OE2-CB 3.47Å; E243-A324 WeakPolarHBondContact O-CB 3.4Å; E243-L344 CarbonylContact C-O 3.56Å; E243-L344 WeakPolarHBondContact CA-O 3.44Å; E243-D346 HydrophobicContact CG-CB 4.43Å
244	T	98.8	Very high	97.9	Very high	0 Å²	0	68.1 Å²	68.1	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152	99.5	178.8	176.5	0	0	0	0	109.4	L242 S284 A324 Q327 R328 D343 L344	L242-T244 PolarHBondContact O-N 2.92Å; T244-S284 WeakPolarHBondContact CA-O 3.45Å; T244-A324 PolarHBondContact OG1-O 3.06Å; T244-Q327 HydrophobicContact CG2-CG 4.05Å; T244-R328 PolarHBondContact O-NH1 2.92Å; T244-R328 VanDerWaalsContact O-NH1 3.11Å; T244-R328 WeakPolarHBondContact OG1-CD 3.45Å; T244-R328 VanDerWaalsContact OG1-CG 3.31Å; T244-R328 WeakPolarHBondContact OG1-CG 3.35Å; T244-R328 PolarHBondContact OG1-NH1 3.21Å; T244-R328 VanDerWaalsContact OG1-NH1 3.13Å; T244-D343 VanDerWaalsContact O-CA 3.26Å; T244-D343 WeakPolarHBondContact O-CA 3.15Å; T244-L344 HydrophobicContact CG2-CB 4.35Å; T244-L344 PolarHBondContact N-O 3.38Å; T244-L344 PolarHBondContact O-N 3.03Å
245	E	98.6	Very high	97.9	Very high	70 Å²	70	65.5 Å²	65.5	33%	0.327	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	158.7	-178.2	-60.6	-171.8	95.5	0	0	110.4	M247 F283 S284 D343 L344	E245-M247 PolarHBondContact O-N 2.97Å; E245-F283 CarbonylContact O-C 3.59Å; E245-F283 WeakPolarHBondContact O-CA 3.32Å; E245-F283 WeakPolarHBondContact O-CB 3.43Å; E245-F283 WeakPolarHBondContact O-CD1 3.37Å; E245-S284 PolarHBondContact N-O 2.87Å; E245-S284 PolarHBondContact O-N 3.17Å; E245-D343 HydrophobicContact CG-CB 4.35Å; E245-L344 WeakPolarHBondContact CG-O 3.43Å
246	R	98.1	Very high	97.9	Very high	196 Å²	196	62.6 Å²	62.6	74%	0.74	31%	0.306	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-47.7	129.5	172.6	-176.8	178.1	-179.6	179.1	1.3	111.3	P248 D343	R246-P248 VanDerWaalsContact O-CD 3.25Å; R246-P248 WeakPolarHBondContact O-CD 3.49Å; R246-D343 PolarHBondContact N-OD2 2.64Å
247	M	98.4	Very high	97.9	Very high	25 Å²	25	63.4 Å²	63.4	12%	0.123	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-54.6	120.6	179.4	-178.6	59.7	66.4	0	0	111.8	E245 K251 E252 L282 F283 Y321	E245-M247 PolarHBondContact O-N 2.97Å; M247-K251 HydrophobicContact SD-CB 3.73Å; M247-E252 HydrophobicContact CG-CG 4.48Å; M247-L282 WeakPolarHBondContact CB-O 3.45Å; M247-L282 HydrophobicContact CE-CB 4.02Å; M247-F283 WeakPolarHBondContact CE-O 3.31Å; M247-Y321 HydrophobicContact CE-CG 4.45Å
248	P	97.8	Very high	98	Very high	39 Å²	39	60.2 Å²	60.2	25%	0.253	29%	0.288	S	S	.	.	P	Polyproline II helix	trans	-68.3	138.6	172.8	-20.6	33.2	0	0	0	111.5	R246 H250 K251 S284	R246-P248 VanDerWaalsContact O-CD 3.25Å; R246-P248 WeakPolarHBondContact O-CD 3.49Å; P248-H250 WeakPolarHBondContact CB-CE1 3.35Å; P248-H250 PolarHBondContact O-N 3.41Å; P248-K251 HydrophobicContact CB-CG 4.49Å; P248-K251 HydrophobicContact CG-CD 4.49Å; P248-K251 PolarHBondContact O-N 2.62Å; P248-S284 VanDerWaalsContact CD-CB 3.47Å
249	S	97.3	Very high	98.1	Very high	94 Å²	94	59.5 Å²	59.5	66%	0.657	27%	0.273	S	S	*	.	G	3₁₀ helix	trans	-57.5	-35.1	-178.2	55.7	0	0	0	0	113.5	K251 E252	S249-K251 PolarHBondContact O-N 2.69Å; S249-E252 WeakPolarHBondContact O-CB 3.3Å; S249-E252 WeakPolarHBondContact O-CG 3.32Å; S249-E252 PolarHBondContact O-N 2.86Å
250	H	96.7	Very high	98.1	Very high	149 Å²	149	59.4 Å²	59.4	69%	0.69	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-70.9	-10.4	179.1	68.6	-93.2	0	0	0	113.9	P248	P248-H250 WeakPolarHBondContact CB-CE1 3.35Å; P248-H250 PolarHBondContact O-N 3.41Å
251	K	97.9	Very high	98	Very high	33 Å²	33	62.9 Å²	62.9	14%	0.143	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-95.4	-4.7	174.8	-69.4	-163.3	177.9	-169.2	0	113.2	M247 P248 S249 E253 R254 S284 E320	M247-K251 HydrophobicContact SD-CB 3.73Å; P248-K251 HydrophobicContact CB-CG 4.49Å; P248-K251 HydrophobicContact CG-CD 4.49Å; P248-K251 PolarHBondContact O-N 2.62Å; S249-K251 PolarHBondContact O-N 2.69Å; K251-E253 PolarHBondContact O-N 3.27Å; K251-R254 VanDerWaalsContact O-CB 3.23Å; K251-R254 WeakPolarHBondContact O-CB 3.46Å; K251-R254 WeakPolarHBondContact O-CG 3.38Å; K251-R254 PolarHBondContact O-N 3.49Å; K251-S284 PolarHBondContact NZ-OG 2.6Å; K251-E320 IonicContact NZ-OE2 3.77Å; K251-E320 PolarHBondContact NZ-OE2 3.07Å
252	E	96.3	Very high	97.9	Very high	59 Å²	59	66 Å²	66	28%	0.276	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-33.1	-172.8	-65.3	-176.1	-175.2	0	0	114.4	M247 S249 R254 W255 K256	M247-E252 HydrophobicContact CG-CG 4.48Å; S249-E252 WeakPolarHBondContact O-CB 3.3Å; S249-E252 WeakPolarHBondContact O-CG 3.32Å; S249-E252 PolarHBondContact O-N 2.86Å; E252-R254 PolarHBondContact O-N 2.79Å; E252-W255 HydrophobicContact CB-CZ2 3.89Å; E252-W255 HydrophobicContact CG-CZ2 3.74Å; E252-W255 PolarHBondContact O-N 3.31Å; E252-W255 VanDerWaalsContact O-N 3.16Å; E252-K256 HydrophobicContact CB-CD 4.24Å; E252-K256 WeakPolarHBondContact O-CG 3.32Å; E252-K256 PolarHBondContact O-N 3.24Å; E252-K256 VanDerWaalsContact OE2-CE 3.3Å; E252-K256 WeakPolarHBondContact OE2-CE 3.23Å; E252-K256 IonicContact OE2-NZ 3.07Å; E252-K256 PolarHBondContact OE2-NZ 3.37Å
253	E	97	Very high	97.7	Very high	98 Å²	98	73.8 Å²	73.8	46%	0.458	35%	0.354	S	S	.	.	H	α-helix	trans	-61.4	-17	176.8	-73.2	-58.4	127.8	0	0	113.4	K251 W255 K257 Y259	K251-E253 PolarHBondContact O-N 3.27Å; E253-W255 VanDerWaalsContact C-N 3.29Å; E253-W255 PolarHBondContact O-N 2.77Å; E253-K257 WeakPolarHBondContact OE2-CE 3.35Å; E253-K257 WeakPolarHBondContact OE2-CG 3.44Å; E253-Y259 PolarHBondContact O-OH 3.15Å
254	R	98.3	Very high	97.4	Very high	63 Å²	63	74.9 Å²	74.9	24%	0.238	37%	0.374	C	S	.	.	H	α-helix	trans	-68.1	-29	177.7	-66.1	-175.8	178.2	-167.8	1.7	113	K251 E252 Y259 T315 Y316 E320	K251-R254 VanDerWaalsContact O-CB 3.23Å; K251-R254 WeakPolarHBondContact O-CB 3.46Å; K251-R254 WeakPolarHBondContact O-CG 3.38Å; K251-R254 PolarHBondContact O-N 3.49Å; E252-R254 PolarHBondContact O-N 2.79Å; R254-Y259 WeakPolarHBondContact O-CE2 3.39Å; R254-T315 WeakPolarHBondContact O-CB 3.32Å; R254-Y316 WeakPolarHBondContact CB-O 3.47Å; R254-Y316 HydrophobicContact CG-CD1 3.98Å; R254-Y316 HydrophobicContact CG-CG 4.49Å; R254-Y316 PolarHBondContact O-N 2.85Å; R254-E320 IonicContact CZ-OE2 2.62Å; R254-E320 VanDerWaalsContact NH1-CD 3.33Å; R254-E320 IonicContact NH1-OE1 3.37Å; R254-E320 IonicContact NH1-OE2 3.84Å; R254-E320 PolarHBondContact NH1-OE2 3.26Å; R254-E320 IonicContact NH2-OE2 2.69Å
255	W	98.1	Very high	97.3	Very high	30 Å²	30	82.2 Å²	82.2	11%	0.114	41%	0.406	C	S	.	.	H	α-helix	trans	-122.1	-15.3	-175.7	56.2	-104.3	0	0	0	113.8	E252 E253 K257 L282 W311 T315 Y321	E252-W255 HydrophobicContact CB-CZ2 3.89Å; E252-W255 HydrophobicContact CG-CZ2 3.74Å; E252-W255 PolarHBondContact O-N 3.31Å; E252-W255 VanDerWaalsContact O-N 3.16Å; E253-W255 VanDerWaalsContact C-N 3.29Å; E253-W255 PolarHBondContact O-N 2.77Å; W255-K257 PolarHBondContact O-N 3.26Å; W255-L282 HydrophobicContact CB-CD1 4.43Å; W255-L282 HydrophobicContact CD2-CD1 3.57Å; W255-L282 HydrophobicContact CE3-CD1 4.02Å; W255-L282 HydrophobicContact CG-CD1 3.74Å; W255-L282 HydrophobicContact CZ2-CD1 4.26Å; W255-W311 HydrophobicContact CB-CH2 3.82Å; W255-W311 HydrophobicContact CE3-CH2 4.34Å; W255-W311 HydrophobicContact CE3-CZ2 4.45Å; W255-W311 HydrophobicContact CG-CH2 4.42Å; W255-T315 HydrophobicContact CB-CG2 4.14Å; W255-Y321 HydrophobicContact CB-CE1 4.29Å
256	K	98.2	Very high	97.2	Very high	75 Å²	75	79.5 Å²	79.5	33%	0.326	39%	0.394	S	S	.	.	H	α-helix	trans	-72.1	-17.7	169.9	-73.2	-176.2	-179.1	172	0	113.5	E252 V272 K273	E252-K256 HydrophobicContact CB-CD 4.24Å; E252-K256 WeakPolarHBondContact O-CG 3.32Å; E252-K256 PolarHBondContact O-N 3.24Å; E252-K256 VanDerWaalsContact OE2-CE 3.3Å; E252-K256 WeakPolarHBondContact OE2-CE 3.23Å; E252-K256 IonicContact OE2-NZ 3.07Å; E252-K256 PolarHBondContact OE2-NZ 3.37Å; K256-V272 WeakPolarHBondContact O-CA 3.28Å; K256-K273 PolarHBondContact O-N 2.95Å
257	K	98.1	Very high	97.2	Very high	46 Å²	46	73 Å²	73	20%	0.2	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	148.4	-177.4	-60	-62.8	-169.9	172	0	111.2	E253 W255 Y259 N268 G270 T271 V272 K273	E253-K257 WeakPolarHBondContact OE2-CE 3.35Å; E253-K257 WeakPolarHBondContact OE2-CG 3.44Å; W255-K257 PolarHBondContact O-N 3.26Å; K257-Y259 HydrophobicContact CB-CE2 3.85Å; K257-Y259 WeakPolarHBondContact O-CD2 3.45Å; K257-Y259 WeakPolarHBondContact O-CE2 3.25Å; K257-N268 WeakPolarHBondContact CB-OD1 3.39Å; K257-G270 PolarHBondContact NZ-O 3.33Å; K257-G270 VanDerWaalsContact NZ-O 3.09Å; K257-T271 CarbonylContact C-O 3.57Å; K257-T271 WeakPolarHBondContact CA-O 3.35Å; K257-V272 HydrophobicContact CD-CG2 4.35Å; K257-K273 VanDerWaalsContact O-CD 3.24Å; K257-K273 WeakPolarHBondContact O-CD 3.35Å
258	R	98.1	Very high	97.2	Very high	102 Å²	102	74.9 Å²	74.9	39%	0.385	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	137.2	171.5	170.1	178.9	-67.4	-115.8	-8.1	110	E260 T269 T271 K273 D314	R258-E260 HydrophobicContact CG-CG 4.48Å; R258-T269 WeakPolarHBondContact CB-OG1 3.47Å; R258-T269 HydrophobicContact CG-CG2 4.14Å; R258-T269 WeakPolarHBondContact O-CB 3.24Å; R258-T269 WeakPolarHBondContact O-CG2 3.29Å; R258-T269 PolarHBondContact O-N 3.41Å; R258-T269 PolarHBondContact O-OG1 3.37Å; R258-T271 PolarHBondContact N-O 2.87Å; R258-K273 HydrophobicContact CB-CD 4.41Å; R258-K273 HydrophobicContact CB-CG 4.05Å; R258-D314 CarbonylContact C-O 3.55Å; R258-D314 WeakPolarHBondContact CA-O 3.41Å; R258-D314 HydrophobicContact CG-CB 4.13Å; R258-D314 WeakPolarHBondContact CG-OD2 3.49Å; R258-D314 IonicContact CZ-OD2 3.08Å; R258-D314 IonicContact NE-OD2 2.69Å; R258-D314 PolarHBondContact NE-OD2 2.87Å; R258-D314 VanDerWaalsContact NE-OD2 3.07Å; R258-D314 IonicContact NH1-OD2 3.78Å; R258-D314 IonicContact NH2-OD2 3.12Å; R258-D314 PolarHBondContact NH2-OD2 2.99Å; R258-D314 VanDerWaalsContact NH2-OD2 3.12Å
259	Y	98.5	Very high	97.2	Very high	24 Å²	24	75.6 Å²	75.6	9%	0.094	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	142	177	-69.9	-102.9	0	0	0	110.9	E253 R254 K257 L266 T267 N268 D314 Y316	E253-Y259 PolarHBondContact O-OH 3.15Å; R254-Y259 WeakPolarHBondContact O-CE2 3.39Å; K257-Y259 HydrophobicContact CB-CE2 3.85Å; K257-Y259 WeakPolarHBondContact O-CD2 3.45Å; K257-Y259 WeakPolarHBondContact O-CE2 3.25Å; Y259-L266 HydrophobicContact CD1-CD2 4.47Å; Y259-L266 HydrophobicContact CD1-CG 4.24Å; Y259-L266 HydrophobicContact CG-CD2 4.47Å; Y259-L266 HydrophobicContact CG-CG 4.38Å; Y259-T267 VanDerWaalsContact CA-O 3.26Å; Y259-T267 WeakPolarHBondContact CA-O 3.46Å; Y259-N268 HydrophobicContact CD1-CB 3.96Å; Y259-N268 HydrophobicContact CE1-CB 3.47Å; Y259-N268 VanDerWaalsContact CE1-CB 3.47Å; Y259-N268 PolarHBondContact OH-ND2 3.27Å; Y259-D314 PolarHBondContact N-O 2.73Å; Y259-Y316 AromaticContact CD1-CD2 3.73Å; Y259-Y316 HydrophobicContact CD1-CD2 3.73Å; Y259-Y316 HydrophobicContact CD1-CG 4.28Å; Y259-Y316 AromaticContact CE1-CD2 3.6Å; Y259-Y316 HydrophobicContact CE1-CD2 3.6Å; Y259-Y316 AromaticContact CE1-CG 3.98Å; Y259-Y316 HydrophobicContact CE1-CG 3.98Å
260	E	98	Very high	97.1	Very high	95 Å²	95	73.2 Å²	73.2	44%	0.444	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	152	179	-70.2	177.2	-174.5	0	0	110.3	R258 V262 T267 T269	R258-E260 HydrophobicContact CG-CG 4.48Å; E260-V262 PolarHBondContact O-N 3.09Å; E260-T267 PolarHBondContact N-O 2.86Å; E260-T267 PolarHBondContact O-N 3.43Å; E260-T269 HydrophobicContact CB-CG2 3.99Å; E260-T269 HydrophobicContact CG-CG2 3.76Å
261	V	97.6	Very high	97.2	Very high	77 Å²	77	69.8 Å²	69.8	47%	0.467	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	112.3	177.8	-179.8	0	0	0	0	108.9	V186 L266	V186-V261 HydrophobicContact CB-CG2 4.43Å; V186-V261 HydrophobicContact CG1-CG1 4.33Å; V186-V261 HydrophobicContact CG1-CG2 4.19Å; V186-V261 HydrophobicContact CG2-CG1 4.31Å; V186-V261 HydrophobicContact CG2-CG2 4.45Å; V261-L266 HydrophobicContact CG2-CD1 4.07Å
262	V	96.6	Very high	97.2	Very high	74 Å²	74	73.1 Å²	73.1	45%	0.448	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	122.1	175.8	-177.6	0	0	0	0	107.8	E260 G264 K265	E260-V262 PolarHBondContact O-N 3.09Å; V262-G264 VanDerWaalsContact C-N 3.27Å; V262-G264 PolarHBondContact O-N 2.77Å; V262-K265 PolarHBondContact N-O 2.94Å; V262-K265 PolarHBondContact O-N 2.86Å; V262-K265 VanDerWaalsContact O-O 3.07Å
263	N	94.2	Very high	97.2	Very high	166 Å²	166	71.6 Å²	71.6	89%	0.888	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.3	43.1	-178.1	-59.4	-31.8	0	0	0	113.4	K265	N263-K265 PolarHBondContact O-N 3.02Å
264	G	93.1	Very high	97.2	Very high	57 Å²	57	74.7 Å²	74.7	59%	0.588	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.2	6.9	179	0	0	0	0	0	115.2	V186 V262	V186-G264 WeakPolarHBondContact CG1-O 3.21Å; V262-G264 VanDerWaalsContact C-N 3.27Å; V262-G264 PolarHBondContact O-N 2.77Å
265	K	96	Very high	97.1	Very high	154 Å²	154	78.7 Å²	78.7	67%	0.67	43%	0.427	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.7	133.5	177.1	-174.2	-179.6	176.9	-175.7	0	111.1	V262 N263 T267	V262-K265 PolarHBondContact N-O 2.94Å; V262-K265 PolarHBondContact O-N 2.86Å; V262-K265 VanDerWaalsContact O-O 3.07Å; N263-K265 PolarHBondContact O-N 3.02Å; K265-T267 PolarHBondContact O-N 2.99Å; K265-T267 PolarHBondContact O-OG1 3.4Å
266	L	97.6	Very high	97	Very high	13 Å²	13	78.5 Å²	78.5	7%	0.068	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	122.8	173	-167.6	70.9	0	0	0	110.3	A188 Y259 V261 Y316	A188-L266 HydrophobicContact CB-CD2 4.33Å; A188-L266 WeakPolarHBondContact O-CD2 3.43Å; Y259-L266 HydrophobicContact CD1-CD2 4.47Å; Y259-L266 HydrophobicContact CD1-CG 4.24Å; Y259-L266 HydrophobicContact CG-CD2 4.47Å; Y259-L266 HydrophobicContact CG-CG 4.38Å; V261-L266 HydrophobicContact CG2-CD1 4.07Å; L266-Y316 HydrophobicContact CD2-CD2 3.77Å; L266-Y316 HydrophobicContact CD2-CE2 4.45Å; L266-Y316 HydrophobicContact CD2-CG 4.31Å; L266-Y316 HydrophobicContact CG-CD2 4.37Å
267	T	97.9	Very high	97	Very high	59 Å²	59	78 Å²	78	36%	0.362	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	138.5	-171	-56.5	0	0	0	0	110.5	Y259 E260 K265 T269	Y259-T267 VanDerWaalsContact CA-O 3.26Å; Y259-T267 WeakPolarHBondContact CA-O 3.46Å; E260-T267 PolarHBondContact N-O 2.86Å; E260-T267 PolarHBondContact O-N 3.43Å; K265-T267 PolarHBondContact O-N 2.99Å; K265-T267 PolarHBondContact O-OG1 3.4Å; T267-T269 PolarHBondContact O-N 2.86Å
268	N	97.6	Very high	96.9	Very high	66 Å²	66	77.5 Å²	77.5	35%	0.353	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	125.8	177	-169.8	-28	0	0	0	109.9	K257 Y259 G270	K257-N268 WeakPolarHBondContact CB-OD1 3.39Å; Y259-N268 HydrophobicContact CD1-CB 3.96Å; Y259-N268 HydrophobicContact CE1-CB 3.47Å; Y259-N268 VanDerWaalsContact CE1-CB 3.47Å; Y259-N268 PolarHBondContact OH-ND2 3.27Å; N268-G270 VanDerWaalsContact C-N 3.34Å; N268-G270 WeakPolarHBondContact OD1-CA 3.47Å; N268-G270 PolarHBondContact OD1-N 3.32Å
269	T	97.4	Very high	96.6	Very high	53 Å²	53	82.5 Å²	82.5	33%	0.325	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	-9.3	-179.8	65.9	0	0	0	0	113.4	R258 E260 T267 T271	R258-T269 WeakPolarHBondContact CB-OG1 3.47Å; R258-T269 HydrophobicContact CG-CG2 4.14Å; R258-T269 WeakPolarHBondContact O-CB 3.24Å; R258-T269 WeakPolarHBondContact O-CG2 3.29Å; R258-T269 PolarHBondContact O-N 3.41Å; R258-T269 PolarHBondContact O-OG1 3.37Å; E260-T269 HydrophobicContact CB-CG2 3.99Å; E260-T269 HydrophobicContact CG-CG2 3.76Å; T267-T269 PolarHBondContact O-N 2.86Å; T269-T271 PolarHBondContact O-N 2.86Å; T269-T271 WeakPolarHBondContact OG1-CB 3.22Å; T269-T271 PolarHBondContact OG1-N 3.01Å; T269-T271 PolarHBondContact OG1-OG1 2.86Å
270	G	96.4	Very high	96.4	Very high	45 Å²	45	82.3 Å²	82.3	46%	0.464	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	79.7	-20.6	-171.6	0	0	0	0	0	114.1	K257 N268 V272	K257-G270 PolarHBondContact NZ-O 3.33Å; K257-G270 VanDerWaalsContact NZ-O 3.09Å; N268-G270 VanDerWaalsContact C-N 3.34Å; N268-G270 WeakPolarHBondContact OD1-CA 3.47Å; N268-G270 PolarHBondContact OD1-N 3.32Å; G270-V272 PolarHBondContact O-N 3.31Å
271	T	97.8	Very high	96.4	Very high	76 Å²	76	81.7 Å²	81.7	47%	0.466	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	127.5	-179.5	-54.6	0	0	0	0	111	K257 R258 T269	K257-T271 CarbonylContact C-O 3.57Å; K257-T271 WeakPolarHBondContact CA-O 3.35Å; R258-T271 PolarHBondContact N-O 2.87Å; T269-T271 PolarHBondContact O-N 2.86Å; T269-T271 WeakPolarHBondContact OG1-CB 3.22Å; T269-T271 PolarHBondContact OG1-N 3.01Å; T269-T271 PolarHBondContact OG1-OG1 2.86Å
272	V	97.9	Very high	96.4	Very high	104 Å²	104	78.7 Å²	78.7	63%	0.63	45%	0.449	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.9	132.8	176.9	177	0	0	0	0	109.7	K256 K257 G270	K256-V272 WeakPolarHBondContact O-CA 3.28Å; K257-V272 HydrophobicContact CD-CG2 4.35Å; G270-V272 PolarHBondContact O-N 3.31Å
273	K	97.6	Very high	96.5	Very high	27 Å²	27	75.5 Å²	75.5	12%	0.117	43%	0.429	C	S	.	.	P	Polyproline II helix	trans	-86.2	153.3	173.8	-74.8	175.5	58.1	70.4	0	111	K256 K257 R258 W311 D314 T315	K256-K273 PolarHBondContact O-N 2.95Å; K257-K273 VanDerWaalsContact O-CD 3.24Å; K257-K273 WeakPolarHBondContact O-CD 3.35Å; R258-K273 HydrophobicContact CB-CD 4.41Å; R258-K273 HydrophobicContact CB-CG 4.05Å; K273-W311 WeakPolarHBondContact CE-O 3.33Å; K273-W311 PolarHBondContact NZ-O 2.87Å; K273-D314 IonicContact NZ-OD1 2.99Å; K273-D314 PolarHBondContact NZ-OD1 2.98Å; K273-D314 IonicContact NZ-OD2 2.71Å; K273-D314 PolarHBondContact NZ-OD2 2.85Å; K273-T315 HydrophobicContact CD-CG2 3.98Å; K273-T315 VanDerWaalsContact CE-CG2 3.46Å
274	M	96.2	Very high	96.7	Very high	162 Å²	162	67.9 Å²	67.9	80%	0.798	39%	0.388	S	S	*	.	P	Polyproline II helix	trans	-62.8	157.4	166	-60.8	-172.6	-63	0	0	110.5	W311	M274-W311 PolarHBondContact O-NE1 3.02Å
275	L	96.3	Very high	97	Very high	147 Å²	147	65.3 Å²	65.3	77%	0.77	36%	0.362	S	S	*	.	P	Polyproline II helix	trans	-57.3	149.7	173.2	-67.8	176.6	0	0	0	111.2
276	P	96.8	Very high	97.1	Very high	26 Å²	26	59.1 Å²	59.1	17%	0.169	34%	0.338	C	S	.	.	P	Polyproline II helix	trans	-59.3	142.4	177.4	24.5	-33.4	0	0	0	110.7	L278 L282 F308 W311	P276-L278 PolarHBondContact O-N 2.85Å; P276-L282 HydrophobicContact CB-CD2 4.16Å; P276-L282 HydrophobicContact CG-CD1 4.33Å; P276-L282 HydrophobicContact CG-CD2 4.18Å; P276-L282 HydrophobicContact CG-CG 4.21Å; P276-F308 HydrophobicContact CB-CD2 4.45Å; P276-F308 HydrophobicContact CB-CE2 4.24Å; P276-W311 HydrophobicContact CB-CD2 4.18Å; P276-W311 HydrophobicContact CB-CE3 4.18Å; P276-W311 HydrophobicContact CB-CH2 3.82Å; P276-W311 HydrophobicContact CB-CZ2 3.83Å; P276-W311 HydrophobicContact CB-CZ3 4.02Å; P276-W311 HydrophobicContact CG-CH2 4.36Å; P276-W311 HydrophobicContact CG-CZ2 4.33Å
277	P	97.1	Very high	97.2	Very high	66 Å²	66	58.9 Å²	58.9	43%	0.429	34%	0.338	S	S	.	.	S	Bend	trans	-78.1	53.9	179.3	34.8	-37.8	0	0	0	111.4	K307 F308 W311	P277-K307 HydrophobicContact CG-CB 4.44Å; P277-F308 HydrophobicContact CG-CB 4.47Å; P277-W311 HydrophobicContact CG-CB 4.1Å; P277-W311 HydrophobicContact CG-CG 4.47Å
278	L	95.7	Very high	97.2	Very high	35 Å²	35	57.8 Å²	57.8	18%	0.183	33%	0.328	C	S	.	.			trans	-134.4	147.4	-177	-65.6	179.1	0	0	0	110.7	P276 L282 F308 T325 I329	P276-L278 PolarHBondContact O-N 2.85Å; L278-L282 HydrophobicContact CD1-CD2 4.2Å; L278-F308 HydrophobicContact CD1-CD1 3.96Å; L278-F308 HydrophobicContact CD1-CD2 3.48Å; L278-F308 VanDerWaalsContact CD1-CD2 3.48Å; L278-F308 HydrophobicContact CD1-CE1 3.93Å; L278-F308 HydrophobicContact CD1-CE2 3.48Å; L278-F308 VanDerWaalsContact CD1-CE2 3.48Å; L278-F308 HydrophobicContact CD1-CG 3.73Å; L278-F308 HydrophobicContact CD1-CZ 3.71Å; L278-F308 HydrophobicContact CD2-CB 4.03Å; L278-F308 HydrophobicContact CD2-CD2 4.38Å; L278-F308 HydrophobicContact CD2-CG 4.08Å; L278-F308 HydrophobicContact CG-CB 4.32Å; L278-F308 HydrophobicContact CG-CD2 3.78Å; L278-F308 HydrophobicContact CG-CE2 4.24Å; L278-F308 HydrophobicContact CG-CG 3.99Å; L278-T325 HydrophobicContact CD1-CG2 3.56Å; L278-I329 HydrophobicContact CD1-CD1 4.16Å; L278-I329 HydrophobicContact CD2-CD1 3.62Å; L278-I329 HydrophobicContact CD2-CG1 4.43Å
279	E	93.1	Very high	97.3	Very high	206 Å²	206	54.7 Å²	54.7	96%	0.963	31%	0.311	S	S	*	.	S	Bend	trans	-82.2	-29.3	170.4	-62.6	-175.7	177.1	0	0	112.1
280	T	93.8	Very high	97.4	Very high	21 Å²	21	52.1 Å²	52.1	13%	0.129	30%	0.295	C	S	.	.	S	Bend	trans	-84.9	150.3	177.4	52.2	0	0	0	0	112.1	P330 A338	T280-P330 HydrophobicContact CG2-CG 4.47Å; T280-A338 HydrophobicContact CG2-CB 4.3Å
281	P	97.3	Very high	97.5	Very high	82 Å²	82	50 Å²	50	53%	0.532	27%	0.273	S	S	.	.	P	Polyproline II helix	trans	-59.7	161.6	172.3	-21.1	32.9	0	0	0	112.9	F283	P281-F283 HydrophobicContact CB-CE2 4.29Å; P281-F283 VanDerWaalsContact O-CD2 3.24Å; P281-F283 WeakPolarHBondContact O-CD2 3.44Å; P281-F283 VanDerWaalsContact O-CE2 3.29Å; P281-F283 WeakPolarHBondContact O-CE2 3.25Å
282	L	98.5	Very high	97.5	Very high	13 Å²	13	46.5 Å²	46.5	7%	0.068	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-76	147.2	164.7	-57.5	-177.5	0	0	0	110.4	M247 W255 P276 L278 F308 W311 T325	M247-L282 WeakPolarHBondContact CB-O 3.45Å; M247-L282 HydrophobicContact CE-CB 4.02Å; W255-L282 HydrophobicContact CB-CD1 4.43Å; W255-L282 HydrophobicContact CD2-CD1 3.57Å; W255-L282 HydrophobicContact CE3-CD1 4.02Å; W255-L282 HydrophobicContact CG-CD1 3.74Å; W255-L282 HydrophobicContact CZ2-CD1 4.26Å; P276-L282 HydrophobicContact CB-CD2 4.16Å; P276-L282 HydrophobicContact CG-CD1 4.33Å; P276-L282 HydrophobicContact CG-CD2 4.18Å; P276-L282 HydrophobicContact CG-CG 4.21Å; L278-L282 HydrophobicContact CD1-CD2 4.2Å; L282-F308 HydrophobicContact CD2-CE2 3.69Å; L282-F308 HydrophobicContact CD2-CZ 3.72Å; L282-W311 HydrophobicContact CD1-CH2 3.92Å; L282-W311 HydrophobicContact CD1-CZ3 4.38Å; L282-T325 HydrophobicContact CD2-CG2 3.71Å
283	F	98.8	Very high	97.6	Very high	8 Å²	8	43.2 Å²	43.2	4%	0.035	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	146.9	177.2	-69.8	-98.4	0	0	0	110	E245 M247 P281 Y321 A324 T325 R328 A338	E245-F283 CarbonylContact O-C 3.59Å; E245-F283 WeakPolarHBondContact O-CA 3.32Å; E245-F283 WeakPolarHBondContact O-CB 3.43Å; E245-F283 WeakPolarHBondContact O-CD1 3.37Å; M247-F283 WeakPolarHBondContact CE-O 3.31Å; P281-F283 HydrophobicContact CB-CE2 4.29Å; P281-F283 VanDerWaalsContact O-CD2 3.24Å; P281-F283 WeakPolarHBondContact O-CD2 3.44Å; P281-F283 VanDerWaalsContact O-CE2 3.29Å; P281-F283 WeakPolarHBondContact O-CE2 3.25Å; F283-Y321 VanDerWaalsContact O-CA 3.26Å; F283-Y321 WeakPolarHBondContact O-CA 3.02Å; F283-Y321 WeakPolarHBondContact O-CB 3.37Å; F283-A324 HydrophobicContact CB-CB 4.07Å; F283-T325 PolarHBondContact N-OG1 3.19Å; F283-T325 PolarHBondContact O-OG1 3.49Å; F283-R328 HydrophobicContact CD1-CG 4.05Å; F283-R328 HydrophobicContact CD2-CB 3.77Å; F283-R328 HydrophobicContact CD2-CG 3.64Å; F283-R328 HydrophobicContact CE1-CG 4.13Å; F283-R328 VanDerWaalsContact CE1-NH1 3.34Å; F283-R328 HydrophobicContact CE2-CB 3.51Å; F283-R328 HydrophobicContact CE2-CG 3.73Å; F283-R328 HydrophobicContact CG-CB 4.45Å; F283-R328 HydrophobicContact CG-CG 3.82Å; F283-R328 HydrophobicContact CZ-CB 3.99Å; F283-R328 HydrophobicContact CZ-CG 3.98Å; F283-A338 HydrophobicContact CE2-CB 4.38Å; F283-A338 HydrophobicContact CZ-CB 4.06Å; F283-A338 WeakPolarHBondContact CZ-O 3.32Å
284	S	98.9	Very high	97.6	Very high	5 Å²	5	47.5 Å²	47.5	4%	0.035	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	146.9	173.2	179.6	0	0	0	0	109.6	T244 E245 P248 K251	T244-S284 WeakPolarHBondContact CA-O 3.45Å; E245-S284 PolarHBondContact N-O 2.87Å; E245-S284 PolarHBondContact O-N 3.17Å; P248-S284 VanDerWaalsContact CD-CB 3.47Å; K251-S284 PolarHBondContact NZ-OG 2.6Å
285	G	98.6	Very high	97.8	Very high	3 Å²	3	39.8 Å²	39.8	3%	0.031	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.6	-144.9	169.9	0	0	0	0	0	111.6	E243 E320	E243-G285 WeakPolarHBondContact O-CA 3.39Å; G285-E320 CarbonylContact C-O 3.26Å; G285-E320 PolarHBondContact N-O 3.4Å; G285-E320 VanDerWaalsContact O-O 3.12Å
286	S	98.5	Very high	97.9	Very high	24 Å²	24	32.8 Å²	32.8	17%	0.168	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	167.7	179.7	81.2	0	0	0	0	112.3	E243 Y288 D319	E243-S286 WeakPolarHBondContact OE2-CB 3.47Å; S286-Y288 PolarHBondContact O-N 3.31Å; S286-Y288 PolarHBondContact OG-N 2.92Å; S286-Y288 VanDerWaalsContact OG-N 3.12Å; S286-Y288 PolarHBondContact OG-O 2.88Å; S286-D319 CarbonylContact C-O 3.57Å; S286-D319 VanDerWaalsContact C-O 3.26Å; S286-D319 VanDerWaalsContact O-O 3.09Å
287	A	98.7	Very high	98	Very high	9 Å²	9	31.7 Å²	31.7	7%	0.074	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	-13.5	171.7	0	0	0	0	0	113.4	N215 D319	N215-A287 PolarHBondContact ND2-O 3.36Å; A287-D319 WeakPolarHBondContact CA-O 3.27Å; A287-D319 HydrophobicContact CB-CB 3.85Å; A287-D319 PolarHBondContact N-O 3.49Å
288	Y	98.9	Very high	98.1	Very high	36 Å²	36	30.8 Å²	30.8	14%	0.141	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	135.7	-170	-52.8	-64.5	0	0	0	112.4	N215 C217 S286 R352	N215-Y288 VanDerWaalsContact OD1-CA 3.27Å; N215-Y288 WeakPolarHBondContact OD1-CA 3.47Å; C217-Y288 HydrophobicContact CB-CE1 4.34Å; C217-Y288 PolarHBondContact SG-OH 3.5Å; C217-Y288 VanDerWaalsContact SG-OH 3.36Å; S286-Y288 PolarHBondContact O-N 3.31Å; S286-Y288 PolarHBondContact OG-N 2.92Å; S286-Y288 VanDerWaalsContact OG-N 3.12Å; S286-Y288 PolarHBondContact OG-O 2.88Å; Y288-R352 HydrophobicContact CD2-CB 4.23Å; Y288-R352 HydrophobicContact CD2-CG 4.17Å
289	F	98.9	Very high	98.2	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	161.7	-174.5	55.4	-104.7	0	0	0	112.8	M200 L213 N215 L242 V291 W323	M200-F289 HydrophobicContact CE-CE1 3.96Å; M200-F289 HydrophobicContact CE-CE2 3.68Å; M200-F289 HydrophobicContact CE-CZ 3.2Å; L213-F289 HydrophobicContact CD2-CE2 3.99Å; L213-F289 HydrophobicContact CG-CE2 4.14Å; N215-F289 HydrophobicContact CB-CE1 4.16Å; N215-F289 HydrophobicContact CB-CE2 3.98Å; N215-F289 HydrophobicContact CB-CZ 3.68Å; N215-F289 VanDerWaalsContact CG-CE1 3.49Å; N215-F289 VanDerWaalsContact ND2-CE1 3.33Å; N215-F289 WeakPolarHBondContact ND2-CE1 3.47Å; N215-F289 PolarHBondContact OD1-N 3.17Å; L242-F289 HydrophobicContact CB-CB 3.79Å; L242-F289 HydrophobicContact CD2-CB 4.01Å; L242-F289 HydrophobicContact CG-CB 4.4Å; F289-V291 HydrophobicContact CB-CG1 4.03Å; F289-V291 HydrophobicContact CD2-CB 4.29Å; F289-V291 HydrophobicContact CD2-CG1 3.77Å; F289-V291 HydrophobicContact CD2-CG2 3.66Å; F289-V291 HydrophobicContact CE2-CG2 3.82Å; F289-V291 HydrophobicContact CG-CG1 4.12Å; F289-W323 HydrophobicContact CD1-CB 4.31Å; F289-W323 AromaticContact CD1-CD1 3.69Å; F289-W323 AromaticContact CD1-CD2 3.91Å; F289-W323 HydrophobicContact CD1-CD2 3.91Å; F289-W323 AromaticContact CD1-CE2 3.98Å; F289-W323 AromaticContact CD1-CG 3.72Å; F289-W323 HydrophobicContact CD1-CG 3.72Å; F289-W323 AromaticContact CD1-NE1 3.82Å; F289-W323 AromaticContact CE1-CD1 3.98Å; F289-W323 AromaticContact CE1-CD2 3.85Å; F289-W323 HydrophobicContact CE1-CD2 3.85Å; F289-W323 AromaticContact CE1-CE2 3.53Å; F289-W323 HydrophobicContact CE1-CE3 4.48Å; F289-W323 HydrophobicContact CE1-CG 4.12Å; F289-W323 AromaticContact CE1-CZ2 3.9Å; F289-W323 HydrophobicContact CE1-CZ2 3.9Å; F289-W323 AromaticContact CE1-NE1 3.61Å
290	V	98.9	Very high	98.5	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	-125.4	110.3	166.8	177.7	0	0	0	0	106.7	Y212 I214 L233 L236 N240 S241 V350 A351 L397	Y212-V290 HydrophobicContact CD1-CG1 3.79Å; Y212-V290 HydrophobicContact CE1-CG1 4.38Å; Y212-V290 HydrophobicContact CG-CG1 4.5Å; I214-V290 HydrophobicContact CG1-CG1 4.36Å; I214-V290 HydrophobicContact CG1-CG2 4.24Å; L233-V290 HydrophobicContact CD2-CG1 3.24Å; L236-V290 HydrophobicContact CD1-CG1 4.16Å; N240-V290 WeakPolarHBondContact CA-O 3.41Å; N240-V290 WeakPolarHBondContact CB-O 3.24Å; S241-V290 PolarHBondContact N-O 3.47Å; S241-V290 WeakPolarHBondContact O-CB 3.2Å; S241-V290 PolarHBondContact O-N 3.21Å; V290-V350 HydrophobicContact CG2-CG2 4.41Å; V290-A351 HydrophobicContact CG2-CB 4.03Å; V290-L397 HydrophobicContact CG2-CD1 3.74Å
291	V	98.9	Very high	98.7	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	147.2	-172	-62.5	0	0	0	0	111.8	Y212 L213 N240 L242 F289 Y295 V296	Y212-V291 CarbonylContact C-O 3.54Å; Y212-V291 VanDerWaalsContact CA-O 3.23Å; Y212-V291 WeakPolarHBondContact CA-O 3.48Å; Y212-V291 VanDerWaalsContact CD1-C 3.42Å; Y212-V291 WeakPolarHBondContact CD1-O 3.35Å; L213-V291 HydrophobicContact CB-CG2 4.01Å; L213-V291 HydrophobicContact CD2-CG2 4.44Å; L213-V291 PolarHBondContact N-O 3.01Å; L213-V291 PolarHBondContact O-N 2.9Å; N240-V291 HydrophobicContact CB-CB 4.5Å; N240-V291 HydrophobicContact CB-CG1 4.14Å; N240-V291 WeakPolarHBondContact OD1-CA 3.13Å; L242-V291 HydrophobicContact CD2-CG1 3.94Å; F289-V291 HydrophobicContact CB-CG1 4.03Å; F289-V291 HydrophobicContact CD2-CB 4.29Å; F289-V291 HydrophobicContact CD2-CG1 3.77Å; F289-V291 HydrophobicContact CD2-CG2 3.66Å; F289-V291 HydrophobicContact CE2-CG2 3.82Å; F289-V291 HydrophobicContact CG-CG1 4.12Å; V291-Y295 HydrophobicContact CB-CD1 3.47Å; V291-Y295 VanDerWaalsContact CB-CD1 3.47Å; V291-Y295 HydrophobicContact CB-CE1 3.99Å; V291-Y295 HydrophobicContact CB-CG 3.83Å; V291-Y295 HydrophobicContact CG1-CD1 3.73Å; V291-Y295 HydrophobicContact CG1-CE1 3.73Å; V291-Y295 HydrophobicContact CG1-CE2 4.49Å; V291-Y295 HydrophobicContact CG1-CG 4.14Å; V291-Y295 HydrophobicContact CG2-CD1 3.62Å; V291-Y295 HydrophobicContact CG2-CE1 4.07Å; V291-Y295 HydrophobicContact CG2-CG 4.42Å; V291-V296 HydrophobicContact CG2-CG2 3.89Å
292	S	98.9	Very high	98.8	Very high	2 Å²	2	24.6 Å²	24.6	1%	0.014	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	161.8	177.9	63.7	0	0	0	0	112.1	K211 N240 E294 Y295 V296	K211-S292 WeakPolarHBondContact O-CA 3.41Å; N240-S292 PolarHBondContact OD1-N 3.37Å; N240-S292 PolarHBondContact OD1-OG 3.46Å; S292-E294 VanDerWaalsContact C-N 3.25Å; S292-E294 WeakPolarHBondContact CB-OE2 3.3Å; S292-E294 PolarHBondContact O-N 3.46Å; S292-Y295 WeakPolarHBondContact O-CB 3.42Å; S292-Y295 PolarHBondContact O-N 3.43Å; S292-Y295 WeakPolarHBondContact OG-CB 3.02Å; S292-Y295 PolarHBondContact OG-N 3.07Å; S292-Y295 VanDerWaalsContact OG-N 3.12Å; S292-V296 PolarHBondContact O-N 3.13Å
293	R	98.8	Very high	98.7	Very high	36 Å²	36	30.6 Å²	30.6	14%	0.136	15%	0.147	C	C	.	.	H	α-helix	trans	-62.4	-36.5	172.9	-176.5	168.5	-175.5	-64.8	-9.1	112.1	Y204 S207 W210 K211 Y295 V296 G297	Y204-R293 HydrophobicContact CD2-CG 4.11Å; Y204-R293 HydrophobicContact CE2-CG 4.1Å; Y204-R293 VanDerWaalsContact CE2-CZ 3.46Å; Y204-R293 PolarHBondContact O-NH2 3.34Å; S207-R293 PolarHBondContact O-NE 3.1Å; S207-R293 PolarHBondContact O-NH2 3.27Å; W210-R293 HydrophobicContact CD2-CB 4.24Å; W210-R293 HydrophobicContact CD2-CG 4.06Å; W210-R293 HydrophobicContact CE3-CB 3.6Å; W210-R293 HydrophobicContact CE3-CG 3.89Å; W210-R293 HydrophobicContact CH2-CB 3.78Å; W210-R293 HydrophobicContact CH2-CG 3.54Å; W210-R293 HydrophobicContact CZ2-CB 4.39Å; W210-R293 HydrophobicContact CZ2-CG 3.72Å; W210-R293 HydrophobicContact CZ3-CB 3.35Å; W210-R293 HydrophobicContact CZ3-CG 3.63Å; W210-R293 WeakPolarHBondContact O-CB 3.34Å; W210-R293 WeakPolarHBondContact O-CD 3.48Å; K211-R293 PolarHBondContact O-N 3.31Å; R293-Y295 VanDerWaalsContact C-N 3.34Å; R293-V296 PolarHBondContact O-N 2.93Å; R293-G297 PolarHBondContact O-N 3.39Å
294	E	98.8	Very high	98.7	Very high	117 Å²	117	34.8 Å²	34.8	55%	0.547	17%	0.17	S	C	.	.	H	α-helix	trans	-62.8	-41.7	177.2	-65.7	71.9	-160.8	0	0	111	S292 V296 G297 Y298 P333	S292-E294 VanDerWaalsContact C-N 3.25Å; S292-E294 WeakPolarHBondContact CB-OE2 3.3Å; S292-E294 PolarHBondContact O-N 3.46Å; E294-V296 VanDerWaalsContact C-N 3.35Å; E294-V296 PolarHBondContact O-N 2.91Å; E294-G297 PolarHBondContact O-N 3.05Å; E294-Y298 WeakPolarHBondContact O-CB 3.23Å; E294-Y298 PolarHBondContact O-N 3.37Å; E294-P333 HydrophobicContact CB-CB 3.65Å; E294-P333 HydrophobicContact CB-CG 4.08Å
295	Y	98.9	Very high	98.7	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-57.3	-48.2	172.4	174.2	-85	0	0	0	111.2	N240 V291 S292 R293 G297 Y298 V299 I326 V332	N240-Y295 WeakPolarHBondContact ND2-CD2 3.39Å; V291-Y295 HydrophobicContact CB-CD1 3.47Å; V291-Y295 VanDerWaalsContact CB-CD1 3.47Å; V291-Y295 HydrophobicContact CB-CE1 3.99Å; V291-Y295 HydrophobicContact CB-CG 3.83Å; V291-Y295 HydrophobicContact CG1-CD1 3.73Å; V291-Y295 HydrophobicContact CG1-CE1 3.73Å; V291-Y295 HydrophobicContact CG1-CE2 4.49Å; V291-Y295 HydrophobicContact CG1-CG 4.14Å; V291-Y295 HydrophobicContact CG2-CD1 3.62Å; V291-Y295 HydrophobicContact CG2-CE1 4.07Å; V291-Y295 HydrophobicContact CG2-CG 4.42Å; S292-Y295 WeakPolarHBondContact O-CB 3.42Å; S292-Y295 PolarHBondContact O-N 3.43Å; S292-Y295 WeakPolarHBondContact OG-CB 3.02Å; S292-Y295 PolarHBondContact OG-N 3.07Å; S292-Y295 VanDerWaalsContact OG-N 3.12Å; R293-Y295 VanDerWaalsContact C-N 3.34Å; Y295-G297 PolarHBondContact O-N 3.18Å; Y295-Y298 PolarHBondContact O-N 3.16Å; Y295-V299 HydrophobicContact CD1-CG2 3.94Å; Y295-V299 HydrophobicContact CE1-CG2 3.51Å; Y295-V299 HydrophobicContact CE2-CG2 4.17Å; Y295-V299 HydrophobicContact CG-CG2 4.42Å; Y295-V299 WeakPolarHBondContact O-CG2 3.28Å; Y295-V299 PolarHBondContact O-N 2.97Å; Y295-I326 HydrophobicContact CE2-CG2 3.65Å; Y295-I326 WeakPolarHBondContact OH-CG2 3.05Å; Y295-V332 HydrophobicContact CD2-CG1 3.47Å; Y295-V332 VanDerWaalsContact CD2-CG1 3.47Å; Y295-V332 HydrophobicContact CE2-CG1 3.66Å
296	V	98.9	Very high	98.7	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-60.7	-46.2	179.8	175	0	0	0	0	111	M200 Y204 W210 L213 V291 S292 R293 E294 Y298 V299 L300	M200-V296 HydrophobicContact CB-CG1 3.84Å; M200-V296 HydrophobicContact CG-CG1 4.04Å; M200-V296 HydrophobicContact CG-CG2 4.43Å; M200-V296 HydrophobicContact SD-CG1 4.36Å; M200-V296 HydrophobicContact SD-CG2 4.48Å; Y204-V296 HydrophobicContact CD2-CB 4.49Å; Y204-V296 HydrophobicContact CD2-CG1 4.16Å; Y204-V296 HydrophobicContact CG-CG1 4.41Å; W210-V296 HydrophobicContact CH2-CB 3.97Å; W210-V296 HydrophobicContact CH2-CG1 4.2Å; W210-V296 HydrophobicContact CH2-CG2 3.93Å; W210-V296 HydrophobicContact CZ3-CG2 4.43Å; L213-V296 HydrophobicContact CB-CG2 4.11Å; L213-V296 HydrophobicContact CD2-CG2 3.76Å; V291-V296 HydrophobicContact CG2-CG2 3.89Å; S292-V296 PolarHBondContact O-N 3.13Å; R293-V296 PolarHBondContact O-N 2.93Å; E294-V296 VanDerWaalsContact C-N 3.35Å; E294-V296 PolarHBondContact O-N 2.91Å; V296-Y298 VanDerWaalsContact C-N 3.33Å; V296-Y298 PolarHBondContact O-N 2.8Å; V296-V299 PolarHBondContact O-N 3.5Å; V296-L300 HydrophobicContact CG1-CD1 3.8Å; V296-L300 HydrophobicContact CG1-CG 4.32Å; V296-L300 WeakPolarHBondContact O-CB 3.29Å; V296-L300 VanDerWaalsContact O-CG 3.23Å; V296-L300 WeakPolarHBondContact O-CG 3.31Å; V296-L300 PolarHBondContact O-N 2.98Å
297	G	98.8	Very high	98.7	Very high	3 Å²	3	41.2 Å²	41.2	3%	0.031	19%	0.194	C	C	.	.	H	α-helix	trans	-57.8	-45.1	175.6	0	0	0	0	0	112.5	Y204 R293 E294 Y295 L300 Q301	Y204-G297 VanDerWaalsContact CE2-CA 3.4Å; Y204-G297 VanDerWaalsContact CZ-CA 3.48Å; R293-G297 PolarHBondContact O-N 3.39Å; E294-G297 PolarHBondContact O-N 3.05Å; Y295-G297 PolarHBondContact O-N 3.18Å; G297-L300 PolarHBondContact O-N 2.94Å; G297-Q301 WeakPolarHBondContact O-CB 3.31Å; G297-Q301 VanDerWaalsContact O-CG 3.26Å; G297-Q301 WeakPolarHBondContact O-CG 3.25Å; G297-Q301 PolarHBondContact O-N 3.43Å
298	Y	98.8	Very high	98.7	Very high	47 Å²	47	40.8 Å²	40.8	18%	0.184	19%	0.191	C	C	.	.	H	α-helix	trans	-63.6	-47.4	178.3	-167.2	-81.8	0	0	0	111.9	E294 Y295 V296 L300 Q301 N302 I305 V332 P333	E294-Y298 WeakPolarHBondContact O-CB 3.23Å; E294-Y298 PolarHBondContact O-N 3.37Å; Y295-Y298 PolarHBondContact O-N 3.16Å; V296-Y298 VanDerWaalsContact C-N 3.33Å; V296-Y298 PolarHBondContact O-N 2.8Å; Y298-L300 VanDerWaalsContact C-N 3.29Å; Y298-L300 PolarHBondContact O-N 3.31Å; Y298-Q301 PolarHBondContact O-N 3.4Å; Y298-N302 HydrophobicContact CD1-CB 3.74Å; Y298-N302 HydrophobicContact CE1-CB 3.55Å; Y298-N302 VanDerWaalsContact CE1-CG 3.48Å; Y298-N302 HydrophobicContact CG-CB 4.3Å; Y298-N302 WeakPolarHBondContact O-CB 3.31Å; Y298-N302 PolarHBondContact O-N 3.36Å; Y298-N302 PolarHBondContact OH-ND2 2.05Å; Y298-N302 VanDerWaalsContact OH-ND2 3.08Å; Y298-I305 HydrophobicContact CD1-CG1 4.05Å; Y298-I305 HydrophobicContact CE1-CD1 4.39Å; Y298-I305 HydrophobicContact CE1-CG1 3.8Å; Y298-V332 HydrophobicContact CD1-CG2 3.97Å; Y298-V332 HydrophobicContact CE1-CB 4.5Å; Y298-V332 HydrophobicContact CE1-CG2 3.64Å; Y298-P333 HydrophobicContact CD2-CG 4.12Å; Y298-P333 HydrophobicContact CG-CG 4.27Å
299	V	98.8	Very high	98.7	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-58.7	-41.9	177.6	167.9	0	0	0	0	111.4	L197 Y295 V296 Q301 I305 Q306 M309 W323 I326	L197-V299 HydrophobicContact CD2-CG1 4.16Å; Y295-V299 HydrophobicContact CD1-CG2 3.94Å; Y295-V299 HydrophobicContact CE1-CG2 3.51Å; Y295-V299 HydrophobicContact CE2-CG2 4.17Å; Y295-V299 HydrophobicContact CG-CG2 4.42Å; Y295-V299 WeakPolarHBondContact O-CG2 3.28Å; Y295-V299 PolarHBondContact O-N 2.97Å; V296-V299 PolarHBondContact O-N 3.5Å; V299-Q301 VanDerWaalsContact C-N 3.3Å; V299-Q301 PolarHBondContact O-N 2.85Å; V299-I305 HydrophobicContact CB-CG2 4.41Å; V299-I305 HydrophobicContact CG1-CG2 4.17Å; V299-I305 HydrophobicContact CG2-CG2 4.35Å; V299-Q306 PolarHBondContact O-NE2 3.17Å; V299-M309 HydrophobicContact CG1-CE 4.29Å; V299-M309 HydrophobicContact CG1-SD 4.14Å; V299-W323 HydrophobicContact CG1-CZ3 4.43Å; V299-I326 HydrophobicContact CG2-CG2 3.94Å
300	L	98.8	Very high	98.6	Very high	44 Å²	44	44.8 Å²	44.8	23%	0.23	21%	0.211	C	C	.	.	H	α-helix	trans	-72.4	-18.9	-178.4	-69.2	174.8	0	0	0	114.2	M200 K201 Y204 V296 G297 Y298 Q306	M200-L300 HydrophobicContact CB-CD1 4.47Å; M200-L300 HydrophobicContact CB-CD2 4.37Å; K201-L300 HydrophobicContact CB-CD2 4.38Å; Y204-L300 HydrophobicContact CD1-CD1 4.21Å; Y204-L300 HydrophobicContact CG-CD1 4.09Å; V296-L300 HydrophobicContact CG1-CD1 3.8Å; V296-L300 HydrophobicContact CG1-CG 4.32Å; V296-L300 WeakPolarHBondContact O-CB 3.29Å; V296-L300 VanDerWaalsContact O-CG 3.23Å; V296-L300 WeakPolarHBondContact O-CG 3.31Å; V296-L300 PolarHBondContact O-N 2.98Å; G297-L300 PolarHBondContact O-N 2.94Å; Y298-L300 VanDerWaalsContact C-N 3.29Å; Y298-L300 PolarHBondContact O-N 3.31Å; L300-Q306 PolarHBondContact O-NE2 3.25Å
301	Q	98.5	Very high	98.6	Very high	133 Å²	133	46.1 Å²	46.1	62%	0.621	22%	0.216	S	C	*	.	H	α-helix	trans	-122.2	-27.5	-168	-63.4	176.3	-1.4	0	0	114.3	G297 Y298 V299 E303	G297-Q301 WeakPolarHBondContact O-CB 3.31Å; G297-Q301 VanDerWaalsContact O-CG 3.26Å; G297-Q301 WeakPolarHBondContact O-CG 3.25Å; G297-Q301 PolarHBondContact O-N 3.43Å; Y298-Q301 PolarHBondContact O-N 3.4Å; V299-Q301 VanDerWaalsContact C-N 3.3Å; V299-Q301 PolarHBondContact O-N 2.85Å; Q301-E303 PolarHBondContact O-N 3.46Å
302	N	98.6	Very high	98.6	Very high	37 Å²	37	46.1 Å²	46.1	20%	0.198	22%	0.216	C	C	.	.			trans	-75	123.4	-174.1	-177.8	-81.8	0	0	0	112.1	Y298 N304 I305 Q306	Y298-N302 HydrophobicContact CD1-CB 3.74Å; Y298-N302 HydrophobicContact CE1-CB 3.55Å; Y298-N302 VanDerWaalsContact CE1-CG 3.48Å; Y298-N302 HydrophobicContact CG-CB 4.3Å; Y298-N302 WeakPolarHBondContact O-CB 3.31Å; Y298-N302 PolarHBondContact O-N 3.36Å; Y298-N302 PolarHBondContact OH-ND2 2.05Å; Y298-N302 VanDerWaalsContact OH-ND2 3.08Å; N302-N304 VanDerWaalsContact C-N 3.32Å; N302-N304 PolarHBondContact O-N 3.18Å; N302-N304 WeakPolarHBondContact OD1-CB 2.87Å; N302-N304 PolarHBondContact OD1-N 3.3Å; N302-I305 HydrophobicContact CB-CB 4.27Å; N302-I305 HydrophobicContact CB-CG1 3.95Å; N302-I305 PolarHBondContact O-N 3.26Å; N302-I305 PolarHBondContact OD1-N 3.19Å; N302-I305 VanDerWaalsContact OD1-N 3.14Å; N302-Q306 WeakPolarHBondContact O-CG 3.45Å; N302-Q306 PolarHBondContact O-N 3.29Å
303	E	98.1	Very high	98.6	Very high	139 Å²	139	50.7 Å²	50.7	65%	0.65	24%	0.237	S	C	*	.	H	α-helix	trans	-60	-35.8	-176.1	-64.5	-173.7	-178.4	0	0	114.2	Q301 Q306 K307	Q301-E303 PolarHBondContact O-N 3.46Å; E303-Q306 PolarHBondContact O-N 2.75Å; E303-K307 WeakPolarHBondContact O-CG 3.07Å; E303-K307 PolarHBondContact O-N 2.99Å
304	N	97.9	Very high	98.6	Very high	96 Å²	96	50.1 Å²	50.1	51%	0.513	24%	0.237	S	C	.	.	H	α-helix	trans	-70.4	-38.9	179.9	-66.2	-23.2	0	0	0	110.7	N302 K307 F308	N302-N304 VanDerWaalsContact C-N 3.32Å; N302-N304 PolarHBondContact O-N 3.18Å; N302-N304 WeakPolarHBondContact OD1-CB 2.87Å; N302-N304 PolarHBondContact OD1-N 3.3Å; N304-K307 PolarHBondContact O-N 3.08Å; N304-F308 WeakPolarHBondContact O-CB 3.38Å; N304-F308 PolarHBondContact O-N 2.99Å
305	I	98.5	Very high	98.6	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.005	21%	0.211	C	C	.	.	H	α-helix	trans	-65.3	-41.1	173.5	-55.8	-55.7	0	0	0	110.8	Y298 V299 N302 F308 M309 I326 I329 V332	Y298-I305 HydrophobicContact CD1-CG1 4.05Å; Y298-I305 HydrophobicContact CE1-CD1 4.39Å; Y298-I305 HydrophobicContact CE1-CG1 3.8Å; V299-I305 HydrophobicContact CB-CG2 4.41Å; V299-I305 HydrophobicContact CG1-CG2 4.17Å; V299-I305 HydrophobicContact CG2-CG2 4.35Å; N302-I305 HydrophobicContact CB-CB 4.27Å; N302-I305 HydrophobicContact CB-CG1 3.95Å; N302-I305 PolarHBondContact O-N 3.26Å; N302-I305 PolarHBondContact OD1-N 3.19Å; N302-I305 VanDerWaalsContact OD1-N 3.14Å; I305-F308 PolarHBondContact O-N 3.03Å; I305-M309 HydrophobicContact CG2-CE 4.12Å; I305-M309 HydrophobicContact CG2-CG 4.38Å; I305-M309 HydrophobicContact CG2-SD 4.41Å; I305-M309 WeakPolarHBondContact O-CB 3.22Å; I305-M309 WeakPolarHBondContact O-CG 3.14Å; I305-M309 PolarHBondContact O-N 3.41Å; I305-I326 HydrophobicContact CD1-CG1 4.36Å; I305-I326 HydrophobicContact CD1-CG2 4.17Å; I305-I326 HydrophobicContact CG2-CD1 3.83Å; I305-I326 HydrophobicContact CG2-CG1 4.37Å; I305-I329 HydrophobicContact CD1-CD1 3.53Å; I305-V332 HydrophobicContact CD1-CG2 4.24Å
306	Q	98.5	Very high	98.6	Very high	63 Å²	63	47.3 Å²	47.3	29%	0.294	22%	0.222	S	C	.	.	H	α-helix	trans	-60.3	-47.9	175.1	-64	-60.3	-40.7	0	0	111.7	V299 L300 N302 E303 F308 M309 E310	V299-Q306 PolarHBondContact O-NE2 3.17Å; L300-Q306 PolarHBondContact O-NE2 3.25Å; N302-Q306 WeakPolarHBondContact O-CG 3.45Å; N302-Q306 PolarHBondContact O-N 3.29Å; E303-Q306 PolarHBondContact O-N 2.75Å; Q306-F308 VanDerWaalsContact C-N 3.29Å; Q306-F308 PolarHBondContact O-N 3.11Å; Q306-M309 VanDerWaalsContact CD-CE 3.44Å; Q306-M309 HydrophobicContact CG-CE 4.48Å; Q306-M309 PolarHBondContact O-N 2.9Å; Q306-M309 VanDerWaalsContact O-N 3.16Å; Q306-E310 WeakPolarHBondContact O-CG 3.24Å; Q306-E310 PolarHBondContact O-N 3.3Å
307	K	98.4	Very high	98.6	Very high	102 Å²	102	47.5 Å²	47.5	44%	0.443	22%	0.223	S	C	.	.	H	α-helix	trans	-58.9	-39.6	175.3	-72.6	169.9	-173.5	163.9	0	112.4	P277 E303 N304 W311	P277-K307 HydrophobicContact CG-CB 4.44Å; E303-K307 WeakPolarHBondContact O-CG 3.07Å; E303-K307 PolarHBondContact O-N 2.99Å; N304-K307 PolarHBondContact O-N 3.08Å; K307-W311 WeakPolarHBondContact O-CB 3.18Å; K307-W311 PolarHBondContact O-N 2.64Å
308	F	98.6	Very high	98.6	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-67.3	-41.9	176.2	176.2	-126.1	0	0	0	112.3	P276 P277 L278 L282 N304 I305 Q306 W311 A312 Y321 L322 T325 I326	P276-F308 HydrophobicContact CB-CD2 4.45Å; P276-F308 HydrophobicContact CB-CE2 4.24Å; P277-F308 HydrophobicContact CG-CB 4.47Å; L278-F308 HydrophobicContact CD1-CD1 3.96Å; L278-F308 HydrophobicContact CD1-CD2 3.48Å; L278-F308 VanDerWaalsContact CD1-CD2 3.48Å; L278-F308 HydrophobicContact CD1-CE1 3.93Å; L278-F308 HydrophobicContact CD1-CE2 3.48Å; L278-F308 VanDerWaalsContact CD1-CE2 3.48Å; L278-F308 HydrophobicContact CD1-CG 3.73Å; L278-F308 HydrophobicContact CD1-CZ 3.71Å; L278-F308 HydrophobicContact CD2-CB 4.03Å; L278-F308 HydrophobicContact CD2-CD2 4.38Å; L278-F308 HydrophobicContact CD2-CG 4.08Å; L278-F308 HydrophobicContact CG-CB 4.32Å; L278-F308 HydrophobicContact CG-CD2 3.78Å; L278-F308 HydrophobicContact CG-CE2 4.24Å; L278-F308 HydrophobicContact CG-CG 3.99Å; L282-F308 HydrophobicContact CD2-CE2 3.69Å; L282-F308 HydrophobicContact CD2-CZ 3.72Å; N304-F308 WeakPolarHBondContact O-CB 3.38Å; N304-F308 PolarHBondContact O-N 2.99Å; I305-F308 PolarHBondContact O-N 3.03Å; Q306-F308 VanDerWaalsContact C-N 3.29Å; Q306-F308 PolarHBondContact O-N 3.11Å; F308-W311 AromaticContact CD2-CE3 3.86Å; F308-W311 HydrophobicContact CD2-CE3 3.86Å; F308-W311 HydrophobicContact CD2-CZ3 4.32Å; F308-W311 AromaticContact CE2-CE3 3.65Å; F308-W311 HydrophobicContact CE2-CE3 3.65Å; F308-W311 AromaticContact CE2-CZ3 3.64Å; F308-W311 HydrophobicContact CE2-CZ3 3.64Å; F308-W311 WeakPolarHBondContact O-CB 3.45Å; F308-W311 PolarHBondContact O-N 3.19Å; F308-A312 WeakPolarHBondContact O-CB 3.44Å; F308-A312 PolarHBondContact O-N 2.72Å; F308-Y321 HydrophobicContact CE2-CE2 4.49Å; F308-Y321 HydrophobicContact CZ-CD2 4.35Å; F308-Y321 HydrophobicContact CZ-CE2 4.02Å; F308-L322 HydrophobicContact CD1-CD1 3.82Å; F308-L322 HydrophobicContact CE1-CD1 3.47Å; F308-L322 VanDerWaalsContact CE1-CD1 3.47Å; F308-L322 HydrophobicContact CE1-CG 4.39Å; F308-L322 HydrophobicContact CZ-CD1 4.08Å; F308-T325 HydrophobicContact CE1-CG2 3.91Å; F308-T325 HydrophobicContact CZ-CG2 3.76Å; F308-I326 HydrophobicContact CD1-CD1 4.5Å; F308-I326 HydrophobicContact CD1-CG1 4.06Å; F308-I326 HydrophobicContact CE1-CG1 4.06Å
309	M	98.7	Very high	98.5	Very high	6 Å²	6	46 Å²	46	3%	0.03	22%	0.218	C	C	.	.	H	α-helix	trans	-63.4	-43.8	175.3	-75.8	-167.3	-59	0	0	111.9	W190 L197 V299 I305 Q306 W311 A312 Q313 L322	W190-M309 HydrophobicContact CH2-CB 3.6Å; W190-M309 HydrophobicContact CH2-CG 3.84Å; W190-M309 HydrophobicContact CH2-SD 4.16Å; W190-M309 HydrophobicContact CZ2-CB 4.26Å; W190-M309 HydrophobicContact CZ3-CB 4.4Å; L197-M309 HydrophobicContact CD1-SD 3.83Å; L197-M309 HydrophobicContact CD2-SD 3.95Å; V299-M309 HydrophobicContact CG1-CE 4.29Å; V299-M309 HydrophobicContact CG1-SD 4.14Å; I305-M309 HydrophobicContact CG2-CE 4.12Å; I305-M309 HydrophobicContact CG2-CG 4.38Å; I305-M309 HydrophobicContact CG2-SD 4.41Å; I305-M309 WeakPolarHBondContact O-CB 3.22Å; I305-M309 WeakPolarHBondContact O-CG 3.14Å; I305-M309 PolarHBondContact O-N 3.41Å; Q306-M309 VanDerWaalsContact CD-CE 3.44Å; Q306-M309 HydrophobicContact CG-CE 4.48Å; Q306-M309 PolarHBondContact O-N 2.9Å; Q306-M309 VanDerWaalsContact O-N 3.16Å; M309-W311 VanDerWaalsContact C-N 3.33Å; M309-W311 PolarHBondContact O-N 3.17Å; M309-A312 WeakPolarHBondContact O-CB 3.32Å; M309-A312 PolarHBondContact O-N 2.94Å; M309-Q313 WeakPolarHBondContact O-CG 3.35Å; M309-Q313 PolarHBondContact O-N 3.27Å; M309-L322 HydrophobicContact CG-CD1 4.05Å; M309-L322 HydrophobicContact CG-CD2 4.25Å
310	E	98.6	Very high	98.5	Very high	115 Å²	115	48.2 Å²	48.2	54%	0.537	23%	0.228	S	C	.	.	H	α-helix	trans	-57.4	-45.9	172.7	-73.6	172.6	-171.8	0	0	111.6	Q306 A312 Q313	Q306-E310 WeakPolarHBondContact O-CG 3.24Å; Q306-E310 PolarHBondContact O-N 3.3Å; E310-A312 PolarHBondContact O-N 2.73Å; E310-Q313 WeakPolarHBondContact O-CG 3.2Å; E310-Q313 PolarHBondContact O-N 2.86Å
311	W	98.7	Very high	98.6	Very high	27 Å²	27	46.4 Å²	46.4	10%	0.102	22%	0.218	C	C	.	.	H	α-helix	trans	-60.9	-31.1	175	171.9	93.6	0	0	0	112.9	W255 K273 M274 P276 P277 L282 K307 F308 M309 Y321	W255-W311 HydrophobicContact CB-CH2 3.82Å; W255-W311 HydrophobicContact CE3-CH2 4.34Å; W255-W311 HydrophobicContact CE3-CZ2 4.45Å; W255-W311 HydrophobicContact CG-CH2 4.42Å; K273-W311 WeakPolarHBondContact CE-O 3.33Å; K273-W311 PolarHBondContact NZ-O 2.87Å; M274-W311 PolarHBondContact O-NE1 3.02Å; P276-W311 HydrophobicContact CB-CD2 4.18Å; P276-W311 HydrophobicContact CB-CE3 4.18Å; P276-W311 HydrophobicContact CB-CH2 3.82Å; P276-W311 HydrophobicContact CB-CZ2 3.83Å; P276-W311 HydrophobicContact CB-CZ3 4.02Å; P276-W311 HydrophobicContact CG-CH2 4.36Å; P276-W311 HydrophobicContact CG-CZ2 4.33Å; P277-W311 HydrophobicContact CG-CB 4.1Å; P277-W311 HydrophobicContact CG-CG 4.47Å; L282-W311 HydrophobicContact CD1-CH2 3.92Å; L282-W311 HydrophobicContact CD1-CZ3 4.38Å; K307-W311 WeakPolarHBondContact O-CB 3.18Å; K307-W311 PolarHBondContact O-N 2.64Å; F308-W311 AromaticContact CD2-CE3 3.86Å; F308-W311 HydrophobicContact CD2-CE3 3.86Å; F308-W311 HydrophobicContact CD2-CZ3 4.32Å; F308-W311 AromaticContact CE2-CE3 3.65Å; F308-W311 HydrophobicContact CE2-CE3 3.65Å; F308-W311 AromaticContact CE2-CZ3 3.64Å; F308-W311 HydrophobicContact CE2-CZ3 3.64Å; F308-W311 WeakPolarHBondContact O-CB 3.45Å; F308-W311 PolarHBondContact O-N 3.19Å; M309-W311 VanDerWaalsContact C-N 3.33Å; M309-W311 PolarHBondContact O-N 3.17Å; W311-Y321 HydrophobicContact CZ3-CE2 4.04Å
312	A	98.6	Very high	98.6	Very high	0 Å²	0	40 Å²	40	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-80.5	-11.4	-177.6	0	0	0	0	0	114.2	W190 F308 M309 E310 D314 T315 P318 Y321 L322	W190-A312 HydrophobicContact CE3-CB 4.36Å; W190-A312 HydrophobicContact CZ3-CB 4.03Å; F308-A312 WeakPolarHBondContact O-CB 3.44Å; F308-A312 PolarHBondContact O-N 2.72Å; M309-A312 WeakPolarHBondContact O-CB 3.32Å; M309-A312 PolarHBondContact O-N 2.94Å; E310-A312 PolarHBondContact O-N 2.73Å; A312-D314 VanDerWaalsContact C-N 3.33Å; A312-D314 PolarHBondContact O-N 3.46Å; A312-T315 PolarHBondContact O-N 3.48Å; A312-T315 PolarHBondContact O-OG1 2.92Å; A312-P318 HydrophobicContact CB-CB 4.37Å; A312-Y321 HydrophobicContact CB-CE2 4.44Å; A312-Y321 WeakPolarHBondContact CB-OH 3.28Å; A312-L322 HydrophobicContact CB-CD1 3.98Å
313	Q	98.7	Very high	98.6	Very high	98 Å²	98	38.3 Å²	38.3	46%	0.458	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-35.8	-170.4	-69.5	-177.2	-1.1	0	0	114.6	W190 M309 E310	W190-Q313 HydrophobicContact CB-CB 4.41Å; W190-Q313 VanDerWaalsContact CB-O 3.29Å; W190-Q313 WeakPolarHBondContact CB-O 3.25Å; W190-Q313 HydrophobicContact CD2-CB 4.32Å; W190-Q313 HydrophobicContact CD2-CG 3.77Å; W190-Q313 HydrophobicContact CE3-CG 4.28Å; W190-Q313 HydrophobicContact CG-CB 4.13Å; W190-Q313 HydrophobicContact CG-CG 3.91Å; W190-Q313 HydrophobicContact CZ2-CG 4.42Å; M309-Q313 WeakPolarHBondContact O-CG 3.35Å; M309-Q313 PolarHBondContact O-N 3.27Å; E310-Q313 WeakPolarHBondContact O-CG 3.2Å; E310-Q313 PolarHBondContact O-N 2.86Å
314	D	98.3	Very high	98.6	Very high	25 Å²	25	31.8 Å²	31.8	13%	0.134	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.9	35.5	-177.7	63.6	-30.4	0	0	0	111.9	R258 Y259 K273 A312	R258-D314 CarbonylContact C-O 3.55Å; R258-D314 WeakPolarHBondContact CA-O 3.41Å; R258-D314 HydrophobicContact CG-CB 4.13Å; R258-D314 WeakPolarHBondContact CG-OD2 3.49Å; R258-D314 IonicContact CZ-OD2 3.08Å; R258-D314 IonicContact NE-OD2 2.69Å; R258-D314 PolarHBondContact NE-OD2 2.87Å; R258-D314 VanDerWaalsContact NE-OD2 3.07Å; R258-D314 IonicContact NH1-OD2 3.78Å; R258-D314 IonicContact NH2-OD2 3.12Å; R258-D314 PolarHBondContact NH2-OD2 2.99Å; R258-D314 VanDerWaalsContact NH2-OD2 3.12Å; Y259-D314 PolarHBondContact N-O 2.73Å; K273-D314 IonicContact NZ-OD1 2.99Å; K273-D314 PolarHBondContact NZ-OD1 2.98Å; K273-D314 IonicContact NZ-OD2 2.71Å; K273-D314 PolarHBondContact NZ-OD2 2.85Å; A312-D314 VanDerWaalsContact C-N 3.33Å; A312-D314 PolarHBondContact O-N 3.46Å
315	T	98.8	Very high	98.7	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	12%	0.124	C	C	.	.	S	Bend	trans	-110.6	169.6	173.5	65.8	0	0	0	0	112	R254 W255 K273 A312 Y321	R254-T315 WeakPolarHBondContact O-CB 3.32Å; W255-T315 HydrophobicContact CB-CG2 4.14Å; K273-T315 HydrophobicContact CD-CG2 3.98Å; K273-T315 VanDerWaalsContact CE-CG2 3.46Å; A312-T315 PolarHBondContact O-N 3.48Å; A312-T315 PolarHBondContact O-OG1 2.92Å; T315-Y321 WeakPolarHBondContact CB-OH 3.38Å; T315-Y321 VanDerWaalsContact CG2-OH 3.29Å; T315-Y321 WeakPolarHBondContact CG2-OH 3.27Å; T315-Y321 PolarHBondContact OG1-OH 3.45Å
316	Y	98.7	Very high	98.7	Very high	58 Å²	58	27.1 Å²	27.1	23%	0.227	12%	0.124	C	C	.	.	S	Bend	trans	-95.4	128	176.7	-169.6	-80.6	0	0	0	112.2	A188 R254 Y259 L266	A188-Y316 HydrophobicContact CB-CD1 4.21Å; A188-Y316 HydrophobicContact CB-CD2 4.2Å; A188-Y316 HydrophobicContact CB-CE1 3.79Å; A188-Y316 HydrophobicContact CB-CE2 3.79Å; A188-Y316 HydrophobicContact CB-CG 4.4Å; R254-Y316 WeakPolarHBondContact CB-O 3.47Å; R254-Y316 HydrophobicContact CG-CD1 3.98Å; R254-Y316 HydrophobicContact CG-CG 4.49Å; R254-Y316 PolarHBondContact O-N 2.85Å; Y259-Y316 AromaticContact CD1-CD2 3.73Å; Y259-Y316 HydrophobicContact CD1-CD2 3.73Å; Y259-Y316 HydrophobicContact CD1-CG 4.28Å; Y259-Y316 AromaticContact CE1-CD2 3.6Å; Y259-Y316 HydrophobicContact CE1-CD2 3.6Å; Y259-Y316 AromaticContact CE1-CG 3.98Å; Y259-Y316 HydrophobicContact CE1-CG 3.98Å; L266-Y316 HydrophobicContact CD2-CD2 3.77Å; L266-Y316 HydrophobicContact CD2-CE2 4.45Å; L266-Y316 HydrophobicContact CD2-CG 4.31Å; L266-Y316 HydrophobicContact CG-CD2 4.37Å
317	S	98.6	Very high	98.7	Very high	3 Å²	3	24.2 Å²	24.2	2%	0.021	11%	0.11	C	C	.	.			trans	47.9	56.7	-174.9	-66.3	0	0	0	0	113.1	A188 D319 E320	A188-S317 WeakPolarHBondContact CB-OG 3.22Å; A188-S317 WeakPolarHBondContact O-CA 3.36Å; A188-S317 PolarHBondContact O-N 2.74Å; S317-D319 VanDerWaalsContact C-OD1 3.22Å; S317-D319 VanDerWaalsContact CA-OD1 3.26Å; S317-D319 WeakPolarHBondContact CA-OD1 3.44Å; S317-D319 PolarHBondContact O-N 3.32Å; S317-E320 PolarHBondContact O-N 3.42Å
318	P	98.8	Very high	98.7	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	9%	0.09	C	C	.	.	G	3₁₀ helix	trans	-58.1	-28.5	176.5	23.1	-31.4	0	0	0	112.8	A188 W190 V193 A312 E320 Y321 L322	A188-P318 WeakPolarHBondContact O-CD 3.41Å; W190-P318 HydrophobicContact CB-CG 4.47Å; W190-P318 HydrophobicContact CE3-CB 4.23Å; W190-P318 HydrophobicContact CE3-CG 4.15Å; V193-P318 HydrophobicContact CG2-CB 4.23Å; V193-P318 HydrophobicContact CG2-CG 4.09Å; A312-P318 HydrophobicContact CB-CB 4.37Å; P318-E320 PolarHBondContact O-N 2.98Å; P318-Y321 VanDerWaalsContact CA-CE1 3.45Å; P318-Y321 HydrophobicContact CB-CE1 4.15Å; P318-Y321 PolarHBondContact O-N 2.88Å; P318-Y321 VanDerWaalsContact O-N 3.16Å; P318-L322 WeakPolarHBondContact O-CB 3.38Å; P318-L322 PolarHBondContact O-N 2.89Å
319	D	98.7	Very high	98.7	Very high	20 Å²	20	20.5 Å²	20.5	11%	0.107	10%	0.095	C	C	.	.	G	3₁₀ helix	trans	-59.5	-25.5	173.9	56.9	-46.9	0	0	0	113.9	R192 V193 S286 A287 S317	R192-D319 HydrophobicContact CG-CB 4.3Å; V193-D319 HydrophobicContact CG2-CB 3.82Å; S286-D319 CarbonylContact C-O 3.57Å; S286-D319 VanDerWaalsContact C-O 3.26Å; S286-D319 VanDerWaalsContact O-O 3.09Å; A287-D319 WeakPolarHBondContact CA-O 3.27Å; A287-D319 HydrophobicContact CB-CB 3.85Å; A287-D319 PolarHBondContact N-O 3.49Å; S317-D319 VanDerWaalsContact C-OD1 3.22Å; S317-D319 VanDerWaalsContact CA-OD1 3.26Å; S317-D319 WeakPolarHBondContact CA-OD1 3.44Å; S317-D319 PolarHBondContact O-N 3.32Å
320	E	98.8	Very high	98.6	Very high	46 Å²	46	24.3 Å²	24.3	22%	0.215	12%	0.12	C	C	.	.	G	3₁₀ helix	trans	-88.5	4.6	177.8	-69.8	-174	-149	0	0	114.3	K251 R254 G285 S317 P318	K251-E320 IonicContact NZ-OE2 3.77Å; K251-E320 PolarHBondContact NZ-OE2 3.07Å; R254-E320 IonicContact CZ-OE2 2.62Å; R254-E320 VanDerWaalsContact NH1-CD 3.33Å; R254-E320 IonicContact NH1-OE1 3.37Å; R254-E320 IonicContact NH1-OE2 3.84Å; R254-E320 PolarHBondContact NH1-OE2 3.26Å; R254-E320 IonicContact NH2-OE2 2.69Å; G285-E320 CarbonylContact C-O 3.26Å; G285-E320 PolarHBondContact N-O 3.4Å; G285-E320 VanDerWaalsContact O-O 3.12Å; S317-E320 PolarHBondContact O-N 3.42Å; P318-E320 PolarHBondContact O-N 2.98Å
321	Y	98.8	Very high	98.5	Very high	5 Å²	5	26.6 Å²	26.6	2%	0.02	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-144.3	-24.7	175	74.1	-105.2	0	0	0	114.3	M247 W255 F283 F308 W311 A312 T315 P318 A324 T325	M247-Y321 HydrophobicContact CE-CG 4.45Å; W255-Y321 HydrophobicContact CB-CE1 4.29Å; F283-Y321 VanDerWaalsContact O-CA 3.26Å; F283-Y321 WeakPolarHBondContact O-CA 3.02Å; F283-Y321 WeakPolarHBondContact O-CB 3.37Å; F308-Y321 HydrophobicContact CE2-CE2 4.49Å; F308-Y321 HydrophobicContact CZ-CD2 4.35Å; F308-Y321 HydrophobicContact CZ-CE2 4.02Å; W311-Y321 HydrophobicContact CZ3-CE2 4.04Å; A312-Y321 HydrophobicContact CB-CE2 4.44Å; A312-Y321 WeakPolarHBondContact CB-OH 3.28Å; T315-Y321 WeakPolarHBondContact CB-OH 3.38Å; T315-Y321 VanDerWaalsContact CG2-OH 3.29Å; T315-Y321 WeakPolarHBondContact CG2-OH 3.27Å; T315-Y321 PolarHBondContact OG1-OH 3.45Å; P318-Y321 VanDerWaalsContact CA-CE1 3.45Å; P318-Y321 HydrophobicContact CB-CE1 4.15Å; P318-Y321 PolarHBondContact O-N 2.88Å; P318-Y321 VanDerWaalsContact O-N 3.16Å; Y321-A324 PolarHBondContact O-N 2.74Å; Y321-T325 WeakPolarHBondContact O-CB 3.04Å; Y321-T325 PolarHBondContact O-N 3.21Å; Y321-T325 PolarHBondContact O-OG1 3.02Å
322	L	98.9	Very high	98.5	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-60.9	-56.3	-174	-175.7	81.6	0	0	0	111.1	W190 V193 F308 M309 A312 P318 A324 T325 I326	W190-L322 HydrophobicContact CH2-CD2 4.09Å; W190-L322 HydrophobicContact CZ3-CD1 4.43Å; W190-L322 HydrophobicContact CZ3-CD2 3.88Å; V193-L322 HydrophobicContact CG1-CD2 3.43Å; V193-L322 VanDerWaalsContact CG1-CD2 3.43Å; V193-L322 HydrophobicContact CG2-CD2 4.3Å; F308-L322 HydrophobicContact CD1-CD1 3.82Å; F308-L322 HydrophobicContact CE1-CD1 3.47Å; F308-L322 VanDerWaalsContact CE1-CD1 3.47Å; F308-L322 HydrophobicContact CE1-CG 4.39Å; F308-L322 HydrophobicContact CZ-CD1 4.08Å; M309-L322 HydrophobicContact CG-CD1 4.05Å; M309-L322 HydrophobicContact CG-CD2 4.25Å; A312-L322 HydrophobicContact CB-CD1 3.98Å; P318-L322 WeakPolarHBondContact O-CB 3.38Å; P318-L322 PolarHBondContact O-N 2.89Å; L322-A324 PolarHBondContact O-N 2.72Å; L322-T325 PolarHBondContact O-N 2.67Å; L322-I326 HydrophobicContact CD1-CD1 4.28Å; L322-I326 HydrophobicContact CD2-CD1 4.49Å; L322-I326 HydrophobicContact CG-CD1 3.91Å; L322-I326 VanDerWaalsContact O-CG1 3.31Å; L322-I326 WeakPolarHBondContact O-CG1 3.24Å; L322-I326 PolarHBondContact O-N 2.84Å
323	W	98.9	Very high	98.5	Very high	1 Å²	1	27.2 Å²	27.2	0%	0.004	14%	0.138	C	C	.	.	H	α-helix	trans	-62.6	-44.8	-179.7	-50.3	124.6	0	0	0	111.4	V193 D196 L197 M200 L242 F289 V299 T325 I326 Q327	V193-W323 HydrophobicContact CG1-CH2 4.05Å; V193-W323 HydrophobicContact CG1-CZ2 3.71Å; D196-W323 HydrophobicContact CB-CZ2 4.38Å; L197-W323 HydrophobicContact CD2-CH2 3.85Å; L197-W323 HydrophobicContact CD2-CZ3 4.45Å; L197-W323 HydrophobicContact CG-CH2 4.17Å; M200-W323 HydrophobicContact CE-CH2 3.61Å; M200-W323 HydrophobicContact CE-CZ2 4.21Å; M200-W323 HydrophobicContact CE-CZ3 3.81Å; M200-W323 HydrophobicContact SD-CH2 4.22Å; M200-W323 HydrophobicContact SD-CZ3 4.46Å; L242-W323 HydrophobicContact CD1-CB 4.03Å; F289-W323 HydrophobicContact CD1-CB 4.31Å; F289-W323 AromaticContact CD1-CD1 3.69Å; F289-W323 AromaticContact CD1-CD2 3.91Å; F289-W323 HydrophobicContact CD1-CD2 3.91Å; F289-W323 AromaticContact CD1-CE2 3.98Å; F289-W323 AromaticContact CD1-CG 3.72Å; F289-W323 HydrophobicContact CD1-CG 3.72Å; F289-W323 AromaticContact CD1-NE1 3.82Å; F289-W323 AromaticContact CE1-CD1 3.98Å; F289-W323 AromaticContact CE1-CD2 3.85Å; F289-W323 HydrophobicContact CE1-CD2 3.85Å; F289-W323 AromaticContact CE1-CE2 3.53Å; F289-W323 HydrophobicContact CE1-CE3 4.48Å; F289-W323 HydrophobicContact CE1-CG 4.12Å; F289-W323 AromaticContact CE1-CZ2 3.9Å; F289-W323 HydrophobicContact CE1-CZ2 3.9Å; F289-W323 AromaticContact CE1-NE1 3.61Å; V299-W323 HydrophobicContact CG1-CZ3 4.43Å; W323-T325 VanDerWaalsContact C-N 3.25Å; W323-T325 PolarHBondContact O-N 3.46Å; W323-I326 HydrophobicContact CE3-CD1 4.39Å; W323-I326 PolarHBondContact O-N 3.07Å; W323-Q327 VanDerWaalsContact O-CB 3.31Å; W323-Q327 WeakPolarHBondContact O-CB 3.21Å; W323-Q327 PolarHBondContact O-N 2.05Å
324	A	98.9	Very high	98.5	Very high	1 Å²	1	23.4 Å²	23.4	1%	0.008	13%	0.125	C	C	.	.	H	α-helix	trans	-58.2	-37.9	176.8	0	0	0	0	0	112.3	L242 E243 T244 F283 Y321 L322 R328	L242-A324 HydrophobicContact CD1-CB 4.5Å; E243-A324 WeakPolarHBondContact O-CB 3.4Å; T244-A324 PolarHBondContact OG1-O 3.06Å; F283-A324 HydrophobicContact CB-CB 4.07Å; Y321-A324 PolarHBondContact O-N 2.74Å; L322-A324 PolarHBondContact O-N 2.72Å; A324-R328 WeakPolarHBondContact O-CG 3.49Å
325	T	98.9	Very high	98.5	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-75.1	-48.9	178.4	-59.1	0	0	0	0	111.2	L278 L282 F283 F308 Y321 L322 W323 Q327 R328 I329	L278-T325 HydrophobicContact CD1-CG2 3.56Å; L282-T325 HydrophobicContact CD2-CG2 3.71Å; F283-T325 PolarHBondContact N-OG1 3.19Å; F283-T325 PolarHBondContact O-OG1 3.49Å; F308-T325 HydrophobicContact CE1-CG2 3.91Å; F308-T325 HydrophobicContact CZ-CG2 3.76Å; Y321-T325 WeakPolarHBondContact O-CB 3.04Å; Y321-T325 PolarHBondContact O-N 3.21Å; Y321-T325 PolarHBondContact O-OG1 3.02Å; L322-T325 PolarHBondContact O-N 2.67Å; W323-T325 VanDerWaalsContact C-N 3.25Å; W323-T325 PolarHBondContact O-N 3.46Å; T325-Q327 PolarHBondContact O-N 3.11Å; T325-R328 PolarHBondContact O-N 3.2Å; T325-I329 PolarHBondContact O-N 3.5Å
326	I	98.8	Very high	98.4	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-57.7	-36	178.9	-65.6	169.9	0	0	0	110.7	Y295 V299 I305 F308 L322 W323 R328 I329 V332	Y295-I326 HydrophobicContact CE2-CG2 3.65Å; Y295-I326 WeakPolarHBondContact OH-CG2 3.05Å; V299-I326 HydrophobicContact CG2-CG2 3.94Å; I305-I326 HydrophobicContact CD1-CG1 4.36Å; I305-I326 HydrophobicContact CD1-CG2 4.17Å; I305-I326 HydrophobicContact CG2-CD1 3.83Å; I305-I326 HydrophobicContact CG2-CG1 4.37Å; F308-I326 HydrophobicContact CD1-CD1 4.5Å; F308-I326 HydrophobicContact CD1-CG1 4.06Å; F308-I326 HydrophobicContact CE1-CG1 4.06Å; L322-I326 HydrophobicContact CD1-CD1 4.28Å; L322-I326 HydrophobicContact CD2-CD1 4.49Å; L322-I326 HydrophobicContact CG-CD1 3.91Å; L322-I326 VanDerWaalsContact O-CG1 3.31Å; L322-I326 WeakPolarHBondContact O-CG1 3.24Å; L322-I326 PolarHBondContact O-N 2.84Å; W323-I326 HydrophobicContact CE3-CD1 4.39Å; W323-I326 PolarHBondContact O-N 3.07Å; I326-R328 PolarHBondContact O-N 3.33Å; I326-I329 HydrophobicContact CG1-CD1 4.41Å; I326-I329 PolarHBondContact O-N 3.32Å; I326-V332 HydrophobicContact CG2-CG1 4.12Å; I326-V332 HydrophobicContact CG2-CG2 4.17Å
327	Q	98.8	Very high	98.3	Very high	2 Å²	2	25 Å²	25	1%	0.009	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-13.1	176.2	-178.4	53.3	21.4	0	0	114.4	N240 L242 T244 W323 T325 G334 S335 L336	N240-Q327 VanDerWaalsContact CB-OE1 3.3Å; N240-Q327 PolarHBondContact ND2-OE1 3.43Å; L242-Q327 HydrophobicContact CD1-CB 3.99Å; L242-Q327 HydrophobicContact CD1-CG 4.28Å; L242-Q327 HydrophobicContact CD2-CB 4.13Å; L242-Q327 HydrophobicContact CD2-CG 3.98Å; L242-Q327 HydrophobicContact CG-CB 4.31Å; L242-Q327 HydrophobicContact CG-CG 4.1Å; T244-Q327 HydrophobicContact CG2-CG 4.05Å; W323-Q327 VanDerWaalsContact O-CB 3.31Å; W323-Q327 WeakPolarHBondContact O-CB 3.21Å; W323-Q327 PolarHBondContact O-N 2.05Å; T325-Q327 PolarHBondContact O-N 3.11Å; Q327-G334 PolarHBondContact NE2-O 3.15Å; Q327-S335 CarbonylContact O-C 3.52Å; Q327-S335 VanDerWaalsContact O-CA 3.25Å; Q327-S335 WeakPolarHBondContact O-CA 3.43Å; Q327-S335 WeakPolarHBondContact O-CB 3.35Å; Q327-L336 PolarHBondContact O-N 3.25Å
328	R	98.5	Very high	98.2	Very high	2 Å²	2	26.7 Å²	26.7	1%	0.008	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.6	1	-176.4	-49.4	-59.6	-78.9	-81.3	-0.5	113.6	T244 F283 A324 T325 I326 L336 S337 A338 S339 D343	T244-R328 PolarHBondContact O-NH1 2.92Å; T244-R328 VanDerWaalsContact O-NH1 3.11Å; T244-R328 WeakPolarHBondContact OG1-CD 3.45Å; T244-R328 VanDerWaalsContact OG1-CG 3.31Å; T244-R328 WeakPolarHBondContact OG1-CG 3.35Å; T244-R328 PolarHBondContact OG1-NH1 3.21Å; T244-R328 VanDerWaalsContact OG1-NH1 3.13Å; F283-R328 HydrophobicContact CD1-CG 4.05Å; F283-R328 HydrophobicContact CD2-CB 3.77Å; F283-R328 HydrophobicContact CD2-CG 3.64Å; F283-R328 HydrophobicContact CE1-CG 4.13Å; F283-R328 VanDerWaalsContact CE1-NH1 3.34Å; F283-R328 HydrophobicContact CE2-CB 3.51Å; F283-R328 HydrophobicContact CE2-CG 3.73Å; F283-R328 HydrophobicContact CG-CB 4.45Å; F283-R328 HydrophobicContact CG-CG 3.82Å; F283-R328 HydrophobicContact CZ-CB 3.99Å; F283-R328 HydrophobicContact CZ-CG 3.98Å; A324-R328 WeakPolarHBondContact O-CG 3.49Å; T325-R328 PolarHBondContact O-N 3.2Å; I326-R328 PolarHBondContact O-N 3.33Å; R328-L336 WeakPolarHBondContact CA-O 3.43Å; R328-S337 VanDerWaalsContact CZ-O 3.29Å; R328-S337 PolarHBondContact NE-O 3.19Å; R328-S337 PolarHBondContact NH2-O 3.18Å; R328-A338 HydrophobicContact CB-CB 4.44Å; R328-S339 PolarHBondContact NH2-O 3.46Å; R328-D343 IonicContact CZ-OD1 2.75Å; R328-D343 IonicContact NH1-OD1 2.95Å; R328-D343 PolarHBondContact NH1-OD1 3.44Å; R328-D343 IonicContact NH2-OD1 3.36Å; R328-D343 PolarHBondContact NH2-OD1 2.95Å
329	I	98.4	Very high	98.2	Very high	21 Å²	21	28.8 Å²	28.8	11%	0.108	17%	0.174	C	C	.	.	S	Bend	trans	-77.6	128.5	175.6	-63.1	173.2	0	0	0	108.4	L278 I305 T325 I326 V332 S335	L278-I329 HydrophobicContact CD1-CD1 4.16Å; L278-I329 HydrophobicContact CD2-CD1 3.62Å; L278-I329 HydrophobicContact CD2-CG1 4.43Å; I305-I329 HydrophobicContact CD1-CD1 3.53Å; T325-I329 PolarHBondContact O-N 3.5Å; I326-I329 HydrophobicContact CG1-CD1 4.41Å; I326-I329 PolarHBondContact O-N 3.32Å; I329-V332 HydrophobicContact CB-CG2 3.82Å; I329-V332 HydrophobicContact CG2-CG2 4.06Å; I329-V332 WeakPolarHBondContact O-CB 3.29Å; I329-V332 PolarHBondContact O-N 3.24Å; I329-S335 PolarHBondContact O-OG 3.3Å
330	P	97	Very high	98.1	Very high	86 Å²	86	34 Å²	34	56%	0.558	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.2	150.2	173.6	-26.5	34.5	0	0	0	112.3	T280 V332	T280-P330 HydrophobicContact CG2-CG 4.47Å; P330-V332 PolarHBondContact O-N 3.4Å; P330-V332 VanDerWaalsContact O-N 3.08Å
331	E	96.4	Very high	98	Very high	164 Å²	164	39.8 Å²	39.8	77%	0.766	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.6	-14.5	-179.5	-47	-178.1	167.2	0	0	116.4	P333	E331-P333 WeakPolarHBondContact O-CD 3.42Å
332	V	98.6	Very high	98	Very high	3 Å²	3	45.3 Å²	45.3	2%	0.018	24%	0.243	C	C	.	.	S	Bend	trans	-61.6	126.6	171.7	170.6	0	0	0	0	109	Y295 Y298 I305 I326 I329 P330 G334 S335	Y295-V332 HydrophobicContact CD2-CG1 3.47Å; Y295-V332 VanDerWaalsContact CD2-CG1 3.47Å; Y295-V332 HydrophobicContact CE2-CG1 3.66Å; Y298-V332 HydrophobicContact CD1-CG2 3.97Å; Y298-V332 HydrophobicContact CE1-CB 4.5Å; Y298-V332 HydrophobicContact CE1-CG2 3.64Å; I305-V332 HydrophobicContact CD1-CG2 4.24Å; I326-V332 HydrophobicContact CG2-CG1 4.12Å; I326-V332 HydrophobicContact CG2-CG2 4.17Å; I329-V332 HydrophobicContact CB-CG2 3.82Å; I329-V332 HydrophobicContact CG2-CG2 4.06Å; I329-V332 WeakPolarHBondContact O-CB 3.29Å; I329-V332 PolarHBondContact O-N 3.24Å; P330-V332 PolarHBondContact O-N 3.4Å; P330-V332 VanDerWaalsContact O-N 3.08Å; V332-G334 PolarHBondContact O-N 3.32Å; V332-S335 WeakPolarHBondContact O-CB 3.1Å; V332-S335 PolarHBondContact O-N 2.78Å; V332-S335 PolarHBondContact O-OG 2.84Å
333	P	98.8	Very high	98	Very high	36 Å²	36	46.8 Å²	46.8	23%	0.234	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	128.6	-179.2	-27.1	35.8	0	0	0	112.4	N240 E294 Y298 E331 S335	N240-P333 PolarHBondContact ND2-O 2.87Å; E294-P333 HydrophobicContact CB-CB 3.65Å; E294-P333 HydrophobicContact CB-CG 4.08Å; Y298-P333 HydrophobicContact CD2-CG 4.12Å; Y298-P333 HydrophobicContact CG-CG 4.27Å; E331-P333 WeakPolarHBondContact O-CD 3.42Å; P333-S335 PolarHBondContact O-N 3.3Å
334	G	98.1	Very high	97.9	Very high	19 Å²	19	48.8 Å²	48.8	20%	0.196	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	71.1	13.9	-178	0	0	0	0	0	114.8	N240 Q327 V332	N240-G334 PolarHBondContact N-O 3.18Å; N240-G334 VanDerWaalsContact N-O 3.1Å; N240-G334 VanDerWaalsContact ND2-C 3.32Å; N240-G334 PolarHBondContact ND2-O 3.35Å; Q327-G334 PolarHBondContact NE2-O 3.15Å; V332-G334 PolarHBondContact O-N 3.32Å
335	S	97.8	Very high	97.9	Very high	34 Å²	34	49.8 Å²	49.8	24%	0.238	27%	0.269	C	S	.	.			trans	-68.5	159.6	174.4	59.7	0	0	0	0	112.8	Q327 I329 V332 P333	Q327-S335 CarbonylContact O-C 3.52Å; Q327-S335 VanDerWaalsContact O-CA 3.25Å; Q327-S335 WeakPolarHBondContact O-CA 3.43Å; Q327-S335 WeakPolarHBondContact O-CB 3.35Å; I329-S335 PolarHBondContact O-OG 3.3Å; V332-S335 WeakPolarHBondContact O-CB 3.1Å; V332-S335 PolarHBondContact O-N 2.78Å; V332-S335 PolarHBondContact O-OG 2.84Å; P333-S335 PolarHBondContact O-N 3.3Å
336	L	96.8	Very high	97.9	Very high	19 Å²	19	51.5 Å²	51.5	10%	0.099	28%	0.278	C	S	.	.			trans	-109.2	156.7	172.4	-62.6	174.1	0	0	0	110	Q327 R328 A338 Y342 L344	Q327-L336 PolarHBondContact O-N 3.25Å; R328-L336 WeakPolarHBondContact CA-O 3.43Å; L336-A338 PolarHBondContact O-N 3Å; L336-Y342 HydrophobicContact CD2-CD1 4.35Å; L336-L344 HydrophobicContact CD1-CD1 3.69Å; L336-L344 HydrophobicContact CD1-CG 4.2Å
337	S	97.1	Very high	97.9	Very high	64 Å²	64	53.5 Å²	53.5	45%	0.448	29%	0.288	S	S	.	.			trans	-57.3	140.9	174.8	175.7	0	0	0	0	111.5	R328 S339	R328-S337 VanDerWaalsContact CZ-O 3.29Å; R328-S337 PolarHBondContact NE-O 3.19Å; R328-S337 PolarHBondContact NH2-O 3.18Å; S337-S339 PolarHBondContact O-N 3.14Å; S337-S339 PolarHBondContact OG-N 2.74Å
338	A	97.1	Very high	97.9	Very high	37 Å²	37	58.6 Å²	58.6	31%	0.306	31%	0.312	S	S	.	.	S	Bend	trans	-63.8	-6.6	173.8	0	0	0	0	0	114.2	T280 F283 R328 L336 H340	T280-A338 HydrophobicContact CG2-CB 4.3Å; F283-A338 HydrophobicContact CE2-CB 4.38Å; F283-A338 HydrophobicContact CZ-CB 4.06Å; F283-A338 WeakPolarHBondContact CZ-O 3.32Å; R328-A338 HydrophobicContact CB-CB 4.44Å; L336-A338 PolarHBondContact O-N 3Å; A338-H340 PolarHBondContact O-N 2.82Å
339	S	97.6	Very high	97.9	Very high	45 Å²	45	58.6 Å²	58.6	32%	0.315	31%	0.312	S	S	.	.	S	Bend	trans	-62.9	132.4	171.8	176.4	0	0	0	0	110.9	R328 S337 K341 Y342	R328-S339 PolarHBondContact NH2-O 3.46Å; S337-S339 PolarHBondContact O-N 3.14Å; S337-S339 PolarHBondContact OG-N 2.74Å; S339-K341 PolarHBondContact O-N 3.39Å; S339-Y342 PolarHBondContact O-N 3.24Å
340	H	96.4	Very high	97.9	Very high	128 Å²	128	58.6 Å²	58.6	59%	0.593	31%	0.313	S	S	*	.	G	3₁₀ helix	trans	-55.1	-15.9	178.2	70	-85.3	0	0	0	114.4	A338 Y342 D343	A338-H340 PolarHBondContact O-N 2.82Å; H340-Y342 PolarHBondContact O-N 3Å; H340-D343 WeakPolarHBondContact CA-OD1 3.49Å; H340-D343 WeakPolarHBondContact O-CB 3.36Å; H340-D343 PolarHBondContact O-N 3.17Å; H340-D343 VanDerWaalsContact O-N 3.16Å
341	K	97.8	Very high	97.9	Very high	169 Å²	169	54.7 Å²	54.7	74%	0.735	29%	0.288	S	S	*	.	G	3₁₀ helix	trans	-64.1	-19.3	173.4	-71.1	-176.7	173.1	-69.2	0	113.6	S339	S339-K341 PolarHBondContact O-N 3.39Å
342	Y	98.1	Very high	98	Very high	120 Å²	120	47.4 Å²	47.4	47%	0.471	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-104.6	14.3	177.3	-63.2	-92.7	0	0	0	112.3	L336 S339 H340 L344	L336-Y342 HydrophobicContact CD2-CD1 4.35Å; S339-Y342 PolarHBondContact O-N 3.24Å; H340-Y342 PolarHBondContact O-N 3Å; Y342-L344 PolarHBondContact O-N 2.83Å
343	D	98.5	Very high	98	Very high	32 Å²	32	47.3 Å²	47.3	17%	0.171	25%	0.253	C	S	.	.			trans	-63.8	136.4	172.6	-72.6	2.7	0	0	0	109.5	T244 E245 R246 R328 H340	T244-D343 VanDerWaalsContact O-CA 3.26Å; T244-D343 WeakPolarHBondContact O-CA 3.15Å; E245-D343 HydrophobicContact CG-CB 4.35Å; R246-D343 PolarHBondContact N-OD2 2.64Å; R328-D343 IonicContact CZ-OD1 2.75Å; R328-D343 IonicContact NH1-OD1 2.95Å; R328-D343 PolarHBondContact NH1-OD1 3.44Å; R328-D343 IonicContact NH2-OD1 3.36Å; R328-D343 PolarHBondContact NH2-OD1 2.95Å; H340-D343 WeakPolarHBondContact CA-OD1 3.49Å; H340-D343 WeakPolarHBondContact O-CB 3.36Å; H340-D343 PolarHBondContact O-N 3.17Å; H340-D343 VanDerWaalsContact O-N 3.16Å
344	L	98.4	Very high	98	Very high	42 Å²	42	46.4 Å²	46.4	22%	0.22	25%	0.247	C	C	.	.	B	Isolated β-bridge	trans	-122.4	114.2	178.5	-68.4	178.3	0	0	0	108.5	E243 T244 E245 L336 Y342 Q348	E243-L344 CarbonylContact C-O 3.56Å; E243-L344 WeakPolarHBondContact CA-O 3.44Å; T244-L344 HydrophobicContact CG2-CB 4.35Å; T244-L344 PolarHBondContact N-O 3.38Å; T244-L344 PolarHBondContact O-N 3.03Å; E245-L344 WeakPolarHBondContact CG-O 3.43Å; L336-L344 HydrophobicContact CD1-CD1 3.69Å; L336-L344 HydrophobicContact CD1-CG 4.2Å; Y342-L344 PolarHBondContact O-N 2.83Å; L344-Q348 HydrophobicContact CD2-CB 4.28Å
345	S	98.6	Very high	98.1	Very high	22 Å²	22	45.7 Å²	45.7	15%	0.154	24%	0.238	C	C	.	.			trans	-73	168.2	172	69	0	0	0	0	112.1	M347 Q348 A349	S345-M347 PolarHBondContact O-N 2.83Å; S345-Q348 PolarHBondContact O-N 3.39Å; S345-Q348 WeakPolarHBondContact OG-CG 3.49Å; S345-Q348 PolarHBondContact OG-N 3.13Å; S345-Q348 PolarHBondContact OG-OE1 2.89Å; S345-A349 PolarHBondContact O-N 3.28Å
346	D	98.4	Very high	98.1	Very high	36 Å²	36	47.9 Å²	47.9	19%	0.193	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-37.5	173.9	65.3	-17.4	0	0	0	112.8	E243 H396	E243-D346 HydrophobicContact CG-CB 4.43Å; D346-H396 PolarHBondContact O-NE2 3.36Å
347	M	98.4	Very high	98.2	Very high	42 Å²	42	51.7 Å²	51.7	21%	0.207	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-21	179	-70	-57.4	-63.6	0	0	113.7	S345 F353 P368 Y369 W390 K394 H395	S345-M347 PolarHBondContact O-N 2.83Å; M347-F353 HydrophobicContact CE-CD2 4.24Å; M347-F353 HydrophobicContact CE-CE2 3.99Å; M347-F353 HydrophobicContact SD-CD2 3.91Å; M347-F353 HydrophobicContact SD-CE2 3.85Å; M347-P368 HydrophobicContact CG-CB 4.41Å; M347-Y369 HydrophobicContact CE-CD1 4.41Å; M347-Y369 HydrophobicContact SD-CD1 3.91Å; M347-Y369 HydrophobicContact SD-CE1 4.07Å; M347-W390 HydrophobicContact CE-CH2 4.34Å; M347-K394 HydrophobicContact CE-CD 4.2Å; M347-H395 PolarHBondContact O-CE1 2.88Å; M347-H395 PolarHBondContact O-NE2 2.79Å
348	Q	98.3	Very high	98.2	Very high	110 Å²	110	55.4 Å²	55.4	51%	0.514	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.3	-39.4	178.1	-71	174.1	-44.6	0	0	112.5	L344 S345 H395	L344-Q348 HydrophobicContact CD2-CB 4.28Å; S345-Q348 PolarHBondContact O-N 3.39Å; S345-Q348 WeakPolarHBondContact OG-CG 3.49Å; S345-Q348 PolarHBondContact OG-N 3.13Å; S345-Q348 PolarHBondContact OG-OE1 2.89Å; Q348-H395 PolarHBondContact O-CE1 3.4Å; Q348-H395 PolarHBondContact O-NE2 2.88Å
349	A	98.4	Very high	98.3	Very high	2 Å²	2	59 Å²	59	2%	0.017	27%	0.273	C	S	.	.	S	Bend	trans	-62.4	152.3	172.8	0	0	0	0	0	110.9	S345 H395 H396	S345-A349 PolarHBondContact O-N 3.28Å; A349-H395 PolarHBondContact O-NE2 3.34Å; A349-H396 PolarHBondContact O-CD2 3.13Å; A349-H396 PolarHBondContact O-NE2 2.77Å
350	V	98.5	Very high	98.4	Very high	20 Å²	20	58.6 Å²	58.6	12%	0.121	27%	0.266	C	S	.	.	S	Bend	trans	-90.1	-11	179.3	-57.7	0	0	0	0	113.3	S241 V290 H396 L397	S241-V350 PolarHBondContact OG-N 2.95Å; V290-V350 HydrophobicContact CG2-CG2 4.41Å; V350-H396 CarbonylContact O-C 3.59Å; V350-H396 VanDerWaalsContact O-CA 3.25Å; V350-H396 WeakPolarHBondContact O-CA 3.11Å; V350-L397 HydrophobicContact CB-CG 4.27Å; V350-L397 HydrophobicContact CG2-CD1 4.19Å; V350-L397 HydrophobicContact CG2-CG 4.15Å; V350-L397 PolarHBondContact O-N 3.33Å
351	A	98.3	Very high	98.5	Very high	4 Å²	4	53.4 Å²	53.4	3%	0.033	25%	0.247	C	C	.	.	S	Bend	trans	-58.5	-57.2	-168.1	0	0	0	0	0	113.4	V290	V290-A351 HydrophobicContact CG2-CB 4.03Å
352	R	98.8	Very high	98.5	Very high	12 Å²	12	48.9 Å²	48.9	5%	0.045	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	132	-173.9	-161.7	76.6	69.4	-158	-15.2	112.8	N215 D220 Y288 V354 H396 F398 N400	N215-R352 PolarHBondContact O-NH2 3.03Å; D220-R352 WeakPolarHBondContact OD1-CD 3.38Å; D220-R352 IonicContact OD1-CZ 3.49Å; D220-R352 VanDerWaalsContact OD1-CZ 3.3Å; D220-R352 IonicContact OD1-NE 2.66Å; D220-R352 PolarHBondContact OD1-NE 3.07Å; D220-R352 VanDerWaalsContact OD1-NE 3.14Å; D220-R352 IonicContact OD1-NH1 2.75Å; D220-R352 PolarHBondContact OD1-NH1 2.89Å; D220-R352 IonicContact OD2-CZ 3.88Å; D220-R352 IonicContact OD2-NE 2.68Å; D220-R352 IonicContact OD2-NH1 3.98Å; D220-R352 PolarHBondContact OD2-NH1 2.83Å; D220-R352 IonicContact OD2-NH2 2.77Å; D220-R352 PolarHBondContact OD2-NH2 2.81Å; Y288-R352 HydrophobicContact CD2-CB 4.23Å; Y288-R352 HydrophobicContact CD2-CG 4.17Å; R352-V354 HydrophobicContact CB-CG2 4.29Å; R352-V354 HydrophobicContact CG-CG2 3.61Å; R352-H396 PolarHBondContact O-CD2 3.33Å; R352-F398 CarbonylContact C-O 3.58Å; R352-F398 WeakPolarHBondContact CA-O 3.5Å; R352-F398 VanDerWaalsContact NH1-CG 3.34Å; R352-N400 HydrophobicContact CG-CB 3.87Å
353	F	98.9	Very high	98.5	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	123.2	164	177.6	-109.8	0	0	0	110.5	M347 K355 Y369 F383 W390 M391 K394 H396 F398 A399 N400	M347-F353 HydrophobicContact CE-CD2 4.24Å; M347-F353 HydrophobicContact CE-CE2 3.99Å; M347-F353 HydrophobicContact SD-CD2 3.91Å; M347-F353 HydrophobicContact SD-CE2 3.85Å; F353-K355 HydrophobicContact CE1-CG 3.95Å; F353-K355 HydrophobicContact CZ-CD 4.36Å; F353-K355 HydrophobicContact CZ-CG 3.62Å; F353-Y369 HydrophobicContact CE2-CD1 4.04Å; F353-Y369 HydrophobicContact CZ-CD1 4.41Å; F353-Y369 HydrophobicContact CZ-CG 4.48Å; F353-F383 HydrophobicContact CD1-CE1 4.4Å; F353-F383 AromaticContact CD1-CZ 3.87Å; F353-F383 HydrophobicContact CD1-CZ 3.87Å; F353-F383 AromaticContact CE1-CE1 3.95Å; F353-F383 HydrophobicContact CE1-CE1 3.95Å; F353-F383 AromaticContact CE1-CZ 3.89Å; F353-F383 HydrophobicContact CE1-CZ 3.89Å; F353-W390 HydrophobicContact CE2-CH2 4.46Å; F353-W390 AromaticContact CE2-CZ3 3.7Å; F353-W390 HydrophobicContact CE2-CZ3 3.7Å; F353-W390 HydrophobicContact CZ-CE3 4.15Å; F353-W390 AromaticContact CZ-CZ3 3.57Å; F353-W390 HydrophobicContact CZ-CZ3 3.57Å; F353-M391 HydrophobicContact CD1-CE 4.48Å; F353-M391 HydrophobicContact CD1-CG 3.71Å; F353-M391 HydrophobicContact CD1-SD 4.47Å; F353-M391 HydrophobicContact CE1-CB 4.33Å; F353-M391 HydrophobicContact CE1-CE 4.4Å; F353-M391 HydrophobicContact CE1-CG 3.96Å; F353-K394 HydrophobicContact CD2-CG 4.18Å; F353-K394 HydrophobicContact CE2-CG 4.24Å; F353-H396 HydrophobicContact CB-CB 3.88Å; F353-F398 PolarHBondContact N-O 3.49Å; F353-A399 HydrophobicContact CB-CB 4.07Å; F353-A399 HydrophobicContact CD1-CB 4.09Å; F353-A399 CarbonylContact O-C 3.49Å; F353-A399 VanDerWaalsContact O-CA 3.24Å; F353-A399 WeakPolarHBondContact O-CA 3.39Å; F353-N400 PolarHBondContact O-N 2.82Å
354	V	98.8	Very high	98.4	Very high	18 Å²	18	49.3 Å²	49.3	11%	0.109	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	134.3	178.6	-171.3	0	0	0	0	109	R352 V380 N400	R352-V354 HydrophobicContact CB-CG2 4.29Å; R352-V354 HydrophobicContact CG-CG2 3.61Å; V354-V380 HydrophobicContact CG1-CG1 3.69Å; V354-N400 HydrophobicContact CG2-CB 4.02Å
355	K	98.8	Very high	98.4	Very high	3 Å²	3	55.4 Å²	55.4	1%	0.013	28%	0.276	C	S	.	.			trans	-98.2	125	168.9	-66.8	-174.4	179.8	-176	0	110.3	F353 E360 Y369 P370 P371 C381 F383 D387	F353-K355 HydrophobicContact CE1-CG 3.95Å; F353-K355 HydrophobicContact CZ-CD 4.36Å; F353-K355 HydrophobicContact CZ-CG 3.62Å; K355-E360 HydrophobicContact CB-CG 4.43Å; K355-Y369 HydrophobicContact CB-CD2 3.9Å; K355-Y369 HydrophobicContact CB-CE2 3.77Å; K355-Y369 HydrophobicContact CD-CD2 4.02Å; K355-Y369 HydrophobicContact CD-CG 4.38Å; K355-Y369 HydrophobicContact CG-CD1 4.36Å; K355-Y369 HydrophobicContact CG-CD2 3.57Å; K355-Y369 HydrophobicContact CG-CE2 3.95Å; K355-Y369 HydrophobicContact CG-CG 3.8Å; K355-P370 WeakPolarHBondContact CE-O 3.3Å; K355-P370 PolarHBondContact NZ-O 3.43Å; K355-P371 PolarHBondContact NZ-O 2.98Å; K355-C381 HydrophobicContact CB-CB 3.74Å; K355-C381 PolarHBondContact O-N 2.86Å; K355-F383 HydrophobicContact CB-CE1 4.31Å; K355-F383 HydrophobicContact CD-CE1 4.1Å; K355-F383 HydrophobicContact CG-CE1 3.96Å; K355-D387 IonicContact NZ-OD1 3.65Å; K355-D387 PolarHBondContact NZ-OD1 3.19Å
356	W	98.6	Very high	98.3	Very high	81 Å²	81	57.6 Å²	57.6	31%	0.307	30%	0.302	S	S	.	.	B	Isolated β-bridge	trans	-100.9	128.8	172.1	-66.6	93.9	0	0	0	110	Y358 F359 E360 Y369 S379 V380	W356-Y358 HydrophobicContact CB-CD2 4.31Å; W356-Y358 HydrophobicContact CB-CE1 4.19Å; W356-Y358 HydrophobicContact CB-CE2 3.84Å; W356-Y358 HydrophobicContact CD2-CE1 4.46Å; W356-Y358 AromaticContact CD2-CZ 3.95Å; W356-Y358 AromaticContact CE3-CE1 3.82Å; W356-Y358 HydrophobicContact CE3-CE1 3.82Å; W356-Y358 AromaticContact CE3-CZ 3.69Å; W356-Y358 HydrophobicContact CG-CE2 4.35Å; W356-Y358 PolarHBondContact O-N 3.17Å; W356-F359 HydrophobicContact CB-CD2 4.09Å; W356-F359 PolarHBondContact O-N 3.2Å; W356-E360 PolarHBondContact O-N 3.41Å; W356-Y369 WeakPolarHBondContact CB-OH 3.23Å; W356-Y369 PolarHBondContact N-OH 3.44Å; W356-S379 CarbonylContact C-O 3.53Å; W356-S379 WeakPolarHBondContact CA-O 3.16Å; W356-V380 HydrophobicContact CD2-CG2 4.35Å; W356-V380 HydrophobicContact CE3-CG2 3.87Å; W356-V380 HydrophobicContact CH2-CG2 3.92Å; W356-V380 HydrophobicContact CZ2-CG2 4.36Å; W356-V380 HydrophobicContact CZ3-CG2 3.65Å
357	Q	98.6	Very high	98.3	Very high	99 Å²	99	56.8 Å²	56.8	46%	0.463	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.1	-39.2	-173.7	-173	179.7	17.4	0	0	113.6	F359 S379	Q357-F359 VanDerWaalsContact C-N 3.29Å; Q357-F359 PolarHBondContact O-N 3.44Å; Q357-S379 PolarHBondContact N-O 2.92Å
358	Y	98.1	Very high	98.3	Very high	141 Å²	141	57.3 Å²	57.3	55%	0.553	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	-4	-176.7	46.6	-101.6	0	0	0	114.5	W356	W356-Y358 HydrophobicContact CB-CD2 4.31Å; W356-Y358 HydrophobicContact CB-CE1 4.19Å; W356-Y358 HydrophobicContact CB-CE2 3.84Å; W356-Y358 HydrophobicContact CD2-CE1 4.46Å; W356-Y358 AromaticContact CD2-CZ 3.95Å; W356-Y358 AromaticContact CE3-CE1 3.82Å; W356-Y358 HydrophobicContact CE3-CE1 3.82Å; W356-Y358 AromaticContact CE3-CZ 3.69Å; W356-Y358 HydrophobicContact CG-CE2 4.35Å; W356-Y358 PolarHBondContact O-N 3.17Å
359	F	98.5	Very high	98.3	Very high	113 Å²	113	52.1 Å²	52.1	50%	0.496	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.3	-6.9	173.9	-69.8	-45.8	0	0	0	113.5	W356 Q357 P368 Y369	W356-F359 HydrophobicContact CB-CD2 4.09Å; W356-F359 PolarHBondContact O-N 3.2Å; Q357-F359 VanDerWaalsContact C-N 3.29Å; Q357-F359 PolarHBondContact O-N 3.44Å; F359-P368 HydrophobicContact CB-CG 3.87Å; F359-P368 VanDerWaalsContact O-CD 3.31Å; F359-P368 WeakPolarHBondContact O-CD 3.32Å; F359-Y369 HydrophobicContact CB-CE2 4.01Å; F359-Y369 WeakPolarHBondContact CB-OH 3.26Å
360	E	98.6	Very high	98.3	Very high	36 Å²	36	53.5 Å²	53.5	17%	0.168	29%	0.292	C	S	.	.	B	Isolated β-bridge	trans	-65.6	141.7	176	-74.9	171.2	-151.3	0	0	111.9	K355 W356 Y369 C372 H376	K355-E360 HydrophobicContact CB-CG 4.43Å; W356-E360 PolarHBondContact O-N 3.41Å; E360-Y369 HydrophobicContact CG-CD2 3.82Å; E360-Y369 HydrophobicContact CG-CE2 3.77Å; E360-C372 WeakPolarHBondContact OE2-CB 3.42Å; E360-C372 PolarHBondContact OE2-N 3.29Å; E360-H376 IonicContact OE1-CD2 3.84Å; E360-H376 PolarHBondContact OE1-CD2 3.05Å; E360-H376 IonicContact OE1-CE1 3.69Å; E360-H376 IonicContact OE1-NE2 2.59Å; E360-H376 PolarHBondContact OE1-NE2 2.83Å; E360-H376 IonicContact OE2-CE1 3.82Å; E360-H376 PolarHBondContact OE2-CE1 3.43Å; E360-H376 IonicContact OE2-NE2 2.61Å; E360-H376 PolarHBondContact OE2-NE2 3.19Å
361	G	98.3	Very high	98.3	Very high	20 Å²	20	56.1 Å²	56.1	21%	0.206	31%	0.309	C	S	.	.	S	Bend	trans	169.7	-159.3	175.8	0	0	0	0	0	114.3	V363 Y369 P370	G361-V363 PolarHBondContact O-N 3.18Å; G361-Y369 PolarHBondContact N-O 3.41Å; G361-Y369 VanDerWaalsContact N-O 3.14Å; G361-P370 WeakPolarHBondContact O-CA 3.3Å
362	D	98.1	Very high	98.3	Very high	73 Å²	73	56.9 Å²	56.9	39%	0.39	31%	0.314	S	S	.	.			trans	-74	108.2	177.5	-174.7	-14.5	0	0	0	110.2	S364 K365 G366 A367	D362-S364 VanDerWaalsContact CG-OG 3.32Å; D362-S364 PolarHBondContact O-N 2.77Å; D362-S364 WeakPolarHBondContact OD1-CB 3.24Å; D362-S364 PolarHBondContact OD1-N 3.2Å; D362-S364 PolarHBondContact OD1-OG 3.35Å; D362-S364 PolarHBondContact OD2-OG 2.78Å; D362-K365 HydrophobicContact CB-CB 4.09Å; D362-K365 HydrophobicContact CB-CD 4.07Å; D362-K365 HydrophobicContact CB-CG 4.17Å; D362-K365 CarbonylContact O-C 3.57Å; D362-K365 WeakPolarHBondContact O-CA 3.48Å; D362-K365 PolarHBondContact O-N 3.23Å; D362-K365 WeakPolarHBondContact OD2-CD 3.46Å; D362-K365 WeakPolarHBondContact OD2-CE 3.37Å; D362-K365 WeakPolarHBondContact OD2-CG 3.17Å; D362-K365 IonicContact OD2-NZ 2.73Å; D362-K365 PolarHBondContact OD2-NZ 3.32Å; D362-K365 VanDerWaalsContact OD2-NZ 3.12Å; D362-G366 PolarHBondContact O-N 2.69Å; D362-A367 PolarHBondContact O-N 3.11Å
363	V	97.8	Very high	98.3	Very high	60 Å²	60	59.2 Å²	59.2	36%	0.364	33%	0.327	S	S	.	.	G	3₁₀ helix	trans	-60.5	-32.2	-178.9	179.7	0	0	0	0	111.7	G361 K365 G366 A367 Y369 P370 W390	G361-V363 PolarHBondContact O-N 3.18Å; V363-K365 PolarHBondContact O-N 2.95Å; V363-G366 PolarHBondContact O-N 3.44Å; V363-A367 WeakPolarHBondContact CA-O 3.25Å; V363-Y369 VanDerWaalsContact CG2-C 3.43Å; V363-P370 HydrophobicContact CG2-CG 3.85Å; V363-W390 HydrophobicContact CG2-CZ2 4.24Å
364	S	97.4	Very high	98.2	Very high	101 Å²	101	60.5 Å²	60.5	71%	0.706	34%	0.341	S	S	*	.	G	3₁₀ helix	trans	-69.3	-14.6	176.5	75.2	0	0	0	0	113	D362	D362-S364 VanDerWaalsContact CG-OG 3.32Å; D362-S364 PolarHBondContact O-N 2.77Å; D362-S364 WeakPolarHBondContact OD1-CB 3.24Å; D362-S364 PolarHBondContact OD1-N 3.2Å; D362-S364 PolarHBondContact OD1-OG 3.35Å; D362-S364 PolarHBondContact OD2-OG 2.78Å
365	K	97.8	Very high	98.2	Very high	171 Å²	171	62.9 Å²	62.9	74%	0.743	36%	0.355	S	S	*	.	G	3₁₀ helix	trans	-111.6	16.5	179.3	-61.1	179.3	-174.6	152.6	0	113.3	D362 V363	D362-K365 HydrophobicContact CB-CB 4.09Å; D362-K365 HydrophobicContact CB-CD 4.07Å; D362-K365 HydrophobicContact CB-CG 4.17Å; D362-K365 CarbonylContact O-C 3.57Å; D362-K365 WeakPolarHBondContact O-CA 3.48Å; D362-K365 PolarHBondContact O-N 3.23Å; D362-K365 WeakPolarHBondContact OD2-CD 3.46Å; D362-K365 WeakPolarHBondContact OD2-CE 3.37Å; D362-K365 WeakPolarHBondContact OD2-CG 3.17Å; D362-K365 IonicContact OD2-NZ 2.73Å; D362-K365 PolarHBondContact OD2-NZ 3.32Å; D362-K365 VanDerWaalsContact OD2-NZ 3.12Å; V363-K365 PolarHBondContact O-N 2.95Å
366	G	97.6	Very high	98.2	Very high	68 Å²	68	65.8 Å²	65.8	70%	0.701	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	102.5	1.8	170.8	0	0	0	0	0	115.9	D362 V363	D362-G366 PolarHBondContact O-N 2.69Å; V363-G366 PolarHBondContact O-N 3.44Å
367	A	98.5	Very high	98.1	Very high	19 Å²	19	64.9 Å²	64.9	16%	0.157	37%	0.372	C	S	.	.			trans	-68.3	138.2	168.9	0	0	0	0	0	110.4	D362 V363 Y369	D362-A367 PolarHBondContact O-N 3.11Å; V363-A367 WeakPolarHBondContact CA-O 3.25Å; A367-Y369 PolarHBondContact O-N 2.91Å
368	P	98.1	Very high	98	Very high	52 Å²	52	67.9 Å²	67.9	34%	0.338	38%	0.379	S	S	.	.	S	Bend	trans	-64.9	-25.9	177	25.2	-36.2	0	0	0	113.2	M347 F359 W390	M347-P368 HydrophobicContact CG-CB 4.41Å; F359-P368 HydrophobicContact CB-CG 3.87Å; F359-P368 VanDerWaalsContact O-CD 3.31Å; F359-P368 WeakPolarHBondContact O-CD 3.32Å; P368-W390 VanDerWaalsContact O-CH2 3.25Å; P368-W390 WeakPolarHBondContact O-CH2 3.35Å
369	Y	98.5	Very high	98	Very high	1 Å²	1	63.2 Å²	63.2	0%	0.004	37%	0.367	C	S	.	.	B	Isolated β-bridge	trans	-155.1	157.2	-179.2	33.7	-104.1	0	0	0	113	M347 F353 K355 W356 F359 E360 G361 V363 A367	M347-Y369 HydrophobicContact CE-CD1 4.41Å; M347-Y369 HydrophobicContact SD-CD1 3.91Å; M347-Y369 HydrophobicContact SD-CE1 4.07Å; F353-Y369 HydrophobicContact CE2-CD1 4.04Å; F353-Y369 HydrophobicContact CZ-CD1 4.41Å; F353-Y369 HydrophobicContact CZ-CG 4.48Å; K355-Y369 HydrophobicContact CB-CD2 3.9Å; K355-Y369 HydrophobicContact CB-CE2 3.77Å; K355-Y369 HydrophobicContact CD-CD2 4.02Å; K355-Y369 HydrophobicContact CD-CG 4.38Å; K355-Y369 HydrophobicContact CG-CD1 4.36Å; K355-Y369 HydrophobicContact CG-CD2 3.57Å; K355-Y369 HydrophobicContact CG-CE2 3.95Å; K355-Y369 HydrophobicContact CG-CG 3.8Å; W356-Y369 WeakPolarHBondContact CB-OH 3.23Å; W356-Y369 PolarHBondContact N-OH 3.44Å; F359-Y369 HydrophobicContact CB-CE2 4.01Å; F359-Y369 WeakPolarHBondContact CB-OH 3.26Å; E360-Y369 HydrophobicContact CG-CD2 3.82Å; E360-Y369 HydrophobicContact CG-CE2 3.77Å; G361-Y369 PolarHBondContact N-O 3.41Å; G361-Y369 VanDerWaalsContact N-O 3.14Å; V363-Y369 VanDerWaalsContact CG2-C 3.43Å; A367-Y369 PolarHBondContact O-N 2.91Å
370	P	98.4	Very high	98	Very high	32 Å²	32	58.2 Å²	58.2	21%	0.208	35%	0.346	C	S	.	.	P	Polyproline II helix	trans	-64.1	163.6	176.6	-18.2	31.2	0	0	0	112.4	K355 G361 V363 W390	K355-P370 WeakPolarHBondContact CE-O 3.3Å; K355-P370 PolarHBondContact NZ-O 3.43Å; G361-P370 WeakPolarHBondContact O-CA 3.3Å; V363-P370 HydrophobicContact CG2-CG 3.85Å; P370-W390 VanDerWaalsContact CD-CE2 3.45Å; P370-W390 HydrophobicContact CG-CB 4.43Å; P370-W390 HydrophobicContact CG-CD2 3.93Å; P370-W390 HydrophobicContact CG-CG 3.79Å
371	P	98.6	Very high	98	Very high	75 Å²	75	56.5 Å²	56.5	49%	0.487	34%	0.338	S	S	.	.	P	Polyproline II helix	trans	-50.7	153.1	169.9	-25.7	36.3	0	0	0	113.7	K355	K355-P371 PolarHBondContact NZ-O 2.98Å
372	C	98.5	Very high	98	Very high	20 Å²	20	56 Å²	56	14%	0.135	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-68.1	132.5	173.2	-171.8	0	0	0	0	110.7	E360 H376 C381	E360-C372 WeakPolarHBondContact OE2-CB 3.42Å; E360-C372 PolarHBondContact OE2-N 3.29Å; C372-H376 WeakPolarHBondContact CB-NE2 3.29Å; C372-C381 HydrophobicContact CB-CB 3.73Å; C372-C381 WeakPolarHBondContact CB-SG 3.39Å; C372-C381 WeakPolarHBondContact SG-CB 3.39Å; C372-C381 CovalentContact SG-SG 2.03Å; C372-C381 PolarHBondContact SG-SG 3.03Å
373	D	97.7	Very high	98	Very high	61 Å²	61	52.5 Å²	52.5	33%	0.326	31%	0.311	S	S	.	.	S	Bend	trans	-92	-7.4	173.5	-97.5	-73.5	0	0	0	113.2	K74 D387	K74-D373 WeakPolarHBondContact CE-OD1 3.41Å; K74-D373 IonicContact NZ-OD1 3.43Å; K74-D373 PolarHBondContact NZ-OD1 3.26Å; D373-D387 PolarHBondContact N-OD1 3.06Å; D373-D387 PolarHBondContact N-OD2 2.91Å
374	G	97	Very high	98.1	Very high	27 Å²	27	49.6 Å²	49.6	28%	0.278	29%	0.294	S	S	.	.	S	Bend	trans	-101.8	-123.9	172.8	0	0	0	0	0	113.1	I382	G374-I382 WeakPolarHBondContact CA-O 3.34Å
375	V	98.2	Very high	98.1	Very high	68 Å²	68	44.9 Å²	44.9	41%	0.412	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	153.2	-178.1	-55.7	0	0	0	0	112.1	I382 V406	V375-I382 HydrophobicContact CG2-CB 4.19Å; V375-I382 HydrophobicContact CG2-CD1 4.29Å; V375-I382 PolarHBondContact N-O 3.46Å; V375-I382 VanDerWaalsContact N-O 3.14Å; V375-I382 PolarHBondContact O-N 3.33Å; V375-V406 HydrophobicContact CG1-CG1 4.34Å; V375-V406 HydrophobicContact CG2-CB 4.46Å; V375-V406 HydrophobicContact CG2-CG1 3.76Å; V375-V406 HydrophobicContact CG2-CG2 3.79Å
376	H	98.6	Very high	98.1	Very high	64 Å²	64	37.4 Å²	37.4	30%	0.296	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	131.9	174.9	-59	94.8	0	0	0	112	E360 C372 V380	E360-H376 IonicContact OE1-CD2 3.84Å; E360-H376 PolarHBondContact OE1-CD2 3.05Å; E360-H376 IonicContact OE1-CE1 3.69Å; E360-H376 IonicContact OE1-NE2 2.59Å; E360-H376 PolarHBondContact OE1-NE2 2.83Å; E360-H376 IonicContact OE2-CE1 3.82Å; E360-H376 PolarHBondContact OE2-CE1 3.43Å; E360-H376 IonicContact OE2-NE2 2.61Å; E360-H376 PolarHBondContact OE2-NE2 3.19Å; C372-H376 WeakPolarHBondContact CB-NE2 3.29Å; H376-V380 WeakPolarHBondContact CA-O 3.19Å
377	V	98	Very high	98.1	Very high	62 Å²	62	34.2 Å²	34.2	38%	0.376	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	116.1	170.1	176.8	0	0	0	0	109	S379 V380 I382	V377-S379 VanDerWaalsContact C-N 3.29Å; V377-S379 PolarHBondContact O-N 3.42Å; V377-V380 PolarHBondContact N-O 3.28Å; V377-V380 PolarHBondContact O-N 3.47Å; V377-I382 HydrophobicContact CB-CD1 4.01Å; V377-I382 HydrophobicContact CB-CG1 4.45Å; V377-I382 HydrophobicContact CG2-CD1 3.48Å; V377-I382 VanDerWaalsContact CG2-CD1 3.48Å; V377-I382 HydrophobicContact CG2-CG1 4.24Å
378	R	95.8	Very high	98.1	Very high	162 Å²	162	33.3 Å²	33.3	61%	0.611	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.7	47.9	-173.3	-61.7	178.4	-74.4	-174	-6	111.7	V380	R378-V380 PolarHBondContact O-N 2.96Å; R378-V380 VanDerWaalsContact O-N 3.11Å
379	S	97.6	Very high	98.1	Very high	43 Å²	43	32.4 Å²	32.4	30%	0.301	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.5	5.8	-179.9	-52.1	0	0	0	0	116.4	W356 Q357 V377	W356-S379 CarbonylContact C-O 3.53Å; W356-S379 WeakPolarHBondContact CA-O 3.16Å; Q357-S379 PolarHBondContact N-O 2.92Å; V377-S379 VanDerWaalsContact C-N 3.29Å; V377-S379 PolarHBondContact O-N 3.42Å
380	V	98.5	Very high	98.1	Very high	8 Å²	8	34.9 Å²	34.9	5%	0.048	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	132	172.7	-180	0	0	0	0	109.5	V354 W356 H376 V377 R378 I382 K401	V354-V380 HydrophobicContact CG1-CG1 3.69Å; W356-V380 HydrophobicContact CD2-CG2 4.35Å; W356-V380 HydrophobicContact CE3-CG2 3.87Å; W356-V380 HydrophobicContact CH2-CG2 3.92Å; W356-V380 HydrophobicContact CZ2-CG2 4.36Å; W356-V380 HydrophobicContact CZ3-CG2 3.65Å; H376-V380 WeakPolarHBondContact CA-O 3.19Å; V377-V380 PolarHBondContact N-O 3.28Å; V377-V380 PolarHBondContact O-N 3.47Å; R378-V380 PolarHBondContact O-N 2.96Å; R378-V380 VanDerWaalsContact O-N 3.11Å; V380-I382 PolarHBondContact O-N 2.94Å; V380-K401 HydrophobicContact CB-CD 4.38Å; V380-K401 HydrophobicContact CG1-CD 3.89Å; V380-K401 HydrophobicContact CG1-CG 4.06Å
381	C	98.8	Very high	98.1	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	126	172.6	177.7	0	0	0	0	110.6	K355 C372 F383 K401	K355-C381 HydrophobicContact CB-CB 3.74Å; K355-C381 PolarHBondContact O-N 2.86Å; C372-C381 HydrophobicContact CB-CB 3.73Å; C372-C381 WeakPolarHBondContact CB-SG 3.39Å; C372-C381 WeakPolarHBondContact SG-CB 3.39Å; C372-C381 CovalentContact SG-SG 2.03Å; C372-C381 PolarHBondContact SG-SG 3.03Å; C381-F383 HydrophobicContact CB-CD1 4.46Å; C381-F383 HydrophobicContact CB-CE1 4.37Å; C381-F383 VanDerWaalsContact SG-CD1 3.58Å; C381-K401 PolarHBondContact O-N 2.62Å
382	I	98.8	Very high	98	Very high	8 Å²	8	31.5 Å²	31.5	4%	0.041	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	113.7	158.1	-56.2	-179.4	0	0	0	105.9	G374 V375 V377 V380 K401 D403 V406	G374-I382 WeakPolarHBondContact CA-O 3.34Å; V375-I382 HydrophobicContact CG2-CB 4.19Å; V375-I382 HydrophobicContact CG2-CD1 4.29Å; V375-I382 PolarHBondContact N-O 3.46Å; V375-I382 VanDerWaalsContact N-O 3.14Å; V375-I382 PolarHBondContact O-N 3.33Å; V377-I382 HydrophobicContact CB-CD1 4.01Å; V377-I382 HydrophobicContact CB-CG1 4.45Å; V377-I382 HydrophobicContact CG2-CD1 3.48Å; V377-I382 VanDerWaalsContact CG2-CD1 3.48Å; V377-I382 HydrophobicContact CG2-CG1 4.24Å; V380-I382 PolarHBondContact O-N 2.94Å; I382-K401 CarbonylContact C-O 3.44Å; I382-K401 WeakPolarHBondContact CA-O 3.47Å; I382-K401 HydrophobicContact CG1-CB 4.11Å; I382-D403 HydrophobicContact CG2-CB 3.69Å; I382-V406 HydrophobicContact CB-CG1 4.34Å; I382-V406 HydrophobicContact CB-CG2 4.35Å; I382-V406 HydrophobicContact CD1-CG2 4.02Å; I382-V406 HydrophobicContact CG2-CB 3.8Å; I382-V406 HydrophobicContact CG2-CG1 3.9Å; I382-V406 HydrophobicContact CG2-CG2 3.83Å
383	F	98.8	Very high	98	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.195	C	C	.	.			trans	-65.1	139	-168.3	-59.6	-59.6	0	0	0	112.8	F353 K355 C381 D387 M391 A399 N400 K401 F402	F353-F383 HydrophobicContact CD1-CE1 4.4Å; F353-F383 AromaticContact CD1-CZ 3.87Å; F353-F383 HydrophobicContact CD1-CZ 3.87Å; F353-F383 AromaticContact CE1-CE1 3.95Å; F353-F383 HydrophobicContact CE1-CE1 3.95Å; F353-F383 AromaticContact CE1-CZ 3.89Å; F353-F383 HydrophobicContact CE1-CZ 3.89Å; K355-F383 HydrophobicContact CB-CE1 4.31Å; K355-F383 HydrophobicContact CD-CE1 4.1Å; K355-F383 HydrophobicContact CG-CE1 3.96Å; C381-F383 HydrophobicContact CB-CD1 4.46Å; C381-F383 HydrophobicContact CB-CE1 4.37Å; C381-F383 VanDerWaalsContact SG-CD1 3.58Å; F383-D387 WeakPolarHBondContact CA-OD2 3.38Å; F383-D387 HydrophobicContact CB-CB 4.15Å; F383-D387 HydrophobicContact CD1-CB 3.9Å; F383-D387 HydrophobicContact CG-CB 4.39Å; F383-M391 HydrophobicContact CB-CE 3.92Å; F383-M391 HydrophobicContact CD1-CE 3.4Å; F383-M391 HydrophobicContact CD2-CE 3.35Å; F383-M391 HydrophobicContact CD2-SD 4.44Å; F383-M391 HydrophobicContact CE1-CE 3.62Å; F383-M391 HydrophobicContact CE2-CE 3.54Å; F383-M391 HydrophobicContact CE2-SD 4.4Å; F383-M391 HydrophobicContact CG-CE 3.26Å; F383-M391 HydrophobicContact CZ-CE 3.69Å; F383-A399 HydrophobicContact CE2-CB 3.73Å; F383-A399 HydrophobicContact CZ-CB 4.31Å; F383-N400 WeakPolarHBondContact CE2-O 3.38Å; F383-N400 VanDerWaalsContact CZ-O 3.23Å; F383-N400 WeakPolarHBondContact CZ-O 3.46Å; F383-K401 WeakPolarHBondContact CD2-O 3.26Å; F383-K401 PolarHBondContact N-O 3.27Å; F383-F402 HydrophobicContact CB-CD1 4.16Å; F383-F402 HydrophobicContact CB-CE1 3.93Å; F383-F402 HydrophobicContact CB-CZ 4.49Å; F383-F402 HydrophobicContact CD2-CD1 4.21Å; F383-F402 HydrophobicContact CD2-CD2 4.08Å; F383-F402 AromaticContact CD2-CE1 3.84Å; F383-F402 HydrophobicContact CD2-CE1 3.84Å; F383-F402 AromaticContact CD2-CE2 3.71Å; F383-F402 HydrophobicContact CD2-CE2 3.71Å; F383-F402 HydrophobicContact CD2-CG 4.33Å; F383-F402 AromaticContact CD2-CZ 3.59Å; F383-F402 HydrophobicContact CD2-CZ 3.59Å; F383-F402 HydrophobicContact CE2-CE2 4.09Å; F383-F402 HydrophobicContact CE2-CZ 4.23Å; F383-F402 HydrophobicContact CG-CE1 4.31Å; F383-F402 HydrophobicContact CG-CZ 4.39Å
384	G	98.2	Very high	98	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.19	C	C	.	.			trans	-98.4	172.3	165.6	0	0	0	0	0	111.6	G386 D387 D407	G384-G386 PolarHBondContact O-N 3.09Å; G384-G386 VanDerWaalsContact O-N 3.15Å; G384-D387 PolarHBondContact N-OD2 3.17Å; G384-D387 WeakPolarHBondContact O-CB 3.42Å; G384-D387 PolarHBondContact O-N 3.08Å; G384-D407 VanDerWaalsContact CA-OD2 3.25Å; G384-D407 WeakPolarHBondContact CA-OD2 3.46Å
385	A	97.6	Very high	98.1	Very high	2 Å²	2	40.8 Å²	40.8	2%	0.017	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-57.4	-30.5	179.1	0	0	0	0	0	113.1	V62 V73 D387 L388 D407	V62-A385 HydrophobicContact CG1-CB 3.8Å; V62-A385 WeakPolarHBondContact CG1-O 3.45Å; V73-A385 HydrophobicContact CB-CB 4.34Å; V73-A385 HydrophobicContact CG1-CB 3.71Å; V73-A385 HydrophobicContact CG2-CB 4.39Å; A385-D387 VanDerWaalsContact C-N 3.27Å; A385-D387 PolarHBondContact O-N 3.24Å; A385-L388 WeakPolarHBondContact O-CG 3.31Å; A385-L388 PolarHBondContact O-N 2.94Å; A385-D407 PolarHBondContact N-OD2 3.46Å
386	G	97.8	Very high	98.2	Very high	13 Å²	13	37.6 Å²	37.6	13%	0.134	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-66.7	-22.8	176.7	0	0	0	0	0	114.6	G384 L388	G384-G386 PolarHBondContact O-N 3.09Å; G384-G386 VanDerWaalsContact O-N 3.15Å; G386-L388 VanDerWaalsContact C-N 3.31Å; G386-L388 PolarHBondContact O-N 3.02Å
387	D	98.6	Very high	98.2	Very high	2 Å²	2	34.6 Å²	34.6	1%	0.011	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-74.5	-21.3	179.5	-68.8	-69.1	0	0	0	112.9	K355 D373 F383 G384 A385 N389 M391	K355-D387 IonicContact NZ-OD1 3.65Å; K355-D387 PolarHBondContact NZ-OD1 3.19Å; D373-D387 PolarHBondContact N-OD1 3.06Å; D373-D387 PolarHBondContact N-OD2 2.91Å; F383-D387 WeakPolarHBondContact CA-OD2 3.38Å; F383-D387 HydrophobicContact CB-CB 4.15Å; F383-D387 HydrophobicContact CD1-CB 3.9Å; F383-D387 HydrophobicContact CG-CB 4.39Å; G384-D387 PolarHBondContact N-OD2 3.17Å; G384-D387 WeakPolarHBondContact O-CB 3.42Å; G384-D387 PolarHBondContact O-N 3.08Å; A385-D387 VanDerWaalsContact C-N 3.27Å; A385-D387 PolarHBondContact O-N 3.24Å; D387-N389 PolarHBondContact O-N 3.16Å; D387-M391 HydrophobicContact CB-CE 4.09Å; D387-M391 WeakPolarHBondContact O-CB 3.28Å; D387-M391 PolarHBondContact O-N 3.37Å
388	L	98.5	Very high	98.2	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-64.3	-43.7	-167.7	-64.5	-174.6	0	0	0	113.8	V62 L63 A385 G386 W390 M391 L392 F402 A410 C413 L414	V62-L388 HydrophobicContact CG1-CD1 4.11Å; L63-L388 HydrophobicContact CD2-CB 4.24Å; L63-L388 HydrophobicContact CD2-CD1 4.02Å; A385-L388 WeakPolarHBondContact O-CG 3.31Å; A385-L388 PolarHBondContact O-N 2.94Å; G386-L388 VanDerWaalsContact C-N 3.31Å; G386-L388 PolarHBondContact O-N 3.02Å; L388-W390 VanDerWaalsContact C-N 3.3Å; L388-W390 PolarHBondContact O-N 3.27Å; L388-M391 PolarHBondContact O-N 2.67Å; L388-L392 WeakPolarHBondContact O-CB 3.3Å; L388-L392 PolarHBondContact O-N 3.38Å; L388-F402 HydrophobicContact CD2-CE1 4.25Å; L388-A410 WeakPolarHBondContact CD1-O 3.42Å; L388-C413 HydrophobicContact CD1-CB 3.92Å; L388-L414 HydrophobicContact CD2-CB 4.25Å; L388-L414 HydrophobicContact CD2-CD2 4.25Å
389	N	97.8	Very high	98.4	Very high	33 Å²	33	23.9 Å²	23.9	18%	0.176	11%	0.112	C	C	.	.	H	α-helix	trans	-59.3	-41.4	-175.2	175.7	-96.1	0	0	0	112.4	L63 Q64 D387 R393	L63-N389 WeakPolarHBondContact O-CB 3.45Å; L63-N389 PolarHBondContact O-ND2 3.28Å; Q64-N389 WeakPolarHBondContact CA-ND2 3.37Å; Q64-N389 PolarHBondContact O-ND2 3.02Å; D387-N389 PolarHBondContact O-N 3.16Å; N389-R393 PolarHBondContact ND2-NH2 3.38Å; N389-R393 WeakPolarHBondContact O-CG 3.39Å; N389-R393 PolarHBondContact O-NE 3.01Å; N389-R393 PolarHBondContact OD1-NH2 3.41Å
390	W	97.8	Very high	98.4	Very high	52 Å²	52	22.1 Å²	22.1	20%	0.197	10%	0.099	C	C	.	.	H	α-helix	trans	-79.9	-39.4	179.2	-167.2	99.2	0	0	0	111.2	M347 F353 V363 P368 P370 L388 R393 K394	M347-W390 HydrophobicContact CE-CH2 4.34Å; F353-W390 HydrophobicContact CE2-CH2 4.46Å; F353-W390 AromaticContact CE2-CZ3 3.7Å; F353-W390 HydrophobicContact CE2-CZ3 3.7Å; F353-W390 HydrophobicContact CZ-CE3 4.15Å; F353-W390 AromaticContact CZ-CZ3 3.57Å; F353-W390 HydrophobicContact CZ-CZ3 3.57Å; V363-W390 HydrophobicContact CG2-CZ2 4.24Å; P368-W390 VanDerWaalsContact O-CH2 3.25Å; P368-W390 WeakPolarHBondContact O-CH2 3.35Å; P370-W390 VanDerWaalsContact CD-CE2 3.45Å; P370-W390 HydrophobicContact CG-CB 4.43Å; P370-W390 HydrophobicContact CG-CD2 3.93Å; P370-W390 HydrophobicContact CG-CG 3.79Å; L388-W390 VanDerWaalsContact C-N 3.3Å; L388-W390 PolarHBondContact O-N 3.27Å; W390-R393 PolarHBondContact O-N 3.1Å; W390-K394 HydrophobicContact CE3-CD 3.93Å; W390-K394 VanDerWaalsContact CE3-CE 3.48Å; W390-K394 HydrophobicContact CE3-CG 3.95Å; W390-K394 HydrophobicContact CH2-CD 3.51Å; W390-K394 HydrophobicContact CH2-CG 4.33Å; W390-K394 HydrophobicContact CZ2-CD 4.28Å; W390-K394 HydrophobicContact CZ3-CD 3.28Å; W390-K394 HydrophobicContact CZ3-CG 3.6Å
391	M	98.5	Very high	98.4	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-60.8	-44	179.8	-177.2	-167.9	-55.9	0	0	112.7	I223 F353 F383 D387 L388 R393 K394 A399 F402	I223-M391 HydrophobicContact CD1-CG 4.32Å; I223-M391 HydrophobicContact CG2-CG 4.11Å; I223-M391 HydrophobicContact CG2-SD 3.64Å; F353-M391 HydrophobicContact CD1-CE 4.48Å; F353-M391 HydrophobicContact CD1-CG 3.71Å; F353-M391 HydrophobicContact CD1-SD 4.47Å; F353-M391 HydrophobicContact CE1-CB 4.33Å; F353-M391 HydrophobicContact CE1-CE 4.4Å; F353-M391 HydrophobicContact CE1-CG 3.96Å; F383-M391 HydrophobicContact CB-CE 3.92Å; F383-M391 HydrophobicContact CD1-CE 3.4Å; F383-M391 HydrophobicContact CD2-CE 3.35Å; F383-M391 HydrophobicContact CD2-SD 4.44Å; F383-M391 HydrophobicContact CE1-CE 3.62Å; F383-M391 HydrophobicContact CE2-CE 3.54Å; F383-M391 HydrophobicContact CE2-SD 4.4Å; F383-M391 HydrophobicContact CG-CE 3.26Å; F383-M391 HydrophobicContact CZ-CE 3.69Å; D387-M391 HydrophobicContact CB-CE 4.09Å; D387-M391 WeakPolarHBondContact O-CB 3.28Å; D387-M391 PolarHBondContact O-N 3.37Å; L388-M391 PolarHBondContact O-N 2.67Å; M391-R393 PolarHBondContact O-N 3.05Å; M391-R393 VanDerWaalsContact O-N 3.13Å; M391-K394 VanDerWaalsContact O-CB 3.24Å; M391-K394 WeakPolarHBondContact O-CB 3.36Å; M391-K394 WeakPolarHBondContact O-CG 3.5Å; M391-K394 PolarHBondContact O-N 2.83Å; M391-A399 HydrophobicContact CE-CB 4.37Å; M391-A399 HydrophobicContact CG-CB 4.26Å; M391-A399 HydrophobicContact SD-CB 3.55Å; M391-A399 VanDerWaalsContact SD-CB 3.55Å; M391-F402 HydrophobicContact CE-CE1 4.41Å; M391-F402 HydrophobicContact CE-CZ 3.96Å; M391-F402 HydrophobicContact SD-CZ 3.73Å
392	L	98.1	Very high	98.4	Very high	36 Å²	36	22.9 Å²	22.9	19%	0.188	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-22	-178	-81	170.6	0	0	0	113.7	L63 I223 L388 K394 L414	L63-L392 HydrophobicContact CD2-CD1 3.41Å; L63-L392 VanDerWaalsContact CD2-CD1 3.41Å; I223-L392 HydrophobicContact CB-CD2 4.29Å; L388-L392 WeakPolarHBondContact O-CB 3.3Å; L388-L392 PolarHBondContact O-N 3.38Å; L392-K394 VanDerWaalsContact C-N 3.27Å; L392-K394 PolarHBondContact O-N 2.92Å; L392-L414 HydrophobicContact CD1-CD1 4.42Å; L392-L414 HydrophobicContact CD2-CD1 3.63Å; L392-L414 HydrophobicContact CG-CD1 4.26Å
393	R	97.8	Very high	98.3	Very high	178 Å²	178	23.3 Å²	23.3	67%	0.672	11%	0.105	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-10.5	174.9	-54.9	178.9	-161.2	-156.8	5.5	112.9	N389 W390 M391	N389-R393 PolarHBondContact ND2-NH2 3.38Å; N389-R393 WeakPolarHBondContact O-CG 3.39Å; N389-R393 PolarHBondContact O-NE 3.01Å; N389-R393 PolarHBondContact OD1-NH2 3.41Å; W390-R393 PolarHBondContact O-N 3.1Å; M391-R393 PolarHBondContact O-N 3.05Å; M391-R393 VanDerWaalsContact O-N 3.13Å
394	K	98.4	Very high	98.1	Very high	51 Å²	51	23.7 Å²	23.7	22%	0.222	11%	0.107	C	C	.	.	S	Bend	trans	-77.1	152.1	178.1	-58.5	-61.2	117.7	171.4	0	110.9	K224 M347 F353 W390 M391 L392 H396	K224-K394 WeakPolarHBondContact CE-O 3.19Å; K224-K394 PolarHBondContact NZ-O 3.3Å; M347-K394 HydrophobicContact CE-CD 4.2Å; F353-K394 HydrophobicContact CD2-CG 4.18Å; F353-K394 HydrophobicContact CE2-CG 4.24Å; W390-K394 HydrophobicContact CE3-CD 3.93Å; W390-K394 VanDerWaalsContact CE3-CE 3.48Å; W390-K394 HydrophobicContact CE3-CG 3.95Å; W390-K394 HydrophobicContact CH2-CD 3.51Å; W390-K394 HydrophobicContact CH2-CG 4.33Å; W390-K394 HydrophobicContact CZ2-CD 4.28Å; W390-K394 HydrophobicContact CZ3-CD 3.28Å; W390-K394 HydrophobicContact CZ3-CG 3.6Å; M391-K394 VanDerWaalsContact O-CB 3.24Å; M391-K394 WeakPolarHBondContact O-CB 3.36Å; M391-K394 WeakPolarHBondContact O-CG 3.5Å; M391-K394 PolarHBondContact O-N 2.83Å; L392-K394 VanDerWaalsContact C-N 3.27Å; L392-K394 PolarHBondContact O-N 2.92Å; K394-H396 VanDerWaalsContact C-N 3.26Å; K394-H396 PolarHBondContact O-N 2.99Å
395	H	98.5	Very high	97.9	Very high	75 Å²	75	27.5 Å²	27.5	35%	0.347	13%	0.127	S	C	.	.			trans	-79.8	-8.7	-174.8	67.3	-162.4	0	0	0	114.1	K232 M347 Q348 A349	K232-H395 WeakPolarHBondContact CE-O 3.45Å; K232-H395 PolarHBondContact NZ-O 3.15Å; M347-H395 PolarHBondContact O-CE1 2.88Å; M347-H395 PolarHBondContact O-NE2 2.79Å; Q348-H395 PolarHBondContact O-CE1 3.4Å; Q348-H395 PolarHBondContact O-NE2 2.88Å; A349-H395 PolarHBondContact O-NE2 3.34Å
396	H	98.9	Very high	97.8	Very high	1 Å²	1	29 Å²	29	1%	0.005	14%	0.136	C	C	.	.			trans	-65.7	155.2	-173.4	-55.1	77.8	0	0	0	110.6	I223 K224 D346 A349 V350 R352 F353 K394	I223-H396 HydrophobicContact CD1-CB 4.13Å; I223-H396 WeakPolarHBondContact CD1-O 3.33Å; I223-H396 VanDerWaalsContact CG1-O 3.28Å; I223-H396 WeakPolarHBondContact CG1-O 3.39Å; K224-H396 WeakPolarHBondContact CG-O 3.26Å; K224-H396 PolarHBondContact NZ-O 3.05Å; D346-H396 PolarHBondContact O-NE2 3.36Å; A349-H396 PolarHBondContact O-CD2 3.13Å; A349-H396 PolarHBondContact O-NE2 2.77Å; V350-H396 CarbonylContact O-C 3.59Å; V350-H396 VanDerWaalsContact O-CA 3.25Å; V350-H396 WeakPolarHBondContact O-CA 3.11Å; R352-H396 PolarHBondContact O-CD2 3.33Å; F353-H396 HydrophobicContact CB-CB 3.88Å; K394-H396 VanDerWaalsContact C-N 3.26Å; K394-H396 PolarHBondContact O-N 2.99Å
397	L	98.9	Very high	97.7	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	13%	0.131	C	C	.	.	S	Bend	trans	-77.5	-43.1	178	-55.7	-176.1	0	0	0	110.4	I214 I223 I229 K232 L233 V290 V350	I214-L397 HydrophobicContact CD1-CD1 3.86Å; I223-L397 WeakPolarHBondContact CG1-O 3.31Å; I223-L397 PolarHBondContact N-O 3.3Å; I229-L397 HydrophobicContact CB-CD2 4.49Å; I229-L397 HydrophobicContact CG1-CB 4.48Å; I229-L397 HydrophobicContact CG1-CD2 4.19Å; I229-L397 HydrophobicContact CG2-CD1 4.23Å; I229-L397 HydrophobicContact CG2-CD2 4.39Å; K232-L397 HydrophobicContact CB-CD2 3.94Å; K232-L397 HydrophobicContact CD-CD2 3.48Å; K232-L397 VanDerWaalsContact CD-CD2 3.48Å; K232-L397 HydrophobicContact CG-CD2 4.36Å; L233-L397 HydrophobicContact CD2-CD1 4.2Å; V290-L397 HydrophobicContact CG2-CD1 3.74Å; V350-L397 HydrophobicContact CB-CG 4.27Å; V350-L397 HydrophobicContact CG2-CD1 4.19Å; V350-L397 HydrophobicContact CG2-CG 4.15Å; V350-L397 PolarHBondContact O-N 3.33Å
398	F	98.9	Very high	97.4	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	163.3	-176.5	-69.1	-96.7	0	0	0	111.6	Y125 I143 I214 L216 F221 P222 I229 R352 F353	Y125-F398 HydrophobicContact CE1-CE2 4.02Å; Y125-F398 AromaticContact CE1-CZ 3.71Å; Y125-F398 HydrophobicContact CE1-CZ 3.71Å; I143-F398 HydrophobicContact CG2-CE1 3.65Å; I143-F398 HydrophobicContact CG2-CZ 3.83Å; I214-F398 HydrophobicContact CD1-CE2 4.26Å; I214-F398 HydrophobicContact CG2-CD2 4.22Å; I214-F398 HydrophobicContact CG2-CE2 3.96Å; L216-F398 HydrophobicContact CD1-CE1 3.9Å; L216-F398 HydrophobicContact CD1-CZ 4.12Å; L216-F398 HydrophobicContact CD2-CD1 3.59Å; L216-F398 HydrophobicContact CD2-CD2 3.97Å; L216-F398 HydrophobicContact CD2-CE1 3.64Å; L216-F398 HydrophobicContact CD2-CE2 4.04Å; L216-F398 HydrophobicContact CD2-CG 3.8Å; L216-F398 HydrophobicContact CD2-CZ 3.9Å; L216-F398 HydrophobicContact CG-CE1 4.47Å; F221-F398 WeakPolarHBondContact O-CA 3.47Å; P222-F398 VanDerWaalsContact CA-CD1 3.45Å; P222-F398 HydrophobicContact CB-CD1 3.99Å; P222-F398 HydrophobicContact CB-CE1 3.7Å; P222-F398 HydrophobicContact CB-CZ 4.27Å; P222-F398 HydrophobicContact CG-CE1 4.33Å; I229-F398 HydrophobicContact CD1-CE2 4.09Å; I229-F398 HydrophobicContact CD1-CZ 4.2Å; R352-F398 CarbonylContact C-O 3.58Å; R352-F398 WeakPolarHBondContact CA-O 3.5Å; R352-F398 VanDerWaalsContact NH1-CG 3.34Å; F353-F398 PolarHBondContact N-O 3.49Å
399	A	98.9	Very high	97.3	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	152.6	173	0	0	0	0	0	112	F221 I223 F353 F383 M391 F402	F221-A399 PolarHBondContact N-O 3.03Å; F221-A399 PolarHBondContact O-N 2.71Å; I223-A399 HydrophobicContact CG2-CB 3.89Å; F353-A399 HydrophobicContact CB-CB 4.07Å; F353-A399 HydrophobicContact CD1-CB 4.09Å; F353-A399 CarbonylContact O-C 3.49Å; F353-A399 VanDerWaalsContact O-CA 3.24Å; F353-A399 WeakPolarHBondContact O-CA 3.39Å; F383-A399 HydrophobicContact CE2-CB 3.73Å; F383-A399 HydrophobicContact CZ-CB 4.31Å; M391-A399 HydrophobicContact CE-CB 4.37Å; M391-A399 HydrophobicContact CG-CB 4.26Å; M391-A399 HydrophobicContact SD-CB 3.55Å; M391-A399 VanDerWaalsContact SD-CB 3.55Å; A399-F402 HydrophobicContact CB-CE2 3.87Å; A399-F402 HydrophobicContact CB-CZ 4.25Å
400	N	98.8	Very high	97.3	Very high	5 Å²	5	27.2 Å²	27.2	3%	0.027	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	130.6	178.5	-165.4	-113.7	0	0	0	109.7	C217 D220 R352 F353 V354 F383	C217-N400 PolarHBondContact SG-ND2 3.11Å; D220-N400 VanDerWaalsContact OD1-CB 3.23Å; D220-N400 WeakPolarHBondContact OD1-CB 3.47Å; D220-N400 PolarHBondContact OD1-ND2 3.18Å; R352-N400 HydrophobicContact CG-CB 3.87Å; F353-N400 PolarHBondContact O-N 2.82Å; V354-N400 HydrophobicContact CG2-CB 4.02Å; F383-N400 WeakPolarHBondContact CE2-O 3.38Å; F383-N400 VanDerWaalsContact CZ-O 3.23Å; F383-N400 WeakPolarHBondContact CZ-O 3.46Å
401	K	98.3	Very high	97.3	Very high	24 Å²	24	24.8 Å²	24.8	10%	0.104	11%	0.114	C	C	.	.			cis	-118.3	153	9.7	-67.3	170.5	-177.6	165.9	0	112.5	M219 V380 C381 I382 F383	M219-K401 HydrophobicContact CB-CB 4.29Å; M219-K401 HydrophobicContact CB-CG 4.35Å; M219-K401 HydrophobicContact CE-CD 3.69Å; M219-K401 HydrophobicContact CE-CG 4.21Å; M219-K401 HydrophobicContact SD-CD 4.38Å; V380-K401 HydrophobicContact CB-CD 4.38Å; V380-K401 HydrophobicContact CG1-CD 3.89Å; V380-K401 HydrophobicContact CG1-CG 4.06Å; C381-K401 PolarHBondContact O-N 2.62Å; I382-K401 CarbonylContact C-O 3.44Å; I382-K401 WeakPolarHBondContact CA-O 3.47Å; I382-K401 HydrophobicContact CG1-CB 4.11Å; F383-K401 WeakPolarHBondContact CD2-O 3.26Å; F383-K401 PolarHBondContact N-O 3.27Å
402	F	98.6	Very high	97.1	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	12%	0.118	C	C	.	.			trans	-119.7	144.7	167.6	-64.7	-90.1	0	0	0	110.8	M135 M219 F221 F383 L388 M391 A399 A410 I411 L414	M135-F402 HydrophobicContact CE-CB 4.16Å; M135-F402 WeakPolarHBondContact CE-O 3.35Å; M219-F402 PolarHBondContact O-N 3.34Å; F221-F402 HydrophobicContact CB-CD2 3.39Å; F221-F402 HydrophobicContact CB-CE2 3.51Å; F221-F402 HydrophobicContact CB-CG 4Å; F221-F402 HydrophobicContact CB-CZ 4.22Å; F383-F402 HydrophobicContact CB-CD1 4.16Å; F383-F402 HydrophobicContact CB-CE1 3.93Å; F383-F402 HydrophobicContact CB-CZ 4.49Å; F383-F402 HydrophobicContact CD2-CD1 4.21Å; F383-F402 HydrophobicContact CD2-CD2 4.08Å; F383-F402 AromaticContact CD2-CE1 3.84Å; F383-F402 HydrophobicContact CD2-CE1 3.84Å; F383-F402 AromaticContact CD2-CE2 3.71Å; F383-F402 HydrophobicContact CD2-CE2 3.71Å; F383-F402 HydrophobicContact CD2-CG 4.33Å; F383-F402 AromaticContact CD2-CZ 3.59Å; F383-F402 HydrophobicContact CD2-CZ 3.59Å; F383-F402 HydrophobicContact CE2-CE2 4.09Å; F383-F402 HydrophobicContact CE2-CZ 4.23Å; F383-F402 HydrophobicContact CG-CE1 4.31Å; F383-F402 HydrophobicContact CG-CZ 4.39Å; L388-F402 HydrophobicContact CD2-CE1 4.25Å; M391-F402 HydrophobicContact CE-CE1 4.41Å; M391-F402 HydrophobicContact CE-CZ 3.96Å; M391-F402 HydrophobicContact SD-CZ 3.73Å; A399-F402 HydrophobicContact CB-CE2 3.87Å; A399-F402 HydrophobicContact CB-CZ 4.25Å; F402-A410 HydrophobicContact CD1-CB 4.4Å; F402-I411 HydrophobicContact CB-CD1 4.07Å; F402-I411 HydrophobicContact CB-CG1 3.8Å; F402-I411 HydrophobicContact CD1-CG1 3.98Å; F402-I411 HydrophobicContact CG-CG1 4.23Å; F402-L414 HydrophobicContact CE1-CD2 3.95Å; F402-L414 HydrophobicContact CE2-CD2 4.4Å; F402-L414 HydrophobicContact CZ-CD2 3.63Å
403	D	97.4	Very high	97	Very high	18 Å²	18	23.8 Å²	23.8	10%	0.096	11%	0.109	C	C	.	.			trans	-149.3	122.9	176.8	-164.4	-24.2	0	0	0	111	K132 I382 D405 V406 D407	K132-D403 IonicContact NZ-OD1 3.7Å; K132-D403 PolarHBondContact NZ-OD1 3.12Å; K132-D403 IonicContact NZ-OD2 3.02Å; K132-D403 PolarHBondContact NZ-OD2 3.2Å; I382-D403 HydrophobicContact CG2-CB 3.69Å; D403-D405 PolarHBondContact O-N 3.08Å; D403-D405 WeakPolarHBondContact OD1-CB 3.49Å; D403-D405 PolarHBondContact OD1-N 2.93Å; D403-V406 HydrophobicContact CB-CB 4.18Å; D403-V406 HydrophobicContact CB-CG2 4Å; D403-V406 PolarHBondContact O-N 2.99Å; D403-D407 PolarHBondContact O-N 2.78Å
404	V	94.1	Very high	97.1	Very high	8 Å²	8	15.3 Å²	15.3	5%	0.048	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-20.3	175.8	-68.8	0	0	0	0	113.9	R85 M135 V406 L408 I411	R85-V404 PolarHBondContact NH2-O 2.83Å; M135-V404 HydrophobicContact CG-CG1 4.18Å; M135-V404 HydrophobicContact CG-CG2 4.12Å; M135-V404 HydrophobicContact SD-CG1 3.62Å; V404-V406 VanDerWaalsContact C-N 3.34Å; V404-L408 HydrophobicContact CB-CD1 4.07Å; V404-L408 HydrophobicContact CG1-CD1 3.56Å; V404-I411 HydrophobicContact CB-CD1 4.42Å; V404-I411 HydrophobicContact CG1-CD1 3.56Å
405	D	93.3	Very high	97	Very high	79 Å²	79	13.1 Å²	13.1	42%	0.422	7%	0.067	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-16	176.1	-62.1	-37.4	0	0	0	112.2	R87 K132 D403	R87-D405 IonicContact NH1-OD1 3.26Å; R87-D405 PolarHBondContact NH1-OD1 2.76Å; R87-D405 IonicContact NH1-OD2 2.66Å; K132-D405 WeakPolarHBondContact CE-OD2 3.42Å; K132-D405 IonicContact NZ-OD2 3.61Å; K132-D405 PolarHBondContact NZ-OD2 2.94Å; D403-D405 PolarHBondContact O-N 3.08Å; D403-D405 WeakPolarHBondContact OD1-CB 3.49Å; D403-D405 PolarHBondContact OD1-N 2.93Å
406	V	95.1	Very high	96.9	Very high	33 Å²	33	11.2 Å²	11.2	20%	0.2	6%	0.059	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.4	-59.1	174.5	174.2	0	0	0	0	110.2	V375 I382 D403 V404	V375-V406 HydrophobicContact CG1-CG1 4.34Å; V375-V406 HydrophobicContact CG2-CB 4.46Å; V375-V406 HydrophobicContact CG2-CG1 3.76Å; V375-V406 HydrophobicContact CG2-CG2 3.79Å; I382-V406 HydrophobicContact CB-CG1 4.34Å; I382-V406 HydrophobicContact CB-CG2 4.35Å; I382-V406 HydrophobicContact CD1-CG2 4.02Å; I382-V406 HydrophobicContact CG2-CB 3.8Å; I382-V406 HydrophobicContact CG2-CG1 3.9Å; I382-V406 HydrophobicContact CG2-CG2 3.83Å; D403-V406 HydrophobicContact CB-CB 4.18Å; D403-V406 HydrophobicContact CB-CG2 4Å; D403-V406 PolarHBondContact O-N 2.99Å; V404-V406 VanDerWaalsContact C-N 3.34Å
407	D	95.6	Very high	96.8	Very high	8 Å²	8	13.9 Å²	13.9	4%	0.043	7%	0.071	C	C	.	.			trans	-150.3	98.6	-178.8	-166.2	-31.5	0	0	0	110.8	I77 G384 A385 D403 F409 A410	I77-D407 HydrophobicContact CD1-CB 4.05Å; I77-D407 VanDerWaalsContact CD1-CG 3.41Å; I77-D407 WeakPolarHBondContact CD1-OD2 3.37Å; G384-D407 VanDerWaalsContact CA-OD2 3.25Å; G384-D407 WeakPolarHBondContact CA-OD2 3.46Å; A385-D407 PolarHBondContact N-OD2 3.46Å; D403-D407 PolarHBondContact O-N 2.78Å; D407-F409 VanDerWaalsContact C-N 3.28Å; D407-F409 PolarHBondContact O-N 2.95Å; D407-F409 WeakPolarHBondContact OD1-CA 3.38Å; D407-F409 WeakPolarHBondContact OD1-CB 3.46Å; D407-F409 PolarHBondContact OD1-N 3.47Å; D407-A410 HydrophobicContact CB-CB 4.1Å; D407-A410 PolarHBondContact OD1-N 2.92Å
408	L	94.3	Very high	96.8	Very high	3 Å²	3	14.4 Å²	14.4	2%	0.016	7%	0.073	C	C	.	.	H	α-helix	trans	-65.1	-32.5	174.5	-178.9	63.1	0	0	0	112.2	F82 V404 I411 Q412	F82-L408 HydrophobicContact CE2-CB 4.19Å; F82-L408 HydrophobicContact CE2-CD2 4Å; F82-L408 HydrophobicContact CZ-CB 3.67Å; F82-L408 HydrophobicContact CZ-CD2 4.18Å; V404-L408 HydrophobicContact CB-CD1 4.07Å; V404-L408 HydrophobicContact CG1-CD1 3.56Å; L408-I411 PolarHBondContact O-N 3.26Å; L408-Q412 WeakPolarHBondContact O-CB 3.14Å; L408-Q412 PolarHBondContact O-N 2.77Å
409	F	95.6	Very high	96.7	Very high	1 Å²	1	14.9 Å²	14.9	0%	0.004	8%	0.075	C	C	.	.	H	α-helix	trans	-74.1	-31.1	-173.5	-62.5	-69.9	0	0	0	111.5	S55 I57 V73 E76 I77 F82 D407 I411 Q412 C413	S55-F409 VanDerWaalsContact CB-CE1 3.5Å; S55-F409 WeakPolarHBondContact OG-CE1 3.21Å; I57-F409 HydrophobicContact CB-CD1 4.19Å; I57-F409 HydrophobicContact CB-CE1 4.23Å; I57-F409 HydrophobicContact CG1-CD1 3.97Å; I57-F409 HydrophobicContact CG1-CE1 3.71Å; I57-F409 HydrophobicContact CG1-CZ 3.99Å; I57-F409 HydrophobicContact CG2-CD1 4.24Å; V73-F409 HydrophobicContact CG1-CB 3.79Å; V73-F409 HydrophobicContact CG1-CD2 3.65Å; V73-F409 HydrophobicContact CG1-CG 4.01Å; V73-F409 HydrophobicContact CG2-CB 4.29Å; V73-F409 HydrophobicContact CG2-CG 4.4Å; E76-F409 HydrophobicContact CB-CE2 4.14Å; E76-F409 HydrophobicContact CB-CZ 4.41Å; E76-F409 HydrophobicContact CG-CE2 3.88Å; E76-F409 HydrophobicContact CG-CZ 3.73Å; I77-F409 HydrophobicContact CD1-CD2 4.06Å; I77-F409 HydrophobicContact CG1-CD2 3.73Å; I77-F409 HydrophobicContact CG1-CE2 3.84Å; F82-F409 HydrophobicContact CD2-CE2 4Å; F82-F409 HydrophobicContact CD2-CZ 4Å; F82-F409 HydrophobicContact CE2-CD2 4.3Å; F82-F409 AromaticContact CE2-CE2 3.46Å; F82-F409 HydrophobicContact CE2-CE2 3.46Å; F82-F409 VanDerWaalsContact CE2-CE2 3.46Å; F82-F409 AromaticContact CE2-CZ 3.61Å; F82-F409 HydrophobicContact CE2-CZ 3.61Å; F82-F409 HydrophobicContact CZ-CD2 4.45Å; F82-F409 AromaticContact CZ-CE2 3.96Å; F82-F409 HydrophobicContact CZ-CE2 3.96Å; F82-F409 HydrophobicContact CZ-CZ 4.5Å; D407-F409 VanDerWaalsContact C-N 3.28Å; D407-F409 PolarHBondContact O-N 2.95Å; D407-F409 WeakPolarHBondContact OD1-CA 3.38Å; D407-F409 WeakPolarHBondContact OD1-CB 3.46Å; D407-F409 PolarHBondContact OD1-N 3.47Å; F409-I411 VanDerWaalsContact C-N 3.28Å; F409-I411 PolarHBondContact O-N 2.78Å; F409-Q412 PolarHBondContact O-N 3.24Å; F409-C413 VanDerWaalsContact O-CB 3.29Å; F409-C413 WeakPolarHBondContact O-CB 2.77Å; F409-C413 PolarHBondContact O-N 2.8Å; F409-C413 PolarHBondContact O-SG 3.32Å; F409-C413 VanDerWaalsContact O-SG 3.33Å
410	A	97.5	Very high	96.5	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-54.1	-47.6	168.7	0	0	0	0	0	111.3	L388 F402 D407 L414	L388-A410 WeakPolarHBondContact CD1-O 3.42Å; F402-A410 HydrophobicContact CD1-CB 4.4Å; D407-A410 HydrophobicContact CB-CB 4.1Å; D407-A410 PolarHBondContact OD1-N 2.92Å; A410-L414 VanDerWaalsContact O-CB 3.22Å; A410-L414 WeakPolarHBondContact O-CB 3.18Å; A410-L414 PolarHBondContact O-N 2.85Å
411	I	96.9	Very high	96.4	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-72.3	-46.5	179.3	-60.9	156.9	0	0	0	110.6	M135 F221 F402 V404 L408 F409 L414 D415	M135-I411 HydrophobicContact CE-CD1 4.09Å; M135-I411 HydrophobicContact SD-CD1 3.52Å; M135-I411 VanDerWaalsContact SD-CD1 3.52Å; F221-I411 HydrophobicContact CD2-CG2 4.16Å; F221-I411 HydrophobicContact CE1-CG2 4.47Å; F221-I411 HydrophobicContact CE2-CG2 3.73Å; F221-I411 HydrophobicContact CZ-CG2 3.9Å; F402-I411 HydrophobicContact CB-CD1 4.07Å; F402-I411 HydrophobicContact CB-CG1 3.8Å; F402-I411 HydrophobicContact CD1-CG1 3.98Å; F402-I411 HydrophobicContact CG-CG1 4.23Å; V404-I411 HydrophobicContact CB-CD1 4.42Å; V404-I411 HydrophobicContact CG1-CD1 3.56Å; L408-I411 PolarHBondContact O-N 3.26Å; F409-I411 VanDerWaalsContact C-N 3.28Å; F409-I411 PolarHBondContact O-N 2.78Å; I411-L414 PolarHBondContact O-N 3.39Å; I411-D415 VanDerWaalsContact O-CB 3.25Å; I411-D415 WeakPolarHBondContact O-CB 3.28Å; I411-D415 PolarHBondContact O-N 3.46Å
412	Q	95.5	Very high	96.3	Very high	16 Å²	16	20.8 Å²	20.8	8%	0.075	10%	0.104	C	C	.	.	H	α-helix	trans	-60.3	-50	-177.8	-179	178.5	-11.6	0	0	111.8	L408 F409 L414 D415 E416	L408-Q412 WeakPolarHBondContact O-CB 3.14Å; L408-Q412 PolarHBondContact O-N 2.77Å; F409-Q412 PolarHBondContact O-N 3.24Å; Q412-L414 VanDerWaalsContact C-N 3.3Å; Q412-L414 PolarHBondContact O-N 3.46Å; Q412-D415 PolarHBondContact O-N 2.86Å; Q412-E416 HydrophobicContact CG-CG 4.43Å; Q412-E416 VanDerWaalsContact CG-OE1 3.25Å; Q412-E416 WeakPolarHBondContact CG-OE1 3.41Å; Q412-E416 PolarHBondContact NE2-OE1 3.02Å; Q412-E416 WeakPolarHBondContact O-CB 3.37Å; Q412-E416 WeakPolarHBondContact O-CG 3.15Å; Q412-E416 PolarHBondContact O-N 2.97Å
413	C	96.8	Very high	96	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-67.2	-33.5	-178.8	-65.2	0	0	0	0	112.6	C59 L388 F409 H417	C59-C413 WeakPolarHBondContact CA-SG 3.35Å; C59-C413 HydrophobicContact CB-CB 3.5Å; C59-C413 VanDerWaalsContact CB-CB 3.5Å; C59-C413 WeakPolarHBondContact CB-SG 3.47Å; C59-C413 WeakPolarHBondContact SG-CA 3.41Å; C59-C413 WeakPolarHBondContact SG-CB 3.23Å; C59-C413 CovalentContact SG-SG 2.05Å; C59-C413 PolarHBondContact SG-SG 2.89Å; L388-C413 HydrophobicContact CD1-CB 3.92Å; F409-C413 VanDerWaalsContact O-CB 3.29Å; F409-C413 WeakPolarHBondContact O-CB 2.77Å; F409-C413 PolarHBondContact O-N 2.8Å; F409-C413 PolarHBondContact O-SG 3.32Å; F409-C413 VanDerWaalsContact O-SG 3.33Å; C413-H417 WeakPolarHBondContact O-CB 3.44Å; C413-H417 PolarHBondContact O-N 3.42Å
414	L	97.9	Very high	95.5	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-69.4	-43.8	174.5	-175.7	55.8	0	0	0	111.8	F221 P222 I223 L388 L392 F402 A410 I411 Q412 H417 L418	F221-L414 HydrophobicContact CB-CD2 4.41Å; F221-L414 HydrophobicContact CD1-CB 4.46Å; F221-L414 HydrophobicContact CD1-CD2 3.64Å; F221-L414 HydrophobicContact CD1-CG 3.88Å; F221-L414 HydrophobicContact CE1-CD2 4.44Å; F221-L414 HydrophobicContact CE1-CG 4.23Å; F221-L414 HydrophobicContact CG-CD2 4.43Å; P222-L414 WeakPolarHBondContact O-CD2 3.41Å; I223-L414 HydrophobicContact CG2-CD1 4.39Å; I223-L414 HydrophobicContact CG2-CD2 4.03Å; L388-L414 HydrophobicContact CD2-CB 4.25Å; L388-L414 HydrophobicContact CD2-CD2 4.25Å; L392-L414 HydrophobicContact CD1-CD1 4.42Å; L392-L414 HydrophobicContact CD2-CD1 3.63Å; L392-L414 HydrophobicContact CG-CD1 4.26Å; F402-L414 HydrophobicContact CE1-CD2 3.95Å; F402-L414 HydrophobicContact CE2-CD2 4.4Å; F402-L414 HydrophobicContact CZ-CD2 3.63Å; A410-L414 VanDerWaalsContact O-CB 3.22Å; A410-L414 WeakPolarHBondContact O-CB 3.18Å; A410-L414 PolarHBondContact O-N 2.85Å; I411-L414 PolarHBondContact O-N 3.39Å; Q412-L414 VanDerWaalsContact C-N 3.3Å; Q412-L414 PolarHBondContact O-N 3.46Å; L414-H417 PolarHBondContact O-N 2.66Å; L414-L418 HydrophobicContact CD1-CD1 4.12Å; L414-L418 HydrophobicContact CD1-CG 4.22Å; L414-L418 HydrophobicContact CG-CD1 4.27Å; L414-L418 VanDerWaalsContact O-CG 3.32Å; L414-L418 WeakPolarHBondContact O-CG 3.23Å; L414-L418 PolarHBondContact O-N 2.83Å
415	D	97.4	Very high	94.7	Very high	4 Å²	4	27 Å²	27	2%	0.021	14%	0.136	C	C	.	.	H	α-helix	trans	-64	-47.6	177.7	-165.2	16.4	0	0	0	111.5	L48 R141 F221 I411 Q412 H417 L418 R419	L48-D415 HydrophobicContact CD1-CB 4.16Å; L48-D415 VanDerWaalsContact CD1-OD1 3.28Å; L48-D415 WeakPolarHBondContact CD1-OD1 3.42Å; L48-D415 VanDerWaalsContact CD1-OD2 3.32Å; L48-D415 WeakPolarHBondContact CD1-OD2 3.16Å; R141-D415 IonicContact CZ-OD2 3.67Å; R141-D415 IonicContact NE-OD2 2.79Å; R141-D415 IonicContact NH2-OD2 3.9Å; R141-D415 PolarHBondContact NH2-OD2 2.93Å; F221-D415 HydrophobicContact CE1-CB 3.97Å; F221-D415 HydrophobicContact CZ-CB 3.84Å; I411-D415 VanDerWaalsContact O-CB 3.25Å; I411-D415 WeakPolarHBondContact O-CB 3.28Å; I411-D415 PolarHBondContact O-N 3.46Å; Q412-D415 PolarHBondContact O-N 2.86Å; D415-H417 VanDerWaalsContact C-N 3.35Å; D415-H417 PolarHBondContact O-N 3.26Å; D415-L418 PolarHBondContact O-N 2.99Å; D415-R419 VanDerWaalsContact O-CB 3.31Å; D415-R419 WeakPolarHBondContact O-CB 3.49Å; D415-R419 PolarHBondContact O-N 3.34Å
416	E	96.1	Very high	93.8	Very high	36 Å²	36	26.6 Å²	26.6	17%	0.168	13%	0.134	C	C	.	.	H	α-helix	trans	-58.7	-45	174.6	-73.6	179.9	-157.3	0	0	111.7	L48 Q412 H420	L48-E416 HydrophobicContact CB-CG 3.93Å; Q412-E416 HydrophobicContact CG-CG 4.43Å; Q412-E416 VanDerWaalsContact CG-OE1 3.25Å; Q412-E416 WeakPolarHBondContact CG-OE1 3.41Å; Q412-E416 PolarHBondContact NE2-OE1 3.02Å; Q412-E416 WeakPolarHBondContact O-CB 3.37Å; Q412-E416 WeakPolarHBondContact O-CG 3.15Å; Q412-E416 PolarHBondContact O-N 2.97Å; E416-H420 VanDerWaalsContact O-CB 3.28Å; E416-H420 WeakPolarHBondContact O-CB 3.28Å; E416-H420 PolarHBondContact O-N 3.26Å
417	H	96.9	Very high	92.3	Very high	57 Å²	57	29.5 Å²	29.5	26%	0.264	14%	0.144	S	C	.	.	H	α-helix	trans	-60.7	-50.9	178.2	176.4	62.5	0	0	0	112.5	L63 C413 L414 D415 H420 K421	L63-H417 HydrophobicContact CD1-CB 3.66Å; L63-H417 HydrophobicContact CD2-CB 4.32Å; C413-H417 WeakPolarHBondContact O-CB 3.44Å; C413-H417 PolarHBondContact O-N 3.42Å; L414-H417 PolarHBondContact O-N 2.66Å; D415-H417 VanDerWaalsContact C-N 3.35Å; D415-H417 PolarHBondContact O-N 3.26Å; H417-H420 PolarHBondContact O-N 2.83Å; H417-K421 WeakPolarHBondContact O-CB 3.37Å; H417-K421 PolarHBondContact O-N 2.75Å
418	L	97.9	Very high	90.1	Very high	10 Å²	10	39.9 Å²	39.9	5%	0.052	19%	0.192	C	C	.	.	H	α-helix	trans	-67.9	-38.3	-177.5	-67.8	179.1	0	0	0	111.6	P222 T225 L414 D415 A422	P222-L418 HydrophobicContact CB-CD1 4.07Å; P222-L418 HydrophobicContact CG-CD1 3.95Å; P222-L418 WeakPolarHBondContact O-CD1 3.25Å; T225-L418 HydrophobicContact CG2-CD2 4.14Å; L414-L418 HydrophobicContact CD1-CD1 4.12Å; L414-L418 HydrophobicContact CD1-CG 4.22Å; L414-L418 HydrophobicContact CG-CD1 4.27Å; L414-L418 VanDerWaalsContact O-CG 3.32Å; L414-L418 WeakPolarHBondContact O-CG 3.23Å; L414-L418 PolarHBondContact O-N 2.83Å; D415-L418 PolarHBondContact O-N 2.99Å; L418-A422 VanDerWaalsContact O-CB 3.3Å; L418-A422 WeakPolarHBondContact O-CB 3.33Å; L418-A422 PolarHBondContact O-N 3.45Å
419	R	97.1	Very high	89.9	Confident	10 Å²	10	41.8 Å²	41.8	4%	0.038	20%	0.201	C	C	.	.	H	α-helix	trans	-59.2	-55.2	173	179.4	64.3	55.6	98.4	-11.1	110.8	L46 L48 K108 D415 K421 A422 L423	L46-R419 WeakPolarHBondContact O-CD 3.48Å; L46-R419 WeakPolarHBondContact O-CG 3.26Å; L46-R419 PolarHBondContact O-NH1 2.85Å; L48-R419 HydrophobicContact CD1-CB 3.94Å; L48-R419 HydrophobicContact CD1-CG 4.35Å; L48-R419 HydrophobicContact CG-CB 4.05Å; L48-R419 HydrophobicContact CG-CG 3.96Å; K108-R419 PolarHBondContact O-NH1 2.89Å; K108-R419 PolarHBondContact O-NH2 3.34Å; D415-R419 VanDerWaalsContact O-CB 3.31Å; D415-R419 WeakPolarHBondContact O-CB 3.49Å; D415-R419 PolarHBondContact O-N 3.34Å; R419-K421 VanDerWaalsContact C-N 3.32Å; R419-K421 PolarHBondContact O-N 3.41Å; R419-A422 PolarHBondContact O-N 3.16Å; R419-A422 VanDerWaalsContact O-N 3.15Å; R419-L423 HydrophobicContact CG-CD1 3.92Å; R419-L423 HydrophobicContact CG-CG 4.4Å; R419-L423 WeakPolarHBondContact O-CG 3.3Å; R419-L423 PolarHBondContact O-N 3.36Å
420	H	95.4	Very high	89.6	Confident	72 Å²	72	43.9 Å²	43.9	33%	0.333	21%	0.211	S	C	.	.	H	α-helix	trans	-57.8	-48.7	-176.9	-176.6	63.8	0	0	0	110.7	E47 E416 H417 A422 L423 E424	E47-H420 IonicContact OE1-CE1 2.99Å; E47-H420 IonicContact OE1-CG 3.88Å; E47-H420 IonicContact OE1-ND1 3.3Å; E47-H420 PolarHBondContact OE1-ND1 2.9Å; E47-H420 IonicContact OE2-ND1 3.1Å; E416-H420 VanDerWaalsContact O-CB 3.28Å; E416-H420 WeakPolarHBondContact O-CB 3.28Å; E416-H420 PolarHBondContact O-N 3.26Å; H417-H420 PolarHBondContact O-N 2.83Å; H420-A422 VanDerWaalsContact C-N 3.29Å; H420-A422 PolarHBondContact O-N 3.45Å; H420-L423 PolarHBondContact O-N 3Å; H420-L423 VanDerWaalsContact O-N 3.1Å; H420-E424 IonicContact CD2-OE1 3.14Å; H420-E424 IonicContact CE1-OE1 3.61Å; H420-E424 IonicContact NE2-OE1 3.24Å; H420-E424 PolarHBondContact NE2-OE1 2.98Å; H420-E424 IonicContact NE2-OE2 3.33Å; H420-E424 WeakPolarHBondContact O-CG 3.32Å; H420-E424 PolarHBondContact O-N 3.39Å
421	K	96.1	Very high	89.2	Confident	71 Å²	71	46.3 Å²	46.3	31%	0.309	22%	0.223	S	C	.	.	H	α-helix	trans	-59.3	-36.5	178.2	-172.4	178.3	179.8	-169.2	0	113.2	T225 E228 H417 R419	T225-K421 HydrophobicContact CG2-CB 4.09Å; T225-K421 HydrophobicContact CG2-CD 4.05Å; T225-K421 HydrophobicContact CG2-CG 4.05Å; E228-K421 WeakPolarHBondContact OE1-CE 3.1Å; E228-K421 IonicContact OE1-NZ 3.12Å; E228-K421 PolarHBondContact OE1-NZ 3.4Å; E228-K421 IonicContact OE2-NZ 2.85Å; E228-K421 PolarHBondContact OE2-NZ 3.44Å; H417-K421 WeakPolarHBondContact O-CB 3.37Å; H417-K421 PolarHBondContact O-N 2.75Å; R419-K421 VanDerWaalsContact C-N 3.32Å; R419-K421 PolarHBondContact O-N 3.41Å
422	A	96	Very high	88.7	Confident	11 Å²	11	49.1 Å²	49.1	9%	0.091	24%	0.236	C	C	.	.	H	α-helix	trans	-73.4	-33.2	176.5	0	0	0	0	0	112.8	L114 T225 L418 R419 H420 T425	L114-A422 HydrophobicContact CD1-CB 3.88Å; T225-A422 HydrophobicContact CG2-CB 4.03Å; L418-A422 VanDerWaalsContact O-CB 3.3Å; L418-A422 WeakPolarHBondContact O-CB 3.33Å; L418-A422 PolarHBondContact O-N 3.45Å; R419-A422 PolarHBondContact O-N 3.16Å; R419-A422 VanDerWaalsContact O-N 3.15Å; H420-A422 VanDerWaalsContact C-N 3.29Å; H420-A422 PolarHBondContact O-N 3.45Å; A422-T425 PolarHBondContact O-OG1 3.4Å
423	L	93.9	Very high	88.3	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-83.5	-25.1	179.5	-63.1	-179.9	0	0	0	113	V43 L46 E47 I110 L114 R419 H420 T425 L426	V43-L423 HydrophobicContact CB-CD2 4.17Å; V43-L423 HydrophobicContact CG2-CB 4.3Å; L46-L423 HydrophobicContact CB-CD1 3.78Å; L46-L423 HydrophobicContact CB-CD2 4.41Å; L46-L423 HydrophobicContact CD1-CD2 4.27Å; E47-L423 HydrophobicContact CG-CD1 4.13Å; I110-L423 HydrophobicContact CD1-CD2 4.26Å; L114-L423 HydrophobicContact CD2-CD2 4.13Å; R419-L423 HydrophobicContact CG-CD1 3.92Å; R419-L423 HydrophobicContact CG-CG 4.4Å; R419-L423 WeakPolarHBondContact O-CG 3.3Å; R419-L423 PolarHBondContact O-N 3.36Å; H420-L423 PolarHBondContact O-N 3Å; H420-L423 VanDerWaalsContact O-N 3.1Å; L423-T425 PolarHBondContact O-N 3.11Å; L423-L426 WeakPolarHBondContact O-CB 3.24Å; L423-L426 PolarHBondContact O-N 3.31Å
424	E	87	Confident	87.7	Confident	88 Å²	88	54.5 Å²	54.5	41%	0.411	26%	0.262	S	S	.	.	H	α-helix	trans	-62	-30.1	176	-80.8	-167.1	138.9	0	0	112.9	H420 L426 K427	H420-E424 IonicContact CD2-OE1 3.14Å; H420-E424 IonicContact CE1-OE1 3.61Å; H420-E424 IonicContact NE2-OE1 3.24Å; H420-E424 PolarHBondContact NE2-OE1 2.98Å; H420-E424 IonicContact NE2-OE2 3.33Å; H420-E424 WeakPolarHBondContact O-CG 3.32Å; H420-E424 PolarHBondContact O-N 3.39Å; E424-L426 PolarHBondContact O-N 3.44Å; E424-L426 VanDerWaalsContact O-N 3.11Å; E424-K427 PolarHBondContact O-N 3.46Å; E424-K427 VanDerWaalsContact O-N 3.08Å
425	T	75.5	Confident	87	Confident	68 Å²	68	58.4 Å²	58.4	42%	0.417	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-12.4	177.8	60.7	0	0	0	0	113.4	L227 A422 L423	L227-T425 HydrophobicContact CD2-CG2 4.33Å; A422-T425 PolarHBondContact O-OG1 3.4Å; L423-T425 PolarHBondContact O-N 3.11Å
426	L	75.3	Confident	86.2	Confident	71 Å²	71	62.6 Å²	62.6	37%	0.372	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.6	-10.7	176	-67.5	177.4	0	0	0	113.8	V43 L114 L423 E424 H428	V43-L426 HydrophobicContact CG1-CD1 3.72Å; L114-L426 HydrophobicContact CD2-CD1 3.72Å; L114-L426 WeakPolarHBondContact O-CD2 3.37Å; L423-L426 WeakPolarHBondContact O-CB 3.24Å; L423-L426 PolarHBondContact O-N 3.31Å; E424-L426 PolarHBondContact O-N 3.44Å; E424-L426 VanDerWaalsContact O-N 3.11Å; L426-H428 VanDerWaalsContact C-N 3.29Å
427	K	64.7	Low	85.4	Confident	94 Å²	94	64.8 Å²	64.8	41%	0.409	31%	0.312	S	S	.	.			trans	-83.8	-7.6	-178.2	-65.1	176.4	-173.1	160.5	0	112.9	E424	E424-K427 PolarHBondContact O-N 3.46Å; E424-K427 VanDerWaalsContact O-N 3.08Å
428	H	48.6	Very low	84.3	Confident	226 Å²	226	65.5 Å²	65.5	100%	1.046	32%	0.316	S	S	*	.			trans	-125.1	0	-179.8	-62.9	-59.3	0	0	0	109	L426	L426-H428 VanDerWaalsContact C-N 3.29Å

Retrieved 428 of 428 residues in 219.4 ms (Link to these results)

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