A0A077YXS1_TRITR Loading...

Methyltransf 21 domain containing protein

AlphaFold DB , UniProt , Accession A0A077YXS1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 317 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	32	Very low	30.9	Very low	247 Å²	247	165.9 Å²	165.9	100%	1.217	87%	0.868	S	S	*	*				0	124.4	0	-74.1	162	89.9	0	0	107.9	G3	M1-G3 PolarHBondContact O-N 3.02Å
2	K	31.7	Very low	31	Very low	218 Å²	218	165.4 Å²	165.4	95%	0.948	86%	0.864	S	S	*	*			trans	-69.8	119.7	-167	-70.1	176.3	175.5	177.4	0	111.1
3	G	32.4	Very low	31.2	Very low	75 Å²	75	161.8 Å²	161.8	77%	0.773	85%	0.853	S	S	*	*			trans	-105.9	113.9	170.4	0	0	0	0	0	110.1	M1	M1-G3 PolarHBondContact O-N 3.02Å
4	T	33.5	Very low	31.2	Very low	136 Å²	136	155.6 Å²	155.6	83%	0.834	85%	0.848	S	S	*	*			trans	-74.2	127.4	-171.9	-44.6	0	0	0	0	111.8	A6	T4-A6 PolarHBondContact O-N 2.73Å
5	V	33.5	Very low	31.7	Very low	132 Å²	132	153.3 Å²	153.3	80%	0.8	84%	0.84	S	S	*	*			trans	-73.9	107.6	170.6	175.9	0	0	0	0	109	R7	V5-R7 PolarHBondContact O-N 3.22Å
6	A	31.5	Very low	31.9	Very low	93 Å²	93	159.3 Å²	159.3	77%	0.769	85%	0.846	S	S	*	*			trans	-73.9	107.2	171.3	0	0	0	0	0	110	T4 K8	T4-A6 PolarHBondContact O-N 2.73Å; A6-K8 PolarHBondContact O-N 3.15Å
7	R	32.7	Very low	32.6	Very low	214 Å²	214	153.6 Å²	153.6	81%	0.808	82%	0.816	S	S	*	*			trans	-73.3	108.1	162.9	-82.1	-176.6	174.1	179	-1.2	108.7	V5 F9	V5-R7 PolarHBondContact O-N 3.22Å; R7-F9 PolarHBondContact O-N 3.43Å
8	K	27.5	Very low	33.3	Very low	209 Å²	209	156.7 Å²	156.7	91%	0.909	81%	0.814	S	S	*	*			trans	-67.5	110.6	163.9	-77.5	179.7	174.6	-179.7	0	108.6	A6	A6-K8 PolarHBondContact O-N 3.15Å
9	F	29.3	Very low	34.4	Very low	183 Å²	183	154.4 Å²	154.4	80%	0.803	81%	0.813	S	S	*	*			trans	-95.1	134	160.3	-93.1	-86.4	0	0	0	109.1	R7	R7-F9 PolarHBondContact O-N 3.43Å
10	C	29.1	Very low	35.3	Very low	122 Å²	122	152.3 Å²	152.3	82%	0.824	81%	0.806	S	S	*	*			trans	-74	145	177.2	-147.3	0	0	0	0	110.1	I12	C10-I12 PolarHBondContact O-N 3.12Å
11	F	26.5	Very low	36.6	Very low	196 Å²	196	149.1 Å²	149.1	86%	0.86	79%	0.79	S	S	*	*			trans	-45.9	123.2	-175.4	-82.4	-107.2	0	0	0	114
12	I	32.4	Very low	38.1	Very low	160 Å²	160	143.9 Å²	143.9	82%	0.821	76%	0.761	S	S	*	*			trans	-116.7	116.4	144.5	-62.9	177.2	0	0	0	105.1	C10 G14	C10-I12 PolarHBondContact O-N 3.12Å; I12-G14 PolarHBondContact O-N 3.29Å; I12-G14 VanDerWaalsContact O-N 3.11Å
13	T	34	Very low	40.1	Very low	118 Å²	118	138 Å²	138	72%	0.724	75%	0.746	S	S	*	*			trans	-48.1	116.4	168.2	42.2	0	0	0	0	109.2	V15	T13-V15 PolarHBondContact O-N 3.35Å
14	G	31.1	Very low	42.2	Very low	76 Å²	76	137.8 Å²	137.8	78%	0.784	73%	0.73	S	S	*	*			trans	-63.3	102.8	-175	0	0	0	0	0	111.9	I12 R16	I12-G14 PolarHBondContact O-N 3.29Å; I12-G14 VanDerWaalsContact O-N 3.11Å; G14-R16 PolarHBondContact O-N 2.89Å
15	V	38.1	Very low	44.3	Very low	120 Å²	120	135.2 Å²	135.2	73%	0.727	71%	0.711	S	S	*	*			trans	-69.7	106.9	156.1	-179.8	0	0	0	0	106.5	T13 I17	T13-V15 PolarHBondContact O-N 3.35Å; V15-I17 VanDerWaalsContact C-N 3.28Å; V15-I17 HydrophobicContact CB-CG1 4.45Å; V15-I17 HydrophobicContact CG1-CG1 3.79Å; V15-I17 PolarHBondContact O-N 3.38Å
16	R	36	Very low	46.5	Very low	249 Å²	249	132.8 Å²	132.8	94%	0.94	70%	0.696	S	S	*	*			trans	-73.5	84.5	175	-158.6	176.2	-167	176.7	3.5	108.6	G14 R18	G14-R16 PolarHBondContact O-N 2.89Å; R16-R18 PolarHBondContact O-N 2.77Å
17	I	43.6	Very low	49	Very low	64 Å²	64	133.1 Å²	133.1	33%	0.328	69%	0.685	S	S	.	*			trans	-71.9	116	175.8	-56.9	179.4	0	0	0	108	V15 S19 N21 K22 L25	V15-I17 VanDerWaalsContact C-N 3.28Å; V15-I17 HydrophobicContact CB-CG1 4.45Å; V15-I17 HydrophobicContact CG1-CG1 3.79Å; V15-I17 PolarHBondContact O-N 3.38Å; I17-S19 PolarHBondContact O-N 2.78Å; I17-N21 HydrophobicContact CG2-CB 3.46Å; I17-N21 VanDerWaalsContact CG2-CB 3.46Å; I17-K22 HydrophobicContact CG2-CG 4.37Å; I17-L25 HydrophobicContact CD1-CD2 3.7Å
18	R	44.5	Very low	51.4	Low	208 Å²	208	128 Å²	128	79%	0.785	67%	0.673	S	S	*	*			trans	-50.1	138.9	171.3	-102.5	179.2	172.2	176.9	-2.5	109.5	R16 T20 N21	R16-R18 PolarHBondContact O-N 2.77Å; R18-T20 PolarHBondContact O-N 3.28Å; R18-N21 PolarHBondContact O-N 3.26Å
19	S	53.7	Low	54.2	Low	113 Å²	113	122.6 Å²	122.6	79%	0.79	65%	0.653	S	S	*	*	G	3₁₀ helix	trans	-44.5	-32.5	-177.4	-178	0	0	0	0	114.5	I17 N21	I17-S19 PolarHBondContact O-N 2.78Å; S19-N21 PolarHBondContact O-N 3.39Å
20	T	53.4	Low	56.9	Low	112 Å²	112	118.1 Å²	118.1	69%	0.687	64%	0.638	S	S	*	*	G	3₁₀ helix	trans	-74.7	-15.2	178.7	50.2	0	0	0	0	115.3	R18	R18-T20 PolarHBondContact O-N 3.28Å
21	N	61.7	Low	59.6	Low	86 Å²	86	116.3 Å²	116.3	46%	0.46	62%	0.619	S	S	.	*	G	3₁₀ helix	trans	-101.5	-3	-175.3	-89.9	-8.4	0	0	0	115.2	I17 R18 S19 T24 L25	I17-N21 HydrophobicContact CG2-CB 3.46Å; I17-N21 VanDerWaalsContact CG2-CB 3.46Å; R18-N21 PolarHBondContact O-N 3.26Å; S19-N21 PolarHBondContact O-N 3.39Å; N21-T24 VanDerWaalsContact CA-OG1 3.29Å; N21-T24 WeakPolarHBondContact CA-OG1 3.32Å; N21-T24 PolarHBondContact O-OG1 2.75Å; N21-T24 PolarHBondContact OD1-OG1 2.86Å; N21-L25 WeakPolarHBondContact O-CB 3.49Å; N21-L25 PolarHBondContact O-N 3.18Å
22	K	63.3	Low	62.4	Low	138 Å²	138	110.9 Å²	110.9	60%	0.6	60%	0.598	S	S	*	*	H	α-helix	trans	-68.3	-39.4	175.2	-73.1	-173.3	179.1	-177.8	0	111.5	I17 L25 V26	I17-K22 HydrophobicContact CG2-CG 4.37Å; K22-L25 PolarHBondContact O-N 3.19Å; K22-V26 WeakPolarHBondContact O-CB 3.44Å; K22-V26 WeakPolarHBondContact O-CG2 3.45Å; K22-V26 PolarHBondContact O-N 2.7Å
23	S	73.6	Confident	64.8	Low	93 Å²	93	106 Å²	106	65%	0.65	58%	0.577	S	S	*	*	H	α-helix	trans	-65.3	-44.4	178	-172.4	0	0	0	0	111.5	V26 L27	S23-V26 PolarHBondContact O-N 2.92Å; S23-L27 VanDerWaalsContact O-CB 3.27Å; S23-L27 WeakPolarHBondContact O-CB 3.23Å; S23-L27 PolarHBondContact O-N 3.1Å
24	T	76.7	Confident	67.2	Low	71 Å²	71	108.1 Å²	108.1	44%	0.436	58%	0.576	S	S	.	*	H	α-helix	trans	-65.9	-40	176.6	46.5	0	0	0	0	112.4	N21 L27 L28	N21-T24 VanDerWaalsContact CA-OG1 3.29Å; N21-T24 WeakPolarHBondContact CA-OG1 3.32Å; N21-T24 PolarHBondContact O-OG1 2.75Å; N21-T24 PolarHBondContact OD1-OG1 2.86Å; T24-L27 PolarHBondContact O-N 2.77Å; T24-L28 WeakPolarHBondContact O-CB 3.1Å; T24-L28 PolarHBondContact O-N 2.73Å
25	L	77.6	Confident	69.7	Low	82 Å²	82	110.3 Å²	110.3	43%	0.429	57%	0.57	S	S	.	*	H	α-helix	trans	-64.5	-44.3	174.6	-174.9	73.5	0	0	0	112.1	I17 N21 K22 L27 L28 L29	I17-L25 HydrophobicContact CD1-CD2 3.7Å; N21-L25 WeakPolarHBondContact O-CB 3.49Å; N21-L25 PolarHBondContact O-N 3.18Å; K22-L25 PolarHBondContact O-N 3.19Å; L25-L27 VanDerWaalsContact C-N 3.34Å; L25-L28 PolarHBondContact O-N 3.44Å; L25-L29 HydrophobicContact CG-CD1 4.34Å; L25-L29 WeakPolarHBondContact O-CG 3.42Å; L25-L29 PolarHBondContact O-N 3.06Å
26	V	80.7	Confident	71.8	Confident	81 Å²	81	107.4 Å²	107.4	49%	0.491	55%	0.552	S	S	.	*	H	α-helix	trans	-62.7	-43.3	176.2	170	0	0	0	0	110.3	K22 S23 L28 L29 L30	K22-V26 WeakPolarHBondContact O-CB 3.44Å; K22-V26 WeakPolarHBondContact O-CG2 3.45Å; K22-V26 PolarHBondContact O-N 2.7Å; S23-V26 PolarHBondContact O-N 2.92Å; V26-L28 VanDerWaalsContact C-N 3.35Å; V26-L28 PolarHBondContact O-N 2.81Å; V26-L29 PolarHBondContact O-N 3.43Å; V26-L30 HydrophobicContact CG1-CD1 4.01Å; V26-L30 HydrophobicContact CG1-CG 4.39Å; V26-L30 WeakPolarHBondContact O-CB 3.29Å; V26-L30 VanDerWaalsContact O-CG 3.27Å; V26-L30 WeakPolarHBondContact O-CG 3.49Å; V26-L30 PolarHBondContact O-N 3.3Å
27	L	82.9	Confident	73.9	Confident	101 Å²	101	98.4 Å²	98.4	53%	0.529	52%	0.522	S	S	.	.	H	α-helix	trans	-61.9	-41.9	175.4	-169.7	72	0	0	0	111.5	S23 T24 L25 L30 I31	S23-L27 VanDerWaalsContact O-CB 3.27Å; S23-L27 WeakPolarHBondContact O-CB 3.23Å; S23-L27 PolarHBondContact O-N 3.1Å; T24-L27 PolarHBondContact O-N 2.77Å; L25-L27 VanDerWaalsContact C-N 3.34Å; L27-L30 PolarHBondContact O-N 2.97Å; L27-I31 HydrophobicContact CG-CD1 4.09Å; L27-I31 VanDerWaalsContact O-CG1 3.26Å; L27-I31 WeakPolarHBondContact O-CG1 3.46Å; L27-I31 PolarHBondContact O-N 3.31Å
28	L	84.8	Confident	75.7	Confident	106 Å²	106	98.8 Å²	98.8	56%	0.555	53%	0.529	S	S	*	.	H	α-helix	trans	-62.7	-44.2	176.7	-137	105.9	0	0	0	111.4	T24 L25 V26 L30 I31 I32	T24-L28 WeakPolarHBondContact O-CB 3.1Å; T24-L28 PolarHBondContact O-N 2.73Å; L25-L28 PolarHBondContact O-N 3.44Å; V26-L28 VanDerWaalsContact C-N 3.35Å; V26-L28 PolarHBondContact O-N 2.81Å; L28-L30 VanDerWaalsContact C-N 3.35Å; L28-I31 PolarHBondContact O-N 3.02Å; L28-I32 HydrophobicContact CD2-CD1 4.24Å; L28-I32 WeakPolarHBondContact O-CB 3.24Å; L28-I32 VanDerWaalsContact O-CG1 3.25Å; L28-I32 WeakPolarHBondContact O-CG1 3.26Å; L28-I32 PolarHBondContact O-N 3.13Å
29	L	85.9	Confident	77.5	Confident	95 Å²	95	95.1 Å²	95.1	50%	0.497	52%	0.519	S	S	.	.	H	α-helix	trans	-63	-41.2	175.2	-74.1	168.6	0	0	0	111.4	L25 V26 I32 C33	L25-L29 HydrophobicContact CG-CD1 4.34Å; L25-L29 WeakPolarHBondContact O-CG 3.42Å; L25-L29 PolarHBondContact O-N 3.06Å; V26-L29 PolarHBondContact O-N 3.43Å; L29-I32 PolarHBondContact O-N 3.35Å; L29-C33 WeakPolarHBondContact O-CB 3.29Å; L29-C33 PolarHBondContact O-N 3Å; L29-C33 PolarHBondContact O-SG 2.81Å
30	L	85	Confident	78.6	Confident	90 Å²	90	92.4 Å²	92.4	47%	0.471	50%	0.495	S	S	.	.	H	α-helix	trans	-62.7	-44.6	175.2	-73.6	171	0	0	0	111.2	V26 L27 L28 C33 F34	V26-L30 HydrophobicContact CG1-CD1 4.01Å; V26-L30 HydrophobicContact CG1-CG 4.39Å; V26-L30 WeakPolarHBondContact O-CB 3.29Å; V26-L30 VanDerWaalsContact O-CG 3.27Å; V26-L30 WeakPolarHBondContact O-CG 3.49Å; V26-L30 PolarHBondContact O-N 3.3Å; L27-L30 PolarHBondContact O-N 2.97Å; L28-L30 VanDerWaalsContact C-N 3.35Å; L30-C33 PolarHBondContact O-N 3Å; L30-F34 WeakPolarHBondContact O-CB 3.27Å; L30-F34 WeakPolarHBondContact O-CD2 3.45Å; L30-F34 PolarHBondContact O-N 2.87Å
31	I	85.3	Confident	79.6	Confident	83 Å²	83	88.7 Å²	88.7	43%	0.426	47%	0.473	S	S	.	.	H	α-helix	trans	-62.4	-45.6	176.3	-68.8	164.4	0	0	0	110.5	L27 L28 C33 F34 L35	L27-I31 HydrophobicContact CG-CD1 4.09Å; L27-I31 VanDerWaalsContact O-CG1 3.26Å; L27-I31 WeakPolarHBondContact O-CG1 3.46Å; L27-I31 PolarHBondContact O-N 3.31Å; L28-I31 PolarHBondContact O-N 3.02Å; I31-C33 VanDerWaalsContact C-N 3.34Å; I31-C33 PolarHBondContact O-N 2.85Å; I31-F34 PolarHBondContact O-N 3.39Å; I31-L35 HydrophobicContact CG2-CD1 3.9Å; I31-L35 HydrophobicContact CG2-CG 4.4Å; I31-L35 WeakPolarHBondContact O-CG 3.44Å; I31-L35 PolarHBondContact O-N 3.25Å
32	I	85.9	Confident	80.3	Confident	83 Å²	83	89.8 Å²	89.8	43%	0.426	48%	0.478	S	S	.	.	H	α-helix	trans	-58.2	-48.4	176.1	-70.4	165.8	0	0	0	109.7	L28 L29 F34 L35 T36	L28-I32 HydrophobicContact CD2-CD1 4.24Å; L28-I32 WeakPolarHBondContact O-CB 3.24Å; L28-I32 VanDerWaalsContact O-CG1 3.25Å; L28-I32 WeakPolarHBondContact O-CG1 3.26Å; L28-I32 PolarHBondContact O-N 3.13Å; L29-I32 PolarHBondContact O-N 3.35Å; I32-F34 PolarHBondContact O-N 3.05Å; I32-L35 PolarHBondContact O-N 3.4Å; I32-T36 HydrophobicContact CG2-CG2 3.93Å; I32-T36 VanDerWaalsContact O-CB 3.27Å; I32-T36 WeakPolarHBondContact O-CB 3.32Å; I32-T36 VanDerWaalsContact O-CG2 3.26Å; I32-T36 WeakPolarHBondContact O-CG2 3.09Å; I32-T36 PolarHBondContact O-N 3.25Å; I32-T36 PolarHBondContact O-OG1 2.83Å
33	C	83	Confident	81	Confident	57 Å²	57	87.6 Å²	87.6	39%	0.385	47%	0.469	S	S	.	.	H	α-helix	trans	-59.9	-43.8	175.6	-73.4	0	0	0	0	112	L29 L30 I31 L35 T36 I37	L29-C33 WeakPolarHBondContact O-CB 3.29Å; L29-C33 PolarHBondContact O-N 3Å; L29-C33 PolarHBondContact O-SG 2.81Å; L30-C33 PolarHBondContact O-N 3Å; I31-C33 VanDerWaalsContact C-N 3.34Å; I31-C33 PolarHBondContact O-N 2.85Å; C33-L35 VanDerWaalsContact C-N 3.26Å; C33-L35 PolarHBondContact O-N 3.31Å; C33-T36 PolarHBondContact O-N 2.8Å; C33-I37 HydrophobicContact CB-CD1 3.95Å; C33-I37 VanDerWaalsContact O-CB 3.23Å; C33-I37 WeakPolarHBondContact O-CB 3.32Å; C33-I37 VanDerWaalsContact O-CG1 3.22Å; C33-I37 WeakPolarHBondContact O-CG1 3.24Å; C33-I37 PolarHBondContact O-N 2.89Å
34	F	83.7	Confident	80.8	Confident	162 Å²	162	84.1 Å²	84.1	71%	0.711	44%	0.442	S	S	*	.	H	α-helix	trans	-64.6	-27.7	179	-102.7	-81.9	0	0	0	113.4	L30 I31 I32 P38	L30-F34 WeakPolarHBondContact O-CB 3.27Å; L30-F34 WeakPolarHBondContact O-CD2 3.45Å; L30-F34 PolarHBondContact O-N 2.87Å; I31-F34 PolarHBondContact O-N 3.39Å; I32-F34 PolarHBondContact O-N 3.05Å; F34-P38 WeakPolarHBondContact O-CD 3.43Å; F34-P38 WeakPolarHBondContact O-CG 3.45Å
35	L	83.4	Confident	80.5	Confident	122 Å²	122	83 Å²	83	64%	0.639	43%	0.434	S	S	*	.	H	α-helix	trans	-89.6	-42.7	176	-67	174.1	0	0	0	112	I31 I32 C33 F39	I31-L35 HydrophobicContact CG2-CD1 3.9Å; I31-L35 HydrophobicContact CG2-CG 4.4Å; I31-L35 WeakPolarHBondContact O-CG 3.44Å; I31-L35 PolarHBondContact O-N 3.25Å; I32-L35 PolarHBondContact O-N 3.4Å; C33-L35 VanDerWaalsContact C-N 3.26Å; C33-L35 PolarHBondContact O-N 3.31Å; L35-F39 VanDerWaalsContact O-CB 3.29Å; L35-F39 WeakPolarHBondContact O-CB 3.23Å; L35-F39 PolarHBondContact O-N 3.08Å
36	T	83	Confident	80.2	Confident	60 Å²	60	84.3 Å²	84.3	37%	0.368	45%	0.445	S	S	.	.	H	α-helix	trans	-77.9	-37.7	-173.4	55.7	0	0	0	0	113	I32 C33 F39 L40	I32-T36 HydrophobicContact CG2-CG2 3.93Å; I32-T36 VanDerWaalsContact O-CB 3.27Å; I32-T36 WeakPolarHBondContact O-CB 3.32Å; I32-T36 VanDerWaalsContact O-CG2 3.26Å; I32-T36 WeakPolarHBondContact O-CG2 3.09Å; I32-T36 PolarHBondContact O-N 3.25Å; I32-T36 PolarHBondContact O-OG1 2.83Å; C33-T36 PolarHBondContact O-N 2.8Å; T36-F39 PolarHBondContact O-N 3.3Å; T36-L40 WeakPolarHBondContact O-CB 3.47Å; T36-L40 VanDerWaalsContact O-CG 3.29Å; T36-L40 WeakPolarHBondContact O-CG 3.5Å; T36-L40 PolarHBondContact O-N 3.4Å
37	I	81	Confident	79.4	Confident	59 Å²	59	85.8 Å²	85.8	30%	0.303	45%	0.448	S	S	.	.	H	α-helix	trans	-65.9	-50.2	-178.8	-64.5	170.1	0	0	0	110.8	C33 F39 L40 T41 F205 L209	C33-I37 HydrophobicContact CB-CD1 3.95Å; C33-I37 VanDerWaalsContact O-CB 3.23Å; C33-I37 WeakPolarHBondContact O-CB 3.32Å; C33-I37 VanDerWaalsContact O-CG1 3.22Å; C33-I37 WeakPolarHBondContact O-CG1 3.24Å; C33-I37 PolarHBondContact O-N 2.89Å; I37-F39 VanDerWaalsContact C-N 3.29Å; I37-F39 PolarHBondContact O-N 3.49Å; I37-L40 PolarHBondContact O-N 3.21Å; I37-T41 WeakPolarHBondContact O-CB 3.26Å; I37-T41 PolarHBondContact O-N 2.76Å; I37-T41 PolarHBondContact O-OG1 2.63Å; I37-F205 HydrophobicContact CG2-CZ 4.09Å; I37-L209 HydrophobicContact CG1-CD2 4.45Å; I37-L209 HydrophobicContact CG2-CD1 3.9Å; I37-L209 HydrophobicContact CG2-CD2 4.37Å
38	P	81	Confident	78.2	Confident	73 Å²	73	85.3 Å²	85.3	47%	0.474	44%	0.44	S	S	.	.	H	α-helix	trans	-62.7	-38.1	175.6	-23.5	36.5	0	0	0	111.9	F34 T41 L42	F34-P38 WeakPolarHBondContact O-CD 3.43Å; F34-P38 WeakPolarHBondContact O-CG 3.45Å; P38-T41 PolarHBondContact O-N 3.25Å; P38-L42 WeakPolarHBondContact O-CB 3.42Å; P38-L42 PolarHBondContact O-N 2.95Å
39	F	82.5	Confident	76.5	Confident	130 Å²	130	86.8 Å²	86.8	57%	0.57	44%	0.442	S	S	*	.	H	α-helix	trans	-62.1	-49.8	176.1	178.5	-96.9	0	0	0	112.1	L35 T36 I37 T41 L42 F43	L35-F39 VanDerWaalsContact O-CB 3.29Å; L35-F39 WeakPolarHBondContact O-CB 3.23Å; L35-F39 PolarHBondContact O-N 3.08Å; T36-F39 PolarHBondContact O-N 3.3Å; I37-F39 VanDerWaalsContact C-N 3.29Å; I37-F39 PolarHBondContact O-N 3.49Å; F39-T41 VanDerWaalsContact C-N 3.33Å; F39-T41 PolarHBondContact O-N 3.49Å; F39-L42 PolarHBondContact O-N 3.43Å; F39-F43 HydrophobicContact CE1-CB 4.38Å; F39-F43 HydrophobicContact CZ-CD2 4.28Å; F39-F43 WeakPolarHBondContact O-CB 3.02Å; F39-F43 PolarHBondContact O-N 3.01Å
40	L	77.3	Confident	74.7	Confident	56 Å²	56	89.7 Å²	89.7	29%	0.293	45%	0.453	S	S	.	.	H	α-helix	trans	-62.2	-41.4	177.9	-74.6	170.2	0	0	0	111.6	T36 I37 F43 N44 L209	T36-L40 WeakPolarHBondContact O-CB 3.47Å; T36-L40 VanDerWaalsContact O-CG 3.29Å; T36-L40 WeakPolarHBondContact O-CG 3.5Å; T36-L40 PolarHBondContact O-N 3.4Å; I37-L40 PolarHBondContact O-N 3.21Å; L40-F43 PolarHBondContact O-N 2.92Å; L40-N44 WeakPolarHBondContact O-CB 3.4Å; L40-N44 PolarHBondContact O-N 3.39Å; L40-L209 HydrophobicContact CB-CD1 3.79Å; L40-L209 HydrophobicContact CB-CG 4.49Å
41	T	72.6	Confident	73	Confident	35 Å²	35	91 Å²	91	22%	0.215	46%	0.46	C	S	.	.	H	α-helix	trans	-65.5	-43.6	177.7	-46	0	0	0	0	110.9	I37 P38 F39 N45 L209	I37-T41 WeakPolarHBondContact O-CB 3.26Å; I37-T41 PolarHBondContact O-N 2.76Å; I37-T41 PolarHBondContact O-OG1 2.63Å; P38-T41 PolarHBondContact O-N 3.25Å; F39-T41 VanDerWaalsContact C-N 3.33Å; F39-T41 PolarHBondContact O-N 3.49Å; T41-N45 VanDerWaalsContact O-CB 3.3Å; T41-N45 WeakPolarHBondContact O-CB 3.47Å; T41-N45 PolarHBondContact O-N 3.38Å; T41-N45 PolarHBondContact O-ND2 3.36Å; T41-L209 VanDerWaalsContact OG1-CD1 3.26Å; T41-L209 WeakPolarHBondContact OG1-CD1 3.35Å
42	L	77.1	Confident	71.3	Confident	109 Å²	109	93.1 Å²	93.1	57%	0.571	46%	0.464	S	S	*	.	H	α-helix	trans	-68.1	-43.4	177.4	-172.1	72.5	0	0	0	110.9	P38 F39 N45 V46	P38-L42 WeakPolarHBondContact O-CB 3.42Å; P38-L42 PolarHBondContact O-N 2.95Å; F39-L42 PolarHBondContact O-N 3.43Å; L42-N45 CarbonylContact O-C 3.6Å; L42-N45 PolarHBondContact O-N 2.99Å; L42-V46 HydrophobicContact CD1-CG2 4.42Å; L42-V46 HydrophobicContact CG-CG2 4.29Å; L42-V46 WeakPolarHBondContact O-CB 3.15Å; L42-V46 VanDerWaalsContact O-CG2 3.25Å; L42-V46 WeakPolarHBondContact O-CG2 3.29Å; L42-V46 PolarHBondContact O-N 2.94Å
43	F	77.4	Confident	69.5	Low	92 Å²	92	96.9 Å²	96.9	40%	0.404	49%	0.485	S	S	.	.	H	α-helix	trans	-62.5	-48.8	178.2	-177.5	-95.2	0	0	0	111.1	F39 L40 N45 V46 M47	F39-F43 HydrophobicContact CE1-CB 4.38Å; F39-F43 HydrophobicContact CZ-CD2 4.28Å; F39-F43 WeakPolarHBondContact O-CB 3.02Å; F39-F43 PolarHBondContact O-N 3.01Å; L40-F43 PolarHBondContact O-N 2.92Å; F43-N45 PolarHBondContact O-N 3.35Å; F43-V46 PolarHBondContact O-N 2.8Å; F43-M47 HydrophobicContact CD1-CG 4.16Å; F43-M47 HydrophobicContact CD2-CG 4.16Å; F43-M47 HydrophobicContact CE1-CG 3.85Å; F43-M47 HydrophobicContact CE2-CG 3.84Å; F43-M47 HydrophobicContact CE2-SD 4.3Å; F43-M47 HydrophobicContact CG-CG 4.31Å; F43-M47 HydrophobicContact CZ-CG 3.68Å; F43-M47 HydrophobicContact CZ-SD 4.33Å; F43-M47 VanDerWaalsContact O-CB 3.31Å; F43-M47 WeakPolarHBondContact O-CB 3.48Å; F43-M47 VanDerWaalsContact O-CG 3.27Å; F43-M47 WeakPolarHBondContact O-CG 3.25Å; F43-M47 PolarHBondContact O-N 3.18Å
44	N	71.1	Confident	68.2	Low	19 Å²	19	97.5 Å²	97.5	10%	0.102	50%	0.501	C	S	.	.	H	α-helix	trans	-62.4	-42.8	175.1	-83.4	-6.4	0	0	0	111.6	L40 Y48 K208 L209 R211	L40-N44 WeakPolarHBondContact O-CB 3.4Å; L40-N44 PolarHBondContact O-N 3.39Å; N44-Y48 HydrophobicContact CB-CD2 4.13Å; N44-Y48 HydrophobicContact CB-CE2 4.5Å; N44-Y48 VanDerWaalsContact O-CB 3.3Å; N44-Y48 WeakPolarHBondContact O-CB 3.45Å; N44-Y48 WeakPolarHBondContact O-CD2 3.29Å; N44-Y48 PolarHBondContact O-N 3.33Å; N44-Y48 WeakPolarHBondContact OD1-CE2 3.49Å; N44-K208 PolarHBondContact ND2-O 2.86Å; N44-L209 PolarHBondContact ND2-O 3.45Å; N44-R211 PolarHBondContact ND2-O 3.03Å
45	N	68.8	Low	67.3	Low	48 Å²	48	91.7 Å²	91.7	26%	0.257	48%	0.477	S	S	.	.	H	α-helix	trans	-59.8	-54.2	173.7	-74.6	-33.4	0	0	0	109.8	T41 L42 F43 M47 Y48 K49	T41-N45 VanDerWaalsContact O-CB 3.3Å; T41-N45 WeakPolarHBondContact O-CB 3.47Å; T41-N45 PolarHBondContact O-N 3.38Å; T41-N45 PolarHBondContact O-ND2 3.36Å; L42-N45 CarbonylContact O-C 3.6Å; L42-N45 PolarHBondContact O-N 2.99Å; F43-N45 PolarHBondContact O-N 3.35Å; N45-M47 VanDerWaalsContact C-N 3.35Å; N45-M47 PolarHBondContact O-N 3.04Å; N45-Y48 PolarHBondContact O-N 3.47Å; N45-K49 HydrophobicContact CB-CD 4.38Å; N45-K49 WeakPolarHBondContact O-CA 3.19Å; N45-K49 WeakPolarHBondContact O-CB 3.4Å; N45-K49 PolarHBondContact O-N 2.98Å
46	V	70.8	Confident	66.4	Low	109 Å²	109	90.5 Å²	90.5	66%	0.661	48%	0.477	S	S	*	.	H	α-helix	trans	-61.3	-40.9	-176.4	171.5	0	0	0	0	112.6	L42 F43	L42-V46 HydrophobicContact CD1-CG2 4.42Å; L42-V46 HydrophobicContact CG-CG2 4.29Å; L42-V46 WeakPolarHBondContact O-CB 3.15Å; L42-V46 VanDerWaalsContact O-CG2 3.25Å; L42-V46 WeakPolarHBondContact O-CG2 3.29Å; L42-V46 PolarHBondContact O-N 2.94Å; F43-V46 PolarHBondContact O-N 2.8Å
47	M	64.7	Low	66.1	Low	112 Å²	112	96.7 Å²	96.7	55%	0.552	50%	0.498	S	S	*	.	H	α-helix	trans	-76.5	-25.5	-177.8	-67.2	-63.2	-66.9	0	0	113.7	F43 N45	F43-M47 HydrophobicContact CD1-CG 4.16Å; F43-M47 HydrophobicContact CD2-CG 4.16Å; F43-M47 HydrophobicContact CE1-CG 3.85Å; F43-M47 HydrophobicContact CE2-CG 3.84Å; F43-M47 HydrophobicContact CE2-SD 4.3Å; F43-M47 HydrophobicContact CG-CG 4.31Å; F43-M47 HydrophobicContact CZ-CG 3.68Å; F43-M47 HydrophobicContact CZ-SD 4.33Å; F43-M47 VanDerWaalsContact O-CB 3.31Å; F43-M47 WeakPolarHBondContact O-CB 3.48Å; F43-M47 VanDerWaalsContact O-CG 3.27Å; F43-M47 WeakPolarHBondContact O-CG 3.25Å; F43-M47 PolarHBondContact O-N 3.18Å; N45-M47 VanDerWaalsContact C-N 3.35Å; N45-M47 PolarHBondContact O-N 3.04Å
48	Y	58.9	Low	66.2	Low	91 Å²	91	95.9 Å²	95.9	36%	0.357	49%	0.494	S	S	.	.	H	α-helix	trans	-125.2	-9.1	-170.5	-54	-64.9	0	0	0	115.3	N44 N45 E50 P212	N44-Y48 HydrophobicContact CB-CD2 4.13Å; N44-Y48 HydrophobicContact CB-CE2 4.5Å; N44-Y48 VanDerWaalsContact O-CB 3.3Å; N44-Y48 WeakPolarHBondContact O-CB 3.45Å; N44-Y48 WeakPolarHBondContact O-CD2 3.29Å; N44-Y48 PolarHBondContact O-N 3.33Å; N44-Y48 WeakPolarHBondContact OD1-CE2 3.49Å; N45-Y48 PolarHBondContact O-N 3.47Å; Y48-E50 PolarHBondContact O-N 2.94Å; Y48-P212 HydrophobicContact CD1-CB 3.51Å; Y48-P212 HydrophobicContact CD2-CB 3.57Å; Y48-P212 HydrophobicContact CE1-CB 3.5Å; Y48-P212 HydrophobicContact CE1-CG 4.08Å; Y48-P212 HydrophobicContact CE2-CB 3.59Å; Y48-P212 HydrophobicContact CE2-CG 4.2Å; Y48-P212 HydrophobicContact CG-CB 3.54Å
49	K	48.9	Very low	66.7	Low	137 Å²	137	97.9 Å²	97.9	60%	0.596	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-8.4	-171	179.7	174.6	-176.6	-170.1	0	114.6	N45	N45-K49 HydrophobicContact CB-CD 4.38Å; N45-K49 WeakPolarHBondContact O-CA 3.19Å; N45-K49 WeakPolarHBondContact O-CB 3.4Å; N45-K49 PolarHBondContact O-N 2.98Å
50	E	47.4	Very low	67.3	Low	156 Å²	156	92.2 Å²	92.2	73%	0.729	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-136.8	30.1	-172.7	-67.8	-171.7	167.4	0	0	115.7	Y48 Y52	Y48-E50 PolarHBondContact O-N 2.94Å; E50-Y52 PolarHBondContact O-N 2.83Å
51	N	48.5	Very low	68.1	Low	117 Å²	117	94.1 Å²	94.1	63%	0.626	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	45.8	162.3	-90.5	-8.3	0	0	0	112.1
52	Y	50.7	Low	69.2	Low	129 Å²	129	97.5 Å²	97.5	51%	0.506	50%	0.503	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-19.2	166.3	-70.7	-83.8	0	0	0	112	E50 G54 L55 L215	E50-Y52 PolarHBondContact O-N 2.83Å; Y52-G54 PolarHBondContact O-N 3.23Å; Y52-L55 PolarHBondContact O-N 2.59Å; Y52-L215 WeakPolarHBondContact CE1-O 3.25Å; Y52-L215 PolarHBondContact OH-O 2.99Å
53	D	47.2	Very low	70.2	Confident	161 Å²	161	92.3 Å²	92.3	86%	0.861	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	101	-178.7	-80.7	-15.3	0	0	0	110.3
54	G	56.5	Low	71.1	Confident	70 Å²	70	89.5 Å²	89.5	72%	0.722	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	115.4	-4.8	175.5	0	0	0	0	0	115.7	Y52	Y52-G54 PolarHBondContact O-N 3.23Å
55	L	63.7	Low	72.3	Confident	41 Å²	41	95.4 Å²	95.4	22%	0.215	50%	0.497	C	S	.	.	S	Bend	trans	-74.6	134.5	169.5	-74.7	172.2	0	0	0	110	Y52 K57 F155 M214 T216	Y52-L55 PolarHBondContact O-N 2.59Å; L55-K57 PolarHBondContact O-N 2.91Å; L55-F155 HydrophobicContact CD2-CB 3.97Å; L55-F155 HydrophobicContact CD2-CD1 3.51Å; L55-F155 HydrophobicContact CD2-CD2 4.45Å; L55-F155 HydrophobicContact CD2-CE1 3.97Å; L55-F155 HydrophobicContact CD2-CG 3.75Å; L55-M214 HydrophobicContact CD1-SD 3.96Å; L55-T216 HydrophobicContact CD1-CG2 3.43Å; L55-T216 VanDerWaalsContact CD1-CG2 3.43Å
56	P	66	Low	73.7	Confident	97 Å²	97	95 Å²	95	63%	0.63	49%	0.491	S	S	*	.	P	Polyproline II helix	trans	-57.9	124.3	178.7	-21.4	31.3	0	0	0	110.5	I58	P56-I58 PolarHBondContact O-N 3.5Å
57	K	75.9	Confident	75	Confident	190 Å²	190	94.3 Å²	94.3	83%	0.826	48%	0.48	S	S	*	.	P	Polyproline II helix	trans	-67.1	123	168.5	-77.5	-173.6	178.8	-179.7	0	108.5	L55 T59	L55-K57 PolarHBondContact O-N 2.91Å; K57-T59 HydrophobicContact CB-CG2 4.36Å; K57-T59 PolarHBondContact O-N 3.03Å
58	I	84.2	Confident	76.5	Confident	41 Å²	41	89.3 Å²	89.3	21%	0.21	46%	0.456	C	S	.	.			trans	-76.3	111	173.5	-62.5	-177.2	0	0	0	107.8	P56 D60 E217	P56-I58 PolarHBondContact O-N 3.5Å; I58-D60 WeakPolarHBondContact CG2-OD1 3.45Å; I58-E217 WeakPolarHBondContact CD1-O 3.37Å
59	T	90.1	Very high	78.3	Confident	116 Å²	116	88.2 Å²	88.2	71%	0.712	46%	0.456	S	S	*	.			trans	-112.8	9.1	-174.7	59.1	0	0	0	0	113.8	K57	K57-T59 HydrophobicContact CB-CG2 4.36Å; K57-T59 PolarHBondContact O-N 3.03Å
60	D	94.9	Very high	80.6	Confident	11 Å²	11	83 Å²	83	6%	0.059	44%	0.435	C	S	.	.			trans	-105.1	42.3	-171.4	58.4	-8.3	0	0	0	112.9	I58 F62 I63 H76 Y81 W219	I58-D60 WeakPolarHBondContact CG2-OD1 3.45Å; D60-F62 HydrophobicContact CB-CD1 4.45Å; D60-F62 HydrophobicContact CB-CE1 3.78Å; D60-F62 HydrophobicContact CB-CE2 4.31Å; D60-F62 HydrophobicContact CB-CZ 3.69Å; D60-F62 PolarHBondContact O-N 3.35Å; D60-I63 HydrophobicContact CB-CG2 4.27Å; D60-I63 WeakPolarHBondContact O-CG1 3.46Å; D60-I63 WeakPolarHBondContact O-CG2 3.36Å; D60-I63 PolarHBondContact O-N 2.87Å; D60-H76 IonicContact OD2-CD2 3.31Å; D60-H76 IonicContact OD2-CE1 3.9Å; D60-H76 IonicContact OD2-NE2 3.93Å; D60-H76 PolarHBondContact OD2-NE2 2.97Å; D60-Y81 PolarHBondContact OD1-OH 2.87Å; D60-Y81 VanDerWaalsContact OD1-OH 3.09Å; D60-Y81 WeakPolarHBondContact OD2-CE2 3.38Å; D60-Y81 VanDerWaalsContact OD2-CZ 3.25Å; D60-Y81 PolarHBondContact OD2-OH 2.6Å; D60-W219 PolarHBondContact OD1-NE1 3.07Å
61	D	95.5	Very high	83.1	Confident	96 Å²	96	80.3 Å²	80.3	51%	0.513	43%	0.431	S	S	.	.	G	3₁₀ helix	trans	-53.3	-26.2	179.5	-70.2	-34.9	0	0	0	114.3	I63 A64 K183	D61-I63 PolarHBondContact O-N 2.8Å; D61-I63 VanDerWaalsContact O-N 3.14Å; D61-A64 WeakPolarHBondContact O-CB 3.35Å; D61-A64 PolarHBondContact O-N 2.79Å; D61-K183 WeakPolarHBondContact OD1-CE 3.21Å; D61-K183 IonicContact OD1-NZ 3.81Å; D61-K183 PolarHBondContact OD1-NZ 2.88Å; D61-K183 IonicContact OD2-NZ 3.75Å
62	F	95.8	Very high	85.4	Confident	106 Å²	106	81.5 Å²	81.5	47%	0.465	43%	0.427	S	S	.	.	G	3₁₀ helix	trans	-59.6	-21.9	177.4	56.9	-100.5	0	0	0	113.8	D60 A64 E65 W66 H76	D60-F62 HydrophobicContact CB-CD1 4.45Å; D60-F62 HydrophobicContact CB-CE1 3.78Å; D60-F62 HydrophobicContact CB-CE2 4.31Å; D60-F62 HydrophobicContact CB-CZ 3.69Å; D60-F62 PolarHBondContact O-N 3.35Å; F62-A64 PolarHBondContact O-N 2.95Å; F62-E65 PolarHBondContact O-N 3.2Å; F62-W66 AromaticContact CD2-CH2 3.59Å; F62-W66 HydrophobicContact CD2-CH2 3.59Å; F62-W66 AromaticContact CD2-CZ2 3.59Å; F62-W66 HydrophobicContact CD2-CZ2 3.59Å; F62-W66 HydrophobicContact CD2-CZ3 4.22Å; F62-W66 AromaticContact CE2-CH2 3.5Å; F62-W66 HydrophobicContact CE2-CH2 3.5Å; F62-W66 VanDerWaalsContact CE2-CH2 3.5Å; F62-W66 AromaticContact CE2-CZ2 3.99Å; F62-W66 HydrophobicContact CE2-CZ2 3.99Å; F62-W66 HydrophobicContact CE2-CZ3 4.05Å; F62-H76 AromaticContact CE2-CE1 3.92Å; F62-H76 AromaticContact CE2-ND1 4Å; F62-H76 AromaticContact CZ-CE1 3.7Å
63	I	97.2	Very high	87.7	Confident	0 Å²	0	75.3 Å²	75.3	0%	0	40%	0.402	C	S	.	.	G	3₁₀ helix	trans	-72.1	-18.3	-179.8	76.4	-179.2	0	0	0	113	D60 D61 E65 W66 L73 Y81 P181 W219 F221	D60-I63 HydrophobicContact CB-CG2 4.27Å; D60-I63 WeakPolarHBondContact O-CG1 3.46Å; D60-I63 WeakPolarHBondContact O-CG2 3.36Å; D60-I63 PolarHBondContact O-N 2.87Å; D61-I63 PolarHBondContact O-N 2.8Å; D61-I63 VanDerWaalsContact O-N 3.14Å; I63-E65 PolarHBondContact O-N 3.45Å; I63-W66 HydrophobicContact CB-CE3 4.1Å; I63-W66 HydrophobicContact CB-CZ3 4.47Å; I63-W66 HydrophobicContact CG2-CE3 3.88Å; I63-W66 HydrophobicContact CG2-CH2 4.38Å; I63-W66 HydrophobicContact CG2-CZ3 3.75Å; I63-W66 PolarHBondContact O-N 3.07Å; I63-W66 VanDerWaalsContact O-N 3.15Å; I63-L73 HydrophobicContact CB-CD1 4.09Å; I63-Y81 HydrophobicContact CD1-CE2 4.3Å; I63-P181 HydrophobicContact CG1-CB 4.3Å; I63-P181 HydrophobicContact CG1-CG 4.44Å; I63-W219 HydrophobicContact CD1-CD2 3.71Å; I63-W219 HydrophobicContact CD1-CE3 4.15Å; I63-W219 HydrophobicContact CD1-CG 4.05Å; I63-W219 HydrophobicContact CD1-CH2 4.43Å; I63-W219 HydrophobicContact CD1-CZ2 4Å; I63-W219 HydrophobicContact CD1-CZ3 4.49Å; I63-W219 HydrophobicContact CG1-CD2 4.08Å; I63-W219 HydrophobicContact CG1-CE3 4.15Å; I63-W219 HydrophobicContact CG1-CH2 3.75Å; I63-W219 HydrophobicContact CG1-CZ2 3.64Å; I63-W219 HydrophobicContact CG1-CZ3 3.99Å; I63-F221 HydrophobicContact CD1-CE1 4.01Å; I63-F221 HydrophobicContact CD1-CZ 4.26Å
64	A	96.8	Very high	90.1	Very high	32 Å²	32	68.7 Å²	68.7	26%	0.264	37%	0.367	S	S	.	.	G	3₁₀ helix	trans	-60.1	-25.7	177.4	0	0	0	0	0	113.2	D61 F62 R180 W219	D61-A64 WeakPolarHBondContact O-CB 3.35Å; D61-A64 PolarHBondContact O-N 2.79Å; F62-A64 PolarHBondContact O-N 2.95Å; A64-R180 WeakPolarHBondContact O-CD 3.45Å; A64-W219 HydrophobicContact CB-CH2 3.83Å; A64-W219 HydrophobicContact CB-CZ3 4.05Å
65	E	96.8	Very high	92.1	Very high	144 Å²	144	69.3 Å²	69.3	67%	0.673	35%	0.351	S	S	*	.	G	3₁₀ helix	trans	-85.5	-17.5	-178.1	-63.5	-56.5	137.6	0	0	112.8	F62 I63 R180	F62-E65 PolarHBondContact O-N 3.2Å; I63-E65 PolarHBondContact O-N 3.45Å; E65-R180 PolarHBondContact O-NE 3.28Å
66	W	97.9	Very high	93.8	Very high	38 Å²	38	68.4 Å²	68.4	14%	0.144	35%	0.346	C	S	.	.	S	Bend	trans	-81.6	135	-174.9	-61.2	-9.8	0	0	0	111.1	F62 I63 D70 R72 L73 H76 R180 P181	F62-W66 AromaticContact CD2-CH2 3.59Å; F62-W66 HydrophobicContact CD2-CH2 3.59Å; F62-W66 AromaticContact CD2-CZ2 3.59Å; F62-W66 HydrophobicContact CD2-CZ2 3.59Å; F62-W66 HydrophobicContact CD2-CZ3 4.22Å; F62-W66 AromaticContact CE2-CH2 3.5Å; F62-W66 HydrophobicContact CE2-CH2 3.5Å; F62-W66 VanDerWaalsContact CE2-CH2 3.5Å; F62-W66 AromaticContact CE2-CZ2 3.99Å; F62-W66 HydrophobicContact CE2-CZ2 3.99Å; F62-W66 HydrophobicContact CE2-CZ3 4.05Å; I63-W66 HydrophobicContact CB-CE3 4.1Å; I63-W66 HydrophobicContact CB-CZ3 4.47Å; I63-W66 HydrophobicContact CG2-CE3 3.88Å; I63-W66 HydrophobicContact CG2-CH2 4.38Å; I63-W66 HydrophobicContact CG2-CZ3 3.75Å; I63-W66 PolarHBondContact O-N 3.07Å; I63-W66 VanDerWaalsContact O-N 3.15Å; W66-D70 HydrophobicContact CB-CB 4.07Å; W66-R72 HydrophobicContact CD2-CB 4.2Å; W66-R72 HydrophobicContact CE3-CB 4Å; W66-R72 HydrophobicContact CH2-CB 3.76Å; W66-R72 HydrophobicContact CZ2-CB 4.02Å; W66-R72 HydrophobicContact CZ3-CB 3.76Å; W66-R72 WeakPolarHBondContact CZ3-O 3.07Å; W66-L73 HydrophobicContact CB-CB 4.01Å; W66-L73 HydrophobicContact CB-CD2 4.46Å; W66-L73 HydrophobicContact CD2-CB 4.5Å; W66-L73 VanDerWaalsContact CE3-CA 3.46Å; W66-L73 HydrophobicContact CE3-CB 3.75Å; W66-L73 HydrophobicContact CE3-CD1 4.12Å; W66-H76 HydrophobicContact CZ3-CB 3.94Å; W66-R180 WeakPolarHBondContact O-CG 3.43Å; W66-P181 VanDerWaalsContact O-CD 3.27Å; W66-P181 WeakPolarHBondContact O-CD 3.09Å
67	K	97.4	Very high	95.3	Very high	95 Å²	95	63.8 Å²	63.8	41%	0.413	32%	0.316	S	S	.	.			trans	-69.4	158.9	175.2	-71.2	-165.6	172.9	-154.1	0	111.2	D69 D70 L73 E179	K67-D69 PolarHBondContact O-N 3.42Å; K67-D69 VanDerWaalsContact O-N 3.1Å; K67-D70 VanDerWaalsContact O-CB 3.27Å; K67-D70 WeakPolarHBondContact O-CB 3.41Å; K67-D70 PolarHBondContact O-N 2.84Å; K67-L73 VanDerWaalsContact O-CD2 3.26Å; K67-L73 WeakPolarHBondContact O-CD2 3.13Å; K67-E179 CarbonylContact C-O 3.42Å; K67-E179 WeakPolarHBondContact CA-O 3.37Å; K67-E179 IonicContact NZ-OE2 3.64Å
68	S	96.3	Very high	96.4	Very high	8 Å²	8	59.5 Å²	59.5	6%	0.056	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-27.7	-174.6	48.4	0	0	0	0	114.4	E179 E224 T225	S68-E179 WeakPolarHBondContact CB-O 3.25Å; S68-E179 PolarHBondContact N-O 2.81Å; S68-E224 WeakPolarHBondContact CB-OE2 3.45Å; S68-E224 PolarHBondContact OG-OE2 3.19Å; S68-T225 WeakPolarHBondContact CA-OG1 3.44Å; S68-T225 WeakPolarHBondContact CB-OG1 3.41Å; S68-T225 VanDerWaalsContact O-CA 3.28Å; S68-T225 WeakPolarHBondContact O-CA 3.19Å; S68-T225 WeakPolarHBondContact O-CB 3.4Å; S68-T225 PolarHBondContact O-OG1 2.78Å
69	D	96.4	Very high	97	Very high	68 Å²	68	63.2 Å²	63.2	36%	0.364	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.3	11.1	178.1	59.5	4.2	0	0	0	114.3	K67 P71 L228 R257	K67-D69 PolarHBondContact O-N 3.42Å; K67-D69 VanDerWaalsContact O-N 3.1Å; D69-P71 WeakPolarHBondContact O-CD 3.45Å; D69-L228 HydrophobicContact CB-CD1 3.57Å; D69-R257 IonicContact OD2-CZ 2.63Å; D69-R257 IonicContact OD2-NH1 3.94Å; D69-R257 PolarHBondContact OD2-NH1 3.36Å; D69-R257 IonicContact OD2-NH2 3.9Å; D69-R257 PolarHBondContact OD2-NH2 3.3Å
70	D	98.1	Very high	97.3	Very high	27 Å²	27	62 Å²	62	14%	0.144	30%	0.297	C	S	.	.			trans	-63.1	123.2	176.3	-170.3	-50.5	0	0	0	110.4	W66 K67 R72 L73 L74	W66-D70 HydrophobicContact CB-CB 4.07Å; K67-D70 VanDerWaalsContact O-CB 3.27Å; K67-D70 WeakPolarHBondContact O-CB 3.41Å; K67-D70 PolarHBondContact O-N 2.84Å; D70-R72 PolarHBondContact O-N 2.83Å; D70-R72 VanDerWaalsContact O-N 3.07Å; D70-R72 VanDerWaalsContact OD1-CB 3.25Å; D70-R72 WeakPolarHBondContact OD1-CB 3.29Å; D70-R72 WeakPolarHBondContact OD1-CG 3.39Å; D70-R72 IonicContact OD1-CZ 3.53Å; D70-R72 PolarHBondContact OD1-N 3.45Å; D70-R72 IonicContact OD1-NE 3.84Å; D70-R72 PolarHBondContact OD1-NE 3.08Å; D70-R72 IonicContact OD1-NH2 3.74Å; D70-R72 IonicContact OD2-CZ 3.45Å; D70-R72 IonicContact OD2-NE 2.89Å; D70-R72 PolarHBondContact OD2-NE 3.45Å; D70-R72 IonicContact OD2-NH2 2.9Å; D70-R72 PolarHBondContact OD2-NH2 2.98Å; D70-L73 HydrophobicContact CB-CB 4.12Å; D70-L73 WeakPolarHBondContact O-CA 3.4Å; D70-L73 WeakPolarHBondContact O-CB 3.36Å; D70-L73 PolarHBondContact O-N 3.17Å; D70-L74 WeakPolarHBondContact O-CG 3.37Å; D70-L74 PolarHBondContact O-N 2.96Å
71	P	98.4	Very high	97.4	Very high	100 Å²	100	62.5 Å²	62.5	65%	0.649	30%	0.298	S	S	*	.	H	α-helix	trans	-55.3	-31.1	-179	-28.2	35.7	0	0	0	114.3	D69 L74 E75	D69-P71 WeakPolarHBondContact O-CD 3.45Å; P71-L74 PolarHBondContact O-N 2.98Å; P71-E75 PolarHBondContact O-N 2.79Å
72	R	98.3	Very high	97.5	Very high	141 Å²	141	58.3 Å²	58.3	53%	0.532	28%	0.275	S	S	.	.	H	α-helix	trans	-68.2	-40.3	176.2	-58.4	171.4	-68	174.4	0.5	110.9	W66 D70 H76	W66-R72 HydrophobicContact CD2-CB 4.2Å; W66-R72 HydrophobicContact CE3-CB 4Å; W66-R72 HydrophobicContact CH2-CB 3.76Å; W66-R72 HydrophobicContact CZ2-CB 4.02Å; W66-R72 HydrophobicContact CZ3-CB 3.76Å; W66-R72 WeakPolarHBondContact CZ3-O 3.07Å; D70-R72 PolarHBondContact O-N 2.83Å; D70-R72 VanDerWaalsContact O-N 3.07Å; D70-R72 VanDerWaalsContact OD1-CB 3.25Å; D70-R72 WeakPolarHBondContact OD1-CB 3.29Å; D70-R72 WeakPolarHBondContact OD1-CG 3.39Å; D70-R72 IonicContact OD1-CZ 3.53Å; D70-R72 PolarHBondContact OD1-N 3.45Å; D70-R72 IonicContact OD1-NE 3.84Å; D70-R72 PolarHBondContact OD1-NE 3.08Å; D70-R72 IonicContact OD1-NH2 3.74Å; D70-R72 IonicContact OD2-CZ 3.45Å; D70-R72 IonicContact OD2-NE 2.89Å; D70-R72 PolarHBondContact OD2-NE 3.45Å; D70-R72 IonicContact OD2-NH2 2.9Å; D70-R72 PolarHBondContact OD2-NH2 2.98Å; R72-H76 VanDerWaalsContact O-CB 3.25Å; R72-H76 WeakPolarHBondContact O-CB 3.34Å; R72-H76 PolarHBondContact O-N 3.3Å
73	L	98.3	Very high	97.6	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-64.9	-46.9	174.9	-177.8	61.7	0	0	0	110.5	I63 W66 K67 D70 E75 H76 V77 P181 F221 T225	I63-L73 HydrophobicContact CB-CD1 4.09Å; W66-L73 HydrophobicContact CB-CB 4.01Å; W66-L73 HydrophobicContact CB-CD2 4.46Å; W66-L73 HydrophobicContact CD2-CB 4.5Å; W66-L73 VanDerWaalsContact CE3-CA 3.46Å; W66-L73 HydrophobicContact CE3-CB 3.75Å; W66-L73 HydrophobicContact CE3-CD1 4.12Å; K67-L73 VanDerWaalsContact O-CD2 3.26Å; K67-L73 WeakPolarHBondContact O-CD2 3.13Å; D70-L73 HydrophobicContact CB-CB 4.12Å; D70-L73 WeakPolarHBondContact O-CA 3.4Å; D70-L73 WeakPolarHBondContact O-CB 3.36Å; D70-L73 PolarHBondContact O-N 3.17Å; L73-E75 VanDerWaalsContact C-N 3.28Å; L73-E75 PolarHBondContact O-N 2.8Å; L73-H76 PolarHBondContact O-N 3.22Å; L73-V77 HydrophobicContact CD1-CG1 3.83Å; L73-V77 HydrophobicContact CG-CG1 4.25Å; L73-V77 WeakPolarHBondContact O-CG1 3.46Å; L73-V77 WeakPolarHBondContact O-CG2 3.41Å; L73-V77 PolarHBondContact O-N 3.48Å; L73-P181 HydrophobicContact CD1-CG 3.7Å; L73-P181 HydrophobicContact CD2-CG 3.67Å; L73-P181 HydrophobicContact CG-CG 4.35Å; L73-F221 HydrophobicContact CD1-CE1 4.36Å; L73-T225 HydrophobicContact CD2-CG2 3.49Å; L73-T225 VanDerWaalsContact CD2-CG2 3.49Å; L73-T225 HydrophobicContact CG-CG2 3.62Å
74	L	98.5	Very high	97.7	Very high	22 Å²	22	59.2 Å²	59.2	12%	0.115	29%	0.289	C	S	.	.	H	α-helix	trans	-57.7	-42.1	179.4	-59.3	-173.8	0	0	0	111.7	D70 P71 V77 R78 T225 L228 A229	D70-L74 WeakPolarHBondContact O-CG 3.37Å; D70-L74 PolarHBondContact O-N 2.96Å; P71-L74 PolarHBondContact O-N 2.98Å; L74-V77 VanDerWaalsContact O-CG2 3.3Å; L74-V77 WeakPolarHBondContact O-CG2 3.45Å; L74-R78 VanDerWaalsContact O-CG 3.29Å; L74-R78 WeakPolarHBondContact O-CG 3.42Å; L74-R78 PolarHBondContact O-N 3.25Å; L74-T225 HydrophobicContact CD2-CG2 3.93Å; L74-T225 WeakPolarHBondContact CD2-O 3.31Å; L74-L228 HydrophobicContact CD1-CB 3.98Å; L74-L228 HydrophobicContact CD2-CB 3.77Å; L74-A229 HydrophobicContact CD2-CB 4.4Å
75	E	98.4	Very high	97.8	Very high	83 Å²	83	59.8 Å²	59.8	39%	0.388	29%	0.29	S	S	.	.	H	α-helix	trans	-69.6	-43.9	176.3	-171.8	55.9	-157.2	0	0	112.3	P71 L73 V77 R78 Q79	P71-E75 PolarHBondContact O-N 2.79Å; L73-E75 VanDerWaalsContact C-N 3.28Å; L73-E75 PolarHBondContact O-N 2.8Å; E75-V77 VanDerWaalsContact C-N 3.35Å; E75-V77 PolarHBondContact O-N 2.81Å; E75-R78 WeakPolarHBondContact O-CB 3.48Å; E75-R78 PolarHBondContact O-N 3.47Å; E75-R78 IonicContact OE2-NH1 2.83Å; E75-R78 PolarHBondContact OE2-NH1 3.08Å; E75-Q79 WeakPolarHBondContact O-CG 3.47Å; E75-Q79 PolarHBondContact O-N 2.81Å; E75-Q79 VanDerWaalsContact O-N 3.08Å; E75-Q79 PolarHBondContact OE1-NE2 3.1Å
76	H	98.3	Very high	97.8	Very high	22 Å²	22	53.9 Å²	53.9	10%	0.102	27%	0.266	C	S	.	.	H	α-helix	trans	-60.7	-43.2	179.4	-169.8	89	0	0	0	112.2	D60 F62 W66 R72 L73 R78 Q79 H80 Y81	D60-H76 IonicContact OD2-CD2 3.31Å; D60-H76 IonicContact OD2-CE1 3.9Å; D60-H76 IonicContact OD2-NE2 3.93Å; D60-H76 PolarHBondContact OD2-NE2 2.97Å; F62-H76 AromaticContact CE2-CE1 3.92Å; F62-H76 AromaticContact CE2-ND1 4Å; F62-H76 AromaticContact CZ-CE1 3.7Å; W66-H76 HydrophobicContact CZ3-CB 3.94Å; R72-H76 VanDerWaalsContact O-CB 3.25Å; R72-H76 WeakPolarHBondContact O-CB 3.34Å; R72-H76 PolarHBondContact O-N 3.3Å; L73-H76 PolarHBondContact O-N 3.22Å; H76-R78 PolarHBondContact O-N 3.28Å; H76-Q79 PolarHBondContact O-N 2.8Å; H76-H80 AromaticContact CD2-CD2 3.99Å; H76-H80 AromaticContact CE1-CD2 3.44Å; H76-H80 PolarHBondContact CE1-CD2 3.44Å; H76-H80 VanDerWaalsContact CE1-CD2 3.44Å; H76-H80 AromaticContact CE1-NE2 3.99Å; H76-H80 AromaticContact CG-CD2 3.86Å; H76-H80 AromaticContact ND1-CD2 3.54Å; H76-H80 AromaticContact NE2-CD2 3.73Å; H76-H80 WeakPolarHBondContact O-CB 3.36Å; H76-H80 PolarHBondContact O-CD2 2.87Å; H76-H80 VanDerWaalsContact O-CD2 3.29Å; H76-H80 PolarHBondContact O-N 2.85Å; H76-Y81 AromaticContact CD2-CE2 3.82Å; H76-Y81 AromaticContact NE2-CE2 3.79Å
77	V	98.1	Very high	97.8	Very high	0 Å²	0	55 Å²	55	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-68.6	-34.2	178.3	-58.4	0	0	0	0	112.2	L73 L74 E75 Q79 Y81 L82 F221 T225 M226 A229	L73-V77 HydrophobicContact CD1-CG1 3.83Å; L73-V77 HydrophobicContact CG-CG1 4.25Å; L73-V77 WeakPolarHBondContact O-CG1 3.46Å; L73-V77 WeakPolarHBondContact O-CG2 3.41Å; L73-V77 PolarHBondContact O-N 3.48Å; L74-V77 VanDerWaalsContact O-CG2 3.3Å; L74-V77 WeakPolarHBondContact O-CG2 3.45Å; E75-V77 VanDerWaalsContact C-N 3.35Å; E75-V77 PolarHBondContact O-N 2.81Å; V77-Q79 VanDerWaalsContact C-N 3.33Å; V77-Q79 PolarHBondContact O-N 2.91Å; V77-Y81 HydrophobicContact CG1-CD2 4.39Å; V77-Y81 CarbonylContact O-C 3.53Å; V77-Y81 WeakPolarHBondContact O-CA 3.36Å; V77-Y81 PolarHBondContact O-N 3.29Å; V77-L82 HydrophobicContact CG2-CD1 4.41Å; V77-L82 PolarHBondContact O-N 3.05Å; V77-F221 HydrophobicContact CG1-CD1 3.97Å; V77-F221 HydrophobicContact CG1-CE1 3.53Å; V77-F221 HydrophobicContact CG1-CZ 4.06Å; V77-T225 HydrophobicContact CG1-CG2 4.25Å; V77-T225 HydrophobicContact CG2-CG2 4.2Å; V77-M226 HydrophobicContact CB-CE 3.77Å; V77-M226 HydrophobicContact CG1-CE 3.73Å; V77-M226 HydrophobicContact CG2-CE 3.76Å; V77-A229 HydrophobicContact CG2-CB 3.65Å
78	R	98.1	Very high	97.7	Very high	99 Å²	99	56 Å²	56	37%	0.374	28%	0.281	S	S	.	.	H	α-helix	trans	-61.6	-41.8	172.8	-75.4	177.3	-168.4	120.1	4.3	112.1	L74 E75 H76 L228 A229	L74-R78 VanDerWaalsContact O-CG 3.29Å; L74-R78 WeakPolarHBondContact O-CG 3.42Å; L74-R78 PolarHBondContact O-N 3.25Å; E75-R78 WeakPolarHBondContact O-CB 3.48Å; E75-R78 PolarHBondContact O-N 3.47Å; E75-R78 IonicContact OE2-NH1 2.83Å; E75-R78 PolarHBondContact OE2-NH1 3.08Å; H76-R78 PolarHBondContact O-N 3.28Å; R78-L228 PolarHBondContact NH2-O 2.76Å; R78-A229 HydrophobicContact CG-CB 4.07Å; R78-A229 VanDerWaalsContact CZ-O 3.31Å; R78-A229 PolarHBondContact NE-O 2.94Å; R78-A229 PolarHBondContact NH2-O 2.71Å
79	Q	97.1	Very high	97.7	Very high	120 Å²	120	60.4 Å²	60.4	56%	0.561	31%	0.312	S	S	*	.	H	α-helix	trans	-77.8	-34.4	-175.4	-68.1	-178.1	-2.1	0	0	112.7	E75 H76 V77	E75-Q79 WeakPolarHBondContact O-CG 3.47Å; E75-Q79 PolarHBondContact O-N 2.81Å; E75-Q79 VanDerWaalsContact O-N 3.08Å; E75-Q79 PolarHBondContact OE1-NE2 3.1Å; H76-Q79 PolarHBondContact O-N 2.8Å; V77-Q79 VanDerWaalsContact C-N 3.33Å; V77-Q79 PolarHBondContact O-N 2.91Å
80	H	96.3	Very high	97.8	Very high	89 Å²	89	60.6 Å²	60.6	41%	0.412	31%	0.312	S	S	.	.	H	α-helix	trans	-115.8	-30.6	-166.8	-61.1	-63.3	0	0	0	114.8	H76 K172	H76-H80 AromaticContact CD2-CD2 3.99Å; H76-H80 AromaticContact CE1-CD2 3.44Å; H76-H80 PolarHBondContact CE1-CD2 3.44Å; H76-H80 VanDerWaalsContact CE1-CD2 3.44Å; H76-H80 AromaticContact CE1-NE2 3.99Å; H76-H80 AromaticContact CG-CD2 3.86Å; H76-H80 AromaticContact ND1-CD2 3.54Å; H76-H80 AromaticContact NE2-CD2 3.73Å; H76-H80 WeakPolarHBondContact O-CB 3.36Å; H76-H80 PolarHBondContact O-CD2 2.87Å; H76-H80 VanDerWaalsContact O-CD2 3.29Å; H76-H80 PolarHBondContact O-N 2.85Å; H80-K172 WeakPolarHBondContact O-CE 3.33Å; H80-K172 PolarHBondContact O-NZ 2.87Å
81	Y	97.2	Very high	97.7	Very high	23 Å²	23	64.3 Å²	64.3	9%	0.09	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.2	-31.1	-169.1	-68.7	-80.7	0	0	0	114.2	D60 I63 H76 V77 K172 W219 F221	D60-Y81 PolarHBondContact OD1-OH 2.87Å; D60-Y81 VanDerWaalsContact OD1-OH 3.09Å; D60-Y81 WeakPolarHBondContact OD2-CE2 3.38Å; D60-Y81 VanDerWaalsContact OD2-CZ 3.25Å; D60-Y81 PolarHBondContact OD2-OH 2.6Å; I63-Y81 HydrophobicContact CD1-CE2 4.3Å; H76-Y81 AromaticContact CD2-CE2 3.82Å; H76-Y81 AromaticContact NE2-CE2 3.79Å; V77-Y81 HydrophobicContact CG1-CD2 4.39Å; V77-Y81 CarbonylContact O-C 3.53Å; V77-Y81 WeakPolarHBondContact O-CA 3.36Å; V77-Y81 PolarHBondContact O-N 3.29Å; Y81-K172 PolarHBondContact O-N 2.98Å; Y81-W219 HydrophobicContact CE1-CB 4.23Å; Y81-W219 AromaticContact CE1-CD1 3.75Å; Y81-W219 HydrophobicContact CE1-CG 4.35Å; Y81-W219 AromaticContact CZ-CD1 3.5Å; Y81-W219 PolarHBondContact OH-NE1 3.19Å; Y81-F221 AromaticContact CD1-CE2 3.96Å; Y81-F221 HydrophobicContact CD1-CE2 3.96Å; Y81-F221 AromaticContact CD1-CZ 3.94Å; Y81-F221 HydrophobicContact CD1-CZ 3.94Å; Y81-F221 AromaticContact CD2-CZ 3.89Å; Y81-F221 HydrophobicContact CD2-CZ 3.89Å; Y81-F221 HydrophobicContact CE1-CZ 4.26Å; Y81-F221 HydrophobicContact CE2-CZ 4.19Å; Y81-F221 HydrophobicContact CG-CE2 4.04Å; Y81-F221 AromaticContact CG-CZ 3.77Å; Y81-F221 HydrophobicContact CG-CZ 3.77Å
82	L	98.3	Very high	97.7	Very high	7 Å²	7	62.6 Å²	62.6	4%	0.037	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	134.2	175.2	-70.4	172.3	0	0	0	111	V77 L149 W169 V170 L171 M226 A229 I230	V77-L82 HydrophobicContact CG2-CD1 4.41Å; V77-L82 PolarHBondContact O-N 3.05Å; L82-L149 HydrophobicContact CD2-CD1 3.95Å; L82-W169 HydrophobicContact CB-CE3 4.09Å; L82-W169 HydrophobicContact CB-CZ3 4.3Å; L82-V170 CarbonylContact C-O 3.59Å; L82-V170 WeakPolarHBondContact CA-O 3.34Å; L82-L171 HydrophobicContact CD2-CB 4.17Å; L82-M226 HydrophobicContact CD2-SD 4.02Å; L82-M226 HydrophobicContact CG-SD 4.27Å; L82-A229 HydrophobicContact CD1-CB 3.68Å; L82-I230 HydrophobicContact CD1-CG1 4.14Å; L82-I230 HydrophobicContact CD2-CD1 4.47Å
83	I	98.3	Very high	97.7	Very high	42 Å²	42	60.4 Å²	60.4	22%	0.215	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	129.4	169.8	-63.1	173.9	0	0	0	107.6	L162 W169 V170 K172	I83-L162 HydrophobicContact CB-CD2 4.43Å; I83-L162 HydrophobicContact CD1-CD1 3.67Å; I83-L162 HydrophobicContact CD1-CD2 3.65Å; I83-L162 HydrophobicContact CD1-CG 4.29Å; I83-L162 HydrophobicContact CG2-CD2 4.02Å; I83-W169 WeakPolarHBondContact O-CA 3.48Å; I83-V170 HydrophobicContact CB-CB 4.23Å; I83-V170 PolarHBondContact N-O 2.84Å; I83-V170 PolarHBondContact O-N 2.93Å; I83-K172 HydrophobicContact CD1-CD 3.66Å; I83-K172 HydrophobicContact CD1-CG 3.87Å; I83-K172 HydrophobicContact CG1-CD 4.24Å; I83-K172 HydrophobicContact CG1-CG 4.41Å
84	P	98.2	Very high	97.6	Very high	83 Å²	83	61.2 Å²	61.2	54%	0.539	32%	0.322	S	S	.	.	P	Polyproline II helix	trans	-67.5	154.8	179.8	28.6	-35.4	0	0	0	111.9	W169	P84-W169 HydrophobicContact CB-CE3 4.36Å; P84-W169 HydrophobicContact CB-CH2 4.12Å; P84-W169 HydrophobicContact CB-CZ3 3.91Å
85	P	98.4	Very high	97.5	Very high	45 Å²	45	66.2 Å²	66.2	29%	0.292	35%	0.353	S	S	.	.	P	Polyproline II helix	trans	-52.5	142.9	173.9	-24.5	31.9	0	0	0	112.5	A168 W169	P85-A168 WeakPolarHBondContact CA-O 3.47Å; P85-W169 HydrophobicContact CG-CD2 4.43Å; P85-W169 HydrophobicContact CG-CG 4.2Å
86	A	98	Very high	97.3	Very high	20 Å²	20	65.8 Å²	65.8	17%	0.165	35%	0.353	C	S	.	.	P	Polyproline II helix	trans	-60.4	144.6	167.1	0	0	0	0	0	109.7	R88 Q165 R166 K167	A86-R88 PolarHBondContact O-N 2.6Å; A86-Q165 HydrophobicContact CB-CB 4.11Å; A86-R166 WeakPolarHBondContact CB-O 3.19Å; A86-R166 PolarHBondContact N-O 2.83Å; A86-R166 VanDerWaalsContact N-O 3.1Å; A86-K167 HydrophobicContact CB-CD 4.41Å; A86-K167 WeakPolarHBondContact O-CD 3.37Å
87	S	97.2	Very high	97.1	Very high	60 Å²	60	68.6 Å²	68.6	42%	0.42	38%	0.375	S	S	.	.	P	Polyproline II helix	trans	-53.8	141.1	175.7	175.5	0	0	0	0	110.7	S89 I90 K167	S87-S89 PolarHBondContact O-N 3.3Å; S87-S89 PolarHBondContact OG-N 3.15Å; S87-S89 VanDerWaalsContact OG-N 3.15Å; S87-S89 PolarHBondContact OG-OG 2.86Å; S87-I90 WeakPolarHBondContact O-CB 2.96Å; S87-I90 PolarHBondContact O-N 2.83Å; S87-K167 VanDerWaalsContact O-CE 3.29Å; S87-K167 WeakPolarHBondContact O-CE 3.37Å; S87-K167 PolarHBondContact O-NZ 2.84Å
88	R	95.8	Very high	96.9	Very high	116 Å²	116	71.9 Å²	71.9	44%	0.438	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-18.4	173.1	-71.2	-167.1	178.3	-81.3	-0.3	112.9	A86 I90 N145 W146 K167	A86-R88 PolarHBondContact O-N 2.6Å; R88-I90 VanDerWaalsContact C-N 3.28Å; R88-N145 PolarHBondContact NE-OD1 2.89Å; R88-N145 PolarHBondContact NH1-OD1 3.28Å; R88-N145 PolarHBondContact NH2-O 3.13Å; R88-N145 PolarHBondContact NH2-OD1 2.77Å; R88-W146 PolarHBondContact NH2-O 3.03Å; R88-W146 VanDerWaalsContact NH2-O 3.12Å; R88-K167 HydrophobicContact CG-CD 4.23Å; R88-K167 HydrophobicContact CG-CG 4.38Å
89	S	96.6	Very high	96.9	Very high	102 Å²	102	72.1 Å²	72.1	71%	0.713	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-19.5	171.9	62.8	0	0	0	0	113.7	S87	S87-S89 PolarHBondContact O-N 3.3Å; S87-S89 PolarHBondContact OG-N 3.15Å; S87-S89 VanDerWaalsContact OG-N 3.15Å; S87-S89 PolarHBondContact OG-OG 2.86Å
90	I	97.2	Very high	96.9	Very high	72 Å²	72	69.3 Å²	69.3	37%	0.369	40%	0.401	S	S	.	.	S	Bend	trans	-87.3	125.4	178.8	-61	171.1	0	0	0	108.3	S87 R88 Q165 K167	S87-I90 WeakPolarHBondContact O-CB 2.96Å; S87-I90 PolarHBondContact O-N 2.83Å; R88-I90 VanDerWaalsContact C-N 3.28Å; I90-Q165 HydrophobicContact CG2-CB 4.23Å; I90-Q165 HydrophobicContact CG2-CG 4.04Å; I90-K167 VanDerWaalsContact O-CE 3.32Å; I90-K167 WeakPolarHBondContact O-CE 3.34Å; I90-K167 PolarHBondContact O-NZ 2.93Å
91	P	97	Very high	96.9	Very high	104 Å²	104	67.6 Å²	67.6	68%	0.675	39%	0.393	S	S	*	.	P	Polyproline II helix	trans	-59.7	152.8	175.1	-22.9	33.1	0	0	0	112.6
92	Y	98	Very high	96.9	Very high	64 Å²	64	66.7 Å²	66.7	25%	0.251	39%	0.389	S	S	.	.	P	Polyproline II helix	trans	-65.1	146.1	166.9	-69.8	-85.9	0	0	0	110.9	L138 E141 R142 K167	Y92-L138 HydrophobicContact CE1-CD1 4.4Å; Y92-E141 WeakPolarHBondContact CE1-OE1 3.14Å; Y92-E141 PolarHBondContact OH-OE1 3.43Å; Y92-R142 HydrophobicContact CD2-CG 4.35Å; Y92-R142 HydrophobicContact CE1-CG 4.04Å; Y92-R142 HydrophobicContact CE2-CG 3.8Å; Y92-K167 HydrophobicContact CE1-CG 4.15Å; Y92-K167 HydrophobicContact CE2-CG 4.41Å; Y92-K167 VanDerWaalsContact OH-CG 3.27Å; Y92-K167 WeakPolarHBondContact OH-CG 3.17Å
93	N	97.8	Very high	96.8	Very high	96 Å²	96	66.7 Å²	66.7	51%	0.513	39%	0.389	S	S	.	.			trans	-113.3	64.8	174.5	-177.5	36.9	0	0	0	110	S163 K164	N93-S163 VanDerWaalsContact CB-O 3.29Å; N93-S163 WeakPolarHBondContact CB-O 3.28Å; N93-S163 PolarHBondContact ND2-O 2.76Å; N93-K164 PolarHBondContact N-O 3.13Å; N93-K164 VanDerWaalsContact N-O 3.07Å; N93-K164 VanDerWaalsContact O-CD 3.23Å; N93-K164 WeakPolarHBondContact O-CD 3.18Å
94	L	97.5	Very high	96.4	Very high	17 Å²	17	69.3 Å²	69.3	9%	0.089	40%	0.401	C	S	.	.			trans	-88.5	145.9	179.6	-55.2	179.6	0	0	0	110.7	F102 E132 L138 K164	L94-F102 HydrophobicContact CD1-CZ 4.27Å; L94-E132 VanDerWaalsContact CA-OE2 3.31Å; L94-E132 WeakPolarHBondContact CA-OE2 3.43Å; L94-E132 HydrophobicContact CD2-CB 4.3Å; L94-E132 HydrophobicContact CD2-CG 4.1Å; L94-L138 HydrophobicContact CD1-CD2 3.98Å; L94-L138 HydrophobicContact CD2-CD1 4.48Å; L94-L138 HydrophobicContact CD2-CD2 4.01Å; L94-K164 HydrophobicContact CD2-CB 4.33Å; L94-K164 HydrophobicContact CD2-CD 4.41Å
95	V	96.6	Very high	96.2	Very high	127 Å²	127	70.8 Å²	70.8	77%	0.77	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-44.4	173.3	173.7	0	0	0	0	110	E132	V95-E132 VanDerWaalsContact N-CD 3.31Å; V95-E132 PolarHBondContact N-OE1 3.1Å; V95-E132 PolarHBondContact N-OE2 2.54Å
96	D	94.1	Very high	96	Very high	74 Å²	74	76.6 Å²	76.6	40%	0.396	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.5	68.5	178.2	-169.5	-4.6	0	0	0	110.4	G98 R99 F102 E132	D96-G98 PolarHBondContact O-N 3.08Å; D96-R99 HydrophobicContact CB-CB 4.21Å; D96-R99 PolarHBondContact O-N 2.66Å; D96-R99 WeakPolarHBondContact OD1-CB 3.38Å; D96-R99 PolarHBondContact OD1-N 3.38Å; D96-R99 VanDerWaalsContact OD2-CB 3.32Å; D96-R99 WeakPolarHBondContact OD2-CB 3.27Å; D96-R99 VanDerWaalsContact OD2-CD 3.24Å; D96-R99 WeakPolarHBondContact OD2-CD 3.46Å; D96-F102 HydrophobicContact CB-CE1 4.46Å; D96-F102 WeakPolarHBondContact O-CZ 3.3Å; D96-E132 PolarHBondContact N-OE1 2.79Å
97	S	93.2	Very high	95.9	Very high	81 Å²	81	76 Å²	76	57%	0.566	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-24.8	-176.4	64.1	0	0	0	0	113.7	R142	S97-R142 PolarHBondContact O-NH2 3.32Å
98	G	95	Very high	95.9	Very high	68 Å²	68	73.2 Å²	73.2	70%	0.701	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-19.8	179.3	0	0	0	0	0	113.9	D96	D96-G98 PolarHBondContact O-N 3.08Å
99	R	96.4	Very high	95.9	Very high	104 Å²	104	70.9 Å²	70.9	39%	0.392	38%	0.383	S	S	.	.			trans	-74.3	139.5	178.9	-178.2	168.4	-176.5	-176.8	-5.3	111.7	D96 F101 F102 R142	D96-R99 HydrophobicContact CB-CB 4.21Å; D96-R99 PolarHBondContact O-N 2.66Å; D96-R99 WeakPolarHBondContact OD1-CB 3.38Å; D96-R99 PolarHBondContact OD1-N 3.38Å; D96-R99 VanDerWaalsContact OD2-CB 3.32Å; D96-R99 WeakPolarHBondContact OD2-CB 3.27Å; D96-R99 VanDerWaalsContact OD2-CD 3.24Å; D96-R99 WeakPolarHBondContact OD2-CD 3.46Å; R99-F101 VanDerWaalsContact CG-O 3.24Å; R99-F101 WeakPolarHBondContact CG-O 3.23Å; R99-F101 PolarHBondContact NE-O 2.9Å; R99-F102 HydrophobicContact CB-CE1 3.97Å; R99-F102 HydrophobicContact CB-CE2 4.24Å; R99-F102 HydrophobicContact CB-CZ 3.7Å; R99-F102 HydrophobicContact CG-CD1 4.3Å; R99-F102 HydrophobicContact CG-CD2 4.42Å; R99-F102 HydrophobicContact CG-CE1 4.04Å; R99-F102 HydrophobicContact CG-CE2 4.15Å; R99-F102 HydrophobicContact CG-CG 4.48Å; R99-F102 HydrophobicContact CG-CZ 3.95Å; R99-F102 WeakPolarHBondContact O-CE2 3.43Å; R99-F102 WeakPolarHBondContact O-CZ 3.17Å; R99-R142 PolarHBondContact O-NH1 2.96Å
100	T	97	Very high	95.8	Very high	62 Å²	62	66.5 Å²	66.5	38%	0.38	35%	0.352	S	S	.	.	S	Bend	trans	-95.6	-43.4	-178.4	-55.7	0	0	0	0	112.6	Y139 Q143	T100-Y139 HydrophobicContact CG2-CD2 3.73Å; T100-Y139 HydrophobicContact CG2-CE2 3.92Å; T100-Q143 HydrophobicContact CG2-CG 4.32Å
101	F	97.6	Very high	95.8	Very high	53 Å²	53	63 Å²	63	23%	0.232	33%	0.334	C	S	.	.			trans	-118.9	130.2	-176.9	-70	-74.8	0	0	0	109.3	R99 D108 Q109 A112 Y139	R99-F101 VanDerWaalsContact CG-O 3.24Å; R99-F101 WeakPolarHBondContact CG-O 3.23Å; R99-F101 PolarHBondContact NE-O 2.9Å; F101-D108 VanDerWaalsContact C-OD2 3.24Å; F101-D108 WeakPolarHBondContact CA-OD2 3.45Å; F101-D108 VanDerWaalsContact CB-OD2 3.26Å; F101-D108 WeakPolarHBondContact CB-OD2 3.36Å; F101-D108 HydrophobicContact CD1-CB 4.06Å; F101-Q109 HydrophobicContact CB-CG 4.01Å; F101-Q109 HydrophobicContact CD1-CB 4.39Å; F101-Q109 HydrophobicContact CD1-CG 3.53Å; F101-Q109 HydrophobicContact CD2-CG 3.68Å; F101-Q109 HydrophobicContact CE1-CB 4.34Å; F101-Q109 HydrophobicContact CE1-CG 3.81Å; F101-Q109 HydrophobicContact CE2-CG 3.96Å; F101-Q109 HydrophobicContact CG-CG 3.45Å; F101-Q109 VanDerWaalsContact CG-CG 3.45Å; F101-Q109 HydrophobicContact CZ-CG 4.01Å; F101-A112 HydrophobicContact CE1-CB 3.94Å; F101-A112 HydrophobicContact CZ-CB 4.36Å; F101-Y139 HydrophobicContact CD1-CD1 4.36Å; F101-Y139 AromaticContact CD1-CD2 3.81Å; F101-Y139 HydrophobicContact CD1-CD2 3.81Å; F101-Y139 HydrophobicContact CD1-CE2 4.45Å; F101-Y139 AromaticContact CD1-CG 3.76Å; F101-Y139 HydrophobicContact CD1-CG 3.76Å; F101-Y139 AromaticContact CE1-CD1 3.68Å; F101-Y139 HydrophobicContact CE1-CD1 3.68Å; F101-Y139 AromaticContact CE1-CD2 3.36Å; F101-Y139 HydrophobicContact CE1-CD2 3.36Å; F101-Y139 AromaticContact CE1-CE1 3.91Å; F101-Y139 HydrophobicContact CE1-CE1 3.91Å; F101-Y139 AromaticContact CE1-CE2 3.59Å; F101-Y139 HydrophobicContact CE1-CE2 3.59Å; F101-Y139 AromaticContact CE1-CG 3.4Å; F101-Y139 HydrophobicContact CE1-CG 3.4Å; F101-Y139 VanDerWaalsContact CE1-CG 3.4Å; F101-Y139 AromaticContact CE1-CZ 3.86Å; F101-Y139 HydrophobicContact CE2-CD2 4.32Å; F101-Y139 HydrophobicContact CE2-CE2 4.2Å; F101-Y139 HydrophobicContact CG-CD2 4.48Å; F101-Y139 HydrophobicContact CZ-CD1 4.44Å; F101-Y139 AromaticContact CZ-CD2 3.65Å; F101-Y139 HydrophobicContact CZ-CD2 3.65Å; F101-Y139 HydrophobicContact CZ-CE1 4.28Å; F101-Y139 AromaticContact CZ-CE2 3.43Å; F101-Y139 HydrophobicContact CZ-CE2 3.43Å; F101-Y139 VanDerWaalsContact CZ-CE2 3.43Å; F101-Y139 HydrophobicContact CZ-CG 4.15Å; F101-Y139 AromaticContact CZ-CZ 3.78Å
102	F	97.3	Very high	95.8	Very high	4 Å²	4	58.5 Å²	58.5	2%	0.018	31%	0.306	C	S	.	.			trans	-114.4	-17.5	-167.9	-70.7	-98.3	0	0	0	113.4	L94 D96 R99 D108 E132 Y134 S135 L138	L94-F102 HydrophobicContact CD1-CZ 4.27Å; D96-F102 HydrophobicContact CB-CE1 4.46Å; D96-F102 WeakPolarHBondContact O-CZ 3.3Å; R99-F102 HydrophobicContact CB-CE1 3.97Å; R99-F102 HydrophobicContact CB-CE2 4.24Å; R99-F102 HydrophobicContact CB-CZ 3.7Å; R99-F102 HydrophobicContact CG-CD1 4.3Å; R99-F102 HydrophobicContact CG-CD2 4.42Å; R99-F102 HydrophobicContact CG-CE1 4.04Å; R99-F102 HydrophobicContact CG-CE2 4.15Å; R99-F102 HydrophobicContact CG-CG 4.48Å; R99-F102 HydrophobicContact CG-CZ 3.95Å; R99-F102 WeakPolarHBondContact O-CE2 3.43Å; R99-F102 WeakPolarHBondContact O-CZ 3.17Å; F102-D108 PolarHBondContact N-OD2 3.44Å; F102-E132 WeakPolarHBondContact CB-O 3.39Å; F102-E132 HydrophobicContact CD1-CG 3.85Å; F102-E132 WeakPolarHBondContact CD1-O 3.44Å; F102-E132 HydrophobicContact CE1-CG 3.72Å; F102-Y134 WeakPolarHBondContact O-CA 3.32Å; F102-Y134 PolarHBondContact O-N 3.32Å; F102-S135 WeakPolarHBondContact CB-O 3.08Å; F102-L138 HydrophobicContact CD1-CD2 4.02Å; F102-L138 HydrophobicContact CD2-CB 4.21Å; F102-L138 HydrophobicContact CD2-CD2 3.72Å; F102-L138 HydrophobicContact CD2-CG 4.11Å; F102-L138 HydrophobicContact CE1-CD2 4.02Å; F102-L138 HydrophobicContact CE2-CD2 3.73Å; F102-L138 HydrophobicContact CE2-CG 4.17Å; F102-L138 HydrophobicContact CG-CD2 3.88Å; F102-L138 HydrophobicContact CZ-CD2 3.88Å
103	S	95	Very high	95.7	Very high	6 Å²	6	63.1 Å²	63.1	4%	0.042	33%	0.327	C	S	.	.	B	Isolated β-bridge	trans	-62.8	151.6	-174.4	96	0	0	0	0	112.5	K105 R106 Q107 D108 S135 N136	S103-K105 VanDerWaalsContact C-N 3.34Å; S103-K105 PolarHBondContact O-N 2.7Å; S103-R106 WeakPolarHBondContact OG-CA 3.36Å; S103-R106 PolarHBondContact OG-N 3Å; S103-Q107 PolarHBondContact OG-N 2.79Å; S103-Q107 PolarHBondContact OG-OE1 2.85Å; S103-D108 VanDerWaalsContact CB-CG 3.44Å; S103-D108 PolarHBondContact N-OD2 3.17Å; S103-D108 PolarHBondContact OG-N 2.99Å; S103-D108 PolarHBondContact OG-OD1 3.09Å; S103-S135 PolarHBondContact N-O 2.85Å; S103-N136 VanDerWaalsContact CB-OD1 3.29Å; S103-N136 WeakPolarHBondContact CB-OD1 3.46Å
104	Q	91.6	Very high	95.6	Very high	98 Å²	98	60 Å²	60	46%	0.458	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-36.7	-170.4	-165.7	-169.9	67.9	0	0	113.1	Y134	Q104-Y134 HydrophobicContact CB-CD1 3.57Å; Q104-Y134 HydrophobicContact CB-CE1 4.07Å; Q104-Y134 HydrophobicContact CB-CG 3.9Å; Q104-Y134 HydrophobicContact CG-CD1 3.73Å; Q104-Y134 HydrophobicContact CG-CE1 3.69Å; Q104-Y134 HydrophobicContact CG-CG 4.22Å
105	K	93.5	Very high	95.5	Very high	113 Å²	113	59.5 Å²	59.5	49%	0.491	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128.8	26.7	-171.3	-55.9	-65.8	-179.8	-169.6	0	112.7	S103 Q107 A305	S103-K105 VanDerWaalsContact C-N 3.34Å; S103-K105 PolarHBondContact O-N 2.7Å; K105-Q107 VanDerWaalsContact C-N 3.26Å; K105-Q107 VanDerWaalsContact C-OE1 3.3Å; K105-Q107 VanDerWaalsContact CA-OE1 3.32Å; K105-Q107 PolarHBondContact O-N 3.2Å; K105-A305 HydrophobicContact CB-CB 3.76Å; K105-A305 HydrophobicContact CD-CB 4.29Å; K105-A305 HydrophobicContact CG-CB 3.58Å
106	R	94.4	Very high	95.5	Very high	168 Å²	168	60 Å²	60	63%	0.634	31%	0.306	S	S	*	.	S	Bend	trans	65.8	20.7	179.2	-48	176.9	179.5	177.6	-2.4	114.6	S103 D108 Q109 V110	S103-R106 WeakPolarHBondContact OG-CA 3.36Å; S103-R106 PolarHBondContact OG-N 3Å; R106-D108 PolarHBondContact O-N 3.19Å; R106-Q109 HydrophobicContact CB-CB 4.35Å; R106-Q109 HydrophobicContact CB-CG 4.37Å; R106-Q109 PolarHBondContact O-N 2.6Å; R106-V110 WeakPolarHBondContact O-CG2 3.28Å; R106-V110 PolarHBondContact O-N 3.14Å
107	Q	95.2	Very high	95.6	Very high	8 Å²	8	58.2 Å²	58.2	4%	0.037	30%	0.304	C	S	.	.	H	α-helix	trans	-54.5	-44.1	173.2	-53.7	97	-45.2	0	0	111.5	S103 K105 Q109 V110 V111 Q264 I304 D307	S103-Q107 PolarHBondContact OG-N 2.79Å; S103-Q107 PolarHBondContact OG-OE1 2.85Å; K105-Q107 VanDerWaalsContact C-N 3.26Å; K105-Q107 VanDerWaalsContact C-OE1 3.3Å; K105-Q107 VanDerWaalsContact CA-OE1 3.32Å; K105-Q107 PolarHBondContact O-N 3.2Å; Q107-Q109 VanDerWaalsContact C-N 3.34Å; Q107-Q109 PolarHBondContact O-N 2.72Å; Q107-V110 WeakPolarHBondContact O-CB 3.35Å; Q107-V110 PolarHBondContact O-N 3.35Å; Q107-V111 PolarHBondContact O-N 2.86Å; Q107-Q264 VanDerWaalsContact CB-OE1 3.22Å; Q107-I304 HydrophobicContact CG-CB 4.37Å; Q107-I304 HydrophobicContact CG-CG2 4.06Å; Q107-D307 PolarHBondContact NE2-OD2 3.32Å
108	D	96.3	Very high	95.8	Very high	1 Å²	1	58.4 Å²	58.4	1%	0.005	30%	0.295	C	S	.	.	H	α-helix	trans	-56.5	-41.4	177	57.4	2.2	0	0	0	113.6	F101 F102 S103 R106 V110 A112	F101-D108 VanDerWaalsContact C-OD2 3.24Å; F101-D108 WeakPolarHBondContact CA-OD2 3.45Å; F101-D108 VanDerWaalsContact CB-OD2 3.26Å; F101-D108 WeakPolarHBondContact CB-OD2 3.36Å; F101-D108 HydrophobicContact CD1-CB 4.06Å; F102-D108 PolarHBondContact N-OD2 3.44Å; S103-D108 VanDerWaalsContact CB-CG 3.44Å; S103-D108 PolarHBondContact N-OD2 3.17Å; S103-D108 PolarHBondContact OG-N 2.99Å; S103-D108 PolarHBondContact OG-OD1 3.09Å; R106-D108 PolarHBondContact O-N 3.19Å; D108-V110 VanDerWaalsContact C-N 3.26Å; D108-V110 PolarHBondContact O-N 3.14Å; D108-A112 WeakPolarHBondContact O-CB 3.47Å; D108-A112 PolarHBondContact O-N 2.78Å
109	Q	96.5	Very high	96	Very high	66 Å²	66	60.5 Å²	60.5	31%	0.308	29%	0.285	S	S	.	.	H	α-helix	trans	-64.2	-32.6	175.9	-66.1	177.7	17.2	0	0	112.4	F101 R106 Q107 K113	F101-Q109 HydrophobicContact CB-CG 4.01Å; F101-Q109 HydrophobicContact CD1-CB 4.39Å; F101-Q109 HydrophobicContact CD1-CG 3.53Å; F101-Q109 HydrophobicContact CD2-CG 3.68Å; F101-Q109 HydrophobicContact CE1-CB 4.34Å; F101-Q109 HydrophobicContact CE1-CG 3.81Å; F101-Q109 HydrophobicContact CE2-CG 3.96Å; F101-Q109 HydrophobicContact CG-CG 3.45Å; F101-Q109 VanDerWaalsContact CG-CG 3.45Å; F101-Q109 HydrophobicContact CZ-CG 4.01Å; R106-Q109 HydrophobicContact CB-CB 4.35Å; R106-Q109 HydrophobicContact CB-CG 4.37Å; R106-Q109 PolarHBondContact O-N 2.6Å; Q107-Q109 VanDerWaalsContact C-N 3.34Å; Q107-Q109 PolarHBondContact O-N 2.72Å; Q109-K113 WeakPolarHBondContact O-CG 3.27Å; Q109-K113 PolarHBondContact O-N 2.83Å
110	V	95.6	Very high	96	Very high	10 Å²	10	60.9 Å²	60.9	6%	0.061	30%	0.295	C	S	.	.	H	α-helix	trans	-78.4	-44.3	-177.5	177.7	0	0	0	0	110.1	R106 Q107 D108 A112 K113 L114 Y301 I304 I309	R106-V110 WeakPolarHBondContact O-CG2 3.28Å; R106-V110 PolarHBondContact O-N 3.14Å; Q107-V110 WeakPolarHBondContact O-CB 3.35Å; Q107-V110 PolarHBondContact O-N 3.35Å; D108-V110 VanDerWaalsContact C-N 3.26Å; D108-V110 PolarHBondContact O-N 3.14Å; V110-A112 VanDerWaalsContact C-N 3.28Å; V110-A112 PolarHBondContact O-N 3.37Å; V110-K113 WeakPolarHBondContact O-CB 3.26Å; V110-K113 PolarHBondContact O-N 3.22Å; V110-L114 PolarHBondContact O-N 3.46Å; V110-Y301 HydrophobicContact CG1-CD1 4.21Å; V110-Y301 HydrophobicContact CG1-CE1 3.6Å; V110-I304 HydrophobicContact CB-CD1 3.61Å; V110-I304 HydrophobicContact CG1-CD1 3.69Å; V110-I304 HydrophobicContact CG2-CD1 3.65Å; V110-I309 HydrophobicContact CG1-CD1 4.36Å
111	V	96.3	Very high	96.1	Very high	0 Å²	0	58 Å²	58	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-65.7	-35.5	173.8	-179.3	0	0	0	0	110.7	Q107 K113 L114 F115 F140 Y237 V262 I309	Q107-V111 PolarHBondContact O-N 2.86Å; V111-K113 VanDerWaalsContact C-N 3.27Å; V111-K113 PolarHBondContact O-N 3.46Å; V111-L114 WeakPolarHBondContact O-CB 3.27Å; V111-L114 PolarHBondContact O-N 3.44Å; V111-L114 VanDerWaalsContact O-N 3.08Å; V111-F115 HydrophobicContact CG1-CD2 3.64Å; V111-F115 HydrophobicContact CG1-CE2 3.44Å; V111-F115 VanDerWaalsContact CG1-CE2 3.44Å; V111-F115 WeakPolarHBondContact O-CD2 3.34Å; V111-F115 PolarHBondContact O-N 3.37Å; V111-F115 VanDerWaalsContact O-N 3.1Å; V111-F140 HydrophobicContact CB-CZ 3.89Å; V111-F140 HydrophobicContact CG1-CE1 4.21Å; V111-F140 HydrophobicContact CG1-CE2 4.42Å; V111-F140 HydrophobicContact CG1-CZ 3.63Å; V111-Y237 HydrophobicContact CB-CE1 4.4Å; V111-Y237 HydrophobicContact CB-CE2 4.23Å; V111-Y237 HydrophobicContact CG1-CD1 4.07Å; V111-Y237 HydrophobicContact CG1-CD2 3.8Å; V111-Y237 HydrophobicContact CG1-CE1 3.97Å; V111-Y237 HydrophobicContact CG1-CE2 3.7Å; V111-Y237 HydrophobicContact CG1-CG 3.98Å; V111-Y237 HydrophobicContact CG2-CE2 3.79Å; V111-V262 HydrophobicContact CG1-CG1 4.19Å; V111-V262 HydrophobicContact CG2-CG1 4.42Å; V111-I309 HydrophobicContact CG2-CD1 3.85Å
112	A	96.8	Very high	96.2	Very high	9 Å²	9	55.9 Å²	55.9	7%	0.074	27%	0.268	C	S	.	.	H	α-helix	trans	-60.3	-37.1	175.2	0	0	0	0	0	112.6	F101 D108 V110 N116 Y139 F140	F101-A112 HydrophobicContact CE1-CB 3.94Å; F101-A112 HydrophobicContact CZ-CB 4.36Å; D108-A112 WeakPolarHBondContact O-CB 3.47Å; D108-A112 PolarHBondContact O-N 2.78Å; V110-A112 VanDerWaalsContact C-N 3.28Å; V110-A112 PolarHBondContact O-N 3.37Å; A112-N116 PolarHBondContact O-N 3.25Å; A112-Y139 HydrophobicContact CB-CD1 3.89Å; A112-Y139 HydrophobicContact CB-CE1 3.36Å; A112-F140 HydrophobicContact CB-CE1 4.39Å; A112-F140 HydrophobicContact CB-CZ 4.12Å
113	K	95.7	Very high	96.2	Very high	160 Å²	160	55.7 Å²	55.7	70%	0.696	27%	0.267	S	S	*	.	H	α-helix	trans	-67.4	-38.8	174.4	-72.5	173.7	-177.1	-174.4	0	112	Q109 V110 V111 F115 N116	Q109-K113 WeakPolarHBondContact O-CG 3.27Å; Q109-K113 PolarHBondContact O-N 2.83Å; V110-K113 WeakPolarHBondContact O-CB 3.26Å; V110-K113 PolarHBondContact O-N 3.22Å; V111-K113 VanDerWaalsContact C-N 3.27Å; V111-K113 PolarHBondContact O-N 3.46Å; K113-F115 VanDerWaalsContact C-N 3.33Å; K113-F115 PolarHBondContact O-N 2.94Å; K113-N116 PolarHBondContact O-N 3.45Å
114	L	95.5	Very high	96.4	Very high	30 Å²	30	55.4 Å²	55.4	16%	0.157	27%	0.265	C	S	.	.	H	α-helix	trans	-60.5	-42.7	176.8	-71.7	175.5	0	0	0	111.6	V110 V111 N116 V262 Y301 I309 V311 L316	V110-L114 PolarHBondContact O-N 3.46Å; V111-L114 WeakPolarHBondContact O-CB 3.27Å; V111-L114 PolarHBondContact O-N 3.44Å; V111-L114 VanDerWaalsContact O-N 3.08Å; L114-N116 VanDerWaalsContact C-N 3.28Å; L114-N116 PolarHBondContact O-N 3.33Å; L114-V262 HydrophobicContact CD1-CG1 4.47Å; L114-Y301 HydrophobicContact CD1-CD1 4.12Å; L114-Y301 HydrophobicContact CD1-CE1 4.4Å; L114-Y301 HydrophobicContact CD1-CG 4.36Å; L114-Y301 HydrophobicContact CD2-CD1 4.35Å; L114-Y301 HydrophobicContact CD2-CD2 3.94Å; L114-Y301 HydrophobicContact CD2-CE1 4.17Å; L114-Y301 HydrophobicContact CD2-CE2 3.73Å; L114-Y301 HydrophobicContact CD2-CG 4.25Å; L114-Y301 HydrophobicContact CG-CE1 4.42Å; L114-I309 HydrophobicContact CD1-CG2 4.1Å; L114-V311 HydrophobicContact CD1-CG2 3.8Å; L114-V311 HydrophobicContact CD2-CG2 4.39Å; L114-L316 HydrophobicContact CB-CD1 3.8Å; L114-L316 HydrophobicContact CD2-CD1 4.44Å
115	F	96.8	Very high	96.8	Very high	8 Å²	8	51 Å²	51	4%	0.035	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79	-6.6	179.6	-76.7	-66.9	0	0	0	115	V111 K113 G117 K118 F140 W146 D236 Y237 T261 V262 L316	V111-F115 HydrophobicContact CG1-CD2 3.64Å; V111-F115 HydrophobicContact CG1-CE2 3.44Å; V111-F115 VanDerWaalsContact CG1-CE2 3.44Å; V111-F115 WeakPolarHBondContact O-CD2 3.34Å; V111-F115 PolarHBondContact O-N 3.37Å; V111-F115 VanDerWaalsContact O-N 3.1Å; K113-F115 VanDerWaalsContact C-N 3.33Å; K113-F115 PolarHBondContact O-N 2.94Å; F115-G117 PolarHBondContact O-N 2.9Å; F115-K118 HydrophobicContact CB-CB 4.16Å; F115-K118 HydrophobicContact CD1-CB 4.42Å; F115-K118 HydrophobicContact CD1-CD 4.01Å; F115-K118 VanDerWaalsContact O-CB 3.23Å; F115-K118 WeakPolarHBondContact O-CB 3.49Å; F115-K118 PolarHBondContact O-N 3.31Å; F115-F140 AromaticContact CD2-CE1 3.73Å; F115-F140 HydrophobicContact CD2-CE1 3.73Å; F115-F140 HydrophobicContact CD2-CZ 4.42Å; F115-F140 HydrophobicContact CE2-CE1 4.46Å; F115-F140 HydrophobicContact CG-CE1 4.47Å; F115-W146 HydrophobicContact CB-CZ2 4.39Å; F115-W146 AromaticContact CD1-CH2 3.83Å; F115-W146 HydrophobicContact CD1-CH2 3.83Å; F115-W146 HydrophobicContact CD1-CZ2 4.01Å; F115-W146 AromaticContact CD2-CH2 3.78Å; F115-W146 HydrophobicContact CD2-CH2 3.78Å; F115-W146 HydrophobicContact CD2-CZ2 4.24Å; F115-W146 AromaticContact CE1-CH2 3.78Å; F115-W146 HydrophobicContact CE1-CH2 3.78Å; F115-W146 HydrophobicContact CE1-CZ2 4.39Å; F115-W146 AromaticContact CE2-CH2 3.72Å; F115-W146 HydrophobicContact CE2-CH2 3.72Å; F115-W146 HydrophobicContact CE2-CZ3 4.47Å; F115-W146 AromaticContact CG-CH2 3.84Å; F115-W146 HydrophobicContact CG-CH2 3.84Å; F115-W146 AromaticContact CG-CZ2 3.94Å; F115-W146 HydrophobicContact CG-CZ2 3.94Å; F115-W146 AromaticContact CZ-CH2 3.74Å; F115-W146 HydrophobicContact CZ-CH2 3.74Å; F115-D236 HydrophobicContact CE1-CB 3.99Å; F115-D236 HydrophobicContact CZ-CB 4.06Å; F115-D236 VanDerWaalsContact CZ-O 3.28Å; F115-D236 WeakPolarHBondContact CZ-O 3.19Å; F115-Y237 HydrophobicContact CE2-CG 4.39Å; F115-T261 HydrophobicContact CE1-CG2 3.86Å; F115-T261 HydrophobicContact CZ-CG2 4.25Å; F115-V262 HydrophobicContact CE1-CG2 4.26Å; F115-V262 HydrophobicContact CE2-CB 4.05Å; F115-V262 HydrophobicContact CE2-CG2 3.74Å; F115-V262 HydrophobicContact CZ-CB 3.88Å; F115-V262 HydrophobicContact CZ-CG2 3.45Å; F115-V262 VanDerWaalsContact CZ-CG2 3.45Å; F115-L316 HydrophobicContact CD1-CD2 3.81Å; F115-L316 HydrophobicContact CE1-CD2 3.88Å
116	N	95.8	Very high	96.9	Very high	138 Å²	138	45.6 Å²	45.6	74%	0.738	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	44.2	45.1	176.4	-165.3	28.5	0	0	0	114.4	A112 K113 L114 K118	A112-N116 PolarHBondContact O-N 3.25Å; K113-N116 PolarHBondContact O-N 3.45Å; L114-N116 VanDerWaalsContact C-N 3.28Å; L114-N116 PolarHBondContact O-N 3.33Å; N116-K118 VanDerWaalsContact C-N 3.33Å; N116-K118 PolarHBondContact O-N 2.73Å
117	G	96.2	Very high	97	Very high	35 Å²	35	38.9 Å²	38.9	36%	0.361	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.9	11.2	178.5	0	0	0	0	0	116	F115 K119	F115-G117 PolarHBondContact O-N 2.9Å; G117-K119 PolarHBondContact O-N 2.93Å
118	K	97.7	Very high	97	Very high	85 Å²	85	38.6 Å²	38.6	37%	0.37	20%	0.204	S	C	.	.			trans	-44.1	126.1	172.2	179.5	175.5	-175.3	170.4	0	110.8	F115 N116 L144 W146 D236	F115-K118 HydrophobicContact CB-CB 4.16Å; F115-K118 HydrophobicContact CD1-CB 4.42Å; F115-K118 HydrophobicContact CD1-CD 4.01Å; F115-K118 VanDerWaalsContact O-CB 3.23Å; F115-K118 WeakPolarHBondContact O-CB 3.49Å; F115-K118 PolarHBondContact O-N 3.31Å; N116-K118 VanDerWaalsContact C-N 3.33Å; N116-K118 PolarHBondContact O-N 2.73Å; K118-L144 WeakPolarHBondContact O-CD1 3.07Å; K118-W146 HydrophobicContact CB-CZ2 4.41Å; K118-W146 HydrophobicContact CD-CZ2 4.39Å; K118-W146 HydrophobicContact CG-CZ2 4.38Å; K118-W146 PolarHBondContact O-NE1 3.47Å; K118-D236 WeakPolarHBondContact CE-OD1 3.11Å; K118-D236 IonicContact NZ-OD1 2.72Å; K118-D236 PolarHBondContact NZ-OD1 2.71Å
119	K	98.1	Very high	97	Very high	113 Å²	113	40.6 Å²	40.6	49%	0.491	21%	0.211	S	C	.	.			trans	-97.3	160.5	177.3	-57.7	-61.9	-173.5	179.9	0	111	G117 G121 Q143 L144	G117-K119 PolarHBondContact O-N 2.93Å; K119-G121 VanDerWaalsContact C-N 3.29Å; K119-G121 PolarHBondContact O-N 3.27Å; K119-Q143 PolarHBondContact NZ-O 3.32Å; K119-L144 CarbonylContact C-O 3.58Å; K119-L144 VanDerWaalsContact CA-O 3.24Å; K119-L144 WeakPolarHBondContact CA-O 3.37Å; K119-L144 HydrophobicContact CD-CB 3.94Å; K119-L144 HydrophobicContact CD-CD2 3.94Å; K119-L144 WeakPolarHBondContact CD-O 2.96Å
120	N	98.1	Very high	96.9	Very high	112 Å²	112	38.2 Å²	38.2	60%	0.599	20%	0.201	S	C	*	.	S	Bend	trans	58.2	34.3	171.2	-49.5	-41.8	0	0	0	114.7	L144 N145	N120-L144 PolarHBondContact N-O 2.85Å; N120-N145 PolarHBondContact OD1-ND2 2.66Å
121	G	98.4	Very high	97	Very high	2 Å²	2	37.8 Å²	37.8	2%	0.021	20%	0.198	C	C	.	.			trans	-80.7	175.5	173.4	0	0	0	0	0	113.3	K119 W146 T147 D236	K119-G121 VanDerWaalsContact C-N 3.29Å; K119-G121 PolarHBondContact O-N 3.27Å; G121-W146 VanDerWaalsContact O-CA 3.24Å; G121-W146 WeakPolarHBondContact O-CA 3.48Å; G121-W146 VanDerWaalsContact O-CB 3.26Å; G121-W146 WeakPolarHBondContact O-CB 3.16Å; G121-T147 PolarHBondContact O-N 2.73Å; G121-D236 WeakPolarHBondContact CA-OD2 3.4Å
122	F	98.8	Very high	97	Very high	8 Å²	8	38.1 Å²	38.1	4%	0.035	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	129.1	175.8	-167.8	-91.4	0	0	0	111.3	V124 T147 G148 L149 L227 I230 Q232 V235 D236 Y237	F122-V124 HydrophobicContact CE1-CG2 3.97Å; F122-T147 VanDerWaalsContact CA-O 3.32Å; F122-T147 WeakPolarHBondContact CA-O 3.38Å; F122-T147 WeakPolarHBondContact CD2-OG1 3.48Å; F122-G148 VanDerWaalsContact CE2-CA 3.48Å; F122-L149 HydrophobicContact CZ-CB 4.37Å; F122-L227 HydrophobicContact CE1-CD2 3.99Å; F122-I230 HydrophobicContact CE2-CG2 4.27Å; F122-I230 HydrophobicContact CZ-CD1 4.46Å; F122-I230 HydrophobicContact CZ-CG2 4.2Å; F122-Q232 HydrophobicContact CB-CG 4.22Å; F122-Q232 HydrophobicContact CD1-CG 3.62Å; F122-Q232 HydrophobicContact CD2-CG 3.82Å; F122-Q232 HydrophobicContact CE1-CB 4.41Å; F122-Q232 HydrophobicContact CE1-CG 3.82Å; F122-Q232 HydrophobicContact CE2-CB 4.27Å; F122-Q232 HydrophobicContact CE2-CG 4.01Å; F122-Q232 HydrophobicContact CG-CG 3.62Å; F122-Q232 HydrophobicContact CZ-CB 4.22Å; F122-Q232 HydrophobicContact CZ-CG 4.01Å; F122-V235 HydrophobicContact CD1-CG2 4.23Å; F122-D236 PolarHBondContact N-OD2 3.15Å; F122-D236 WeakPolarHBondContact O-CA 3.31Å; F122-D236 WeakPolarHBondContact O-CB 3.42Å; F122-D236 PolarHBondContact O-N 2.53Å; F122-Y237 PolarHBondContact O-N 3.49Å
123	F	98.9	Very high	97	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	158	175	63.7	-103	0	0	0	112.4	T137 E141 W146 T147 G148 L149 L150 A168 Y237	F123-T137 HydrophobicContact CB-CG2 3.83Å; F123-T137 HydrophobicContact CD1-CG2 4.24Å; F123-T137 HydrophobicContact CD2-CG2 3.46Å; F123-T137 VanDerWaalsContact CD2-CG2 3.46Å; F123-T137 HydrophobicContact CE2-CG2 4.05Å; F123-T137 WeakPolarHBondContact CE2-OG1 3.44Å; F123-T137 HydrophobicContact CG-CG2 3.57Å; F123-E141 HydrophobicContact CE1-CB 3.93Å; F123-E141 HydrophobicContact CE1-CG 4.15Å; F123-E141 HydrophobicContact CZ-CB 4.42Å; F123-E141 HydrophobicContact CZ-CG 4.43Å; F123-E141 WeakPolarHBondContact CZ-OE2 3.32Å; F123-W146 HydrophobicContact CB-CE3 4.3Å; F123-W146 HydrophobicContact CD1-CB 4.17Å; F123-W146 HydrophobicContact CD1-CE3 4.31Å; F123-W146 HydrophobicContact CE1-CB 4.4Å; F123-T147 WeakPolarHBondContact CD1-O 3.37Å; F123-T147 VanDerWaalsContact CE1-O 3.32Å; F123-T147 WeakPolarHBondContact CE1-O 3.29Å; F123-T147 PolarHBondContact N-O 3.42Å; F123-G148 CarbonylContact O-C 3.08Å; F123-G148 WeakPolarHBondContact O-CA 3.36Å; F123-L149 PolarHBondContact O-N 3.03Å; F123-L150 HydrophobicContact CE2-CD2 3.68Å; F123-L150 HydrophobicContact CE2-CG 4.14Å; F123-L150 HydrophobicContact CZ-CD2 4.41Å; F123-A168 HydrophobicContact CE2-CB 3.98Å; F123-A168 HydrophobicContact CZ-CB 3.62Å; F123-Y237 CarbonylContact C-O 3.54Å; F123-Y237 WeakPolarHBondContact CA-O 3.22Å; F123-Y237 WeakPolarHBondContact CB-O 3.41Å
124	V	98.8	Very high	96.9	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	125.6	161.4	175.6	0	0	0	0	106.6	F122 L149 L223 L227 V235 Y237 F238 V239	F122-V124 HydrophobicContact CE1-CG2 3.97Å; V124-L149 CarbonylContact C-O 3.57Å; V124-L149 WeakPolarHBondContact CA-O 3.38Å; V124-L149 HydrophobicContact CG1-CD2 4.48Å; V124-L149 HydrophobicContact CG2-CB 4.31Å; V124-L223 HydrophobicContact CG1-CD1 3.97Å; V124-L223 HydrophobicContact CG2-CD1 4.37Å; V124-L227 HydrophobicContact CG2-CD2 3.95Å; V124-V235 HydrophobicContact CB-CG1 4.24Å; V124-V235 HydrophobicContact CG2-CG1 3.89Å; V124-V235 HydrophobicContact CG2-CG2 3.81Å; V124-Y237 PolarHBondContact N-O 3.34Å; V124-F238 HydrophobicContact CB-CD2 3.75Å; V124-F238 HydrophobicContact CB-CE2 4.3Å; V124-F238 HydrophobicContact CG1-CD2 3.77Å; V124-F238 HydrophobicContact CG1-CE2 3.8Å; V124-F238 CarbonylContact O-C 3.54Å; V124-F238 WeakPolarHBondContact O-CA 3.32Å; V124-V239 PolarHBondContact O-N 2.98Å
125	E	98.7	Very high	97	Very high	4 Å²	4	37.2 Å²	37.2	2%	0.019	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	103.8	172.8	170.8	169.6	-140.2	0	0	109.3	S135 N136 T137 L149 L150 V151 V239	E125-S135 WeakPolarHBondContact OE1-CA 3.2Å; E125-S135 PolarHBondContact OE2-OG 2.94Å; E125-N136 PolarHBondContact OE1-N 2.79Å; E125-T137 HydrophobicContact CB-CG2 3.61Å; E125-T137 HydrophobicContact CG-CG2 4.3Å; E125-T137 WeakPolarHBondContact OE2-CB 3.42Å; E125-T137 WeakPolarHBondContact OE2-CG2 3.22Å; E125-T137 PolarHBondContact OE2-N 2.98Å; E125-T137 PolarHBondContact OE2-OG1 3.07Å; E125-L149 PolarHBondContact N-O 3.46Å; E125-L150 HydrophobicContact CB-CD2 4.01Å; E125-L150 HydrophobicContact CG-CD2 4.39Å; E125-V151 PolarHBondContact O-N 3.21Å; E125-V239 HydrophobicContact CB-CB 4.18Å; E125-V239 HydrophobicContact CG-CB 4.31Å; E125-V239 HydrophobicContact CG-CG1 4.36Å
126	A	97.4	Very high	97.1	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	119	173.6	0	0	0	0	0	109.7	V151 L175 V239 L240 D241 V242	A126-V151 HydrophobicContact CB-CB 4.16Å; A126-V151 HydrophobicContact CB-CG2 4.36Å; A126-L175 HydrophobicContact CB-CD1 3.75Å; A126-L175 HydrophobicContact CB-CG 4.32Å; A126-V239 PolarHBondContact N-O 2.79Å; A126-L240 HydrophobicContact CB-CD1 4.37Å; A126-D241 CarbonylContact O-C 3.54Å; A126-D241 WeakPolarHBondContact O-CA 3.48Å; A126-D241 PolarHBondContact O-N 2.97Å; A126-D241 VanDerWaalsContact O-O 3.04Å; A126-V242 HydrophobicContact CB-CG1 3.58Å
127	G	94.6	Very high	97.2	Very high	28 Å²	28	30.5 Å²	30.5	29%	0.289	16%	0.16	S	C	.	.			trans	101.4	41.1	-160.8	0	0	0	0	0	112.4	Y129 V151 D241	G127-Y129 PolarHBondContact O-N 2.98Å; G127-V151 PolarHBondContact N-O 3.27Å; G127-V151 VanDerWaalsContact N-O 3.13Å; G127-D241 VanDerWaalsContact CA-O 3.22Å; G127-D241 WeakPolarHBondContact CA-O 3.39Å
128	A	96.9	Very high	97.3	Very high	2 Å²	2	28.9 Å²	28.9	2%	0.017	14%	0.142	C	C	.	.			trans	-71.8	-16.3	-173.6	0	0	0	0	0	114.4	D130 G131 L150 V151 E152 L161	A128-D130 PolarHBondContact O-N 3.41Å; A128-G131 PolarHBondContact O-N 3.1Å; A128-L150 HydrophobicContact CB-CB 3.7Å; A128-L150 HydrophobicContact CB-CD2 4Å; A128-L150 HydrophobicContact CB-CG 4.38Å; A128-V151 PolarHBondContact N-O 3.36Å; A128-E152 HydrophobicContact CB-CB 4.38Å; A128-L161 HydrophobicContact CB-CD1 4.47Å; A128-L161 HydrophobicContact CB-CD2 4.21Å
129	Y	94.7	Very high	97.3	Very high	43 Å²	43	26.6 Å²	26.6	17%	0.169	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.3	-128.5	175.2	-172.7	-126	0	0	0	112.2	G127 G131 T133 E152 N157 D191	G127-Y129 PolarHBondContact O-N 2.98Å; Y129-G131 PolarHBondContact O-N 3.18Å; Y129-T133 HydrophobicContact CE1-CG2 4.3Å; Y129-E152 WeakPolarHBondContact CA-OE2 3.37Å; Y129-E152 PolarHBondContact N-OE2 3.23Å; Y129-N157 HydrophobicContact CD2-CB 4.39Å; Y129-N157 WeakPolarHBondContact CD2-ND2 3.38Å; Y129-N157 VanDerWaalsContact CE2-OD1 3.22Å; Y129-N157 WeakPolarHBondContact CE2-OD1 3.45Å; Y129-D191 HydrophobicContact CE2-CB 3.95Å; Y129-D191 WeakPolarHBondContact OH-CB 3.41Å; Y129-D191 PolarHBondContact OH-OD1 3.33Å
130	D	94.7	Very high	97.4	Very high	16 Å²	16	21.2 Å²	21.2	9%	0.086	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	3.8	-179.9	75.3	-6.2	0	0	0	114	A128 E132 T133 K160 L161 K164	A128-D130 PolarHBondContact O-N 3.41Å; D130-E132 VanDerWaalsContact C-N 3.32Å; D130-E132 PolarHBondContact O-N 2.83Å; D130-E132 PolarHBondContact OD1-N 2.88Å; D130-T133 WeakPolarHBondContact OD1-CA 3.32Å; D130-T133 VanDerWaalsContact OD1-CB 3.31Å; D130-T133 WeakPolarHBondContact OD1-CB 3.46Å; D130-T133 PolarHBondContact OD1-N 2.77Å; D130-T133 PolarHBondContact OD1-OG1 2.75Å; D130-T133 VanDerWaalsContact OD2-CB 3.3Å; D130-T133 WeakPolarHBondContact OD2-CB 3.23Å; D130-T133 PolarHBondContact OD2-OG1 2.55Å; D130-K160 HydrophobicContact CB-CB 3.81Å; D130-K160 HydrophobicContact CB-CD 3.89Å; D130-K160 CarbonylContact O-C 3.59Å; D130-L161 WeakPolarHBondContact O-CA 3.5Å; D130-L161 PolarHBondContact O-N 3.42Å; D130-K164 WeakPolarHBondContact O-CE 3.48Å; D130-K164 WeakPolarHBondContact O-CG 3.29Å
131	G	97.3	Very high	97.4	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.08	C	C	.	.	S	Bend	trans	80.3	1	179.6	0	0	0	0	0	116.4	A128 Y129 R166	A128-G131 PolarHBondContact O-N 3.1Å; Y129-G131 PolarHBondContact O-N 3.18Å; G131-R166 PolarHBondContact O-NH1 3.35Å
132	E	97.6	Very high	97.3	Very high	8 Å²	8	18.9 Å²	18.9	4%	0.037	9%	0.09	C	C	.	.	S	Bend	trans	-140.1	-55.3	-176.4	-179.1	-179.7	169.8	0	0	112.2	L94 V95 D96 F102 D130 Y134 S135 L138 K164	L94-E132 VanDerWaalsContact CA-OE2 3.31Å; L94-E132 WeakPolarHBondContact CA-OE2 3.43Å; L94-E132 HydrophobicContact CD2-CB 4.3Å; L94-E132 HydrophobicContact CD2-CG 4.1Å; V95-E132 VanDerWaalsContact N-CD 3.31Å; V95-E132 PolarHBondContact N-OE1 3.1Å; V95-E132 PolarHBondContact N-OE2 2.54Å; D96-E132 PolarHBondContact N-OE1 2.79Å; F102-E132 WeakPolarHBondContact CB-O 3.39Å; F102-E132 HydrophobicContact CD1-CG 3.85Å; F102-E132 WeakPolarHBondContact CD1-O 3.44Å; F102-E132 HydrophobicContact CE1-CG 3.72Å; D130-E132 VanDerWaalsContact C-N 3.32Å; D130-E132 PolarHBondContact O-N 2.83Å; D130-E132 PolarHBondContact OD1-N 2.88Å; E132-Y134 PolarHBondContact O-N 3.09Å; E132-S135 PolarHBondContact O-N 2.87Å; E132-L138 HydrophobicContact CB-CD2 4.47Å; E132-L138 HydrophobicContact CG-CD2 4.19Å; E132-K164 HydrophobicContact CB-CD 4.36Å; E132-K164 WeakPolarHBondContact OE2-CE 3.19Å; E132-K164 IonicContact OE2-NZ 3.76Å; E132-K164 PolarHBondContact OE2-NZ 2.92Å
133	T	95.4	Very high	97.3	Very high	55 Å²	55	22.4 Å²	22.4	34%	0.337	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	123.1	-179.6	-57.7	0	0	0	0	109.3	Y129 D130 S135	Y129-T133 HydrophobicContact CE1-CG2 4.3Å; D130-T133 WeakPolarHBondContact OD1-CA 3.32Å; D130-T133 VanDerWaalsContact OD1-CB 3.31Å; D130-T133 WeakPolarHBondContact OD1-CB 3.46Å; D130-T133 PolarHBondContact OD1-N 2.77Å; D130-T133 PolarHBondContact OD1-OG1 2.75Å; D130-T133 VanDerWaalsContact OD2-CB 3.3Å; D130-T133 WeakPolarHBondContact OD2-CB 3.23Å; D130-T133 PolarHBondContact OD2-OG1 2.55Å; T133-S135 PolarHBondContact O-N 2.67Å; T133-S135 VanDerWaalsContact O-N 3.1Å
134	Y	95	Very high	97.2	Very high	123 Å²	123	22.6 Å²	22.6	48%	0.482	11%	0.108	S	C	.	.	B	Isolated β-bridge	trans	63.1	8.3	-179.9	-49.5	-37.8	0	0	0	115.9	F102 Q104 E132 N136	F102-Y134 WeakPolarHBondContact O-CA 3.32Å; F102-Y134 PolarHBondContact O-N 3.32Å; Q104-Y134 HydrophobicContact CB-CD1 3.57Å; Q104-Y134 HydrophobicContact CB-CE1 4.07Å; Q104-Y134 HydrophobicContact CB-CG 3.9Å; Q104-Y134 HydrophobicContact CG-CD1 3.73Å; Q104-Y134 HydrophobicContact CG-CE1 3.69Å; Q104-Y134 HydrophobicContact CG-CG 4.22Å; E132-Y134 PolarHBondContact O-N 3.09Å; Y134-N136 PolarHBondContact O-N 2.78Å
135	S	97.7	Very high	97.2	Very high	1 Å²	1	26 Å²	26	1%	0.007	13%	0.127	C	C	.	.			trans	-60.1	128	-179.9	-179.8	0	0	0	0	111.4	F102 S103 E125 E132 T133 T137 L138 R166	F102-S135 WeakPolarHBondContact CB-O 3.08Å; S103-S135 PolarHBondContact N-O 2.85Å; E125-S135 WeakPolarHBondContact OE1-CA 3.2Å; E125-S135 PolarHBondContact OE2-OG 2.94Å; E132-S135 PolarHBondContact O-N 2.87Å; T133-S135 PolarHBondContact O-N 2.67Å; T133-S135 VanDerWaalsContact O-N 3.1Å; S135-T137 PolarHBondContact OG-N 2.81Å; S135-T137 PolarHBondContact OG-OG1 3.2Å; S135-L138 PolarHBondContact OG-N 3.46Å; S135-R166 PolarHBondContact OG-NH1 3.02Å
136	N	97.7	Very high	97.2	Very high	6 Å²	6	25.9 Å²	25.9	3%	0.032	13%	0.126	C	C	.	.	S	Bend	trans	-82.2	-19.4	176.3	-70.9	-75.1	0	0	0	111.8	S103 E125 Y134 F140 Y237 V239 Q264	S103-N136 VanDerWaalsContact CB-OD1 3.29Å; S103-N136 WeakPolarHBondContact CB-OD1 3.46Å; E125-N136 PolarHBondContact OE1-N 2.79Å; Y134-N136 PolarHBondContact O-N 2.78Å; N136-F140 WeakPolarHBondContact O-CE2 3.21Å; N136-Y237 HydrophobicContact CB-CE1 4.27Å; N136-V239 HydrophobicContact CB-CG1 4.21Å; N136-V239 HydrophobicContact CB-CG2 3.82Å; N136-Q264 PolarHBondContact OD1-NE2 3.02Å
137	T	98.7	Very high	97.2	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.142	C	C	.	.	S	Bend	trans	-107	-18	-170.4	66.6	0	0	0	0	114.6	F123 E125 S135 Y139 F140 E141 R166 Y237 V239	F123-T137 HydrophobicContact CB-CG2 3.83Å; F123-T137 HydrophobicContact CD1-CG2 4.24Å; F123-T137 HydrophobicContact CD2-CG2 3.46Å; F123-T137 VanDerWaalsContact CD2-CG2 3.46Å; F123-T137 HydrophobicContact CE2-CG2 4.05Å; F123-T137 WeakPolarHBondContact CE2-OG1 3.44Å; F123-T137 HydrophobicContact CG-CG2 3.57Å; E125-T137 HydrophobicContact CB-CG2 3.61Å; E125-T137 HydrophobicContact CG-CG2 4.3Å; E125-T137 WeakPolarHBondContact OE2-CB 3.42Å; E125-T137 WeakPolarHBondContact OE2-CG2 3.22Å; E125-T137 PolarHBondContact OE2-N 2.98Å; E125-T137 PolarHBondContact OE2-OG1 3.07Å; S135-T137 PolarHBondContact OG-N 2.81Å; S135-T137 PolarHBondContact OG-OG1 3.2Å; T137-Y139 PolarHBondContact O-N 2.86Å; T137-F140 WeakPolarHBondContact O-CB 3.26Å; T137-F140 PolarHBondContact O-N 2.92Å; T137-E141 PolarHBondContact O-N 3.5Å; T137-E141 VanDerWaalsContact O-N 3.08Å; T137-R166 PolarHBondContact OG1-NH2 2.86Å; T137-Y237 HydrophobicContact CG2-CD1 4.21Å; T137-Y237 HydrophobicContact CG2-CE1 4.25Å; T137-V239 HydrophobicContact CG2-CG2 4.27Å
138	L	98.4	Very high	97.4	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-59.5	-33.3	-173.7	-173.9	58.8	0	0	0	113.3	Y92 L94 F102 E132 S135 R142	Y92-L138 HydrophobicContact CE1-CD1 4.4Å; L94-L138 HydrophobicContact CD1-CD2 3.98Å; L94-L138 HydrophobicContact CD2-CD1 4.48Å; L94-L138 HydrophobicContact CD2-CD2 4.01Å; F102-L138 HydrophobicContact CD1-CD2 4.02Å; F102-L138 HydrophobicContact CD2-CB 4.21Å; F102-L138 HydrophobicContact CD2-CD2 3.72Å; F102-L138 HydrophobicContact CD2-CG 4.11Å; F102-L138 HydrophobicContact CE1-CD2 4.02Å; F102-L138 HydrophobicContact CE2-CD2 3.73Å; F102-L138 HydrophobicContact CE2-CG 4.17Å; F102-L138 HydrophobicContact CG-CD2 3.88Å; F102-L138 HydrophobicContact CZ-CD2 3.88Å; E132-L138 HydrophobicContact CB-CD2 4.47Å; E132-L138 HydrophobicContact CG-CD2 4.19Å; S135-L138 PolarHBondContact OG-N 3.46Å; L138-R142 HydrophobicContact CD1-CG 3.92Å; L138-R142 HydrophobicContact CG-CG 4.35Å; L138-R142 WeakPolarHBondContact O-CB 3.32Å; L138-R142 WeakPolarHBondContact O-CG 3.5Å; L138-R142 PolarHBondContact O-N 3.15Å
139	Y	98.3	Very high	97.5	Very high	38 Å²	38	27 Å²	27	15%	0.149	13%	0.127	C	C	.	.	H	α-helix	trans	-58.8	-50.5	172.2	166.7	-100.6	0	0	0	111.9	T100 F101 A112 T137 E141 R142 Q143 L144	T100-Y139 HydrophobicContact CG2-CD2 3.73Å; T100-Y139 HydrophobicContact CG2-CE2 3.92Å; F101-Y139 HydrophobicContact CD1-CD1 4.36Å; F101-Y139 AromaticContact CD1-CD2 3.81Å; F101-Y139 HydrophobicContact CD1-CD2 3.81Å; F101-Y139 HydrophobicContact CD1-CE2 4.45Å; F101-Y139 AromaticContact CD1-CG 3.76Å; F101-Y139 HydrophobicContact CD1-CG 3.76Å; F101-Y139 AromaticContact CE1-CD1 3.68Å; F101-Y139 HydrophobicContact CE1-CD1 3.68Å; F101-Y139 AromaticContact CE1-CD2 3.36Å; F101-Y139 HydrophobicContact CE1-CD2 3.36Å; F101-Y139 AromaticContact CE1-CE1 3.91Å; F101-Y139 HydrophobicContact CE1-CE1 3.91Å; F101-Y139 AromaticContact CE1-CE2 3.59Å; F101-Y139 HydrophobicContact CE1-CE2 3.59Å; F101-Y139 AromaticContact CE1-CG 3.4Å; F101-Y139 HydrophobicContact CE1-CG 3.4Å; F101-Y139 VanDerWaalsContact CE1-CG 3.4Å; F101-Y139 AromaticContact CE1-CZ 3.86Å; F101-Y139 HydrophobicContact CE2-CD2 4.32Å; F101-Y139 HydrophobicContact CE2-CE2 4.2Å; F101-Y139 HydrophobicContact CG-CD2 4.48Å; F101-Y139 HydrophobicContact CZ-CD1 4.44Å; F101-Y139 AromaticContact CZ-CD2 3.65Å; F101-Y139 HydrophobicContact CZ-CD2 3.65Å; F101-Y139 HydrophobicContact CZ-CE1 4.28Å; F101-Y139 AromaticContact CZ-CE2 3.43Å; F101-Y139 HydrophobicContact CZ-CE2 3.43Å; F101-Y139 VanDerWaalsContact CZ-CE2 3.43Å; F101-Y139 HydrophobicContact CZ-CG 4.15Å; F101-Y139 AromaticContact CZ-CZ 3.78Å; A112-Y139 HydrophobicContact CB-CD1 3.89Å; A112-Y139 HydrophobicContact CB-CE1 3.36Å; T137-Y139 PolarHBondContact O-N 2.86Å; Y139-E141 VanDerWaalsContact C-N 3.33Å; Y139-E141 PolarHBondContact O-N 3.37Å; Y139-R142 PolarHBondContact O-N 3.19Å; Y139-Q143 HydrophobicContact CD2-CB 4.02Å; Y139-Q143 HydrophobicContact CD2-CG 3.57Å; Y139-Q143 HydrophobicContact CE2-CB 3.78Å; Y139-Q143 HydrophobicContact CE2-CG 3.65Å; Y139-Q143 HydrophobicContact CG-CG 4.46Å; Y139-Q143 VanDerWaalsContact O-CB 3.23Å; Y139-Q143 WeakPolarHBondContact O-CB 3.42Å; Y139-Q143 WeakPolarHBondContact O-CG 3.36Å; Y139-Q143 PolarHBondContact O-N 3.01Å; Y139-L144 HydrophobicContact CE1-CD1 3.79Å; Y139-L144 HydrophobicContact CE1-CG 4.13Å
140	F	98.7	Very high	97.7	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-63.9	-41.9	-177.1	-61.1	-93.4	0	0	0	110.9	V111 A112 F115 N136 T137 L144 N145 W146 Y237	V111-F140 HydrophobicContact CB-CZ 3.89Å; V111-F140 HydrophobicContact CG1-CE1 4.21Å; V111-F140 HydrophobicContact CG1-CE2 4.42Å; V111-F140 HydrophobicContact CG1-CZ 3.63Å; A112-F140 HydrophobicContact CB-CE1 4.39Å; A112-F140 HydrophobicContact CB-CZ 4.12Å; F115-F140 AromaticContact CD2-CE1 3.73Å; F115-F140 HydrophobicContact CD2-CE1 3.73Å; F115-F140 HydrophobicContact CD2-CZ 4.42Å; F115-F140 HydrophobicContact CE2-CE1 4.46Å; F115-F140 HydrophobicContact CG-CE1 4.47Å; N136-F140 WeakPolarHBondContact O-CE2 3.21Å; T137-F140 WeakPolarHBondContact O-CB 3.26Å; T137-F140 PolarHBondContact O-N 2.92Å; F140-L144 HydrophobicContact CD1-CD1 3.81Å; F140-L144 HydrophobicContact CE1-CD1 4.37Å; F140-L144 CarbonylContact O-C 3.53Å; F140-L144 VanDerWaalsContact O-CA 3.29Å; F140-L144 WeakPolarHBondContact O-CA 3.37Å; F140-L144 VanDerWaalsContact O-CB 3.26Å; F140-L144 WeakPolarHBondContact O-CB 3.47Å; F140-L144 PolarHBondContact O-N 3.04Å; F140-N145 PolarHBondContact O-N 2.99Å; F140-W146 HydrophobicContact CB-CB 4.06Å; F140-W146 HydrophobicContact CB-CD2 3.74Å; F140-W146 HydrophobicContact CB-CE3 3.97Å; F140-W146 HydrophobicContact CB-CG 3.79Å; F140-W146 HydrophobicContact CD1-CD2 4.14Å; F140-W146 AromaticContact CD1-CE2 3.95Å; F140-W146 HydrophobicContact CD1-CE3 4.26Å; F140-W146 AromaticContact CD1-CH2 4Å; F140-W146 HydrophobicContact CD1-CH2 4Å; F140-W146 AromaticContact CD1-CZ2 3.89Å; F140-W146 HydrophobicContact CD1-CZ2 3.89Å; F140-W146 HydrophobicContact CD1-CZ3 4.18Å; F140-W146 HydrophobicContact CE1-CH2 4.46Å; F140-W146 HydrophobicContact CG-CD2 4.35Å; F140-W146 HydrophobicContact CG-CE3 4.36Å; F140-W146 WeakPolarHBondContact O-CB 3.24Å; F140-W146 PolarHBondContact O-N 3.14Å; F140-W146 VanDerWaalsContact O-N 3.13Å; F140-Y237 HydrophobicContact CD2-CD1 4.2Å; F140-Y237 HydrophobicContact CD2-CE1 4.28Å; F140-Y237 AromaticContact CE2-CD1 3.97Å; F140-Y237 HydrophobicContact CE2-CD1 3.97Å; F140-Y237 AromaticContact CE2-CE1 3.77Å; F140-Y237 HydrophobicContact CE2-CE1 3.77Å; F140-Y237 HydrophobicContact CZ-CD1 4.32Å; F140-Y237 HydrophobicContact CZ-CE1 4.3Å
141	E	98.5	Very high	97.9	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-62.3	-51.4	178.1	-159.3	-169.6	104.1	0	0	111.8	Y92 F123 T137 Y139 N145 W146 R166 K167	Y92-E141 WeakPolarHBondContact CE1-OE1 3.14Å; Y92-E141 PolarHBondContact OH-OE1 3.43Å; F123-E141 HydrophobicContact CE1-CB 3.93Å; F123-E141 HydrophobicContact CE1-CG 4.15Å; F123-E141 HydrophobicContact CZ-CB 4.42Å; F123-E141 HydrophobicContact CZ-CG 4.43Å; F123-E141 WeakPolarHBondContact CZ-OE2 3.32Å; T137-E141 PolarHBondContact O-N 3.5Å; T137-E141 VanDerWaalsContact O-N 3.08Å; Y139-E141 VanDerWaalsContact C-N 3.33Å; Y139-E141 PolarHBondContact O-N 3.37Å; E141-N145 WeakPolarHBondContact O-CA 3.4Å; E141-N145 PolarHBondContact O-N 3.19Å; E141-W146 WeakPolarHBondContact CG-O 3.36Å; E141-R166 IonicContact OE1-NE 3.35Å; E141-R166 PolarHBondContact OE1-NE 2.02Å; E141-R166 IonicContact OE2-CZ 3.23Å; E141-R166 VanDerWaalsContact OE2-CZ 3.29Å; E141-R166 IonicContact OE2-NE 3.03Å; E141-R166 PolarHBondContact OE2-NE 3.49Å; E141-R166 IonicContact OE2-NH2 2.59Å; E141-R166 PolarHBondContact OE2-NH2 2.86Å; E141-K167 VanDerWaalsContact CD-N 3.35Å; E141-K167 HydrophobicContact CG-CB 4.11Å; E141-K167 PolarHBondContact OE1-N 3Å
142	R	97.2	Very high	97.8	Very high	64 Å²	64	24.8 Å²	24.8	24%	0.242	12%	0.118	C	C	.	.	H	α-helix	trans	-75.1	-45.6	-174.4	-70.1	175.4	67.5	-156.8	-3.8	113.2	Y92 S97 R99 L138 Y139	Y92-R142 HydrophobicContact CD2-CG 4.35Å; Y92-R142 HydrophobicContact CE1-CG 4.04Å; Y92-R142 HydrophobicContact CE2-CG 3.8Å; S97-R142 PolarHBondContact O-NH2 3.32Å; R99-R142 PolarHBondContact O-NH1 2.96Å; L138-R142 HydrophobicContact CD1-CG 3.92Å; L138-R142 HydrophobicContact CG-CG 4.35Å; L138-R142 WeakPolarHBondContact O-CB 3.32Å; L138-R142 WeakPolarHBondContact O-CG 3.5Å; L138-R142 PolarHBondContact O-N 3.15Å; Y139-R142 PolarHBondContact O-N 3.19Å
143	Q	97.2	Very high	97.6	Very high	82 Å²	82	25.4 Å²	25.4	38%	0.383	12%	0.122	S	C	.	.	H	α-helix	trans	-93.4	-28.4	-169.5	-54.7	-57.4	-35.1	0	0	112.1	T100 K119 Y139	T100-Q143 HydrophobicContact CG2-CG 4.32Å; K119-Q143 PolarHBondContact NZ-O 3.32Å; Y139-Q143 HydrophobicContact CD2-CB 4.02Å; Y139-Q143 HydrophobicContact CD2-CG 3.57Å; Y139-Q143 HydrophobicContact CE2-CB 3.78Å; Y139-Q143 HydrophobicContact CE2-CG 3.65Å; Y139-Q143 HydrophobicContact CG-CG 4.46Å; Y139-Q143 VanDerWaalsContact O-CB 3.23Å; Y139-Q143 WeakPolarHBondContact O-CB 3.42Å; Y139-Q143 WeakPolarHBondContact O-CG 3.36Å; Y139-Q143 PolarHBondContact O-N 3.01Å
144	L	98	Very high	97.3	Very high	5 Å²	5	23.4 Å²	23.4	3%	0.026	11%	0.11	C	C	.	.	H	α-helix	trans	-113.7	4.1	-173.3	-50.2	-176.6	0	0	0	113.1	K118 K119 N120 Y139 F140 W146	K118-L144 WeakPolarHBondContact O-CD1 3.07Å; K119-L144 CarbonylContact C-O 3.58Å; K119-L144 VanDerWaalsContact CA-O 3.24Å; K119-L144 WeakPolarHBondContact CA-O 3.37Å; K119-L144 HydrophobicContact CD-CB 3.94Å; K119-L144 HydrophobicContact CD-CD2 3.94Å; K119-L144 WeakPolarHBondContact CD-O 2.96Å; N120-L144 PolarHBondContact N-O 2.85Å; Y139-L144 HydrophobicContact CE1-CD1 3.79Å; Y139-L144 HydrophobicContact CE1-CG 4.13Å; F140-L144 HydrophobicContact CD1-CD1 3.81Å; F140-L144 HydrophobicContact CE1-CD1 4.37Å; F140-L144 CarbonylContact O-C 3.53Å; F140-L144 VanDerWaalsContact O-CA 3.29Å; F140-L144 WeakPolarHBondContact O-CA 3.37Å; F140-L144 VanDerWaalsContact O-CB 3.26Å; F140-L144 WeakPolarHBondContact O-CB 3.47Å; F140-L144 PolarHBondContact O-N 3.04Å; L144-W146 HydrophobicContact CB-CG 4.42Å; L144-W146 PolarHBondContact O-N 2.6Å
145	N	98	Very high	96.9	Very high	72 Å²	72	21 Å²	21	39%	0.385	10%	0.102	S	C	.	.			trans	60.1	29	-179	-163.8	54.7	0	0	0	113	R88 N120 F140 E141	R88-N145 PolarHBondContact NE-OD1 2.89Å; R88-N145 PolarHBondContact NH1-OD1 3.28Å; R88-N145 PolarHBondContact NH2-O 3.13Å; R88-N145 PolarHBondContact NH2-OD1 2.77Å; N120-N145 PolarHBondContact OD1-ND2 2.66Å; F140-N145 PolarHBondContact O-N 2.99Å; E141-N145 WeakPolarHBondContact O-CA 3.4Å; E141-N145 PolarHBondContact O-N 3.19Å
146	W	98.7	Very high	96.2	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.119	C	C	.	.			trans	-69	161.3	175	-71.2	35	0	0	0	110.4	R88 F115 K118 G121 F123 F140 E141 L144 D236	R88-W146 PolarHBondContact NH2-O 3.03Å; R88-W146 VanDerWaalsContact NH2-O 3.12Å; F115-W146 HydrophobicContact CB-CZ2 4.39Å; F115-W146 AromaticContact CD1-CH2 3.83Å; F115-W146 HydrophobicContact CD1-CH2 3.83Å; F115-W146 HydrophobicContact CD1-CZ2 4.01Å; F115-W146 AromaticContact CD2-CH2 3.78Å; F115-W146 HydrophobicContact CD2-CH2 3.78Å; F115-W146 HydrophobicContact CD2-CZ2 4.24Å; F115-W146 AromaticContact CE1-CH2 3.78Å; F115-W146 HydrophobicContact CE1-CH2 3.78Å; F115-W146 HydrophobicContact CE1-CZ2 4.39Å; F115-W146 AromaticContact CE2-CH2 3.72Å; F115-W146 HydrophobicContact CE2-CH2 3.72Å; F115-W146 HydrophobicContact CE2-CZ3 4.47Å; F115-W146 AromaticContact CG-CH2 3.84Å; F115-W146 HydrophobicContact CG-CH2 3.84Å; F115-W146 AromaticContact CG-CZ2 3.94Å; F115-W146 HydrophobicContact CG-CZ2 3.94Å; F115-W146 AromaticContact CZ-CH2 3.74Å; F115-W146 HydrophobicContact CZ-CH2 3.74Å; K118-W146 HydrophobicContact CB-CZ2 4.41Å; K118-W146 HydrophobicContact CD-CZ2 4.39Å; K118-W146 HydrophobicContact CG-CZ2 4.38Å; K118-W146 PolarHBondContact O-NE1 3.47Å; G121-W146 VanDerWaalsContact O-CA 3.24Å; G121-W146 WeakPolarHBondContact O-CA 3.48Å; G121-W146 VanDerWaalsContact O-CB 3.26Å; G121-W146 WeakPolarHBondContact O-CB 3.16Å; F123-W146 HydrophobicContact CB-CE3 4.3Å; F123-W146 HydrophobicContact CD1-CB 4.17Å; F123-W146 HydrophobicContact CD1-CE3 4.31Å; F123-W146 HydrophobicContact CE1-CB 4.4Å; F140-W146 HydrophobicContact CB-CB 4.06Å; F140-W146 HydrophobicContact CB-CD2 3.74Å; F140-W146 HydrophobicContact CB-CE3 3.97Å; F140-W146 HydrophobicContact CB-CG 3.79Å; F140-W146 HydrophobicContact CD1-CD2 4.14Å; F140-W146 AromaticContact CD1-CE2 3.95Å; F140-W146 HydrophobicContact CD1-CE3 4.26Å; F140-W146 AromaticContact CD1-CH2 4Å; F140-W146 HydrophobicContact CD1-CH2 4Å; F140-W146 AromaticContact CD1-CZ2 3.89Å; F140-W146 HydrophobicContact CD1-CZ2 3.89Å; F140-W146 HydrophobicContact CD1-CZ3 4.18Å; F140-W146 HydrophobicContact CE1-CH2 4.46Å; F140-W146 HydrophobicContact CG-CD2 4.35Å; F140-W146 HydrophobicContact CG-CE3 4.36Å; F140-W146 WeakPolarHBondContact O-CB 3.24Å; F140-W146 PolarHBondContact O-N 3.14Å; F140-W146 VanDerWaalsContact O-N 3.13Å; E141-W146 WeakPolarHBondContact CG-O 3.36Å; L144-W146 HydrophobicContact CB-CG 4.42Å; L144-W146 PolarHBondContact O-N 2.6Å; W146-D236 HydrophobicContact CE3-CB 4.36Å; W146-D236 HydrophobicContact CH2-CB 3.4Å; W146-D236 HydrophobicContact CZ2-CB 4.35Å; W146-D236 HydrophobicContact CZ3-CB 3.4Å; W146-D236 VanDerWaalsContact CZ3-CB 3.4Å
147	T	98.7	Very high	95.9	Very high	54 Å²	54	22.5 Å²	22.5	33%	0.331	12%	0.118	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	178.6	166.5	59.4	0	0	0	0	107.9	G121 F122 F123	G121-T147 PolarHBondContact O-N 2.73Å; F122-T147 VanDerWaalsContact CA-O 3.32Å; F122-T147 WeakPolarHBondContact CA-O 3.38Å; F122-T147 WeakPolarHBondContact CD2-OG1 3.48Å; F123-T147 WeakPolarHBondContact CD1-O 3.37Å; F123-T147 VanDerWaalsContact CE1-O 3.32Å; F123-T147 WeakPolarHBondContact CE1-O 3.29Å; F123-T147 PolarHBondContact N-O 3.42Å
148	G	98.8	Very high	95.6	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	177	-164.9	178	0	0	0	0	0	114.3	F122 F123 A168 W169	F122-G148 VanDerWaalsContact CE2-CA 3.48Å; F123-G148 CarbonylContact O-C 3.08Å; F123-G148 WeakPolarHBondContact O-CA 3.36Å; G148-A168 CarbonylContact O-C 3.59Å; G148-A168 WeakPolarHBondContact O-CA 3.41Å; G148-A168 WeakPolarHBondContact O-CB 3.43Å; G148-W169 PolarHBondContact O-N 2.57Å
149	L	98.9	Very high	95.3	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	127	172.4	173	61.7	0	0	0	109.5	L82 F122 F123 V124 E125 V151 W169 L171 M226 I230	L82-L149 HydrophobicContact CD2-CD1 3.95Å; F122-L149 HydrophobicContact CZ-CB 4.37Å; F123-L149 PolarHBondContact O-N 3.03Å; V124-L149 CarbonylContact C-O 3.57Å; V124-L149 WeakPolarHBondContact CA-O 3.38Å; V124-L149 HydrophobicContact CG1-CD2 4.48Å; V124-L149 HydrophobicContact CG2-CB 4.31Å; E125-L149 PolarHBondContact N-O 3.46Å; L149-V151 HydrophobicContact CD1-CG2 4.47Å; L149-V151 HydrophobicContact CD2-CG2 4.11Å; L149-V151 HydrophobicContact CG-CG2 3.94Å; L149-W169 CarbonylContact C-O 3.37Å; L149-W169 WeakPolarHBondContact CA-O 3.22Å; L149-W169 HydrophobicContact CD1-CB 3.93Å; L149-L171 HydrophobicContact CD1-CB 3.97Å; L149-M226 HydrophobicContact CD2-CB 3.68Å; L149-M226 HydrophobicContact CD2-CG 4.34Å; L149-I230 HydrophobicContact CB-CD1 4.12Å; L149-I230 HydrophobicContact CD1-CD1 4.09Å; L149-I230 HydrophobicContact CD2-CD1 4.2Å; L149-I230 HydrophobicContact CG-CD1 4.37Å
150	L	98.9	Very high	95.1	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	126.1	171.8	-62.6	173.1	0	0	0	108	F123 E125 A128 L161 R166 A168 W169 V170 L171	F123-L150 HydrophobicContact CE2-CD2 3.68Å; F123-L150 HydrophobicContact CE2-CG 4.14Å; F123-L150 HydrophobicContact CZ-CD2 4.41Å; E125-L150 HydrophobicContact CB-CD2 4.01Å; E125-L150 HydrophobicContact CG-CD2 4.39Å; A128-L150 HydrophobicContact CB-CB 3.7Å; A128-L150 HydrophobicContact CB-CD2 4Å; A128-L150 HydrophobicContact CB-CG 4.38Å; L150-L161 HydrophobicContact CB-CD1 4.49Å; L150-L161 HydrophobicContact CB-CD2 4.42Å; L150-L161 HydrophobicContact CD1-CD1 3.73Å; L150-R166 HydrophobicContact CD1-CB 3.83Å; L150-R166 HydrophobicContact CD1-CG 3.78Å; L150-A168 HydrophobicContact CD1-CB 4.04Å; L150-A168 HydrophobicContact CG-CB 4.04Å; L150-W169 PolarHBondContact N-O 2.86Å; L150-V170 HydrophobicContact CB-CG2 4.33Å; L150-V170 CarbonylContact O-C 3.58Å; L150-V170 VanDerWaalsContact O-CA 3.31Å; L150-V170 WeakPolarHBondContact O-CA 3.44Å; L150-L171 PolarHBondContact O-N 3.37Å
151	V	98.5	Very high	95	Very high	3 Å²	3	31.3 Å²	31.3	2%	0.018	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	121.3	-179.6	-174.9	0	0	0	0	109.6	E125 A126 G127 A128 L149 L171 G173 L175	E125-V151 PolarHBondContact O-N 3.21Å; A126-V151 HydrophobicContact CB-CB 4.16Å; A126-V151 HydrophobicContact CB-CG2 4.36Å; G127-V151 PolarHBondContact N-O 3.27Å; G127-V151 VanDerWaalsContact N-O 3.13Å; A128-V151 PolarHBondContact N-O 3.36Å; L149-V151 HydrophobicContact CD1-CG2 4.47Å; L149-V151 HydrophobicContact CD2-CG2 4.11Å; L149-V151 HydrophobicContact CG-CG2 3.94Å; V151-L171 HydrophobicContact CB-CB 4.43Å; V151-L171 HydrophobicContact CB-CD2 4.4Å; V151-L171 HydrophobicContact CG1-CB 4.23Å; V151-L171 HydrophobicContact CG1-CD2 3.6Å; V151-L171 HydrophobicContact CG1-CG 4.02Å; V151-L171 HydrophobicContact CG2-CB 4.16Å; V151-L171 HydrophobicContact CG2-CD2 4.08Å; V151-G173 WeakPolarHBondContact CG1-O 3.44Å; V151-L175 HydrophobicContact CG1-CG 4.26Å; V151-L175 HydrophobicContact CG2-CD1 4.36Å; V151-L175 HydrophobicContact CG2-CD2 4.33Å; V151-L175 HydrophobicContact CG2-CG 4.17Å
152	E	96	Very high	95	Very high	9 Å²	9	34.4 Å²	34.4	4%	0.042	17%	0.174	C	C	.	.			trans	-147.3	109.8	178.8	-179.5	50.1	-115.8	0	0	111	A128 Y129 D154 N157 Q158 L161 L171 G173	A128-E152 HydrophobicContact CB-CB 4.38Å; Y129-E152 WeakPolarHBondContact CA-OE2 3.37Å; Y129-E152 PolarHBondContact N-OE2 3.23Å; E152-D154 WeakPolarHBondContact OE1-CA 3.22Å; E152-D154 WeakPolarHBondContact OE1-CB 3.27Å; E152-D154 PolarHBondContact OE1-N 2.85Å; E152-N157 HydrophobicContact CG-CB 3.65Å; E152-Q158 HydrophobicContact CB-CG 4.34Å; E152-Q158 HydrophobicContact CG-CG 4.12Å; E152-Q158 WeakPolarHBondContact O-CG 3.38Å; E152-Q158 PolarHBondContact O-NE2 3.38Å; E152-L161 HydrophobicContact CB-CD2 3.89Å; E152-L171 PolarHBondContact N-O 3.1Å; E152-G173 CarbonylContact C-O 3.49Å
153	P	93.3	Very high	95	Very high	21 Å²	21	33.8 Å²	33.8	14%	0.136	18%	0.18	C	C	.	.			trans	-82.6	-21.4	179.6	33	-36.5	0	0	0	113.7	F155 Q158 G173 C174 L186 V218	P153-F155 PolarHBondContact O-N 3.1Å; P153-Q158 PolarHBondContact O-NE2 2.71Å; P153-G173 WeakPolarHBondContact CD-O 3.35Å; P153-C174 HydrophobicContact CB-CB 4.18Å; P153-C174 HydrophobicContact CG-CB 4.2Å; P153-L186 HydrophobicContact CB-CD1 4.46Å; P153-L186 HydrophobicContact CB-CD2 3.95Å; P153-L186 HydrophobicContact CG-CD1 3.89Å; P153-L186 HydrophobicContact CG-CD2 3.98Å; P153-V218 HydrophobicContact CB-CB 4.34Å; P153-V218 HydrophobicContact CB-CG1 4.19Å; P153-V218 HydrophobicContact CB-CG2 4.25Å
154	D	89.3	Confident	95	Very high	13 Å²	13	30.7 Å²	30.7	7%	0.07	17%	0.165	C	C	.	.			trans	-75.3	122.4	-178.6	-178.8	-86.4	0	0	0	111.4	E152 G156 N157 Q158 L186	E152-D154 WeakPolarHBondContact OE1-CA 3.22Å; E152-D154 WeakPolarHBondContact OE1-CB 3.27Å; E152-D154 PolarHBondContact OE1-N 2.85Å; D154-G156 VanDerWaalsContact C-N 3.3Å; D154-G156 PolarHBondContact O-N 3.37Å; D154-G156 VanDerWaalsContact OD1-CA 3.26Å; D154-G156 WeakPolarHBondContact OD1-CA 3.22Å; D154-G156 PolarHBondContact OD1-N 2.72Å; D154-N157 HydrophobicContact CB-CB 4.1Å; D154-N157 PolarHBondContact O-N 3Å; D154-N157 PolarHBondContact OD1-N 3.38Å; D154-Q158 WeakPolarHBondContact O-CB 3.37Å; D154-Q158 VanDerWaalsContact O-CG 3.26Å; D154-Q158 WeakPolarHBondContact O-CG 3.27Å; D154-Q158 PolarHBondContact O-N 3.25Å; D154-L186 HydrophobicContact CB-CD2 4.01Å
155	F	85.9	Confident	95	Very high	72 Å²	72	33.8 Å²	33.8	32%	0.316	18%	0.179	S	C	.	.	H	α-helix	trans	-64	-32.9	-176.3	-177.1	-113.8	0	0	0	113.6	L55 P153 K159	L55-F155 HydrophobicContact CD2-CB 3.97Å; L55-F155 HydrophobicContact CD2-CD1 3.51Å; L55-F155 HydrophobicContact CD2-CD2 4.45Å; L55-F155 HydrophobicContact CD2-CE1 3.97Å; L55-F155 HydrophobicContact CD2-CG 3.75Å; P153-F155 PolarHBondContact O-N 3.1Å; F155-K159 HydrophobicContact CE1-CD 4.31Å; F155-K159 WeakPolarHBondContact O-CG 3.24Å; F155-K159 PolarHBondContact O-N 2.87Å
156	G	83.9	Confident	95	Very high	36 Å²	36	30.7 Å²	30.7	37%	0.371	16%	0.162	S	C	.	.	H	α-helix	trans	-66.7	-44.2	176.3	0	0	0	0	0	111.4	D154 K159 K160	D154-G156 VanDerWaalsContact C-N 3.3Å; D154-G156 PolarHBondContact O-N 3.37Å; D154-G156 VanDerWaalsContact OD1-CA 3.26Å; D154-G156 WeakPolarHBondContact OD1-CA 3.22Å; D154-G156 PolarHBondContact OD1-N 2.72Å; G156-K159 PolarHBondContact O-N 3.23Å; G156-K160 PolarHBondContact O-N 3.36Å
157	N	90.6	Very high	95	Very high	3 Å²	3	31 Å²	31	2%	0.016	16%	0.163	C	C	.	.	H	α-helix	trans	-69.8	-40.4	176.5	-67.3	-25.7	0	0	0	112	Y129 E152 D154 K159 K160 L161	Y129-N157 HydrophobicContact CD2-CB 4.39Å; Y129-N157 WeakPolarHBondContact CD2-ND2 3.38Å; Y129-N157 VanDerWaalsContact CE2-OD1 3.22Å; Y129-N157 WeakPolarHBondContact CE2-OD1 3.45Å; E152-N157 HydrophobicContact CG-CB 3.65Å; D154-N157 HydrophobicContact CB-CB 4.1Å; D154-N157 PolarHBondContact O-N 3Å; D154-N157 PolarHBondContact OD1-N 3.38Å; N157-K159 VanDerWaalsContact C-N 3.28Å; N157-K159 PolarHBondContact O-N 3.2Å; N157-K160 CarbonylContact O-C 3.35Å; N157-K160 WeakPolarHBondContact O-CA 3.3Å; N157-K160 WeakPolarHBondContact O-CB 3.47Å; N157-K160 PolarHBondContact O-N 2.82Å; N157-L161 VanDerWaalsContact O-CB 3.32Å; N157-L161 WeakPolarHBondContact O-CB 3.46Å; N157-L161 PolarHBondContact O-N 3.32Å
158	Q	91.7	Very high	95	Very high	16 Å²	16	28.5 Å²	28.5	8%	0.075	15%	0.148	C	C	.	.	H	α-helix	trans	-53	-44.5	173.1	-75.9	170.5	31.8	0	0	112	E152 P153 D154 K160 L161 L162	E152-Q158 HydrophobicContact CB-CG 4.34Å; E152-Q158 HydrophobicContact CG-CG 4.12Å; E152-Q158 WeakPolarHBondContact O-CG 3.38Å; E152-Q158 PolarHBondContact O-NE2 3.38Å; P153-Q158 PolarHBondContact O-NE2 2.71Å; D154-Q158 WeakPolarHBondContact O-CB 3.37Å; D154-Q158 VanDerWaalsContact O-CG 3.26Å; D154-Q158 WeakPolarHBondContact O-CG 3.27Å; D154-Q158 PolarHBondContact O-N 3.25Å; Q158-K160 VanDerWaalsContact C-N 3.34Å; Q158-K160 PolarHBondContact O-N 3.25Å; Q158-L161 PolarHBondContact O-N 3.28Å; Q158-L162 WeakPolarHBondContact O-CB 3.31Å; Q158-L162 WeakPolarHBondContact O-CG 3.5Å; Q158-L162 PolarHBondContact O-N 2.87Å
159	K	91.9	Very high	95	Very high	125 Å²	125	31.7 Å²	31.7	54%	0.543	16%	0.16	S	C	.	.	H	α-helix	trans	-59.8	-44.8	176.8	-73.9	178	179.6	176.4	0	112	F155 G156 N157 S163	F155-K159 HydrophobicContact CE1-CD 4.31Å; F155-K159 WeakPolarHBondContact O-CG 3.24Å; F155-K159 PolarHBondContact O-N 2.87Å; G156-K159 PolarHBondContact O-N 3.23Å; N157-K159 VanDerWaalsContact C-N 3.28Å; N157-K159 PolarHBondContact O-N 3.2Å; K159-S163 WeakPolarHBondContact O-CB 3.41Å; K159-S163 PolarHBondContact O-N 3.31Å; K159-S163 VanDerWaalsContact O-N 3.14Å
160	K	95	Very high	95	Very high	82 Å²	82	32 Å²	32	36%	0.357	16%	0.162	S	C	.	.	H	α-helix	trans	-64.3	-49.1	177.3	-61	172.1	-172	165.7	0	110.5	D130 G156 N157 Q158 L162 S163 K164 D191	D130-K160 HydrophobicContact CB-CB 3.81Å; D130-K160 HydrophobicContact CB-CD 3.89Å; D130-K160 CarbonylContact O-C 3.59Å; G156-K160 PolarHBondContact O-N 3.36Å; N157-K160 CarbonylContact O-C 3.35Å; N157-K160 WeakPolarHBondContact O-CA 3.3Å; N157-K160 WeakPolarHBondContact O-CB 3.47Å; N157-K160 PolarHBondContact O-N 2.82Å; Q158-K160 VanDerWaalsContact C-N 3.34Å; Q158-K160 PolarHBondContact O-N 3.25Å; K160-L162 PolarHBondContact O-N 2.84Å; K160-S163 WeakPolarHBondContact O-CB 3.22Å; K160-S163 PolarHBondContact O-N 3.02Å; K160-S163 VanDerWaalsContact O-N 3.14Å; K160-S163 PolarHBondContact O-OG 3.19Å; K160-K164 WeakPolarHBondContact O-CG 3.26Å; K160-K164 PolarHBondContact O-N 3.29Å; K160-D191 IonicContact NZ-OD1 3.44Å
161	L	97.1	Very high	95	Very high	1 Å²	1	32 Å²	32	1%	0.005	16%	0.162	C	C	.	.	H	α-helix	trans	-53.8	-51.9	177.5	171.2	63	0	0	0	112.2	A128 D130 L150 E152 N157 Q158 S163 K164 R166 V170	A128-L161 HydrophobicContact CB-CD1 4.47Å; A128-L161 HydrophobicContact CB-CD2 4.21Å; D130-L161 WeakPolarHBondContact O-CA 3.5Å; D130-L161 PolarHBondContact O-N 3.42Å; L150-L161 HydrophobicContact CB-CD1 4.49Å; L150-L161 HydrophobicContact CB-CD2 4.42Å; L150-L161 HydrophobicContact CD1-CD1 3.73Å; E152-L161 HydrophobicContact CB-CD2 3.89Å; N157-L161 VanDerWaalsContact O-CB 3.32Å; N157-L161 WeakPolarHBondContact O-CB 3.46Å; N157-L161 PolarHBondContact O-N 3.32Å; Q158-L161 PolarHBondContact O-N 3.28Å; L161-S163 VanDerWaalsContact C-N 3.26Å; L161-S163 PolarHBondContact O-N 3.07Å; L161-K164 WeakPolarHBondContact O-CB 3.39Å; L161-K164 PolarHBondContact O-N 3.01Å; L161-K164 VanDerWaalsContact O-N 3.09Å; L161-R166 HydrophobicContact CD1-CG 4.35Å; L161-V170 HydrophobicContact CD2-CG1 3.63Å; L161-V170 HydrophobicContact CD2-CG2 4.11Å; L161-V170 HydrophobicContact CG-CG1 4.48Å; L161-V170 HydrophobicContact CG-CG2 4.28Å
162	L	97.2	Very high	94.9	Very high	65 Å²	65	35.4 Å²	35.4	34%	0.34	18%	0.177	S	C	.	.	H	α-helix	trans	-64	-34.1	179.7	-68.2	172.5	0	0	0	111.8	I83 Q158 K160 K164 Q165 V170	I83-L162 HydrophobicContact CB-CD2 4.43Å; I83-L162 HydrophobicContact CD1-CD1 3.67Å; I83-L162 HydrophobicContact CD1-CD2 3.65Å; I83-L162 HydrophobicContact CD1-CG 4.29Å; I83-L162 HydrophobicContact CG2-CD2 4.02Å; Q158-L162 WeakPolarHBondContact O-CB 3.31Å; Q158-L162 WeakPolarHBondContact O-CG 3.5Å; Q158-L162 PolarHBondContact O-N 2.87Å; K160-L162 PolarHBondContact O-N 2.84Å; L162-K164 PolarHBondContact O-N 2.82Å; L162-Q165 PolarHBondContact O-N 2.82Å; L162-V170 HydrophobicContact CD2-CB 4.26Å; L162-V170 HydrophobicContact CD2-CG1 4.33Å; L162-V170 HydrophobicContact CD2-CG2 4.09Å
163	S	97.4	Very high	94.9	Very high	51 Å²	51	35 Å²	35	36%	0.357	18%	0.175	S	C	.	.	H	α-helix	trans	-63.6	-20.2	176.7	82.6	0	0	0	0	113.5	N93 K159 K160 L161 Q165	N93-S163 VanDerWaalsContact CB-O 3.29Å; N93-S163 WeakPolarHBondContact CB-O 3.28Å; N93-S163 PolarHBondContact ND2-O 2.76Å; K159-S163 WeakPolarHBondContact O-CB 3.41Å; K159-S163 PolarHBondContact O-N 3.31Å; K159-S163 VanDerWaalsContact O-N 3.14Å; K160-S163 WeakPolarHBondContact O-CB 3.22Å; K160-S163 PolarHBondContact O-N 3.02Å; K160-S163 VanDerWaalsContact O-N 3.14Å; K160-S163 PolarHBondContact O-OG 3.19Å; L161-S163 VanDerWaalsContact C-N 3.26Å; L161-S163 PolarHBondContact O-N 3.07Å; S163-Q165 VanDerWaalsContact C-N 3.3Å; S163-Q165 PolarHBondContact O-N 3.45Å
164	K	98.1	Very high	95	Very high	16 Å²	16	34.3 Å²	34.3	7%	0.07	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-13.6	-179.7	-56	-53.3	180	166.3	0	114.3	N93 L94 D130 E132 K160 L161 L162 R166	N93-K164 PolarHBondContact N-O 3.13Å; N93-K164 VanDerWaalsContact N-O 3.07Å; N93-K164 VanDerWaalsContact O-CD 3.23Å; N93-K164 WeakPolarHBondContact O-CD 3.18Å; L94-K164 HydrophobicContact CD2-CB 4.33Å; L94-K164 HydrophobicContact CD2-CD 4.41Å; D130-K164 WeakPolarHBondContact O-CE 3.48Å; D130-K164 WeakPolarHBondContact O-CG 3.29Å; E132-K164 HydrophobicContact CB-CD 4.36Å; E132-K164 WeakPolarHBondContact OE2-CE 3.19Å; E132-K164 IonicContact OE2-NZ 3.76Å; E132-K164 PolarHBondContact OE2-NZ 2.92Å; K160-K164 WeakPolarHBondContact O-CG 3.26Å; K160-K164 PolarHBondContact O-N 3.29Å; L161-K164 WeakPolarHBondContact O-CB 3.39Å; L161-K164 PolarHBondContact O-N 3.01Å; L161-K164 VanDerWaalsContact O-N 3.09Å; L162-K164 PolarHBondContact O-N 2.82Å; K164-R166 VanDerWaalsContact C-N 3.31Å; K164-R166 HydrophobicContact CB-CG 4.12Å; K164-R166 PolarHBondContact O-N 2.93Å
165	Q	98	Very high	95.4	Very high	70 Å²	70	33.7 Å²	33.7	33%	0.327	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.6	41	-178.5	-56.9	-64.8	-23.7	0	0	113.1	A86 I90 L162 S163 K167	A86-Q165 HydrophobicContact CB-CB 4.11Å; I90-Q165 HydrophobicContact CG2-CB 4.23Å; I90-Q165 HydrophobicContact CG2-CG 4.04Å; L162-Q165 PolarHBondContact O-N 2.82Å; S163-Q165 VanDerWaalsContact C-N 3.3Å; S163-Q165 PolarHBondContact O-N 3.45Å; Q165-K167 WeakPolarHBondContact O-CE 3.49Å; Q165-K167 PolarHBondContact O-NZ 2.81Å
166	R	98.4	Very high	95.7	Very high	8 Å²	8	30.7 Å²	30.7	3%	0.03	15%	0.154	C	C	.	.			trans	-57.2	148	176.3	-66.6	-70.5	-60.4	-100.2	-2.9	111.5	A86 G131 S135 T137 E141 L150 L161 K164 A168	A86-R166 WeakPolarHBondContact CB-O 3.19Å; A86-R166 PolarHBondContact N-O 2.83Å; A86-R166 VanDerWaalsContact N-O 3.1Å; G131-R166 PolarHBondContact O-NH1 3.35Å; S135-R166 PolarHBondContact OG-NH1 3.02Å; T137-R166 PolarHBondContact OG1-NH2 2.86Å; E141-R166 IonicContact OE1-NE 3.35Å; E141-R166 PolarHBondContact OE1-NE 2.02Å; E141-R166 IonicContact OE2-CZ 3.23Å; E141-R166 VanDerWaalsContact OE2-CZ 3.29Å; E141-R166 IonicContact OE2-NE 3.03Å; E141-R166 PolarHBondContact OE2-NE 3.49Å; E141-R166 IonicContact OE2-NH2 2.59Å; E141-R166 PolarHBondContact OE2-NH2 2.86Å; L150-R166 HydrophobicContact CD1-CB 3.83Å; L150-R166 HydrophobicContact CD1-CG 3.78Å; L161-R166 HydrophobicContact CD1-CG 4.35Å; K164-R166 VanDerWaalsContact C-N 3.31Å; K164-R166 HydrophobicContact CB-CG 4.12Å; K164-R166 PolarHBondContact O-N 2.93Å; R166-A168 PolarHBondContact O-N 3.35Å
167	K	98.4	Very high	96.1	Very high	6 Å²	6	29.2 Å²	29.2	3%	0.026	14%	0.139	C	C	.	.	S	Bend	trans	-94.8	39.1	178.3	-47.8	-56.2	172.6	-142.9	0	111.3	A86 S87 R88 I90 Y92 E141 Q165	A86-K167 HydrophobicContact CB-CD 4.41Å; A86-K167 WeakPolarHBondContact O-CD 3.37Å; S87-K167 VanDerWaalsContact O-CE 3.29Å; S87-K167 WeakPolarHBondContact O-CE 3.37Å; S87-K167 PolarHBondContact O-NZ 2.84Å; R88-K167 HydrophobicContact CG-CD 4.23Å; R88-K167 HydrophobicContact CG-CG 4.38Å; I90-K167 VanDerWaalsContact O-CE 3.32Å; I90-K167 WeakPolarHBondContact O-CE 3.34Å; I90-K167 PolarHBondContact O-NZ 2.93Å; Y92-K167 HydrophobicContact CE1-CG 4.15Å; Y92-K167 HydrophobicContact CE2-CG 4.41Å; Y92-K167 VanDerWaalsContact OH-CG 3.27Å; Y92-K167 WeakPolarHBondContact OH-CG 3.17Å; E141-K167 VanDerWaalsContact CD-N 3.35Å; E141-K167 HydrophobicContact CG-CB 4.11Å; E141-K167 PolarHBondContact OE1-N 3Å; Q165-K167 WeakPolarHBondContact O-CE 3.49Å; Q165-K167 PolarHBondContact O-NZ 2.81Å
168	A	98.7	Very high	96.2	Very high	2 Å²	2	30.8 Å²	30.8	2%	0.017	16%	0.156	C	C	.	.	S	Bend	trans	-135.7	153.7	179.8	0	0	0	0	0	109.8	P85 F123 G148 L150 R166	P85-A168 WeakPolarHBondContact CA-O 3.47Å; F123-A168 HydrophobicContact CE2-CB 3.98Å; F123-A168 HydrophobicContact CZ-CB 3.62Å; G148-A168 CarbonylContact O-C 3.59Å; G148-A168 WeakPolarHBondContact O-CA 3.41Å; G148-A168 WeakPolarHBondContact O-CB 3.43Å; L150-A168 HydrophobicContact CD1-CB 4.04Å; L150-A168 HydrophobicContact CG-CB 4.04Å; R166-A168 PolarHBondContact O-N 3.35Å
169	W	98.8	Very high	96.2	Very high	67 Å²	67	35.4 Å²	35.4	25%	0.254	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	148.9	170.4	-69.1	89.5	0	0	0	109.7	L82 I83 P84 P85 G148 L149 L150 I230	L82-W169 HydrophobicContact CB-CE3 4.09Å; L82-W169 HydrophobicContact CB-CZ3 4.3Å; I83-W169 WeakPolarHBondContact O-CA 3.48Å; P84-W169 HydrophobicContact CB-CE3 4.36Å; P84-W169 HydrophobicContact CB-CH2 4.12Å; P84-W169 HydrophobicContact CB-CZ3 3.91Å; P85-W169 HydrophobicContact CG-CD2 4.43Å; P85-W169 HydrophobicContact CG-CG 4.2Å; G148-W169 PolarHBondContact O-N 2.57Å; L149-W169 CarbonylContact C-O 3.37Å; L149-W169 WeakPolarHBondContact CA-O 3.22Å; L149-W169 HydrophobicContact CD1-CB 3.93Å; L150-W169 PolarHBondContact N-O 2.86Å; W169-I230 HydrophobicContact CB-CD1 3.93Å; W169-I230 HydrophobicContact CD2-CD1 4.31Å; W169-I230 HydrophobicContact CD2-CG1 3.98Å; W169-I230 HydrophobicContact CG-CD1 3.8Å; W169-I230 HydrophobicContact CG-CG1 3.97Å
170	V	98.7	Very high	96.5	Very high	6 Å²	6	34 Å²	34	4%	0.036	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	124.8	172.4	177.2	0	0	0	0	109.2	L82 I83 L150 L161 L162	L82-V170 CarbonylContact C-O 3.59Å; L82-V170 WeakPolarHBondContact CA-O 3.34Å; I83-V170 HydrophobicContact CB-CB 4.23Å; I83-V170 PolarHBondContact N-O 2.84Å; I83-V170 PolarHBondContact O-N 2.93Å; L150-V170 HydrophobicContact CB-CG2 4.33Å; L150-V170 CarbonylContact O-C 3.58Å; L150-V170 VanDerWaalsContact O-CA 3.31Å; L150-V170 WeakPolarHBondContact O-CA 3.44Å; L161-V170 HydrophobicContact CD2-CG1 3.63Å; L161-V170 HydrophobicContact CD2-CG2 4.11Å; L161-V170 HydrophobicContact CG-CG1 4.48Å; L161-V170 HydrophobicContact CG-CG2 4.28Å; L162-V170 HydrophobicContact CD2-CB 4.26Å; L162-V170 HydrophobicContact CD2-CG1 4.33Å; L162-V170 HydrophobicContact CD2-CG2 4.09Å
171	L	98.5	Very high	96.6	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	119.6	166	167.7	59.2	0	0	0	109.2	L82 L149 L150 V151 E152 G173 L175 F221 M226	L82-L171 HydrophobicContact CD2-CB 4.17Å; L149-L171 HydrophobicContact CD1-CB 3.97Å; L150-L171 PolarHBondContact O-N 3.37Å; V151-L171 HydrophobicContact CB-CB 4.43Å; V151-L171 HydrophobicContact CB-CD2 4.4Å; V151-L171 HydrophobicContact CG1-CB 4.23Å; V151-L171 HydrophobicContact CG1-CD2 3.6Å; V151-L171 HydrophobicContact CG1-CG 4.02Å; V151-L171 HydrophobicContact CG2-CB 4.16Å; V151-L171 HydrophobicContact CG2-CD2 4.08Å; E152-L171 PolarHBondContact N-O 3.1Å; L171-G173 PolarHBondContact O-N 3.42Å; L171-G173 VanDerWaalsContact O-N 3.1Å; L171-L175 HydrophobicContact CD2-CD2 4.16Å; L171-F221 HydrophobicContact CD1-CD2 4.05Å; L171-F221 HydrophobicContact CD1-CE2 4.08Å; L171-F221 HydrophobicContact CD2-CD2 4.3Å; L171-M226 HydrophobicContact CD1-SD 3.65Å; L171-M226 HydrophobicContact CD2-CG 3.85Å; L171-M226 HydrophobicContact CD2-SD 3.74Å; L171-M226 HydrophobicContact CG-SD 4.16Å
172	K	95.8	Very high	96.5	Very high	74 Å²	74	34.5 Å²	34.5	32%	0.322	17%	0.171	S	C	.	.	S	Bend	trans	-81.6	64.5	168.5	-61.4	178	-74.5	173.1	0	110.9	H80 Y81 I83	H80-K172 WeakPolarHBondContact O-CE 3.33Å; H80-K172 PolarHBondContact O-NZ 2.87Å; Y81-K172 PolarHBondContact O-N 2.98Å; I83-K172 HydrophobicContact CD1-CD 3.66Å; I83-K172 HydrophobicContact CD1-CG 3.87Å; I83-K172 HydrophobicContact CG1-CD 4.24Å; I83-K172 HydrophobicContact CG1-CG 4.41Å
173	G	95.6	Very high	96.3	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.167	C	C	.	.	S	Bend	trans	179.9	-169.1	-172.5	0	0	0	0	0	110.5	V151 E152 P153 L171 W219	V151-G173 WeakPolarHBondContact CG1-O 3.44Å; E152-G173 CarbonylContact C-O 3.49Å; P153-G173 WeakPolarHBondContact CD-O 3.35Å; L171-G173 PolarHBondContact O-N 3.42Å; L171-G173 VanDerWaalsContact O-N 3.1Å; G173-W219 WeakPolarHBondContact CA-O 3.39Å
174	C	96.1	Very high	96.1	Very high	7 Å²	7	32.4 Å²	32.4	5%	0.047	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	168.2	-179.9	28.7	0	0	0	0	111.5	P153 V218 W219 C220 F221	P153-C174 HydrophobicContact CB-CB 4.18Å; P153-C174 HydrophobicContact CG-CB 4.2Å; C174-V218 VanDerWaalsContact SG-CG2 3.56Å; C174-W219 PolarHBondContact N-O 2.87Å; C174-W219 PolarHBondContact SG-O 2.56Å; C174-W219 VanDerWaalsContact SG-O 3.35Å; C174-C220 HydrophobicContact CB-CB 3.81Å; C174-C220 WeakPolarHBondContact CB-SG 3.4Å; C174-C220 CarbonylContact O-C 3.44Å; C174-C220 WeakPolarHBondContact O-CA 3.02Å; C174-C220 WeakPolarHBondContact SG-CA 3.12Å; C174-C220 WeakPolarHBondContact SG-CB 3.13Å; C174-C220 CovalentContact SG-SG 2.02Å; C174-C220 PolarHBondContact SG-SG 3.4Å; C174-F221 PolarHBondContact O-N 2.85Å
175	L	96.7	Very high	95.6	Very high	1 Å²	1	37 Å²	37	1%	0.005	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	141.6	163.9	-60.4	-177	0	0	0	109.2	A126 V151 L171 F221 L223 M226 F238 V249	A126-L175 HydrophobicContact CB-CD1 3.75Å; A126-L175 HydrophobicContact CB-CG 4.32Å; V151-L175 HydrophobicContact CG1-CG 4.26Å; V151-L175 HydrophobicContact CG2-CD1 4.36Å; V151-L175 HydrophobicContact CG2-CD2 4.33Å; V151-L175 HydrophobicContact CG2-CG 4.17Å; L171-L175 HydrophobicContact CD2-CD2 4.16Å; L175-F221 WeakPolarHBondContact CA-O 3.33Å; L175-L223 HydrophobicContact CD1-CB 4.36Å; L175-L223 HydrophobicContact CD1-CD1 3.9Å; L175-L223 HydrophobicContact CD2-CB 4.35Å; L175-L223 HydrophobicContact CD2-CD1 4.2Å; L175-M226 HydrophobicContact CD2-CG 4.4Å; L175-F238 HydrophobicContact CD1-CE2 4.41Å; L175-V249 HydrophobicContact CB-CG1 4.24Å; L175-V249 HydrophobicContact CB-CG2 3.85Å; L175-V249 HydrophobicContact CD1-CG1 4.4Å
176	E	94.1	Very high	95.1	Very high	9 Å²	9	33.8 Å²	33.8	4%	0.042	16%	0.155	C	C	.	.			trans	-149.5	155.1	175.7	176.3	53.3	-133.4	0	0	109.7	K182 M184 Y198 C220 F221 S248	E176-K182 HydrophobicContact CG-CD 3.85Å; E176-K182 IonicContact OE1-NZ 2.6Å; E176-M184 HydrophobicContact CB-SD 4.29Å; E176-M184 HydrophobicContact CG-SD 3.81Å; E176-Y198 PolarHBondContact OE1-OH 2.92Å; E176-Y198 VanDerWaalsContact OE2-CE2 3.3Å; E176-Y198 WeakPolarHBondContact OE2-CE2 3.2Å; E176-Y198 PolarHBondContact OE2-OH 3.23Å; E176-C220 HydrophobicContact CB-CB 3.31Å; E176-C220 HydrophobicContact CG-CB 4.28Å; E176-F221 PolarHBondContact N-O 3.13Å; E176-F221 VanDerWaalsContact N-O 3.07Å; E176-S248 WeakPolarHBondContact OE1-CB 3.45Å; E176-S248 PolarHBondContact OE1-OG 3.17Å
177	G	91.3	Very high	94.3	Very high	5 Å²	5	34 Å²	34	5%	0.052	16%	0.156	C	C	.	.	S	Bend	trans	-77	155.8	-179.5	0	0	0	0	0	114.7	K182 S248 S252	G177-K182 WeakPolarHBondContact O-CE 3.34Å; G177-K182 PolarHBondContact O-NZ 3.44Å; G177-S248 WeakPolarHBondContact CA-O 2.76Å; G177-S248 PolarHBondContact N-OG 3.43Å; G177-S252 VanDerWaalsContact CA-CB 3.48Å; G177-S252 WeakPolarHBondContact CA-OG 3.27Å
178	G	91.6	Very high	93.2	Very high	36 Å²	36	34 Å²	34	37%	0.371	16%	0.157	S	C	.	.	S	Bend	trans	116.3	-176.4	178.1	0	0	0	0	0	112.8	P222	G178-P222 WeakPolarHBondContact O-CB 3.18Å; G178-P222 WeakPolarHBondContact O-CG 3.3Å
179	E	93	Very high	91.7	Very high	112 Å²	112	33.9 Å²	33.9	52%	0.523	16%	0.156	S	C	.	.	S	Bend	trans	-94.4	0.6	-178.3	-61.5	-175.4	178.7	0	0	113.5	K67 S68	K67-E179 CarbonylContact C-O 3.42Å; K67-E179 WeakPolarHBondContact CA-O 3.37Å; K67-E179 IonicContact NZ-OE2 3.64Å; S68-E179 WeakPolarHBondContact CB-O 3.25Å; S68-E179 PolarHBondContact N-O 2.81Å
180	R	97.2	Very high	90.3	Very high	95 Å²	95	36.3 Å²	36.3	36%	0.358	17%	0.172	S	C	.	.	S	Bend	trans	-143.2	153	-171.8	-62.1	-166.8	173.2	73.7	-6	112.2	A64 E65 W66	A64-R180 WeakPolarHBondContact O-CD 3.45Å; E65-R180 PolarHBondContact O-NE 3.28Å; W66-R180 WeakPolarHBondContact O-CG 3.43Å
181	P	97.5	Very high	88.7	Confident	4 Å²	4	40.4 Å²	40.4	3%	0.026	19%	0.194	C	C	.	.			trans	-57.8	146.2	170.4	-20.9	32.5	0	0	0	111.9	I63 W66 L73 W219 C220 F221	I63-P181 HydrophobicContact CG1-CB 4.3Å; I63-P181 HydrophobicContact CG1-CG 4.44Å; W66-P181 VanDerWaalsContact O-CD 3.27Å; W66-P181 WeakPolarHBondContact O-CD 3.09Å; L73-P181 HydrophobicContact CD1-CG 3.7Å; L73-P181 HydrophobicContact CD2-CG 3.67Å; L73-P181 HydrophobicContact CG-CG 4.35Å; P181-W219 HydrophobicContact CB-CE3 3.7Å; P181-W219 HydrophobicContact CB-CZ3 3.92Å; P181-C220 CarbonylContact C-O 3.59Å; P181-C220 VanDerWaalsContact CA-O 3.32Å; P181-C220 WeakPolarHBondContact CA-O 3.17Å; P181-F221 HydrophobicContact CB-CD1 3.85Å; P181-F221 HydrophobicContact CB-CE1 3.96Å; P181-F221 HydrophobicContact CG-CD1 3.81Å; P181-F221 HydrophobicContact CG-CE1 4.03Å
182	K	95.5	Very high	87.2	Confident	90 Å²	90	42 Å²	42	39%	0.391	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	132.2	175.1	-66.1	177.4	-174	159.7	0	110	E176 G177 M184 C220	E176-K182 HydrophobicContact CG-CD 3.85Å; E176-K182 IonicContact OE1-NZ 2.6Å; G177-K182 WeakPolarHBondContact O-CE 3.34Å; G177-K182 PolarHBondContact O-NZ 3.44Å; K182-M184 HydrophobicContact CB-CG 4.22Å; K182-C220 PolarHBondContact N-O 2.9Å; K182-C220 PolarHBondContact O-N 2.68Å
183	K	93.5	Very high	86.2	Confident	59 Å²	59	39.5 Å²	39.5	26%	0.257	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	127.7	168	-165.5	-179.9	-65.5	-170.6	0	108.7	D61 E217 V218 W219	D61-K183 WeakPolarHBondContact OD1-CE 3.21Å; D61-K183 IonicContact OD1-NZ 3.81Å; D61-K183 PolarHBondContact OD1-NZ 2.88Å; D61-K183 IonicContact OD2-NZ 3.75Å; K183-E217 HydrophobicContact CD-CB 4.13Å; K183-E217 HydrophobicContact CD-CG 4.43Å; K183-E217 HydrophobicContact CG-CB 4.23Å; K183-V218 WeakPolarHBondContact CA-O 3.41Å; K183-W219 HydrophobicContact CB-CD2 4.42Å; K183-W219 HydrophobicContact CB-CE3 4.17Å; K183-W219 HydrophobicContact CB-CH2 4.14Å; K183-W219 HydrophobicContact CB-CZ2 4.41Å; K183-W219 HydrophobicContact CB-CZ3 4.03Å
184	M	92.5	Very high	85.5	Confident	14 Å²	14	39.5 Å²	39.5	7%	0.069	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	158.6	-176.7	-60	-169.2	69.1	0	0	110.7	E176 K182 L195 N197 Y198 E217 V218 C220	E176-M184 HydrophobicContact CB-SD 4.29Å; E176-M184 HydrophobicContact CG-SD 3.81Å; K182-M184 HydrophobicContact CB-CG 4.22Å; M184-L195 HydrophobicContact CB-CD2 3.86Å; M184-L195 HydrophobicContact CE-CB 4.34Å; M184-L195 HydrophobicContact CE-CD1 3.94Å; M184-L195 HydrophobicContact SD-CD1 3.92Å; M184-N197 HydrophobicContact CE-CB 4.02Å; M184-Y198 HydrophobicContact CE-CD2 4.43Å; M184-Y198 HydrophobicContact CE-CE2 3.84Å; M184-E217 WeakPolarHBondContact O-CA 3.29Å; M184-V218 PolarHBondContact N-O 3.47Å; M184-V218 PolarHBondContact O-N 3.25Å; M184-C220 HydrophobicContact SD-CB 4.15Å; M184-C220 PolarHBondContact SD-SG 3.38Å
185	R	88.7	Confident	84.6	Confident	113 Å²	113	39.5 Å²	39.5	43%	0.426	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	119.9	178.6	-65.2	172.6	79	-155	18.7	109.5	E196 L215 T216	R185-E196 HydrophobicContact CB-CB 4.17Å; R185-E196 WeakPolarHBondContact CB-OE2 3.22Å; R185-E196 WeakPolarHBondContact CD-OE2 3.43Å; R185-E196 IonicContact CZ-OE2 3.31Å; R185-E196 VanDerWaalsContact CZ-OE2 3.31Å; R185-E196 IonicContact NE-OE2 2.84Å; R185-E196 PolarHBondContact NE-OE2 2.74Å; R185-E196 IonicContact NH1-OE1 3.04Å; R185-E196 PolarHBondContact NH1-OE1 3.39Å; R185-E196 IonicContact NH1-OE2 2.66Å; R185-E196 PolarHBondContact NH1-OE2 2.88Å; R185-E196 PolarHBondContact O-N 3.4Å; R185-L215 HydrophobicContact CB-CD1 4.02Å; R185-T216 CarbonylContact C-O 3.58Å; R185-T216 WeakPolarHBondContact CA-O 2.97Å
186	L	86.5	Confident	83.7	Confident	2 Å²	2	41.5 Å²	41.5	1%	0.01	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	122.2	176.6	-177	78	0	0	0	110.1	P153 D154 G188 L195 L215 T216 V218	P153-L186 HydrophobicContact CB-CD1 4.46Å; P153-L186 HydrophobicContact CB-CD2 3.95Å; P153-L186 HydrophobicContact CG-CD1 3.89Å; P153-L186 HydrophobicContact CG-CD2 3.98Å; D154-L186 HydrophobicContact CB-CD2 4.01Å; L186-G188 PolarHBondContact O-N 3.49Å; L186-L195 HydrophobicContact CB-CD2 4.42Å; L186-L195 HydrophobicContact CD1-CD2 4.1Å; L186-L215 WeakPolarHBondContact O-CA 3.22Å; L186-T216 PolarHBondContact N-O 3.12Å; L186-T216 PolarHBondContact O-N 3.46Å; L186-V218 HydrophobicContact CB-CG1 4.22Å; L186-V218 HydrophobicContact CB-CG2 3.93Å; L186-V218 HydrophobicContact CD2-CG1 4.32Å
187	Y	82.3	Confident	83.1	Confident	13 Å²	13	46.9 Å²	46.9	5%	0.051	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	101.6	165.9	-84.7	-110	0	0	0	109	G193 A194 E196 M199 W204 V213 L215	Y187-G193 WeakPolarHBondContact O-CA 3.46Å; Y187-A194 WeakPolarHBondContact CB-O 3.45Å; Y187-A194 PolarHBondContact N-O 3.32Å; Y187-A194 PolarHBondContact O-N 3.46Å; Y187-E196 HydrophobicContact CD2-CB 3.71Å; Y187-E196 HydrophobicContact CD2-CG 4.06Å; Y187-E196 HydrophobicContact CE2-CB 3.59Å; Y187-E196 HydrophobicContact CE2-CG 3.43Å; Y187-E196 VanDerWaalsContact CE2-CG 3.43Å; Y187-E196 PolarHBondContact OH-OE1 3.05Å; Y187-M199 HydrophobicContact CD1-CE 4.4Å; Y187-M199 HydrophobicContact CD1-SD 4.04Å; Y187-M199 HydrophobicContact CD2-SD 3.82Å; Y187-M199 HydrophobicContact CG-CE 4.42Å; Y187-M199 HydrophobicContact CG-SD 3.57Å; Y187-M199 VanDerWaalsContact CG-SD 3.57Å; Y187-W204 AromaticContact CE1-CD1 3.71Å; Y187-W204 AromaticContact CE1-NE1 3.9Å; Y187-W204 AromaticContact CZ-CD1 3.48Å; Y187-W204 VanDerWaalsContact CZ-CD1 3.48Å; Y187-W204 AromaticContact CZ-NE1 3.48Å; Y187-W204 PolarHBondContact OH-NE1 3.37Å; Y187-V213 HydrophobicContact CD1-CB 4.49Å; Y187-V213 HydrophobicContact CD1-CG1 3.27Å; Y187-V213 HydrophobicContact CD1-CG2 4.43Å; Y187-V213 HydrophobicContact CE1-CG1 3.6Å; Y187-V213 HydrophobicContact CG-CG1 4.13Å; Y187-L215 HydrophobicContact CD2-CD1 3.26Å; Y187-L215 HydrophobicContact CE1-CD1 4.45Å; Y187-L215 HydrophobicContact CE2-CD1 3.13Å; Y187-L215 HydrophobicContact CE2-CD2 4.31Å; Y187-L215 HydrophobicContact CE2-CG 4.34Å; Y187-L215 HydrophobicContact CG-CD1 3.96Å
188	G	74	Confident	82.5	Confident	4 Å²	4	50.2 Å²	50.2	4%	0.041	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	119.7	167.6	0	0	0	0	0	110.3	L186 L192 V213 M214	L186-G188 PolarHBondContact O-N 3.49Å; G188-L192 CarbonylContact C-O 3.58Å; G188-L192 WeakPolarHBondContact CA-O 3.14Å; G188-V213 WeakPolarHBondContact O-CA 3.32Å; G188-M214 PolarHBondContact N-O 2.87Å; G188-M214 PolarHBondContact O-N 3.31Å
189	A	67.6	Low	81.9	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	81.8	-179.4	0	0	0	0	0	111	D191 L192 T207 R211 P212 V213	A189-D191 PolarHBondContact O-N 3.37Å; A189-L192 PolarHBondContact N-O 3.33Å; A189-L192 PolarHBondContact O-N 2.9Å; A189-T207 HydrophobicContact CB-CG2 3.43Å; A189-T207 VanDerWaalsContact CB-CG2 3.43Å; A189-R211 HydrophobicContact CB-CB 4.16Å; A189-R211 PolarHBondContact O-NH1 3.06Å; A189-P212 WeakPolarHBondContact CA-O 3.17Å; A189-V213 HydrophobicContact CB-CG2 4.35Å
190	M	68.9	Low	81.3	Confident	118 Å²	118	45.1 Å²	45.1	58%	0.581	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.2	-107.5	-170.4	-55.1	172.6	62.9	0	0	110.8	L192 P212	M190-L192 VanDerWaalsContact C-N 3.28Å; M190-L192 PolarHBondContact O-N 3.49Å; M190-P212 HydrophobicContact CG-CG 4.24Å
191	D	65.4	Low	80.5	Confident	93 Å²	93	48.1 Å²	48.1	50%	0.497	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	6.5	-174.7	-55.9	-26	0	0	0	112.6	Y129 K160 A189	Y129-D191 HydrophobicContact CE2-CB 3.95Å; Y129-D191 WeakPolarHBondContact OH-CB 3.41Å; Y129-D191 PolarHBondContact OH-OD1 3.33Å; K160-D191 IonicContact NZ-OD1 3.44Å; A189-D191 PolarHBondContact O-N 3.37Å
192	L	68.2	Low	79.6	Confident	33 Å²	33	49.3 Å²	49.3	17%	0.173	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	118.7	-174.7	-172.9	149.9	0	0	0	109.8	G188 A189 M190 A194	G188-L192 CarbonylContact C-O 3.58Å; G188-L192 WeakPolarHBondContact CA-O 3.14Å; A189-L192 PolarHBondContact N-O 3.33Å; A189-L192 PolarHBondContact O-N 2.9Å; M190-L192 VanDerWaalsContact C-N 3.28Å; M190-L192 PolarHBondContact O-N 3.49Å; L192-A194 HydrophobicContact CD2-CB 4.05Å
193	G	74.3	Confident	78.7	Confident	21 Å²	21	45.5 Å²	45.5	22%	0.216	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	117.2	169	0	0	0	0	0	109.1	Y187	Y187-G193 WeakPolarHBondContact O-CA 3.46Å
194	A	80.7	Confident	78	Confident	1 Å²	1	46 Å²	46	1%	0.008	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	140.2	176	0	0	0	0	0	110.7	Y187 L192 M199 E243	Y187-A194 WeakPolarHBondContact CB-O 3.45Å; Y187-A194 PolarHBondContact N-O 3.32Å; Y187-A194 PolarHBondContact O-N 3.46Å; L192-A194 HydrophobicContact CD2-CB 4.05Å; A194-M199 HydrophobicContact CB-CG 4.12Å; A194-M199 HydrophobicContact CB-SD 4.29Å; A194-E243 HydrophobicContact CB-CB 4.21Å
195	L	76.9	Confident	77.4	Confident	7 Å²	7	48.5 Å²	48.5	4%	0.037	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	129.3	175.4	-70.6	176.1	0	0	0	109.9	M184 L186 N197 Y198 M199 V218 A245	M184-L195 HydrophobicContact CB-CD2 3.86Å; M184-L195 HydrophobicContact CE-CB 4.34Å; M184-L195 HydrophobicContact CE-CD1 3.94Å; M184-L195 HydrophobicContact SD-CD1 3.92Å; L186-L195 HydrophobicContact CB-CD2 4.42Å; L186-L195 HydrophobicContact CD1-CD2 4.1Å; L195-N197 PolarHBondContact O-N 3.37Å; L195-N197 VanDerWaalsContact O-N 3.15Å; L195-Y198 HydrophobicContact CB-CD2 3.77Å; L195-Y198 HydrophobicContact CB-CE2 4.41Å; L195-Y198 HydrophobicContact CD1-CD2 4.16Å; L195-Y198 HydrophobicContact CD1-CE2 4.06Å; L195-Y198 PolarHBondContact O-N 2.9Å; L195-M199 PolarHBondContact O-N 2.86Å; L195-V218 HydrophobicContact CD2-CG2 4.16Å; L195-A245 HydrophobicContact CD1-CB 4.37Å
196	E	79	Confident	76.9	Confident	43 Å²	43	46.2 Å²	46.2	20%	0.201	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-52.4	-41.8	-173.6	-175.9	174.8	-156.8	0	0	112.5	R185 Y187 Y198 M199	R185-E196 HydrophobicContact CB-CB 4.17Å; R185-E196 WeakPolarHBondContact CB-OE2 3.22Å; R185-E196 WeakPolarHBondContact CD-OE2 3.43Å; R185-E196 IonicContact CZ-OE2 3.31Å; R185-E196 VanDerWaalsContact CZ-OE2 3.31Å; R185-E196 IonicContact NE-OE2 2.84Å; R185-E196 PolarHBondContact NE-OE2 2.74Å; R185-E196 IonicContact NH1-OE1 3.04Å; R185-E196 PolarHBondContact NH1-OE1 3.39Å; R185-E196 IonicContact NH1-OE2 2.66Å; R185-E196 PolarHBondContact NH1-OE2 2.88Å; R185-E196 PolarHBondContact O-N 3.4Å; Y187-E196 HydrophobicContact CD2-CB 3.71Å; Y187-E196 HydrophobicContact CD2-CG 4.06Å; Y187-E196 HydrophobicContact CE2-CB 3.59Å; Y187-E196 HydrophobicContact CE2-CG 3.43Å; Y187-E196 VanDerWaalsContact CE2-CG 3.43Å; Y187-E196 PolarHBondContact OH-OE1 3.05Å; E196-Y198 PolarHBondContact O-N 3.4Å; E196-Y198 VanDerWaalsContact O-N 3.11Å; E196-M199 PolarHBondContact O-N 2.83Å
197	N	80.2	Confident	76.4	Confident	122 Å²	122	46.7 Å²	46.7	65%	0.652	23%	0.23	S	C	*	.	G	3₁₀ helix	trans	-61.9	-21	-177.8	-68.2	2.5	0	0	0	113.6	M184 L195	M184-N197 HydrophobicContact CE-CB 4.02Å; L195-N197 PolarHBondContact O-N 3.37Å; L195-N197 VanDerWaalsContact O-N 3.15Å
198	Y	79.6	Confident	76	Confident	75 Å²	75	49.2 Å²	49.2	29%	0.294	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-104.7	0.6	-179.9	-60.5	-74.7	0	0	0	112.9	E176 M184 L195 E196 G244 A245 S248	E176-Y198 PolarHBondContact OE1-OH 2.92Å; E176-Y198 VanDerWaalsContact OE2-CE2 3.3Å; E176-Y198 WeakPolarHBondContact OE2-CE2 3.2Å; E176-Y198 PolarHBondContact OE2-OH 3.23Å; M184-Y198 HydrophobicContact CE-CD2 4.43Å; M184-Y198 HydrophobicContact CE-CE2 3.84Å; L195-Y198 HydrophobicContact CB-CD2 3.77Å; L195-Y198 HydrophobicContact CB-CE2 4.41Å; L195-Y198 HydrophobicContact CD1-CD2 4.16Å; L195-Y198 HydrophobicContact CD1-CE2 4.06Å; L195-Y198 PolarHBondContact O-N 2.9Å; E196-Y198 PolarHBondContact O-N 3.4Å; E196-Y198 VanDerWaalsContact O-N 3.11Å; Y198-G244 WeakPolarHBondContact CD1-O 3.45Å; Y198-A245 HydrophobicContact CD2-CB 3.76Å; Y198-A245 HydrophobicContact CE1-CB 4.35Å; Y198-A245 HydrophobicContact CE2-CB 3.43Å; Y198-A245 VanDerWaalsContact CE2-CB 3.43Å; Y198-A245 HydrophobicContact CG-CB 4.32Å; Y198-S248 WeakPolarHBondContact OH-CB 3.48Å; Y198-S248 PolarHBondContact OH-OG 2.85Å
199	M	78.6	Confident	76.1	Confident	22 Å²	22	49.5 Å²	49.5	11%	0.108	24%	0.242	C	C	.	.			trans	-82	132.3	175.6	-62.5	-176.2	75.8	0	0	110.9	Y187 A194 L195 E196 R203 W204	Y187-M199 HydrophobicContact CD1-CE 4.4Å; Y187-M199 HydrophobicContact CD1-SD 4.04Å; Y187-M199 HydrophobicContact CD2-SD 3.82Å; Y187-M199 HydrophobicContact CG-CE 4.42Å; Y187-M199 HydrophobicContact CG-SD 3.57Å; Y187-M199 VanDerWaalsContact CG-SD 3.57Å; A194-M199 HydrophobicContact CB-CG 4.12Å; A194-M199 HydrophobicContact CB-SD 4.29Å; L195-M199 PolarHBondContact O-N 2.86Å; E196-M199 PolarHBondContact O-N 2.83Å; M199-R203 HydrophobicContact CE-CB 4.22Å; M199-R203 HydrophobicContact CE-CG 3.67Å; M199-W204 HydrophobicContact CB-CB 4.39Å; M199-W204 HydrophobicContact CE-CB 4.48Å
200	S	79.7	Confident	76.3	Confident	18 Å²	18	57.8 Å²	57.8	13%	0.126	27%	0.273	C	S	.	.			trans	-65.6	153	165.3	69.9	0	0	0	0	110.4	S202 R203 W204 S271	S200-S202 PolarHBondContact O-N 2.95Å; S200-S202 VanDerWaalsContact O-N 3.16Å; S200-S202 PolarHBondContact OG-OG 2.88Å; S200-S202 VanDerWaalsContact OG-OG 3.11Å; S200-R203 PolarHBondContact O-N 2.9Å; S200-R203 WeakPolarHBondContact OG-CB 3.21Å; S200-R203 PolarHBondContact OG-N 2.89Å; S200-W204 WeakPolarHBondContact O-CB 3.39Å; S200-W204 PolarHBondContact O-N 2.77Å; S200-S271 PolarHBondContact OG-OG 2.9Å
201	F	81.4	Confident	76.4	Confident	158 Å²	158	56.8 Å²	56.8	69%	0.693	26%	0.263	S	S	*	.	H	α-helix	trans	-53	-39	176.7	179.3	-98.7	0	0	0	112.4	W204 F205	F201-W204 HydrophobicContact CD2-CE3 4.01Å; F201-W204 HydrophobicContact CD2-CZ3 4.25Å; F201-W204 AromaticContact CE2-CE3 3.89Å; F201-W204 HydrophobicContact CE2-CE3 3.89Å; F201-W204 AromaticContact CE2-CZ3 3.67Å; F201-W204 HydrophobicContact CE2-CZ3 3.67Å; F201-W204 HydrophobicContact CZ-CZ3 4.24Å; F201-F205 VanDerWaalsContact O-CB 3.25Å; F201-F205 WeakPolarHBondContact O-CB 3.16Å; F201-F205 PolarHBondContact O-N 3.44Å
202	S	78.6	Confident	76.5	Confident	29 Å²	29	54 Å²	54	20%	0.203	25%	0.25	C	S	.	.	H	α-helix	trans	-67.8	-42.9	176	62.5	0	0	0	0	112.3	S200 F205 F206 S271	S200-S202 PolarHBondContact O-N 2.95Å; S200-S202 VanDerWaalsContact O-N 3.16Å; S200-S202 PolarHBondContact OG-OG 2.88Å; S200-S202 VanDerWaalsContact OG-OG 3.11Å; S202-F205 PolarHBondContact O-N 3.17Å; S202-F206 WeakPolarHBondContact O-CB 3.33Å; S202-F206 WeakPolarHBondContact O-CD2 3.29Å; S202-F206 PolarHBondContact O-N 2.68Å; S202-S271 WeakPolarHBondContact OG-CB 3.44Å; S202-S271 PolarHBondContact OG-O 2.91Å
203	R	76.8	Confident	76.7	Confident	11 Å²	11	53.9 Å²	53.9	4%	0.042	25%	0.251	C	S	.	.	H	α-helix	trans	-59.3	-49.9	174.8	-167.4	-173	178.2	135.7	-5.4	110	M199 S200 F205 T207 E243 C270	M199-R203 HydrophobicContact CE-CB 4.22Å; M199-R203 HydrophobicContact CE-CG 3.67Å; S200-R203 PolarHBondContact O-N 2.9Å; S200-R203 WeakPolarHBondContact OG-CB 3.21Å; S200-R203 PolarHBondContact OG-N 2.89Å; R203-F205 PolarHBondContact O-N 3.13Å; R203-T207 VanDerWaalsContact O-CB 3.27Å; R203-T207 WeakPolarHBondContact O-CB 3.26Å; R203-T207 PolarHBondContact O-N 3.4Å; R203-T207 PolarHBondContact O-OG1 3.36Å; R203-E243 IonicContact CZ-OE2 2.71Å; R203-E243 IonicContact NH1-OE2 3.91Å; R203-E243 PolarHBondContact NH1-OE2 3.35Å; R203-E243 IonicContact NH2-OE1 3.42Å; R203-E243 IonicContact NH2-OE2 3Å; R203-E243 PolarHBondContact NH2-OE2 3.46Å; R203-C270 VanDerWaalsContact CD-O 3.31Å; R203-C270 WeakPolarHBondContact CD-O 3.42Å
204	W	79	Confident	76.7	Confident	69 Å²	69	56.3 Å²	56.3	26%	0.261	26%	0.257	S	S	.	.	H	α-helix	trans	-55.1	-52.4	176.9	172.7	86.7	0	0	0	112.2	Y187 M199 S200 F201 K208	Y187-W204 AromaticContact CE1-CD1 3.71Å; Y187-W204 AromaticContact CE1-NE1 3.9Å; Y187-W204 AromaticContact CZ-CD1 3.48Å; Y187-W204 VanDerWaalsContact CZ-CD1 3.48Å; Y187-W204 AromaticContact CZ-NE1 3.48Å; Y187-W204 PolarHBondContact OH-NE1 3.37Å; M199-W204 HydrophobicContact CB-CB 4.39Å; M199-W204 HydrophobicContact CE-CB 4.48Å; S200-W204 WeakPolarHBondContact O-CB 3.39Å; S200-W204 PolarHBondContact O-N 2.77Å; F201-W204 HydrophobicContact CD2-CE3 4.01Å; F201-W204 HydrophobicContact CD2-CZ3 4.25Å; F201-W204 AromaticContact CE2-CE3 3.89Å; F201-W204 HydrophobicContact CE2-CE3 3.89Å; F201-W204 AromaticContact CE2-CZ3 3.67Å; F201-W204 HydrophobicContact CE2-CZ3 3.67Å; F201-W204 HydrophobicContact CZ-CZ3 4.24Å; W204-K208 HydrophobicContact CZ2-CD 4.47Å; W204-K208 WeakPolarHBondContact O-CB 3.22Å; W204-K208 PolarHBondContact O-N 2.92Å; W204-K208 VanDerWaalsContact O-N 3.14Å
205	F	79.5	Confident	76.6	Confident	67 Å²	67	57.3 Å²	57.3	29%	0.294	26%	0.262	S	S	.	.	H	α-helix	trans	-63.2	-49.2	-177.1	-179.6	-100.1	0	0	0	111.9	I37 F201 S202 R203 K208 L209	I37-F205 HydrophobicContact CG2-CZ 4.09Å; F201-F205 VanDerWaalsContact O-CB 3.25Å; F201-F205 WeakPolarHBondContact O-CB 3.16Å; F201-F205 PolarHBondContact O-N 3.44Å; S202-F205 PolarHBondContact O-N 3.17Å; R203-F205 PolarHBondContact O-N 3.13Å; F205-K208 PolarHBondContact O-N 2.86Å; F205-L209 HydrophobicContact CE1-CD2 4.02Å; F205-L209 HydrophobicContact CZ-CD2 4.37Å; F205-L209 WeakPolarHBondContact O-CB 3.19Å; F205-L209 PolarHBondContact O-N 2.81Å
206	F	77.1	Confident	76.8	Confident	65 Å²	65	57.8 Å²	57.8	29%	0.285	27%	0.265	S	S	.	.	H	α-helix	trans	-69.8	-39	-178.3	-74.4	-57.1	0	0	0	112.4	S202 K208 L209 W210	S202-F206 WeakPolarHBondContact O-CB 3.33Å; S202-F206 WeakPolarHBondContact O-CD2 3.29Å; S202-F206 PolarHBondContact O-N 2.68Å; F206-K208 VanDerWaalsContact C-N 3.28Å; F206-K208 PolarHBondContact O-N 3.21Å; F206-L209 PolarHBondContact O-N 2.64Å; F206-W210 AromaticContact CD1-CD1 3.76Å; F206-W210 AromaticContact CD1-NE1 3.34Å; F206-W210 VanDerWaalsContact CD1-NE1 3.34Å; F206-W210 AromaticContact CE1-NE1 4Å; F206-W210 WeakPolarHBondContact O-CB 3.43Å; F206-W210 PolarHBondContact O-N 2.87Å
207	T	76	Confident	77.3	Confident	12 Å²	12	61.1 Å²	61.1	7%	0.074	28%	0.281	C	S	.	.	H	α-helix	trans	-59.8	-43.1	175.5	-58.2	0	0	0	0	110.6	A189 R203 R211 V213	A189-T207 HydrophobicContact CB-CG2 3.43Å; A189-T207 VanDerWaalsContact CB-CG2 3.43Å; R203-T207 VanDerWaalsContact O-CB 3.27Å; R203-T207 WeakPolarHBondContact O-CB 3.26Å; R203-T207 PolarHBondContact O-N 3.4Å; R203-T207 PolarHBondContact O-OG1 3.36Å; T207-R211 WeakPolarHBondContact O-CB 3.4Å; T207-R211 PolarHBondContact O-N 3.4Å; T207-V213 HydrophobicContact CG2-CG2 3.81Å; T207-V213 WeakPolarHBondContact O-CG2 3.32Å
208	K	75	Confident	77.9	Confident	66 Å²	66	56 Å²	56	29%	0.287	25%	0.254	S	S	.	.	H	α-helix	trans	-66.4	-36.4	177.2	-165.5	176.2	-175.4	177.4	0	113.5	N44 W204 F205 F206 V213	N44-K208 PolarHBondContact ND2-O 2.86Å; W204-K208 HydrophobicContact CZ2-CD 4.47Å; W204-K208 WeakPolarHBondContact O-CB 3.22Å; W204-K208 PolarHBondContact O-N 2.92Å; W204-K208 VanDerWaalsContact O-N 3.14Å; F205-K208 PolarHBondContact O-N 2.86Å; F206-K208 VanDerWaalsContact C-N 3.28Å; F206-K208 PolarHBondContact O-N 3.21Å; K208-V213 HydrophobicContact CB-CG2 4.48Å
209	L	76	Confident	78.6	Confident	9 Å²	9	52.6 Å²	52.6	5%	0.047	24%	0.241	C	C	.	.	H	α-helix	trans	-75.1	-38.5	-178.4	-170.7	66.6	0	0	0	112.7	I37 L40 T41 N44 F205 F206	I37-L209 HydrophobicContact CG1-CD2 4.45Å; I37-L209 HydrophobicContact CG2-CD1 3.9Å; I37-L209 HydrophobicContact CG2-CD2 4.37Å; L40-L209 HydrophobicContact CB-CD1 3.79Å; L40-L209 HydrophobicContact CB-CG 4.49Å; T41-L209 VanDerWaalsContact OG1-CD1 3.26Å; T41-L209 WeakPolarHBondContact OG1-CD1 3.35Å; N44-L209 PolarHBondContact ND2-O 3.45Å; F205-L209 HydrophobicContact CE1-CD2 4.02Å; F205-L209 HydrophobicContact CZ-CD2 4.37Å; F205-L209 WeakPolarHBondContact O-CB 3.19Å; F205-L209 PolarHBondContact O-N 2.81Å; F206-L209 PolarHBondContact O-N 2.64Å
210	W	71.4	Confident	79.5	Confident	174 Å²	174	51.6 Å²	51.6	66%	0.659	24%	0.236	S	C	*	.	H	α-helix	trans	-103.1	-18.1	-169.9	-64.5	105.1	0	0	0	114.6	F206	F206-W210 AromaticContact CD1-CD1 3.76Å; F206-W210 AromaticContact CD1-NE1 3.34Å; F206-W210 VanDerWaalsContact CD1-NE1 3.34Å; F206-W210 AromaticContact CE1-NE1 4Å; F206-W210 WeakPolarHBondContact O-CB 3.43Å; F206-W210 PolarHBondContact O-N 2.87Å
211	R	70.5	Confident	80.4	Confident	98 Å²	98	50.7 Å²	50.7	37%	0.37	23%	0.23	S	C	.	.	S	Bend	trans	-129.3	151.1	-176.7	-63.6	-170.1	178.6	-176.4	1.2	112.1	N44 A189 T207 V213	N44-R211 PolarHBondContact ND2-O 3.03Å; A189-R211 HydrophobicContact CB-CB 4.16Å; A189-R211 PolarHBondContact O-NH1 3.06Å; T207-R211 WeakPolarHBondContact O-CB 3.4Å; T207-R211 PolarHBondContact O-N 3.4Å; R211-V213 PolarHBondContact O-N 3.47Å
212	P	67.8	Low	81.1	Confident	35 Å²	35	43.4 Å²	43.4	23%	0.227	20%	0.198	C	C	.	.			trans	-53.9	121	156.9	17.9	-26.5	0	0	0	109.6	Y48 A189 M190	Y48-P212 HydrophobicContact CD1-CB 3.51Å; Y48-P212 HydrophobicContact CD2-CB 3.57Å; Y48-P212 HydrophobicContact CE1-CB 3.5Å; Y48-P212 HydrophobicContact CE1-CG 4.08Å; Y48-P212 HydrophobicContact CE2-CB 3.59Å; Y48-P212 HydrophobicContact CE2-CG 4.2Å; Y48-P212 HydrophobicContact CG-CB 3.54Å; A189-P212 WeakPolarHBondContact CA-O 3.17Å; M190-P212 HydrophobicContact CG-CG 4.24Å
213	V	72.3	Confident	82	Confident	30 Å²	30	42.2 Å²	42.2	18%	0.182	19%	0.189	C	C	.	.			trans	-109.4	120.7	173.9	175.7	0	0	0	0	108.5	Y187 G188 A189 T207 K208 R211	Y187-V213 HydrophobicContact CD1-CB 4.49Å; Y187-V213 HydrophobicContact CD1-CG1 3.27Å; Y187-V213 HydrophobicContact CD1-CG2 4.43Å; Y187-V213 HydrophobicContact CE1-CG1 3.6Å; Y187-V213 HydrophobicContact CG-CG1 4.13Å; G188-V213 WeakPolarHBondContact O-CA 3.32Å; A189-V213 HydrophobicContact CB-CG2 4.35Å; T207-V213 HydrophobicContact CG2-CG2 3.81Å; T207-V213 WeakPolarHBondContact O-CG2 3.32Å; K208-V213 HydrophobicContact CB-CG2 4.48Å; R211-V213 PolarHBondContact O-N 3.47Å
214	M	74.5	Confident	83	Confident	71 Å²	71	42.2 Å²	42.2	35%	0.35	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	125.9	163.4	-169.1	-174.1	-68.7	0	0	107.8	L55 G188 T216	L55-M214 HydrophobicContact CD1-SD 3.96Å; G188-M214 PolarHBondContact N-O 2.87Å; G188-M214 PolarHBondContact O-N 3.31Å; M214-T216 HydrophobicContact CG-CG2 3.82Å; M214-T216 HydrophobicContact SD-CG2 3.84Å
215	L	78.6	Confident	83.9	Confident	23 Å²	23	39 Å²	39	12%	0.12	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	120.2	174.9	-168.1	61.3	0	0	0	108.3	Y52 R185 L186 Y187	Y52-L215 WeakPolarHBondContact CE1-O 3.25Å; Y52-L215 PolarHBondContact OH-O 2.99Å; R185-L215 HydrophobicContact CB-CD1 4.02Å; L186-L215 WeakPolarHBondContact O-CA 3.22Å; Y187-L215 HydrophobicContact CD2-CD1 3.26Å; Y187-L215 HydrophobicContact CE1-CD1 4.45Å; Y187-L215 HydrophobicContact CE2-CD1 3.13Å; Y187-L215 HydrophobicContact CE2-CD2 4.31Å; Y187-L215 HydrophobicContact CE2-CG 4.34Å; Y187-L215 HydrophobicContact CG-CD1 3.96Å
216	T	82.2	Confident	84.8	Confident	16 Å²	16	35.8 Å²	35.8	10%	0.098	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	144.5	-177.3	53.7	0	0	0	0	110.4	L55 R185 L186 M214	L55-T216 HydrophobicContact CD1-CG2 3.43Å; L55-T216 VanDerWaalsContact CD1-CG2 3.43Å; R185-T216 CarbonylContact C-O 3.58Å; R185-T216 WeakPolarHBondContact CA-O 2.97Å; L186-T216 PolarHBondContact N-O 3.12Å; L186-T216 PolarHBondContact O-N 3.46Å; M214-T216 HydrophobicContact CG-CG2 3.82Å; M214-T216 HydrophobicContact SD-CG2 3.84Å
217	E	88.4	Confident	85.8	Confident	114 Å²	114	32.7 Å²	32.7	53%	0.533	15%	0.15	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	134.1	166.7	-66.8	-171.7	118.5	0	0	108.7	I58 K183 M184	I58-E217 WeakPolarHBondContact CD1-O 3.37Å; K183-E217 HydrophobicContact CD-CB 4.13Å; K183-E217 HydrophobicContact CD-CG 4.43Å; K183-E217 HydrophobicContact CG-CB 4.23Å; M184-E217 WeakPolarHBondContact O-CA 3.29Å
218	V	92.3	Very high	86.9	Confident	13 Å²	13	34.2 Å²	34.2	8%	0.079	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	152.4	178.4	-65	0	0	0	0	109.3	P153 C174 K183 M184 L186 L195	P153-V218 HydrophobicContact CB-CB 4.34Å; P153-V218 HydrophobicContact CB-CG1 4.19Å; P153-V218 HydrophobicContact CB-CG2 4.25Å; C174-V218 VanDerWaalsContact SG-CG2 3.56Å; K183-V218 WeakPolarHBondContact CA-O 3.41Å; M184-V218 PolarHBondContact N-O 3.47Å; M184-V218 PolarHBondContact O-N 3.25Å; L186-V218 HydrophobicContact CB-CG1 4.22Å; L186-V218 HydrophobicContact CB-CG2 3.93Å; L186-V218 HydrophobicContact CD2-CG1 4.32Å; L195-V218 HydrophobicContact CD2-CG2 4.16Å
219	W	96.1	Very high	88	Confident	5 Å²	5	31.3 Å²	31.3	2%	0.019	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	130.9	166.7	-76	105.3	0	0	0	110.5	D60 I63 A64 Y81 G173 C174 P181 K183 F221	D60-W219 PolarHBondContact OD1-NE1 3.07Å; I63-W219 HydrophobicContact CD1-CD2 3.71Å; I63-W219 HydrophobicContact CD1-CE3 4.15Å; I63-W219 HydrophobicContact CD1-CG 4.05Å; I63-W219 HydrophobicContact CD1-CH2 4.43Å; I63-W219 HydrophobicContact CD1-CZ2 4Å; I63-W219 HydrophobicContact CD1-CZ3 4.49Å; I63-W219 HydrophobicContact CG1-CD2 4.08Å; I63-W219 HydrophobicContact CG1-CE3 4.15Å; I63-W219 HydrophobicContact CG1-CH2 3.75Å; I63-W219 HydrophobicContact CG1-CZ2 3.64Å; I63-W219 HydrophobicContact CG1-CZ3 3.99Å; A64-W219 HydrophobicContact CB-CH2 3.83Å; A64-W219 HydrophobicContact CB-CZ3 4.05Å; Y81-W219 HydrophobicContact CE1-CB 4.23Å; Y81-W219 AromaticContact CE1-CD1 3.75Å; Y81-W219 HydrophobicContact CE1-CG 4.35Å; Y81-W219 AromaticContact CZ-CD1 3.5Å; Y81-W219 PolarHBondContact OH-NE1 3.19Å; G173-W219 WeakPolarHBondContact CA-O 3.39Å; C174-W219 PolarHBondContact N-O 2.87Å; C174-W219 PolarHBondContact SG-O 2.56Å; C174-W219 VanDerWaalsContact SG-O 3.35Å; P181-W219 HydrophobicContact CB-CE3 3.7Å; P181-W219 HydrophobicContact CB-CZ3 3.92Å; K183-W219 HydrophobicContact CB-CD2 4.42Å; K183-W219 HydrophobicContact CB-CE3 4.17Å; K183-W219 HydrophobicContact CB-CH2 4.14Å; K183-W219 HydrophobicContact CB-CZ2 4.41Å; K183-W219 HydrophobicContact CB-CZ3 4.03Å; W219-F221 HydrophobicContact CB-CD2 4.31Å; W219-F221 HydrophobicContact CB-CE1 4.29Å; W219-F221 HydrophobicContact CB-CE2 3.44Å; W219-F221 VanDerWaalsContact CB-CE2 3.44Å; W219-F221 HydrophobicContact CB-CZ 3.43Å; W219-F221 VanDerWaalsContact CB-CZ 3.43Å; W219-F221 HydrophobicContact CG-CZ 4.09Å
220	C	97	Very high	89	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	138.5	163.8	-50.8	0	0	0	0	109.9	C174 E176 P181 K182 M184	C174-C220 HydrophobicContact CB-CB 3.81Å; C174-C220 WeakPolarHBondContact CB-SG 3.4Å; C174-C220 CarbonylContact O-C 3.44Å; C174-C220 WeakPolarHBondContact O-CA 3.02Å; C174-C220 WeakPolarHBondContact SG-CA 3.12Å; C174-C220 WeakPolarHBondContact SG-CB 3.13Å; C174-C220 CovalentContact SG-SG 2.02Å; C174-C220 PolarHBondContact SG-SG 3.4Å; E176-C220 HydrophobicContact CB-CB 3.31Å; E176-C220 HydrophobicContact CG-CB 4.28Å; P181-C220 CarbonylContact C-O 3.59Å; P181-C220 VanDerWaalsContact CA-O 3.32Å; P181-C220 WeakPolarHBondContact CA-O 3.17Å; K182-C220 PolarHBondContact N-O 2.9Å; K182-C220 PolarHBondContact O-N 2.68Å; M184-C220 HydrophobicContact SD-CB 4.15Å; M184-C220 PolarHBondContact SD-SG 3.38Å
221	F	97.9	Very high	90.3	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	149.4	-174.3	-59.6	-89.8	0	0	0	110.9	I63 L73 V77 Y81 L171 C174 L175 E176 P181 W219 L223 M226	I63-F221 HydrophobicContact CD1-CE1 4.01Å; I63-F221 HydrophobicContact CD1-CZ 4.26Å; L73-F221 HydrophobicContact CD1-CE1 4.36Å; V77-F221 HydrophobicContact CG1-CD1 3.97Å; V77-F221 HydrophobicContact CG1-CE1 3.53Å; V77-F221 HydrophobicContact CG1-CZ 4.06Å; Y81-F221 AromaticContact CD1-CE2 3.96Å; Y81-F221 HydrophobicContact CD1-CE2 3.96Å; Y81-F221 AromaticContact CD1-CZ 3.94Å; Y81-F221 HydrophobicContact CD1-CZ 3.94Å; Y81-F221 AromaticContact CD2-CZ 3.89Å; Y81-F221 HydrophobicContact CD2-CZ 3.89Å; Y81-F221 HydrophobicContact CE1-CZ 4.26Å; Y81-F221 HydrophobicContact CE2-CZ 4.19Å; Y81-F221 HydrophobicContact CG-CE2 4.04Å; Y81-F221 AromaticContact CG-CZ 3.77Å; Y81-F221 HydrophobicContact CG-CZ 3.77Å; L171-F221 HydrophobicContact CD1-CD2 4.05Å; L171-F221 HydrophobicContact CD1-CE2 4.08Å; L171-F221 HydrophobicContact CD2-CD2 4.3Å; C174-F221 PolarHBondContact O-N 2.85Å; L175-F221 WeakPolarHBondContact CA-O 3.33Å; E176-F221 PolarHBondContact N-O 3.13Å; E176-F221 VanDerWaalsContact N-O 3.07Å; P181-F221 HydrophobicContact CB-CD1 3.85Å; P181-F221 HydrophobicContact CB-CE1 3.96Å; P181-F221 HydrophobicContact CG-CD1 3.81Å; P181-F221 HydrophobicContact CG-CE1 4.03Å; W219-F221 HydrophobicContact CB-CD2 4.31Å; W219-F221 HydrophobicContact CB-CE1 4.29Å; W219-F221 HydrophobicContact CB-CE2 3.44Å; W219-F221 VanDerWaalsContact CB-CE2 3.44Å; W219-F221 HydrophobicContact CB-CZ 3.43Å; W219-F221 VanDerWaalsContact CB-CZ 3.43Å; W219-F221 HydrophobicContact CG-CZ 4.09Å; F221-L223 PolarHBondContact O-N 2.98Å; F221-M226 HydrophobicContact CB-CE 3.71Å; F221-M226 HydrophobicContact CB-CG 4.45Å; F221-M226 HydrophobicContact CB-SD 4.47Å; F221-M226 HydrophobicContact CD1-CE 3.83Å; F221-M226 HydrophobicContact CD2-CE 4.13Å; F221-M226 HydrophobicContact CG-CE 3.61Å; F221-M226 HydrophobicContact CG-SD 4.48Å
222	P	97.2	Very high	91.6	Very high	4 Å²	4	25.5 Å²	25.5	3%	0.026	15%	0.148	C	C	.	.			trans	-56.1	136.5	161.1	-23.1	35.7	0	0	0	109.9	G178 E224 T225	G178-P222 WeakPolarHBondContact O-CB 3.18Å; G178-P222 WeakPolarHBondContact O-CG 3.3Å; P222-E224 HydrophobicContact CB-CB 4.47Å; P222-E224 PolarHBondContact O-N 2.9Å; P222-E224 VanDerWaalsContact O-N 3.15Å; P222-T225 WeakPolarHBondContact O-CB 3.4Å; P222-T225 PolarHBondContact O-N 3.06Å
223	L	97.5	Very high	93	Very high	4 Å²	4	25.7 Å²	25.7	2%	0.021	15%	0.146	C	C	.	.	H	α-helix	trans	-54	-38.2	180	174.8	59.3	0	0	0	111.8	V124 L175 F221 T225 M226 L227 F238 L253 L258	V124-L223 HydrophobicContact CG1-CD1 3.97Å; V124-L223 HydrophobicContact CG2-CD1 4.37Å; L175-L223 HydrophobicContact CD1-CB 4.36Å; L175-L223 HydrophobicContact CD1-CD1 3.9Å; L175-L223 HydrophobicContact CD2-CB 4.35Å; L175-L223 HydrophobicContact CD2-CD1 4.2Å; F221-L223 PolarHBondContact O-N 2.98Å; L223-T225 VanDerWaalsContact C-N 3.31Å; L223-T225 PolarHBondContact O-N 2.8Å; L223-M226 PolarHBondContact O-N 3.34Å; L223-M226 VanDerWaalsContact O-N 3.13Å; L223-L227 HydrophobicContact CD1-CD1 4.09Å; L223-L227 HydrophobicContact CD1-CD2 4.35Å; L223-L227 HydrophobicContact CD1-CG 3.91Å; L223-L227 HydrophobicContact CD2-CD1 4.17Å; L223-L227 HydrophobicContact CG-CD1 3.79Å; L223-L227 HydrophobicContact CG-CG 4.04Å; L223-L227 WeakPolarHBondContact O-CG 3.41Å; L223-L227 PolarHBondContact O-N 2.96Å; L223-F238 HydrophobicContact CD2-CE1 4.4Å; L223-F238 HydrophobicContact CD2-CE2 4.16Å; L223-F238 HydrophobicContact CD2-CZ 3.99Å; L223-L253 HydrophobicContact CB-CD2 4.48Å; L223-L253 HydrophobicContact CD2-CD2 3.69Å; L223-L258 HydrophobicContact CD2-CD2 3.91Å
224	E	97.1	Very high	94.2	Very high	12 Å²	12	26.9 Å²	26.9	6%	0.056	15%	0.15	C	C	.	.	H	α-helix	trans	-46.3	-49.4	173.2	-180	159.5	-94.6	0	0	114.7	S68 P222 M226 L227 L228 P254 R257	S68-E224 WeakPolarHBondContact CB-OE2 3.45Å; S68-E224 PolarHBondContact OG-OE2 3.19Å; P222-E224 HydrophobicContact CB-CB 4.47Å; P222-E224 PolarHBondContact O-N 2.9Å; P222-E224 VanDerWaalsContact O-N 3.15Å; E224-M226 PolarHBondContact O-N 3.24Å; E224-L227 PolarHBondContact O-N 2.8Å; E224-L228 HydrophobicContact CG-CD1 3.67Å; E224-L228 HydrophobicContact CG-CG 4.16Å; E224-L228 WeakPolarHBondContact O-CB 3.37Å; E224-L228 WeakPolarHBondContact O-CG 3.39Å; E224-L228 PolarHBondContact O-N 2.8Å; E224-P254 HydrophobicContact CB-CG 4.01Å; E224-P254 HydrophobicContact CG-CG 4.32Å; E224-P254 WeakPolarHBondContact OE1-CB 3.31Å; E224-P254 WeakPolarHBondContact OE1-CG 3.45Å; E224-R257 VanDerWaalsContact CD-CZ 3.42Å; E224-R257 IonicContact OE1-CZ 3.96Å; E224-R257 IonicContact OE1-NE 3.83Å; E224-R257 PolarHBondContact OE1-NE 2.89Å; E224-R257 IonicContact OE1-NH2 3.88Å; E224-R257 PolarHBondContact OE1-NH2 2.84Å; E224-R257 IonicContact OE2-CZ 3.69Å; E224-R257 IonicContact OE2-NH2 2.57Å; E224-R257 PolarHBondContact OE2-NH2 3.46Å
225	T	98.1	Very high	95.4	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-58.5	-41.7	-177.1	-55.6	0	0	0	0	110.5	S68 L73 L74 V77 P222 L223 A229	S68-T225 WeakPolarHBondContact CA-OG1 3.44Å; S68-T225 WeakPolarHBondContact CB-OG1 3.41Å; S68-T225 VanDerWaalsContact O-CA 3.28Å; S68-T225 WeakPolarHBondContact O-CA 3.19Å; S68-T225 WeakPolarHBondContact O-CB 3.4Å; S68-T225 PolarHBondContact O-OG1 2.78Å; L73-T225 HydrophobicContact CD2-CG2 3.49Å; L73-T225 VanDerWaalsContact CD2-CG2 3.49Å; L73-T225 HydrophobicContact CG-CG2 3.62Å; L74-T225 HydrophobicContact CD2-CG2 3.93Å; L74-T225 WeakPolarHBondContact CD2-O 3.31Å; V77-T225 HydrophobicContact CG1-CG2 4.25Å; V77-T225 HydrophobicContact CG2-CG2 4.2Å; P222-T225 WeakPolarHBondContact O-CB 3.4Å; P222-T225 PolarHBondContact O-N 3.06Å; L223-T225 VanDerWaalsContact C-N 3.31Å; L223-T225 PolarHBondContact O-N 2.8Å; T225-A229 WeakPolarHBondContact O-CB 3.46Å; T225-A229 PolarHBondContact O-N 3.03Å
226	M	98.4	Very high	96.3	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-69.9	-42.9	-179.7	-57.8	-59.8	102	0	0	111.5	V77 L82 L149 L171 L175 F221 L223 E224 A229 I230	V77-M226 HydrophobicContact CB-CE 3.77Å; V77-M226 HydrophobicContact CG1-CE 3.73Å; V77-M226 HydrophobicContact CG2-CE 3.76Å; L82-M226 HydrophobicContact CD2-SD 4.02Å; L82-M226 HydrophobicContact CG-SD 4.27Å; L149-M226 HydrophobicContact CD2-CB 3.68Å; L149-M226 HydrophobicContact CD2-CG 4.34Å; L171-M226 HydrophobicContact CD1-SD 3.65Å; L171-M226 HydrophobicContact CD2-CG 3.85Å; L171-M226 HydrophobicContact CD2-SD 3.74Å; L171-M226 HydrophobicContact CG-SD 4.16Å; L175-M226 HydrophobicContact CD2-CG 4.4Å; F221-M226 HydrophobicContact CB-CE 3.71Å; F221-M226 HydrophobicContact CB-CG 4.45Å; F221-M226 HydrophobicContact CB-SD 4.47Å; F221-M226 HydrophobicContact CD1-CE 3.83Å; F221-M226 HydrophobicContact CD2-CE 4.13Å; F221-M226 HydrophobicContact CG-CE 3.61Å; F221-M226 HydrophobicContact CG-SD 4.48Å; L223-M226 PolarHBondContact O-N 3.34Å; L223-M226 VanDerWaalsContact O-N 3.13Å; E224-M226 PolarHBondContact O-N 3.24Å; M226-A229 PolarHBondContact O-N 3.25Å; M226-I230 WeakPolarHBondContact O-CB 3.42Å; M226-I230 WeakPolarHBondContact O-CD1 3.49Å; M226-I230 VanDerWaalsContact O-CG1 3.25Å; M226-I230 WeakPolarHBondContact O-CG1 3.47Å; M226-I230 PolarHBondContact O-N 3Å
227	L	98.2	Very high	97.1	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-66.8	-42.4	-179.9	-72.5	-170.3	0	0	0	112.2	F122 V124 L223 E224 I230 G231 Q232 M233 V235 L258	F122-L227 HydrophobicContact CE1-CD2 3.99Å; V124-L227 HydrophobicContact CG2-CD2 3.95Å; L223-L227 HydrophobicContact CD1-CD1 4.09Å; L223-L227 HydrophobicContact CD1-CD2 4.35Å; L223-L227 HydrophobicContact CD1-CG 3.91Å; L223-L227 HydrophobicContact CD2-CD1 4.17Å; L223-L227 HydrophobicContact CG-CD1 3.79Å; L223-L227 HydrophobicContact CG-CG 4.04Å; L223-L227 WeakPolarHBondContact O-CG 3.41Å; L223-L227 PolarHBondContact O-N 2.96Å; E224-L227 PolarHBondContact O-N 2.8Å; L227-I230 PolarHBondContact O-N 2.54Å; L227-G231 PolarHBondContact O-N 3.42Å; L227-Q232 WeakPolarHBondContact CB-O 3.17Å; L227-Q232 WeakPolarHBondContact CD2-O 3.42Å; L227-Q232 PolarHBondContact O-N 3.45Å; L227-M233 HydrophobicContact CB-SD 3.68Å; L227-V235 HydrophobicContact CD1-CG2 3.91Å; L227-V235 HydrophobicContact CD2-CG2 4.17Å; L227-L258 HydrophobicContact CD1-CD1 3.39Å; L227-L258 HydrophobicContact CD1-CD2 4.16Å; L227-L258 HydrophobicContact CD1-CG 4.39Å
228	L	97.8	Very high	97.6	Very high	44 Å²	44	16.5 Å²	16.5	23%	0.23	10%	0.099	C	C	.	.	H	α-helix	trans	-66.1	-39.8	172.3	-70.5	176.1	0	0	0	112.2	D69 L74 R78 E224 I230 G231 M233	D69-L228 HydrophobicContact CB-CD1 3.57Å; L74-L228 HydrophobicContact CD1-CB 3.98Å; L74-L228 HydrophobicContact CD2-CB 3.77Å; R78-L228 PolarHBondContact NH2-O 2.76Å; E224-L228 HydrophobicContact CG-CD1 3.67Å; E224-L228 HydrophobicContact CG-CG 4.16Å; E224-L228 WeakPolarHBondContact O-CB 3.37Å; E224-L228 WeakPolarHBondContact O-CG 3.39Å; E224-L228 PolarHBondContact O-N 2.8Å; L228-I230 VanDerWaalsContact C-N 3.29Å; L228-I230 PolarHBondContact O-N 3.02Å; L228-G231 PolarHBondContact O-N 2.66Å; L228-M233 HydrophobicContact CD2-CG 4.15Å; L228-M233 HydrophobicContact CD2-SD 3.78Å; L228-M233 HydrophobicContact CG-SD 4Å
229	A	98.4	Very high	97.8	Very high	6 Å²	6	15.9 Å²	15.9	5%	0.05	10%	0.096	C	C	.	.	H	α-helix	trans	-61.1	-40.9	175.6	0	0	0	0	0	111.3	L74 V77 R78 L82 T225 M226	L74-A229 HydrophobicContact CD2-CB 4.4Å; V77-A229 HydrophobicContact CG2-CB 3.65Å; R78-A229 HydrophobicContact CG-CB 4.07Å; R78-A229 VanDerWaalsContact CZ-O 3.31Å; R78-A229 PolarHBondContact NE-O 2.94Å; R78-A229 PolarHBondContact NH2-O 2.71Å; L82-A229 HydrophobicContact CD1-CB 3.68Å; T225-A229 WeakPolarHBondContact O-CB 3.46Å; T225-A229 PolarHBondContact O-N 3.03Å; M226-A229 PolarHBondContact O-N 3.25Å
230	I	98.2	Very high	97.9	Very high	31 Å²	31	15.7 Å²	15.7	16%	0.159	10%	0.095	C	C	.	.	H	α-helix	trans	-74.5	-26.6	176.2	-68.3	166.8	0	0	0	112.1	L82 F122 L149 W169 M226 L227 L228 Q232	L82-I230 HydrophobicContact CD1-CG1 4.14Å; L82-I230 HydrophobicContact CD2-CD1 4.47Å; F122-I230 HydrophobicContact CE2-CG2 4.27Å; F122-I230 HydrophobicContact CZ-CD1 4.46Å; F122-I230 HydrophobicContact CZ-CG2 4.2Å; L149-I230 HydrophobicContact CB-CD1 4.12Å; L149-I230 HydrophobicContact CD1-CD1 4.09Å; L149-I230 HydrophobicContact CD2-CD1 4.2Å; L149-I230 HydrophobicContact CG-CD1 4.37Å; W169-I230 HydrophobicContact CB-CD1 3.93Å; W169-I230 HydrophobicContact CD2-CD1 4.31Å; W169-I230 HydrophobicContact CD2-CG1 3.98Å; W169-I230 HydrophobicContact CG-CD1 3.8Å; W169-I230 HydrophobicContact CG-CG1 3.97Å; M226-I230 WeakPolarHBondContact O-CB 3.42Å; M226-I230 WeakPolarHBondContact O-CD1 3.49Å; M226-I230 VanDerWaalsContact O-CG1 3.25Å; M226-I230 WeakPolarHBondContact O-CG1 3.47Å; M226-I230 PolarHBondContact O-N 3Å; L227-I230 PolarHBondContact O-N 2.54Å; L228-I230 VanDerWaalsContact C-N 3.29Å; L228-I230 PolarHBondContact O-N 3.02Å; I230-Q232 HydrophobicContact CG2-CB 4.05Å
231	G	97.9	Very high	97.7	Very high	65 Å²	65	17.9 Å²	17.9	67%	0.67	11%	0.106	S	C	*	.	T	Hydrogen-bonded Turn	trans	81.2	32.2	-173.7	0	0	0	0	0	113	L227 L228	L227-G231 PolarHBondContact O-N 3.42Å; L228-G231 PolarHBondContact O-N 2.66Å
232	Q	97.6	Very high	97.2	Very high	62 Å²	62	19.1 Å²	19.1	29%	0.29	11%	0.114	S	C	.	.			trans	-133.9	111.8	-179.7	176.9	59.2	-78.8	0	0	110.8	F122 L227 I230 H234	F122-Q232 HydrophobicContact CB-CG 4.22Å; F122-Q232 HydrophobicContact CD1-CG 3.62Å; F122-Q232 HydrophobicContact CD2-CG 3.82Å; F122-Q232 HydrophobicContact CE1-CB 4.41Å; F122-Q232 HydrophobicContact CE1-CG 3.82Å; F122-Q232 HydrophobicContact CE2-CB 4.27Å; F122-Q232 HydrophobicContact CE2-CG 4.01Å; F122-Q232 HydrophobicContact CG-CG 3.62Å; F122-Q232 HydrophobicContact CZ-CB 4.22Å; F122-Q232 HydrophobicContact CZ-CG 4.01Å; L227-Q232 WeakPolarHBondContact CB-O 3.17Å; L227-Q232 WeakPolarHBondContact CD2-O 3.42Å; L227-Q232 PolarHBondContact O-N 3.45Å; I230-Q232 HydrophobicContact CG2-CB 4.05Å; Q232-H234 VanDerWaalsContact CG-O 3.29Å; Q232-H234 WeakPolarHBondContact CG-O 3.46Å; Q232-H234 PolarHBondContact OE1-O 2.86Å
233	M	97.6	Very high	96.6	Very high	39 Å²	39	21.4 Å²	21.4	19%	0.192	12%	0.124	C	C	.	.			trans	-109.5	2.8	177.5	-66.7	-60.2	-63.9	0	0	113.5	L227 L228 R257 L258 D259	L227-M233 HydrophobicContact CB-SD 3.68Å; L228-M233 HydrophobicContact CD2-CG 4.15Å; L228-M233 HydrophobicContact CD2-SD 3.78Å; L228-M233 HydrophobicContact CG-SD 4Å; M233-R257 HydrophobicContact CE-CB 4.37Å; M233-R257 HydrophobicContact CE-CG 3.97Å; M233-L258 HydrophobicContact CE-CB 4.01Å; M233-L258 WeakPolarHBondContact O-CD1 3.35Å; M233-D259 PolarHBondContact O-N 3.29Å
234	H	97.9	Very high	95.9	Very high	55 Å²	55	22.1 Å²	22.1	26%	0.255	13%	0.133	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	122.4	168.6	-179.3	78	0	0	0	110	Q232 D236 D259 T261	Q232-H234 VanDerWaalsContact CG-O 3.29Å; Q232-H234 WeakPolarHBondContact CG-O 3.46Å; Q232-H234 PolarHBondContact OE1-O 2.86Å; H234-D236 IonicContact CD2-OD1 2.7Å; H234-D236 IonicContact CD2-OD2 2.79Å; H234-D236 IonicContact CE1-OD1 3.38Å; H234-D236 IonicContact NE2-OD1 2.66Å; H234-D236 PolarHBondContact NE2-OD1 3.39Å; H234-D236 IonicContact NE2-OD2 3.45Å; H234-D259 IonicContact CE1-OD2 3.39Å; H234-D259 IonicContact ND1-OD2 3.82Å; H234-D259 PolarHBondContact ND1-OD2 3.49Å; H234-T261 PolarHBondContact CE1-OG1 3.36Å
235	V	98.4	Very high	95.6	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	112.8	176.5	-178.8	0	0	0	0	108.1	F122 V124 L227 F238 L258 D259 I260 T261	F122-V235 HydrophobicContact CD1-CG2 4.23Å; V124-V235 HydrophobicContact CB-CG1 4.24Å; V124-V235 HydrophobicContact CG2-CG1 3.89Å; V124-V235 HydrophobicContact CG2-CG2 3.81Å; L227-V235 HydrophobicContact CD1-CG2 3.91Å; L227-V235 HydrophobicContact CD2-CG2 4.17Å; V235-F238 HydrophobicContact CG1-CB 4Å; V235-L258 HydrophobicContact CG2-CD1 3.97Å; V235-D259 PolarHBondContact N-O 2.97Å; V235-I260 HydrophobicContact CB-CG1 4.41Å; V235-I260 CarbonylContact O-C 3.55Å; V235-I260 VanDerWaalsContact O-CA 3.23Å; V235-I260 WeakPolarHBondContact O-CA 3.28Å; V235-T261 PolarHBondContact O-N 3.33Å
236	D	98.5	Very high	95.4	Very high	6 Å²	6	21.6 Å²	21.6	3%	0.032	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	-49.2	173.9	-66.5	-70.1	0	0	0	109.9	F115 K118 G121 F122 W146 H234 T261 V262	F115-D236 HydrophobicContact CE1-CB 3.99Å; F115-D236 HydrophobicContact CZ-CB 4.06Å; F115-D236 VanDerWaalsContact CZ-O 3.28Å; F115-D236 WeakPolarHBondContact CZ-O 3.19Å; K118-D236 WeakPolarHBondContact CE-OD1 3.11Å; K118-D236 IonicContact NZ-OD1 2.72Å; K118-D236 PolarHBondContact NZ-OD1 2.71Å; G121-D236 WeakPolarHBondContact CA-OD2 3.4Å; F122-D236 PolarHBondContact N-OD2 3.15Å; F122-D236 WeakPolarHBondContact O-CA 3.31Å; F122-D236 WeakPolarHBondContact O-CB 3.42Å; F122-D236 PolarHBondContact O-N 2.53Å; W146-D236 HydrophobicContact CE3-CB 4.36Å; W146-D236 HydrophobicContact CH2-CB 3.4Å; W146-D236 HydrophobicContact CZ2-CB 4.35Å; W146-D236 HydrophobicContact CZ3-CB 3.4Å; W146-D236 VanDerWaalsContact CZ3-CB 3.4Å; H234-D236 IonicContact CD2-OD1 2.7Å; H234-D236 IonicContact CD2-OD2 2.79Å; H234-D236 IonicContact CE1-OD1 3.38Å; H234-D236 IonicContact NE2-OD1 2.66Å; H234-D236 PolarHBondContact NE2-OD1 3.39Å; H234-D236 IonicContact NE2-OD2 3.45Å; D236-T261 VanDerWaalsContact O-CB 3.27Å; D236-T261 WeakPolarHBondContact O-CB 3.17Å; D236-V262 PolarHBondContact O-N 3.15Å
237	Y	98.6	Very high	95.2	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	111	-175	-176.9	-150.1	0	0	0	112.3	V111 F115 F122 F123 V124 N136 T137 F140 V239 V262 Q264	V111-Y237 HydrophobicContact CB-CE1 4.4Å; V111-Y237 HydrophobicContact CB-CE2 4.23Å; V111-Y237 HydrophobicContact CG1-CD1 4.07Å; V111-Y237 HydrophobicContact CG1-CD2 3.8Å; V111-Y237 HydrophobicContact CG1-CE1 3.97Å; V111-Y237 HydrophobicContact CG1-CE2 3.7Å; V111-Y237 HydrophobicContact CG1-CG 3.98Å; V111-Y237 HydrophobicContact CG2-CE2 3.79Å; F115-Y237 HydrophobicContact CE2-CG 4.39Å; F122-Y237 PolarHBondContact O-N 3.49Å; F123-Y237 CarbonylContact C-O 3.54Å; F123-Y237 WeakPolarHBondContact CA-O 3.22Å; F123-Y237 WeakPolarHBondContact CB-O 3.41Å; V124-Y237 PolarHBondContact N-O 3.34Å; N136-Y237 HydrophobicContact CB-CE1 4.27Å; T137-Y237 HydrophobicContact CG2-CD1 4.21Å; T137-Y237 HydrophobicContact CG2-CE1 4.25Å; F140-Y237 HydrophobicContact CD2-CD1 4.2Å; F140-Y237 HydrophobicContact CD2-CE1 4.28Å; F140-Y237 AromaticContact CE2-CD1 3.97Å; F140-Y237 HydrophobicContact CE2-CD1 3.97Å; F140-Y237 AromaticContact CE2-CE1 3.77Å; F140-Y237 HydrophobicContact CE2-CE1 3.77Å; F140-Y237 HydrophobicContact CZ-CD1 4.32Å; F140-Y237 HydrophobicContact CZ-CE1 4.3Å; Y237-V239 HydrophobicContact CD1-CG2 4.17Å; Y237-V239 HydrophobicContact CD2-CG2 4.15Å; Y237-V239 HydrophobicContact CE1-CG2 3.6Å; Y237-V239 HydrophobicContact CE2-CG2 3.57Å; Y237-V239 HydrophobicContact CG-CG2 4.42Å; Y237-V262 HydrophobicContact CD2-CB 4.21Å; Y237-V262 HydrophobicContact CD2-CG1 4.03Å; Y237-V262 HydrophobicContact CE2-CG1 4.26Å; Y237-Q264 HydrophobicContact CE2-CB 3.81Å; Y237-Q264 PolarHBondContact OH-OE1 2.8Å
238	F	98.2	Very high	95	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	117	176.6	-179.3	-146.6	0	0	0	110.7	V124 L175 L223 V235 L240 V249 L253 I260 V262 M263 Q264	V124-F238 HydrophobicContact CB-CD2 3.75Å; V124-F238 HydrophobicContact CB-CE2 4.3Å; V124-F238 HydrophobicContact CG1-CD2 3.77Å; V124-F238 HydrophobicContact CG1-CE2 3.8Å; V124-F238 CarbonylContact O-C 3.54Å; V124-F238 WeakPolarHBondContact O-CA 3.32Å; L175-F238 HydrophobicContact CD1-CE2 4.41Å; L223-F238 HydrophobicContact CD2-CE1 4.4Å; L223-F238 HydrophobicContact CD2-CE2 4.16Å; L223-F238 HydrophobicContact CD2-CZ 3.99Å; V235-F238 HydrophobicContact CG1-CB 4Å; F238-L240 HydrophobicContact CE1-CB 4.32Å; F238-L240 HydrophobicContact CE1-CD2 4.3Å; F238-L240 HydrophobicContact CE2-CB 4.33Å; F238-L240 HydrophobicContact CE2-CD1 4.45Å; F238-L240 HydrophobicContact CZ-CB 4.04Å; F238-L240 HydrophobicContact CZ-CD1 3.97Å; F238-L240 HydrophobicContact CZ-CD2 4.25Å; F238-L240 HydrophobicContact CZ-CG 4.32Å; F238-V249 HydrophobicContact CZ-CG1 4.18Å; F238-L253 HydrophobicContact CE1-CD1 4.16Å; F238-L253 HydrophobicContact CE1-CD2 4.15Å; F238-I260 HydrophobicContact CB-CD1 4.34Å; F238-I260 HydrophobicContact CB-CG2 3.71Å; F238-I260 HydrophobicContact CD1-CD1 3.74Å; F238-I260 HydrophobicContact CE1-CD1 4.43Å; F238-I260 HydrophobicContact CG-CD1 4.32Å; F238-V262 PolarHBondContact N-O 3Å; F238-M263 HydrophobicContact CB-CG 4.31Å; F238-M263 HydrophobicContact CD1-CG 4.07Å; F238-M263 HydrophobicContact CD1-SD 4.38Å; F238-M263 CarbonylContact O-C 3.51Å; F238-M263 WeakPolarHBondContact O-CA 3.4Å; F238-Q264 PolarHBondContact O-N 3.23Å
239	V	98.1	Very high	94.9	Very high	1 Å²	1	21.6 Å²	21.6	1%	0.006	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	121.5	174.1	-178.3	0	0	0	0	108.3	V124 E125 A126 N136 T137 Y237 Q264	V124-V239 PolarHBondContact O-N 2.98Å; E125-V239 HydrophobicContact CB-CB 4.18Å; E125-V239 HydrophobicContact CG-CB 4.31Å; E125-V239 HydrophobicContact CG-CG1 4.36Å; A126-V239 PolarHBondContact N-O 2.79Å; N136-V239 HydrophobicContact CB-CG1 4.21Å; N136-V239 HydrophobicContact CB-CG2 3.82Å; T137-V239 HydrophobicContact CG2-CG2 4.27Å; Y237-V239 HydrophobicContact CD1-CG2 4.17Å; Y237-V239 HydrophobicContact CD2-CG2 4.15Å; Y237-V239 HydrophobicContact CE1-CG2 3.6Å; Y237-V239 HydrophobicContact CE2-CG2 3.57Å; Y237-V239 HydrophobicContact CG-CG2 4.42Å; V239-Q264 CarbonylContact C-O 3.57Å; V239-Q264 WeakPolarHBondContact CA-O 3.27Å; V239-Q264 HydrophobicContact CG2-CB 4.42Å
240	L	96.5	Very high	94.8	Very high	1 Å²	1	21.3 Å²	21.3	1%	0.005	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	95.9	-178.8	-175.7	60.6	0	0	0	110	A126 F238 V242 E246 V249 L250 Q264 M265 E266	A126-L240 HydrophobicContact CB-CD1 4.37Å; F238-L240 HydrophobicContact CE1-CB 4.32Å; F238-L240 HydrophobicContact CE1-CD2 4.3Å; F238-L240 HydrophobicContact CE2-CB 4.33Å; F238-L240 HydrophobicContact CE2-CD1 4.45Å; F238-L240 HydrophobicContact CZ-CB 4.04Å; F238-L240 HydrophobicContact CZ-CD1 3.97Å; F238-L240 HydrophobicContact CZ-CD2 4.25Å; F238-L240 HydrophobicContact CZ-CG 4.32Å; L240-V242 HydrophobicContact CD1-CG1 4.04Å; L240-V242 HydrophobicContact CD1-CG2 3.71Å; L240-V242 HydrophobicContact CG-CG2 4.35Å; L240-E246 HydrophobicContact CD2-CB 3.89Å; L240-E246 HydrophobicContact CD2-CG 4.5Å; L240-E246 WeakPolarHBondContact CD2-O 3.38Å; L240-E246 HydrophobicContact CG-CB 3.99Å; L240-E246 HydrophobicContact CG-CG 4.05Å; L240-V249 HydrophobicContact CD1-CB 4.01Å; L240-V249 HydrophobicContact CD1-CG1 3.86Å; L240-V249 HydrophobicContact CD1-CG2 4.33Å; L240-V249 HydrophobicContact CD2-CB 4.27Å; L240-V249 HydrophobicContact CD2-CG1 4.32Å; L240-L250 HydrophobicContact CD2-CB 4.41Å; L240-Q264 PolarHBondContact N-O 2.97Å; L240-M265 HydrophobicContact CB-CG 4.12Å; L240-M265 HydrophobicContact CD2-CG 4.31Å; L240-E266 PolarHBondContact O-N 3.11Å
241	D	93.4	Very high	94.7	Very high	45 Å²	45	25.2 Å²	25.2	24%	0.241	15%	0.146	C	C	.	.			trans	-132.8	74.4	-179.1	-170.4	-8.2	0	0	0	108.5	A126 G127 E266	A126-D241 CarbonylContact O-C 3.54Å; A126-D241 WeakPolarHBondContact O-CA 3.48Å; A126-D241 PolarHBondContact O-N 2.97Å; A126-D241 VanDerWaalsContact O-O 3.04Å; G127-D241 VanDerWaalsContact CA-O 3.22Å; G127-D241 WeakPolarHBondContact CA-O 3.39Å; D241-E266 HydrophobicContact CB-CB 4.41Å
242	V	88.6	Confident	94.5	Very high	26 Å²	26	23.8 Å²	23.8	16%	0.158	13%	0.126	C	C	.	.			trans	-115.7	27	-170.9	-67	0	0	0	0	112.3	A126 L240 G244 A245 E246	A126-V242 HydrophobicContact CB-CG1 3.58Å; L240-V242 HydrophobicContact CD1-CG1 4.04Å; L240-V242 HydrophobicContact CD1-CG2 3.71Å; L240-V242 HydrophobicContact CG-CG2 4.35Å; V242-G244 VanDerWaalsContact C-N 3.28Å; V242-G244 PolarHBondContact O-N 3.47Å; V242-G244 VanDerWaalsContact O-N 3.13Å; V242-A245 HydrophobicContact CB-CB 4.35Å; V242-A245 HydrophobicContact CG2-CB 3.73Å; V242-A245 PolarHBondContact O-N 2.91Å; V242-E246 HydrophobicContact CG2-CB 4.45Å; V242-E246 HydrophobicContact CG2-CG 3.9Å
243	E	83.2	Confident	94.4	Very high	52 Å²	52	21.4 Å²	21.4	24%	0.243	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.3	39.7	167	-70.7	-80.1	-166.2	0	0	114.4	A194 R203 E246	A194-E243 HydrophobicContact CB-CB 4.21Å; R203-E243 IonicContact CZ-OE2 2.71Å; R203-E243 IonicContact NH1-OE2 3.91Å; R203-E243 PolarHBondContact NH1-OE2 3.35Å; R203-E243 IonicContact NH2-OE1 3.42Å; R203-E243 IonicContact NH2-OE2 3Å; R203-E243 PolarHBondContact NH2-OE2 3.46Å; E243-E246 PolarHBondContact N-OE1 3.38Å; E243-E246 VanDerWaalsContact N-OE1 3.17Å
244	G	83.1	Confident	94.2	Very high	20 Å²	20	20.3 Å²	20.3	21%	0.206	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	128.5	-24.4	176.3	0	0	0	0	0	116	Y198 V242 E246	Y198-G244 WeakPolarHBondContact CD1-O 3.45Å; V242-G244 VanDerWaalsContact C-N 3.28Å; V242-G244 PolarHBondContact O-N 3.47Å; V242-G244 VanDerWaalsContact O-N 3.13Å; G244-E246 VanDerWaalsContact C-N 3.32Å; G244-E246 WeakPolarHBondContact CA-OE2 3.16Å; G244-E246 PolarHBondContact N-OE1 2.64Å; G244-E246 PolarHBondContact N-OE2 3.01Å; G244-E246 PolarHBondContact O-N 3.22Å
245	A	89.9	Confident	93.8	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.112	C	C	.	.			trans	-86.6	4.6	-175.7	0	0	0	0	0	114.3	L195 Y198 V242 M247 S248 V249	L195-A245 HydrophobicContact CD1-CB 4.37Å; Y198-A245 HydrophobicContact CD2-CB 3.76Å; Y198-A245 HydrophobicContact CE1-CB 4.35Å; Y198-A245 HydrophobicContact CE2-CB 3.43Å; Y198-A245 VanDerWaalsContact CE2-CB 3.43Å; Y198-A245 HydrophobicContact CG-CB 4.32Å; V242-A245 HydrophobicContact CB-CB 4.35Å; V242-A245 HydrophobicContact CG2-CB 3.73Å; V242-A245 PolarHBondContact O-N 2.91Å; A245-M247 PolarHBondContact O-N 2.85Å; A245-S248 WeakPolarHBondContact O-CB 3.46Å; A245-S248 PolarHBondContact O-N 3.19Å; A245-V249 PolarHBondContact O-N 3.43Å; A245-V249 VanDerWaalsContact O-N 3.1Å
246	E	93.9	Very high	93.4	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-60.5	-43.9	-168.5	-54.9	80	-178.8	0	0	111.3	L240 V242 E243 G244 S248 V249 L250 R283 M287	L240-E246 HydrophobicContact CD2-CB 3.89Å; L240-E246 HydrophobicContact CD2-CG 4.5Å; L240-E246 WeakPolarHBondContact CD2-O 3.38Å; L240-E246 HydrophobicContact CG-CB 3.99Å; L240-E246 HydrophobicContact CG-CG 4.05Å; V242-E246 HydrophobicContact CG2-CB 4.45Å; V242-E246 HydrophobicContact CG2-CG 3.9Å; E243-E246 PolarHBondContact N-OE1 3.38Å; E243-E246 VanDerWaalsContact N-OE1 3.17Å; G244-E246 VanDerWaalsContact C-N 3.32Å; G244-E246 WeakPolarHBondContact CA-OE2 3.16Å; G244-E246 PolarHBondContact N-OE1 2.64Å; G244-E246 PolarHBondContact N-OE2 3.01Å; G244-E246 PolarHBondContact O-N 3.22Å; E246-S248 VanDerWaalsContact C-N 3.3Å; E246-S248 PolarHBondContact O-N 2.92Å; E246-V249 PolarHBondContact O-N 3.46Å; E246-L250 WeakPolarHBondContact O-CB 3.33Å; E246-L250 PolarHBondContact O-N 2.96Å; E246-R283 VanDerWaalsContact CD-NH1 3.3Å; E246-R283 IonicContact OE1-CZ 2.81Å; E246-R283 IonicContact OE1-NH1 3.67Å; E246-R283 PolarHBondContact OE1-NH1 3.31Å; E246-R283 IonicContact OE1-NH2 3.68Å; E246-R283 PolarHBondContact OE1-NH2 3.02Å; E246-R283 IonicContact OE2-CZ 3.79Å; E246-R283 VanDerWaalsContact OE2-CZ 3.31Å; E246-R283 IonicContact OE2-NH1 3.36Å; E246-R283 PolarHBondContact OE2-NH1 2.76Å; E246-R283 IonicContact OE2-NH2 3.4Å; E246-M287 HydrophobicContact CB-CE 3.44Å; E246-M287 VanDerWaalsContact CB-CE 3.44Å; E246-M287 HydrophobicContact CG-CE 4.2Å
247	M	95	Very high	93.1	Very high	14 Å²	14	31.9 Å²	31.9	7%	0.069	17%	0.167	C	C	.	.	H	α-helix	trans	-65.7	-33.4	178.1	-72.1	-54.5	-55.8	0	0	112.8	A245 L250 K251 R283 E286 M287 F290	A245-M247 PolarHBondContact O-N 2.85Å; M247-L250 HydrophobicContact CE-CD2 4.47Å; M247-L250 HydrophobicContact SD-CD2 4.26Å; M247-K251 HydrophobicContact CE-CD 4.43Å; M247-K251 VanDerWaalsContact CE-CE 3.47Å; M247-K251 HydrophobicContact CE-CG 4.43Å; M247-K251 VanDerWaalsContact O-CB 3.29Å; M247-K251 WeakPolarHBondContact O-CB 3.3Å; M247-K251 WeakPolarHBondContact O-CD 3.48Å; M247-K251 WeakPolarHBondContact O-CG 3.49Å; M247-K251 PolarHBondContact O-N 3.04Å; M247-R283 HydrophobicContact CG-CG 4.47Å; M247-E286 HydrophobicContact CE-CG 3.82Å; M247-E286 HydrophobicContact SD-CG 4.42Å; M247-M287 HydrophobicContact CG-CE 4.42Å; M247-M287 HydrophobicContact CG-CG 4.41Å; M247-M287 HydrophobicContact SD-CB 4.15Å; M247-M287 HydrophobicContact SD-CE 4.03Å; M247-M287 HydrophobicContact SD-CG 3.19Å; M247-M287 WeakPolarHBondContact SD-CG 3.15Å; M247-M287 HydrophobicContact SD-SD 4.5Å; M247-F290 HydrophobicContact CE-CB 4Å; M247-F290 HydrophobicContact CE-CG 4.25Å
248	S	94.8	Very high	93	Very high	30 Å²	30	32.2 Å²	32.2	21%	0.21	17%	0.168	C	C	.	.	H	α-helix	trans	-67.6	-47.5	178.3	-169	0	0	0	0	110.6	E176 G177 Y198 A245 E246 K251 S252	E176-S248 WeakPolarHBondContact OE1-CB 3.45Å; E176-S248 PolarHBondContact OE1-OG 3.17Å; G177-S248 WeakPolarHBondContact CA-O 2.76Å; G177-S248 PolarHBondContact N-OG 3.43Å; Y198-S248 WeakPolarHBondContact OH-CB 3.48Å; Y198-S248 PolarHBondContact OH-OG 2.85Å; A245-S248 WeakPolarHBondContact O-CB 3.46Å; A245-S248 PolarHBondContact O-N 3.19Å; E246-S248 VanDerWaalsContact C-N 3.3Å; E246-S248 PolarHBondContact O-N 2.92Å; S248-K251 PolarHBondContact O-N 2.82Å; S248-S252 PolarHBondContact O-N 2.95Å; S248-S252 PolarHBondContact O-OG 2.93Å
249	V	96	Very high	92.9	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.006	18%	0.182	C	C	.	.	H	α-helix	trans	-64	-45.4	177.2	178.2	0	0	0	0	111.3	L175 F238 L240 A245 E246 K251 S252 L253	L175-V249 HydrophobicContact CB-CG1 4.24Å; L175-V249 HydrophobicContact CB-CG2 3.85Å; L175-V249 HydrophobicContact CD1-CG1 4.4Å; F238-V249 HydrophobicContact CZ-CG1 4.18Å; L240-V249 HydrophobicContact CD1-CB 4.01Å; L240-V249 HydrophobicContact CD1-CG1 3.86Å; L240-V249 HydrophobicContact CD1-CG2 4.33Å; L240-V249 HydrophobicContact CD2-CB 4.27Å; L240-V249 HydrophobicContact CD2-CG1 4.32Å; A245-V249 PolarHBondContact O-N 3.43Å; A245-V249 VanDerWaalsContact O-N 3.1Å; E246-V249 PolarHBondContact O-N 3.46Å; V249-K251 VanDerWaalsContact C-N 3.34Å; V249-K251 PolarHBondContact O-N 3.04Å; V249-S252 PolarHBondContact O-N 2.86Å; V249-S252 PolarHBondContact O-OG 3.05Å; V249-L253 PolarHBondContact O-N 3.42Å
250	L	95.8	Very high	92.8	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-61.1	-42.2	-179.2	-179	60.7	0	0	0	112	L240 E246 M247 S252 L253 M263 M265 F290 M291 L295	L240-L250 HydrophobicContact CD2-CB 4.41Å; E246-L250 WeakPolarHBondContact O-CB 3.33Å; E246-L250 PolarHBondContact O-N 2.96Å; M247-L250 HydrophobicContact CE-CD2 4.47Å; M247-L250 HydrophobicContact SD-CD2 4.26Å; L250-S252 PolarHBondContact O-N 3.43Å; L250-L253 HydrophobicContact CD1-CD1 3.9Å; L250-M263 HydrophobicContact CD1-SD 4.3Å; L250-M265 HydrophobicContact CD1-SD 3.75Å; L250-M265 HydrophobicContact CD2-SD 3.73Å; L250-M265 HydrophobicContact CG-SD 4.28Å; L250-F290 HydrophobicContact CD1-CE1 4.26Å; L250-F290 HydrophobicContact CD2-CD1 3.74Å; L250-F290 HydrophobicContact CD2-CE1 4.14Å; L250-F290 HydrophobicContact CG-CD1 3.83Å; L250-F290 HydrophobicContact CG-CE1 3.69Å; L250-M291 HydrophobicContact CD1-SD 4.14Å; L250-M291 HydrophobicContact CD2-SD 4.19Å; L250-L295 HydrophobicContact CD1-CD1 4.3Å
251	K	95.4	Very high	92.9	Very high	113 Å²	113	34.9 Å²	34.9	49%	0.491	18%	0.183	S	C	.	.	H	α-helix	trans	-68.7	-19.4	179.1	-75.1	171.7	-177.8	169.4	0	113.6	M247 S248 V249 E286 F290	M247-K251 HydrophobicContact CE-CD 4.43Å; M247-K251 VanDerWaalsContact CE-CE 3.47Å; M247-K251 HydrophobicContact CE-CG 4.43Å; M247-K251 VanDerWaalsContact O-CB 3.29Å; M247-K251 WeakPolarHBondContact O-CB 3.3Å; M247-K251 WeakPolarHBondContact O-CD 3.48Å; M247-K251 WeakPolarHBondContact O-CG 3.49Å; M247-K251 PolarHBondContact O-N 3.04Å; S248-K251 PolarHBondContact O-N 2.82Å; V249-K251 VanDerWaalsContact C-N 3.34Å; V249-K251 PolarHBondContact O-N 3.04Å; K251-E286 IonicContact NZ-OE1 3.29Å; K251-E286 PolarHBondContact NZ-OE1 2.7Å; K251-F290 HydrophobicContact CB-CE2 4.31Å; K251-F290 HydrophobicContact CB-CZ 4.44Å; K251-F290 HydrophobicContact CG-CD2 3.9Å; K251-F290 HydrophobicContact CG-CE2 3.58Å; K251-F290 HydrophobicContact CG-CZ 4.04Å
252	S	94.8	Very high	93.1	Very high	34 Å²	34	32.8 Å²	32.8	24%	0.238	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.7	4.8	-176.7	66.8	0	0	0	0	114.6	G177 S248 V249 L250	G177-S252 VanDerWaalsContact CA-CB 3.48Å; G177-S252 WeakPolarHBondContact CA-OG 3.27Å; S248-S252 PolarHBondContact O-N 2.95Å; S248-S252 PolarHBondContact O-OG 2.93Å; V249-S252 PolarHBondContact O-N 2.86Å; V249-S252 PolarHBondContact O-OG 3.05Å; L250-S252 PolarHBondContact O-N 3.43Å
253	L	95.1	Very high	93.5	Very high	12 Å²	12	31.5 Å²	31.5	6%	0.063	16%	0.164	C	C	.	.			trans	-63.1	129.4	-179	-64.4	179.4	0	0	0	110.1	L223 F238 V249 L250 L255 L258 I260 M263	L223-L253 HydrophobicContact CB-CD2 4.48Å; L223-L253 HydrophobicContact CD2-CD2 3.69Å; F238-L253 HydrophobicContact CE1-CD1 4.16Å; F238-L253 HydrophobicContact CE1-CD2 4.15Å; V249-L253 PolarHBondContact O-N 3.42Å; L250-L253 HydrophobicContact CD1-CD1 3.9Å; L253-L255 HydrophobicContact CB-CD1 4.15Å; L253-L255 HydrophobicContact CB-CD2 4.02Å; L253-L255 HydrophobicContact CB-CG 3.77Å; L253-L255 HydrophobicContact CD1-CD2 4.39Å; L253-L255 PolarHBondContact O-N 3.26Å; L253-L258 HydrophobicContact CB-CD2 4.49Å; L253-L258 HydrophobicContact CD2-CD2 4.06Å; L253-I260 HydrophobicContact CD1-CD1 4.01Å; L253-M263 HydrophobicContact CD1-SD 4.41Å
254	P	93.2	Very high	94.2	Very high	16 Å²	16	29 Å²	29	10%	0.104	15%	0.152	C	C	.	.			trans	-80.9	66.2	179.9	36.7	-41	0	0	0	110.8	E224 D256 R257 L258	E224-P254 HydrophobicContact CB-CG 4.01Å; E224-P254 HydrophobicContact CG-CG 4.32Å; E224-P254 WeakPolarHBondContact OE1-CB 3.31Å; E224-P254 WeakPolarHBondContact OE1-CG 3.45Å; P254-D256 PolarHBondContact O-N 3.39Å; P254-D256 VanDerWaalsContact O-N 3.08Å; P254-R257 HydrophobicContact CB-CG 4Å; P254-R257 HydrophobicContact CG-CG 4.44Å; P254-R257 WeakPolarHBondContact O-CG 3.43Å; P254-R257 PolarHBondContact O-N 3.37Å; P254-L258 HydrophobicContact CG-CB 3.9Å; P254-L258 HydrophobicContact CG-CD2 4.32Å; P254-L258 WeakPolarHBondContact O-CB 3.18Å; P254-L258 PolarHBondContact O-N 3.47Å
255	L	89.1	Confident	94.8	Very high	54 Å²	54	28.1 Å²	28.1	28%	0.283	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-8.4	-166.7	-66	154.7	0	0	0	114.5	L253 R257 L295	L253-L255 HydrophobicContact CB-CD1 4.15Å; L253-L255 HydrophobicContact CB-CD2 4.02Å; L253-L255 HydrophobicContact CB-CG 3.77Å; L253-L255 HydrophobicContact CD1-CD2 4.39Å; L253-L255 PolarHBondContact O-N 3.26Å; L255-R257 VanDerWaalsContact C-N 3.26Å; L255-L295 HydrophobicContact CD1-CD1 4.13Å; L255-L295 HydrophobicContact CD1-CD2 3.29Å; L255-L295 HydrophobicContact CD1-CG 3.99Å; L255-L295 HydrophobicContact CD2-CD2 3.99Å; L255-L295 HydrophobicContact CG-CD2 4.14Å
256	D	90.9	Very high	95	Very high	145 Å²	145	29.3 Å²	29.3	78%	0.775	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-25	168.2	61.6	-52.3	0	0	0	112.4	P254	P254-D256 PolarHBondContact O-N 3.39Å; P254-D256 VanDerWaalsContact O-N 3.08Å
257	R	92.3	Very high	94.8	Very high	106 Å²	106	30.3 Å²	30.3	40%	0.4	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-128.5	-21.7	-179.3	53.8	178.9	174.5	-165.3	-6.9	115.3	D69 E224 M233 P254 L255	D69-R257 IonicContact OD2-CZ 2.63Å; D69-R257 IonicContact OD2-NH1 3.94Å; D69-R257 PolarHBondContact OD2-NH1 3.36Å; D69-R257 IonicContact OD2-NH2 3.9Å; D69-R257 PolarHBondContact OD2-NH2 3.3Å; E224-R257 VanDerWaalsContact CD-CZ 3.42Å; E224-R257 IonicContact OE1-CZ 3.96Å; E224-R257 IonicContact OE1-NE 3.83Å; E224-R257 PolarHBondContact OE1-NE 2.89Å; E224-R257 IonicContact OE1-NH2 3.88Å; E224-R257 PolarHBondContact OE1-NH2 2.84Å; E224-R257 IonicContact OE2-CZ 3.69Å; E224-R257 IonicContact OE2-NH2 2.57Å; E224-R257 PolarHBondContact OE2-NH2 3.46Å; M233-R257 HydrophobicContact CE-CB 4.37Å; M233-R257 HydrophobicContact CE-CG 3.97Å; P254-R257 HydrophobicContact CB-CG 4Å; P254-R257 HydrophobicContact CG-CG 4.44Å; P254-R257 WeakPolarHBondContact O-CG 3.43Å; P254-R257 PolarHBondContact O-N 3.37Å; L255-R257 VanDerWaalsContact C-N 3.26Å
258	L	95.7	Very high	94.3	Very high	6 Å²	6	29.7 Å²	29.7	3%	0.031	15%	0.149	C	C	.	.			trans	-89.6	117.7	175.8	173.5	56.7	0	0	0	110.6	L223 L227 M233 V235 L253 P254 I260	L223-L258 HydrophobicContact CD2-CD2 3.91Å; L227-L258 HydrophobicContact CD1-CD1 3.39Å; L227-L258 HydrophobicContact CD1-CD2 4.16Å; L227-L258 HydrophobicContact CD1-CG 4.39Å; M233-L258 HydrophobicContact CE-CB 4.01Å; M233-L258 WeakPolarHBondContact O-CD1 3.35Å; V235-L258 HydrophobicContact CG2-CD1 3.97Å; L253-L258 HydrophobicContact CB-CD2 4.49Å; L253-L258 HydrophobicContact CD2-CD2 4.06Å; P254-L258 HydrophobicContact CG-CB 3.9Å; P254-L258 HydrophobicContact CG-CD2 4.32Å; P254-L258 WeakPolarHBondContact O-CB 3.18Å; P254-L258 PolarHBondContact O-N 3.47Å; L258-I260 HydrophobicContact CD1-CG1 4.11Å; L258-I260 HydrophobicContact CD2-CD1 3.92Å; L258-I260 HydrophobicContact CD2-CG1 4.22Å; L258-I260 HydrophobicContact CG-CD1 4.11Å; L258-I260 HydrophobicContact CG-CG1 3.84Å
259	D	95.7	Very high	93.5	Very high	54 Å²	54	30.5 Å²	30.5	29%	0.289	15%	0.15	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	127.8	171.2	-167.1	8.5	0	0	0	111	M233 H234 V235 K312	M233-D259 PolarHBondContact O-N 3.29Å; H234-D259 IonicContact CE1-OD2 3.39Å; H234-D259 IonicContact ND1-OD2 3.82Å; H234-D259 PolarHBondContact ND1-OD2 3.49Å; V235-D259 PolarHBondContact N-O 2.97Å; D259-K312 WeakPolarHBondContact OD1-CD 3.35Å; D259-K312 IonicContact OD1-NZ 3.68Å; D259-K312 PolarHBondContact OD1-NZ 2.74Å; D259-K312 IonicContact OD2-NZ 2.75Å; D259-K312 PolarHBondContact OD2-NZ 2.96Å
260	I	97.4	Very high	92.2	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	127.9	175.3	-48	-177.8	0	0	0	109.8	V235 F238 L253 L258 M263 Y298	V235-I260 HydrophobicContact CB-CG1 4.41Å; V235-I260 CarbonylContact O-C 3.55Å; V235-I260 VanDerWaalsContact O-CA 3.23Å; V235-I260 WeakPolarHBondContact O-CA 3.28Å; F238-I260 HydrophobicContact CB-CD1 4.34Å; F238-I260 HydrophobicContact CB-CG2 3.71Å; F238-I260 HydrophobicContact CD1-CD1 3.74Å; F238-I260 HydrophobicContact CE1-CD1 4.43Å; F238-I260 HydrophobicContact CG-CD1 4.32Å; L253-I260 HydrophobicContact CD1-CD1 4.01Å; L258-I260 HydrophobicContact CD1-CG1 4.11Å; L258-I260 HydrophobicContact CD2-CD1 3.92Å; L258-I260 HydrophobicContact CD2-CG1 4.22Å; L258-I260 HydrophobicContact CG-CD1 4.11Å; L258-I260 HydrophobicContact CG-CG1 3.84Å; I260-M263 HydrophobicContact CB-CG 4.37Å; I260-M263 HydrophobicContact CD1-CG 4.4Å; I260-M263 HydrophobicContact CD1-SD 4.28Å; I260-M263 HydrophobicContact CG2-CG 3.61Å; I260-Y298 VanDerWaalsContact O-CE1 3.27Å; I260-Y298 WeakPolarHBondContact O-CE1 3.5Å; I260-Y298 PolarHBondContact O-OH 2.86Å
261	T	97.5	Very high	90.6	Very high	5 Å²	5	32.5 Å²	32.5	3%	0.031	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	-52.1	180	-56.3	0	0	0	0	111.9	F115 H234 V235 D236 K312 S315 L316	F115-T261 HydrophobicContact CE1-CG2 3.86Å; F115-T261 HydrophobicContact CZ-CG2 4.25Å; H234-T261 PolarHBondContact CE1-OG1 3.36Å; V235-T261 PolarHBondContact O-N 3.33Å; D236-T261 VanDerWaalsContact O-CB 3.27Å; D236-T261 WeakPolarHBondContact O-CB 3.17Å; T261-K312 PolarHBondContact O-N 2.86Å; T261-S315 WeakPolarHBondContact CG2-OG 3.29Å; T261-L316 HydrophobicContact CG2-CD2 3.77Å; T261-L316 HydrophobicContact CG2-CG 4.08Å
262	V	97.7	Very high	89	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	130.1	177.8	178.9	0	0	0	0	109.8	V111 L114 F115 D236 Y237 F238 I309 Y310 V311 L316	V111-V262 HydrophobicContact CG1-CG1 4.19Å; V111-V262 HydrophobicContact CG2-CG1 4.42Å; L114-V262 HydrophobicContact CD1-CG1 4.47Å; F115-V262 HydrophobicContact CE1-CG2 4.26Å; F115-V262 HydrophobicContact CE2-CB 4.05Å; F115-V262 HydrophobicContact CE2-CG2 3.74Å; F115-V262 HydrophobicContact CZ-CB 3.88Å; F115-V262 HydrophobicContact CZ-CG2 3.45Å; F115-V262 VanDerWaalsContact CZ-CG2 3.45Å; D236-V262 PolarHBondContact O-N 3.15Å; Y237-V262 HydrophobicContact CD2-CB 4.21Å; Y237-V262 HydrophobicContact CD2-CG1 4.03Å; Y237-V262 HydrophobicContact CE2-CG1 4.26Å; F238-V262 PolarHBondContact N-O 3Å; V262-I309 HydrophobicContact CG1-CG2 3.92Å; V262-Y310 CarbonylContact C-O 3.6Å; V262-Y310 WeakPolarHBondContact CA-O 3.27Å; V262-V311 HydrophobicContact CG2-CG2 4.3Å; V262-L316 HydrophobicContact CG2-CD1 3.98Å
263	M	97.3	Very high	87.3	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	128.4	170.6	-71.6	-175	-94.2	0	0	110.1	F238 L250 L253 I260 M265 M291 L295 Y298 I309 Y310	F238-M263 HydrophobicContact CB-CG 4.31Å; F238-M263 HydrophobicContact CD1-CG 4.07Å; F238-M263 HydrophobicContact CD1-SD 4.38Å; F238-M263 CarbonylContact O-C 3.51Å; F238-M263 WeakPolarHBondContact O-CA 3.4Å; L250-M263 HydrophobicContact CD1-SD 4.3Å; L253-M263 HydrophobicContact CD1-SD 4.41Å; I260-M263 HydrophobicContact CB-CG 4.37Å; I260-M263 HydrophobicContact CD1-CG 4.4Å; I260-M263 HydrophobicContact CD1-SD 4.28Å; I260-M263 HydrophobicContact CG2-CG 3.61Å; M263-M265 HydrophobicContact CB-CE 4.42Å; M263-M291 HydrophobicContact CE-CE 3.73Å; M263-L295 HydrophobicContact CE-CD1 4.31Å; M263-Y298 HydrophobicContact CE-CD1 3.45Å; M263-Y298 VanDerWaalsContact CE-CD1 3.45Å; M263-Y298 HydrophobicContact CE-CD2 3.85Å; M263-Y298 HydrophobicContact CE-CE1 3.23Å; M263-Y298 HydrophobicContact CE-CE2 3.64Å; M263-Y298 HydrophobicContact CE-CG 3.76Å; M263-I309 CarbonylContact O-C 3.56Å; M263-I309 VanDerWaalsContact O-CA 3.29Å; M263-I309 WeakPolarHBondContact O-CA 3.46Å; M263-Y310 PolarHBondContact N-O 2.98Å; M263-Y310 PolarHBondContact O-N 3.39Å
264	Q	97.2	Very high	85.8	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	124.1	165.1	175.6	177	-46.5	0	0	108.3	Q107 N136 Y237 F238 V239 L240 D307 L308 I309	Q107-Q264 VanDerWaalsContact CB-OE1 3.22Å; N136-Q264 PolarHBondContact OD1-NE2 3.02Å; Y237-Q264 HydrophobicContact CE2-CB 3.81Å; Y237-Q264 PolarHBondContact OH-OE1 2.8Å; F238-Q264 PolarHBondContact O-N 3.23Å; V239-Q264 CarbonylContact C-O 3.57Å; V239-Q264 WeakPolarHBondContact CA-O 3.27Å; V239-Q264 HydrophobicContact CG2-CB 4.42Å; L240-Q264 PolarHBondContact N-O 2.97Å; Q264-D307 HydrophobicContact CG-CB 3.91Å; Q264-D307 WeakPolarHBondContact CG-OD1 3.4Å; Q264-D307 PolarHBondContact NE2-OD1 3.41Å; Q264-L308 CarbonylContact C-O 3.57Å; Q264-L308 WeakPolarHBondContact CA-O 3.31Å; Q264-I309 HydrophobicContact CB-CG1 4.39Å; Q264-I309 HydrophobicContact CG-CG1 4.39Å
265	M	95.7	Very high	84.5	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	127.5	-175.2	-59.6	172.6	-71.5	0	0	110.6	L240 L250 M263 M287 M291 D307 L308 Y310	L240-M265 HydrophobicContact CB-CG 4.12Å; L240-M265 HydrophobicContact CD2-CG 4.31Å; L250-M265 HydrophobicContact CD1-SD 3.75Å; L250-M265 HydrophobicContact CD2-SD 3.73Å; L250-M265 HydrophobicContact CG-SD 4.28Å; M263-M265 HydrophobicContact CB-CE 4.42Å; M265-M287 HydrophobicContact CB-CE 4.48Å; M265-M291 HydrophobicContact CE-CE 4.34Å; M265-M291 HydrophobicContact CE-CG 4.28Å; M265-M291 HydrophobicContact CE-SD 4.05Å; M265-D307 CarbonylContact O-C 3.55Å; M265-D307 WeakPolarHBondContact O-CA 3.27Å; M265-L308 PolarHBondContact N-O 3.04Å; M265-L308 PolarHBondContact O-N 2.99Å; M265-Y310 HydrophobicContact CE-CD2 3.49Å; M265-Y310 VanDerWaalsContact CE-CD2 3.49Å; M265-Y310 HydrophobicContact CE-CE2 3.85Å; M265-Y310 HydrophobicContact CE-CG 4.41Å
266	E	93.5	Very high	84.1	Confident	25 Å²	25	38 Å²	38	12%	0.117	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	129.5	175.8	-157.9	-153.9	-169.9	0	0	110.3	L240 D241 S268 R283 M287	L240-E266 PolarHBondContact O-N 3.11Å; D241-E266 HydrophobicContact CB-CB 4.41Å; E266-S268 WeakPolarHBondContact CG-OG 3.35Å; E266-S268 WeakPolarHBondContact OE1-CB 3.44Å; E266-S268 PolarHBondContact OE1-OG 3.37Å; E266-R283 PolarHBondContact O-NH2 2.94Å; E266-R283 IonicContact OE2-NH2 2.68Å; E266-M287 WeakPolarHBondContact O-CE 3.3Å
267	Y	91.5	Very high	83.8	Confident	21 Å²	21	39.7 Å²	39.7	8%	0.082	20%	0.195	C	C	.	.			trans	-109	1.5	177.9	67.6	-95.7	0	0	0	114	T280 R283 L284 A305 L306 L308	Y267-T280 HydrophobicContact CD2-CG2 3.52Å; Y267-T280 HydrophobicContact CE2-CG2 3.74Å; Y267-T280 WeakPolarHBondContact O-CG2 3.44Å; Y267-R283 VanDerWaalsContact C-CZ 3.41Å; Y267-R283 PolarHBondContact O-NE 3.44Å; Y267-R283 PolarHBondContact O-NH2 3.38Å; Y267-L284 HydrophobicContact CD1-CD1 3.91Å; Y267-L284 HydrophobicContact CD2-CB 3.78Å; Y267-L284 HydrophobicContact CD2-CD1 3.99Å; Y267-L284 HydrophobicContact CD2-CD2 4.38Å; Y267-L284 HydrophobicContact CD2-CG 4.26Å; Y267-L284 HydrophobicContact CE1-CD1 4.09Å; Y267-L284 HydrophobicContact CE2-CB 4.3Å; Y267-L284 HydrophobicContact CE2-CD1 4.21Å; Y267-L284 HydrophobicContact CE2-CD2 4.07Å; Y267-L284 HydrophobicContact CE2-CG 4.43Å; Y267-L284 HydrophobicContact CG-CB 4.22Å; Y267-L284 HydrophobicContact CG-CD1 3.86Å; Y267-A305 PolarHBondContact OH-O 3.48Å; Y267-L306 VanDerWaalsContact CD1-C 3.48Å; Y267-L306 WeakPolarHBondContact CD1-O 3.25Å; Y267-L306 VanDerWaalsContact CE1-O 3.22Å; Y267-L306 WeakPolarHBondContact CE1-O 3.26Å; Y267-L306 HydrophobicContact CE2-CD2 4.43Å; Y267-L306 PolarHBondContact N-O 3.18Å; Y267-L308 HydrophobicContact CD1-CD1 4.41Å; Y267-L308 HydrophobicContact CD1-CG 3.87Å; Y267-L308 HydrophobicContact CE1-CG 4.29Å
268	S	84.5	Confident	83.5	Confident	2 Å²	2	40.5 Å²	40.5	1%	0.014	21%	0.207	C	C	.	.			trans	-62.7	128	174.7	-20.8	0	0	0	0	115.5	E266 R283 L306	E266-S268 WeakPolarHBondContact CG-OG 3.35Å; E266-S268 WeakPolarHBondContact OE1-CB 3.44Å; E266-S268 PolarHBondContact OE1-OG 3.37Å; S268-R283 PolarHBondContact O-NH1 2.93Å; S268-R283 PolarHBondContact O-NH2 2.81Å; S268-L306 WeakPolarHBondContact OG-CB 3.36Å; S268-L306 VanDerWaalsContact OG-CD1 3.28Å; S268-L306 WeakPolarHBondContact OG-CD1 3.39Å
269	I	77.4	Confident	83	Confident	46 Å²	46	44.4 Å²	44.4	24%	0.236	22%	0.224	C	C	.	.			trans	-105.1	113.4	160.9	-64.4	-176.5	0	0	0	109	D276 K279 T280 R283	I269-D276 HydrophobicContact CG2-CB 4.43Å; I269-D276 WeakPolarHBondContact O-CB 3.45Å; I269-D276 PolarHBondContact O-N 3.4Å; I269-K279 HydrophobicContact CB-CB 4.04Å; I269-K279 HydrophobicContact CD1-CB 3.94Å; I269-K279 HydrophobicContact CG2-CB 3.99Å; I269-K279 HydrophobicContact CG2-CD 4.08Å; I269-T280 PolarHBondContact N-OG1 3.38Å; I269-T280 PolarHBondContact O-OG1 3.14Å; I269-R283 HydrophobicContact CD1-CB 3.94Å; I269-R283 HydrophobicContact CG1-CB 4.32Å
270	C	68.5	Low	82.6	Confident	44 Å²	44	41.8 Å²	41.8	30%	0.297	21%	0.21	S	C	.	.	B	Isolated β-bridge	trans	-88.6	127.9	169.4	-69.1	0	0	0	0	110.6	R203	R203-C270 VanDerWaalsContact CD-O 3.31Å; R203-C270 WeakPolarHBondContact CD-O 3.42Å
271	S	62.8	Low	82.3	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.233	C	C	.	.			trans	-103.1	41.9	179.1	-86.1	0	0	0	0	112.1	S200 S202 Y274 D276	S200-S271 PolarHBondContact OG-OG 2.9Å; S202-S271 WeakPolarHBondContact OG-CB 3.44Å; S202-S271 PolarHBondContact OG-O 2.91Å; S271-Y274 PolarHBondContact N-O 2.91Å; S271-D276 WeakPolarHBondContact OG-CB 3.37Å; S271-D276 PolarHBondContact OG-OD2 3.26Å
272	G	61.3	Low	82	Confident	27 Å²	27	51.6 Å²	51.6	28%	0.278	26%	0.259	S	S	.	.	S	Bend	trans	98.1	-109.8	-177.7	0	0	0	0	0	111.3	Y274	G272-Y274 VanDerWaalsContact C-N 3.27Å; G272-Y274 PolarHBondContact O-N 3.47Å
273	A	58.1	Low	81.7	Confident	85 Å²	85	52.1 Å²	52.1	70%	0.702	26%	0.261	S	S	*	.	S	Bend	trans	-78.5	-7.8	-176.5	0	0	0	0	0	114.3
274	Y	64.1	Low	81.5	Confident	130 Å²	130	52.7 Å²	52.7	51%	0.51	26%	0.264	S	S	.	.	S	Bend	trans	-142.8	152	-177.4	58	-90.5	0	0	0	112.5	S271 G272 D276	S271-Y274 PolarHBondContact N-O 2.91Å; G272-Y274 VanDerWaalsContact C-N 3.27Å; G272-Y274 PolarHBondContact O-N 3.47Å; Y274-D276 PolarHBondContact O-N 2.93Å
275	W	66.3	Low	81.4	Confident	77 Å²	77	58.6 Å²	58.6	29%	0.292	29%	0.29	S	S	.	.	B	Isolated β-bridge	trans	-69.6	122.2	171.1	-172.5	82.8	0	0	0	109.5	R277 T280 L306	W275-R277 HydrophobicContact CE3-CB 3.93Å; W275-R277 HydrophobicContact CE3-CG 3.59Å; W275-R277 HydrophobicContact CH2-CB 4.39Å; W275-R277 HydrophobicContact CZ3-CB 3.46Å; W275-R277 VanDerWaalsContact CZ3-CB 3.46Å; W275-R277 HydrophobicContact CZ3-CG 3.46Å; W275-R277 VanDerWaalsContact CZ3-CG 3.46Å; W275-R277 PolarHBondContact O-N 3.41Å; W275-T280 HydrophobicContact CH2-CG2 3.87Å; W275-T280 VanDerWaalsContact CZ2-CB 3.42Å; W275-T280 HydrophobicContact CZ2-CG2 3.06Å; W275-T280 PolarHBondContact NE1-OG1 2.88Å; W275-L306 HydrophobicContact CZ2-CD2 3.83Å
276	D	80.5	Confident	81.4	Confident	26 Å²	26	62.4 Å²	62.4	14%	0.139	31%	0.308	C	S	.	.			trans	-82.8	99.9	-178.5	-164.7	-39.1	0	0	0	108.8	I269 S271 Y274 D278 K279 T280	I269-D276 HydrophobicContact CG2-CB 4.43Å; I269-D276 WeakPolarHBondContact O-CB 3.45Å; I269-D276 PolarHBondContact O-N 3.4Å; S271-D276 WeakPolarHBondContact OG-CB 3.37Å; S271-D276 PolarHBondContact OG-OD2 3.26Å; Y274-D276 PolarHBondContact O-N 2.93Å; D276-D278 VanDerWaalsContact C-N 3.32Å; D276-D278 PolarHBondContact O-N 3.46Å; D276-K279 HydrophobicContact CB-CB 4.07Å; D276-K279 HydrophobicContact CB-CG 4.46Å; D276-K279 PolarHBondContact OD1-N 2.99Å; D276-K279 VanDerWaalsContact OD2-CD 3.31Å; D276-K279 WeakPolarHBondContact OD2-CD 3.13Å; D276-T280 WeakPolarHBondContact O-CB 3.44Å; D276-T280 PolarHBondContact O-N 2.85Å; D276-T280 PolarHBondContact O-OG1 3.11Å
277	R	84.2	Confident	81.5	Confident	180 Å²	180	61.2 Å²	61.2	68%	0.679	30%	0.302	S	S	*	.	H	α-helix	trans	-61.1	-44.6	-171.7	-45.6	-162.6	92.5	-173.9	3.6	111.7	W275 T280 Q281	W275-R277 HydrophobicContact CE3-CB 3.93Å; W275-R277 HydrophobicContact CE3-CG 3.59Å; W275-R277 HydrophobicContact CH2-CB 4.39Å; W275-R277 HydrophobicContact CZ3-CB 3.46Å; W275-R277 VanDerWaalsContact CZ3-CB 3.46Å; W275-R277 HydrophobicContact CZ3-CG 3.46Å; W275-R277 VanDerWaalsContact CZ3-CG 3.46Å; W275-R277 PolarHBondContact O-N 3.41Å; R277-T280 PolarHBondContact O-N 3Å; R277-Q281 WeakPolarHBondContact O-CG 3.48Å; R277-Q281 PolarHBondContact O-N 3.29Å
278	D	85.8	Confident	81.8	Confident	123 Å²	123	64.3 Å²	64.3	66%	0.658	31%	0.314	S	S	*	.	H	α-helix	trans	-71.1	-49.6	-172.3	-62.2	-20.5	0	0	0	109.6	D276 T280 Q281 D282	D276-D278 VanDerWaalsContact C-N 3.32Å; D276-D278 PolarHBondContact O-N 3.46Å; D278-T280 VanDerWaalsContact C-N 3.25Å; D278-T280 PolarHBondContact O-N 3.16Å; D278-Q281 WeakPolarHBondContact O-CB 3.25Å; D278-Q281 PolarHBondContact O-N 2.73Å; D278-D282 PolarHBondContact O-N 3.24Å
279	K	85.9	Confident	82.4	Confident	87 Å²	87	67.9 Å²	67.9	38%	0.378	33%	0.332	S	S	.	.	H	α-helix	trans	-61.3	-35.4	175.6	-67.8	-169.4	-175.8	179.7	0	113	I269 D276 D282 R283	I269-K279 HydrophobicContact CB-CB 4.04Å; I269-K279 HydrophobicContact CD1-CB 3.94Å; I269-K279 HydrophobicContact CG2-CB 3.99Å; I269-K279 HydrophobicContact CG2-CD 4.08Å; D276-K279 HydrophobicContact CB-CB 4.07Å; D276-K279 HydrophobicContact CB-CG 4.46Å; D276-K279 PolarHBondContact OD1-N 2.99Å; D276-K279 VanDerWaalsContact OD2-CD 3.31Å; D276-K279 WeakPolarHBondContact OD2-CD 3.13Å; K279-D282 PolarHBondContact O-N 3.48Å; K279-R283 PolarHBondContact O-N 2.8Å
280	T	87.9	Confident	83.3	Confident	0 Å²	0	67.1 Å²	67.1	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-67.6	-38.3	175.6	-59	0	0	0	0	111.8	Y267 I269 W275 D276 R277 D278 L284	Y267-T280 HydrophobicContact CD2-CG2 3.52Å; Y267-T280 HydrophobicContact CE2-CG2 3.74Å; Y267-T280 WeakPolarHBondContact O-CG2 3.44Å; I269-T280 PolarHBondContact N-OG1 3.38Å; I269-T280 PolarHBondContact O-OG1 3.14Å; W275-T280 HydrophobicContact CH2-CG2 3.87Å; W275-T280 VanDerWaalsContact CZ2-CB 3.42Å; W275-T280 HydrophobicContact CZ2-CG2 3.06Å; W275-T280 PolarHBondContact NE1-OG1 2.88Å; D276-T280 WeakPolarHBondContact O-CB 3.44Å; D276-T280 PolarHBondContact O-N 2.85Å; D276-T280 PolarHBondContact O-OG1 3.11Å; R277-T280 PolarHBondContact O-N 3Å; D278-T280 VanDerWaalsContact C-N 3.25Å; D278-T280 PolarHBondContact O-N 3.16Å; T280-L284 VanDerWaalsContact O-CB 3.27Å; T280-L284 WeakPolarHBondContact O-CB 3.31Å; T280-L284 PolarHBondContact O-N 3.17Å
281	Q	90.4	Very high	84.6	Confident	103 Å²	103	65.1 Å²	65.1	48%	0.481	31%	0.314	S	S	.	.	H	α-helix	trans	-65.9	-39.3	172.9	-70.5	-54.1	-64.9	0	0	111.7	R277 D278 L284 K285	R277-Q281 WeakPolarHBondContact O-CG 3.48Å; R277-Q281 PolarHBondContact O-N 3.29Å; D278-Q281 WeakPolarHBondContact O-CB 3.25Å; D278-Q281 PolarHBondContact O-N 2.73Å; Q281-L284 PolarHBondContact O-N 3.29Å; Q281-K285 WeakPolarHBondContact O-CB 3.13Å; Q281-K285 PolarHBondContact O-N 3.31Å
282	D	91.8	Very high	86.2	Confident	107 Å²	107	68.6 Å²	68.6	57%	0.572	34%	0.342	S	S	*	.	H	α-helix	trans	-63.1	-46.6	176.6	-68	-23	0	0	0	111.3	D278 K279 L284 K285 E286	D278-D282 PolarHBondContact O-N 3.24Å; K279-D282 PolarHBondContact O-N 3.48Å; D282-L284 VanDerWaalsContact C-N 3.35Å; D282-L284 PolarHBondContact O-N 3.3Å; D282-K285 PolarHBondContact O-N 2.72Å; D282-E286 WeakPolarHBondContact O-CB 3.29Å; D282-E286 PolarHBondContact O-N 3.3Å
283	R	90.9	Very high	87.8	Confident	11 Å²	11	72.5 Å²	72.5	4%	0.042	36%	0.361	C	S	.	.	H	α-helix	trans	-63.6	-40.2	176.2	-172	163.6	77.5	163.8	26.3	112	E246 M247 E266 Y267 S268 I269 K279 K285 E286 M287	E246-R283 VanDerWaalsContact CD-NH1 3.3Å; E246-R283 IonicContact OE1-CZ 2.81Å; E246-R283 IonicContact OE1-NH1 3.67Å; E246-R283 PolarHBondContact OE1-NH1 3.31Å; E246-R283 IonicContact OE1-NH2 3.68Å; E246-R283 PolarHBondContact OE1-NH2 3.02Å; E246-R283 IonicContact OE2-CZ 3.79Å; E246-R283 VanDerWaalsContact OE2-CZ 3.31Å; E246-R283 IonicContact OE2-NH1 3.36Å; E246-R283 PolarHBondContact OE2-NH1 2.76Å; E246-R283 IonicContact OE2-NH2 3.4Å; M247-R283 HydrophobicContact CG-CG 4.47Å; E266-R283 PolarHBondContact O-NH2 2.94Å; E266-R283 IonicContact OE2-NH2 2.68Å; Y267-R283 VanDerWaalsContact C-CZ 3.41Å; Y267-R283 PolarHBondContact O-NE 3.44Å; Y267-R283 PolarHBondContact O-NH2 3.38Å; S268-R283 PolarHBondContact O-NH1 2.93Å; S268-R283 PolarHBondContact O-NH2 2.81Å; I269-R283 HydrophobicContact CD1-CB 3.94Å; I269-R283 HydrophobicContact CG1-CB 4.32Å; K279-R283 PolarHBondContact O-N 2.8Å; R283-K285 VanDerWaalsContact C-N 3.32Å; R283-K285 PolarHBondContact O-N 3.05Å; R283-E286 PolarHBondContact O-N 3.44Å; R283-M287 HydrophobicContact CG-CE 4.28Å; R283-M287 HydrophobicContact CG-SD 4.46Å; R283-M287 WeakPolarHBondContact O-CB 3.25Å; R283-M287 WeakPolarHBondContact O-CG 3.26Å; R283-M287 PolarHBondContact O-N 2.67Å
284	L	93.5	Very high	89.6	Confident	12 Å²	12	72.6 Å²	72.6	6%	0.063	35%	0.35	C	S	.	.	H	α-helix	trans	-59.9	-43.6	174.6	177.2	61.4	0	0	0	111.7	Y267 T280 Q281 D282 R288 L308	Y267-L284 HydrophobicContact CD1-CD1 3.91Å; Y267-L284 HydrophobicContact CD2-CB 3.78Å; Y267-L284 HydrophobicContact CD2-CD1 3.99Å; Y267-L284 HydrophobicContact CD2-CD2 4.38Å; Y267-L284 HydrophobicContact CD2-CG 4.26Å; Y267-L284 HydrophobicContact CE1-CD1 4.09Å; Y267-L284 HydrophobicContact CE2-CB 4.3Å; Y267-L284 HydrophobicContact CE2-CD1 4.21Å; Y267-L284 HydrophobicContact CE2-CD2 4.07Å; Y267-L284 HydrophobicContact CE2-CG 4.43Å; Y267-L284 HydrophobicContact CG-CB 4.22Å; Y267-L284 HydrophobicContact CG-CD1 3.86Å; T280-L284 VanDerWaalsContact O-CB 3.27Å; T280-L284 WeakPolarHBondContact O-CB 3.31Å; T280-L284 PolarHBondContact O-N 3.17Å; Q281-L284 PolarHBondContact O-N 3.29Å; D282-L284 VanDerWaalsContact C-N 3.35Å; D282-L284 PolarHBondContact O-N 3.3Å; L284-R288 WeakPolarHBondContact O-CG 3.38Å; L284-R288 PolarHBondContact O-N 2.64Å; L284-R288 VanDerWaalsContact O-N 3.12Å; L284-L308 HydrophobicContact CD1-CD1 3.58Å; L284-L308 HydrophobicContact CD1-CD2 3.92Å; L284-L308 HydrophobicContact CD1-CG 3.87Å
285	K	95.1	Very high	91.1	Very high	124 Å²	124	66.5 Å²	66.5	54%	0.539	33%	0.326	S	S	.	.	H	α-helix	trans	-65.4	-47.2	176.6	-174.7	-175.8	178.8	-61.8	0	111	Q281 D282 R283 M287 R288 D289	Q281-K285 WeakPolarHBondContact O-CB 3.13Å; Q281-K285 PolarHBondContact O-N 3.31Å; D282-K285 PolarHBondContact O-N 2.72Å; R283-K285 VanDerWaalsContact C-N 3.32Å; R283-K285 PolarHBondContact O-N 3.05Å; K285-M287 PolarHBondContact O-N 2.93Å; K285-R288 PolarHBondContact O-N 3.29Å; K285-D289 IonicContact NZ-OD2 2.64Å; K285-D289 PolarHBondContact NZ-OD2 2.8Å; K285-D289 WeakPolarHBondContact O-CB 3.37Å; K285-D289 VanDerWaalsContact O-CG 3.26Å; K285-D289 PolarHBondContact O-N 3.43Å
286	E	95.8	Very high	92.4	Very high	81 Å²	81	66.1 Å²	66.1	38%	0.379	33%	0.333	S	S	.	.	H	α-helix	trans	-58.4	-47.2	178.5	-170.5	-169.4	176.9	0	0	111.7	M247 K251 D282 R283 R288 D289 F290	M247-E286 HydrophobicContact CE-CG 3.82Å; M247-E286 HydrophobicContact SD-CG 4.42Å; K251-E286 IonicContact NZ-OE1 3.29Å; K251-E286 PolarHBondContact NZ-OE1 2.7Å; D282-E286 WeakPolarHBondContact O-CB 3.29Å; D282-E286 PolarHBondContact O-N 3.3Å; R283-E286 PolarHBondContact O-N 3.44Å; E286-R288 PolarHBondContact O-N 3.27Å; E286-D289 PolarHBondContact O-N 3.41Å; E286-F290 WeakPolarHBondContact O-CB 3.27Å; E286-F290 PolarHBondContact O-N 3.37Å
287	M	95.9	Very high	93.1	Very high	0 Å²	0	68.4 Å²	68.4	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-57.4	-48.8	176	-81	-176.8	169.4	0	0	111.3	E246 M247 M265 E266 R283 K285 F290 M291 L308	E246-M287 HydrophobicContact CB-CE 3.44Å; E246-M287 VanDerWaalsContact CB-CE 3.44Å; E246-M287 HydrophobicContact CG-CE 4.2Å; M247-M287 HydrophobicContact CG-CE 4.42Å; M247-M287 HydrophobicContact CG-CG 4.41Å; M247-M287 HydrophobicContact SD-CB 4.15Å; M247-M287 HydrophobicContact SD-CE 4.03Å; M247-M287 HydrophobicContact SD-CG 3.19Å; M247-M287 WeakPolarHBondContact SD-CG 3.15Å; M247-M287 HydrophobicContact SD-SD 4.5Å; M265-M287 HydrophobicContact CB-CE 4.48Å; E266-M287 WeakPolarHBondContact O-CE 3.3Å; R283-M287 HydrophobicContact CG-CE 4.28Å; R283-M287 HydrophobicContact CG-SD 4.46Å; R283-M287 WeakPolarHBondContact O-CB 3.25Å; R283-M287 WeakPolarHBondContact O-CG 3.26Å; R283-M287 PolarHBondContact O-N 2.67Å; K285-M287 PolarHBondContact O-N 2.93Å; M287-F290 PolarHBondContact O-N 3.33Å; M287-M291 WeakPolarHBondContact O-CB 3.23Å; M287-M291 WeakPolarHBondContact O-CG 3.26Å; M287-M291 PolarHBondContact O-N 3.17Å; M287-L308 HydrophobicContact CB-CD1 4.05Å; M287-L308 HydrophobicContact SD-CD1 4.37Å
288	R	96.4	Very high	93.6	Very high	86 Å²	86	60.2 Å²	60.2	33%	0.325	31%	0.312	S	S	.	.	H	α-helix	trans	-63.2	-44.6	-179.9	-79.7	178.2	167.4	145.6	1	112.7	L284 K285 E286 F290 M291 A292 E300 L308	L284-R288 WeakPolarHBondContact O-CG 3.38Å; L284-R288 PolarHBondContact O-N 2.64Å; L284-R288 VanDerWaalsContact O-N 3.12Å; K285-R288 PolarHBondContact O-N 3.29Å; E286-R288 PolarHBondContact O-N 3.27Å; R288-F290 VanDerWaalsContact C-N 3.35Å; R288-M291 PolarHBondContact O-N 2.8Å; R288-A292 WeakPolarHBondContact O-CB 3.39Å; R288-A292 PolarHBondContact O-N 3.32Å; R288-E300 IonicContact CZ-OE1 3.64Å; R288-E300 IonicContact CZ-OE2 2.68Å; R288-E300 IonicContact NE-OE1 2.87Å; R288-E300 IonicContact NE-OE2 3.34Å; R288-E300 PolarHBondContact NE-OE2 3.32Å; R288-E300 IonicContact NH2-OE1 3.53Å; R288-E300 PolarHBondContact NH2-OE1 2.86Å; R288-E300 IonicContact NH2-OE2 3.2Å; R288-L308 HydrophobicContact CG-CD1 4.35Å
289	D	97.1	Very high	94.1	Very high	76 Å²	76	61 Å²	61	41%	0.406	31%	0.31	S	S	.	.	H	α-helix	trans	-61.9	-46.1	178.1	-69.9	-15.4	0	0	0	110	K285 E286 M291 A292 T293	K285-D289 IonicContact NZ-OD2 2.64Å; K285-D289 PolarHBondContact NZ-OD2 2.8Å; K285-D289 WeakPolarHBondContact O-CB 3.37Å; K285-D289 VanDerWaalsContact O-CG 3.26Å; K285-D289 PolarHBondContact O-N 3.43Å; E286-D289 PolarHBondContact O-N 3.41Å; D289-M291 PolarHBondContact O-N 3.45Å; D289-A292 PolarHBondContact O-N 3.31Å; D289-T293 WeakPolarHBondContact O-CB 3.29Å; D289-T293 PolarHBondContact O-N 3.4Å; D289-T293 PolarHBondContact O-OG1 3.48Å; D289-T293 VanDerWaalsContact O-OG1 3.13Å
290	F	96.7	Very high	94.6	Very high	30 Å²	30	59.5 Å²	59.5	13%	0.132	30%	0.304	C	S	.	.	H	α-helix	trans	-59.2	-48.4	176.4	-179.7	-92.2	0	0	0	111.9	M247 L250 K251 E286 M287 R288 A292 T293 N294 L295	M247-F290 HydrophobicContact CE-CB 4Å; M247-F290 HydrophobicContact CE-CG 4.25Å; L250-F290 HydrophobicContact CD1-CE1 4.26Å; L250-F290 HydrophobicContact CD2-CD1 3.74Å; L250-F290 HydrophobicContact CD2-CE1 4.14Å; L250-F290 HydrophobicContact CG-CD1 3.83Å; L250-F290 HydrophobicContact CG-CE1 3.69Å; K251-F290 HydrophobicContact CB-CE2 4.31Å; K251-F290 HydrophobicContact CB-CZ 4.44Å; K251-F290 HydrophobicContact CG-CD2 3.9Å; K251-F290 HydrophobicContact CG-CE2 3.58Å; K251-F290 HydrophobicContact CG-CZ 4.04Å; E286-F290 WeakPolarHBondContact O-CB 3.27Å; E286-F290 PolarHBondContact O-N 3.37Å; M287-F290 PolarHBondContact O-N 3.33Å; R288-F290 VanDerWaalsContact C-N 3.35Å; F290-A292 PolarHBondContact O-N 2.88Å; F290-T293 PolarHBondContact O-N 3.27Å; F290-N294 HydrophobicContact CD2-CB 4.35Å; F290-N294 WeakPolarHBondContact CD2-ND2 3.22Å; F290-N294 HydrophobicContact CE1-CB 4.26Å; F290-N294 HydrophobicContact CE2-CB 3.94Å; F290-N294 WeakPolarHBondContact CE2-ND2 3.39Å; F290-N294 HydrophobicContact CZ-CB 3.9Å; F290-N294 WeakPolarHBondContact O-CB 3.05Å; F290-N294 PolarHBondContact O-N 2.91Å; F290-N294 PolarHBondContact O-ND2 3.45Å; F290-L295 HydrophobicContact CE1-CD1 3.96Å
291	M	96.4	Very high	94.8	Very high	2 Å²	2	64.8 Å²	64.8	1%	0.01	33%	0.325	C	S	.	.	H	α-helix	trans	-62	-43.6	180	-71.5	-60.2	-68.6	0	0	111.7	L250 M263 M265 M287 R288 D289 L295 Y298 Y310	L250-M291 HydrophobicContact CD1-SD 4.14Å; L250-M291 HydrophobicContact CD2-SD 4.19Å; M263-M291 HydrophobicContact CE-CE 3.73Å; M265-M291 HydrophobicContact CE-CE 4.34Å; M265-M291 HydrophobicContact CE-CG 4.28Å; M265-M291 HydrophobicContact CE-SD 4.05Å; M287-M291 WeakPolarHBondContact O-CB 3.23Å; M287-M291 WeakPolarHBondContact O-CG 3.26Å; M287-M291 PolarHBondContact O-N 3.17Å; R288-M291 PolarHBondContact O-N 2.8Å; D289-M291 PolarHBondContact O-N 3.45Å; M291-L295 HydrophobicContact CE-CB 4.09Å; M291-L295 HydrophobicContact CE-CD1 3.92Å; M291-L295 CarbonylContact O-C 3.56Å; M291-L295 VanDerWaalsContact O-CA 3.27Å; M291-L295 WeakPolarHBondContact O-CA 3.12Å; M291-L295 WeakPolarHBondContact O-CB 3.42Å; M291-L295 PolarHBondContact O-N 3.39Å; M291-L295 HydrophobicContact SD-CB 4.17Å; M291-L295 HydrophobicContact SD-CD1 3.46Å; M291-L295 WeakPolarHBondContact SD-CD1 3.49Å; M291-L295 HydrophobicContact SD-CG 4.43Å; M291-Y298 HydrophobicContact CE-CD2 4.45Å; M291-Y298 HydrophobicContact CE-CG 4.13Å; M291-Y310 HydrophobicContact CB-CD1 4.4Å; M291-Y310 HydrophobicContact CB-CE1 3.65Å; M291-Y310 HydrophobicContact CB-CE2 4.35Å; M291-Y310 HydrophobicContact CE-CD1 3.46Å; M291-Y310 VanDerWaalsContact CE-CD1 3.46Å; M291-Y310 HydrophobicContact CE-CD2 3.92Å; M291-Y310 HydrophobicContact CE-CE1 3.91Å; M291-Y310 HydrophobicContact CE-CE2 4.32Å; M291-Y310 HydrophobicContact CE-CG 3.46Å; M291-Y310 VanDerWaalsContact CE-CG 3.46Å; M291-Y310 HydrophobicContact CG-CD1 4.43Å; M291-Y310 HydrophobicContact CG-CD2 4.33Å; M291-Y310 HydrophobicContact CG-CE1 3.94Å; M291-Y310 HydrophobicContact CG-CE2 3.82Å
292	A	95.8	Very high	94.6	Very high	73 Å²	73	65.3 Å²	65.3	60%	0.603	32%	0.322	S	S	*	.	H	α-helix	trans	-66.3	-39.7	179.7	0	0	0	0	0	112.4	R288 D289 F290	R288-A292 WeakPolarHBondContact O-CB 3.39Å; R288-A292 PolarHBondContact O-N 3.32Å; D289-A292 PolarHBondContact O-N 3.31Å; F290-A292 PolarHBondContact O-N 2.88Å
293	T	96	Very high	94.2	Very high	109 Å²	109	63 Å²	63	67%	0.669	31%	0.314	S	S	*	.	H	α-helix	trans	-81.2	-44.8	-176.3	-61.6	0	0	0	0	113.1	D289 F290	D289-T293 WeakPolarHBondContact O-CB 3.29Å; D289-T293 PolarHBondContact O-N 3.4Å; D289-T293 PolarHBondContact O-OG1 3.48Å; D289-T293 VanDerWaalsContact O-OG1 3.13Å; F290-T293 PolarHBondContact O-N 3.27Å
294	N	95	Very high	94	Very high	88 Å²	88	63.3 Å²	63.3	47%	0.471	32%	0.316	S	S	.	.	H	α-helix	trans	-102.8	-19.2	-168.9	-57.6	-83.2	0	0	0	112.9	F290	F290-N294 HydrophobicContact CD2-CB 4.35Å; F290-N294 WeakPolarHBondContact CD2-ND2 3.22Å; F290-N294 HydrophobicContact CE1-CB 4.26Å; F290-N294 HydrophobicContact CE2-CB 3.94Å; F290-N294 WeakPolarHBondContact CE2-ND2 3.39Å; F290-N294 HydrophobicContact CZ-CB 3.9Å; F290-N294 WeakPolarHBondContact O-CB 3.05Å; F290-N294 PolarHBondContact O-N 2.91Å; F290-N294 PolarHBondContact O-ND2 3.45Å
295	L	95.1	Very high	93.5	Very high	2 Å²	2	65.5 Å²	65.5	1%	0.01	34%	0.335	C	S	.	.			trans	-129.2	49.7	-174.3	-75.9	175.9	0	0	0	111.9	L250 L255 M263 F290 M291 Q297 Y298	L250-L295 HydrophobicContact CD1-CD1 4.3Å; L255-L295 HydrophobicContact CD1-CD1 4.13Å; L255-L295 HydrophobicContact CD1-CD2 3.29Å; L255-L295 HydrophobicContact CD1-CG 3.99Å; L255-L295 HydrophobicContact CD2-CD2 3.99Å; L255-L295 HydrophobicContact CG-CD2 4.14Å; M263-L295 HydrophobicContact CE-CD1 4.31Å; F290-L295 HydrophobicContact CE1-CD1 3.96Å; M291-L295 HydrophobicContact CE-CB 4.09Å; M291-L295 HydrophobicContact CE-CD1 3.92Å; M291-L295 CarbonylContact O-C 3.56Å; M291-L295 VanDerWaalsContact O-CA 3.27Å; M291-L295 WeakPolarHBondContact O-CA 3.12Å; M291-L295 WeakPolarHBondContact O-CB 3.42Å; M291-L295 PolarHBondContact O-N 3.39Å; M291-L295 HydrophobicContact SD-CB 4.17Å; M291-L295 HydrophobicContact SD-CD1 3.46Å; M291-L295 WeakPolarHBondContact SD-CD1 3.49Å; M291-L295 HydrophobicContact SD-CG 4.43Å; L295-Q297 VanDerWaalsContact CA-OE1 3.32Å; L295-Q297 PolarHBondContact O-N 2.98Å; L295-Y298 HydrophobicContact CB-CD2 3.89Å; L295-Y298 HydrophobicContact CD2-CD2 3.98Å; L295-Y298 HydrophobicContact CD2-CE2 3.79Å; L295-Y298 HydrophobicContact CG-CD2 4.4Å; L295-Y298 PolarHBondContact O-N 3.11Å
296	P	94.8	Very high	93.2	Very high	69 Å²	69	62.1 Å²	62.1	45%	0.448	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-19	-173.2	29.3	-37.3	0	0	0	112.5	Y298 R313	P296-Y298 PolarHBondContact O-N 2.87Å; P296-R313 PolarHBondContact O-NH1 3.34Å; P296-R313 PolarHBondContact O-NH2 3.3Å
297	Q	94.1	Very high	93	Very high	73 Å²	73	58.6 Å²	58.6	34%	0.341	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-9.3	174.8	73.3	-81.5	29.3	0	0	114	L295 R313	L295-Q297 VanDerWaalsContact CA-OE1 3.32Å; L295-Q297 PolarHBondContact O-N 2.98Å; Q297-R313 WeakPolarHBondContact O-CB 3.38Å; Q297-R313 WeakPolarHBondContact O-CG 3.21Å; Q297-R313 PolarHBondContact O-N 3.03Å
298	Y	96.1	Very high	93	Very high	9 Å²	9	58.6 Å²	58.6	4%	0.035	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	151.1	175.8	-67	-92.6	0	0	0	111.5	I260 M263 M291 L295 P296 V311 K312 R313	I260-Y298 VanDerWaalsContact O-CE1 3.27Å; I260-Y298 WeakPolarHBondContact O-CE1 3.5Å; I260-Y298 PolarHBondContact O-OH 2.86Å; M263-Y298 HydrophobicContact CE-CD1 3.45Å; M263-Y298 VanDerWaalsContact CE-CD1 3.45Å; M263-Y298 HydrophobicContact CE-CD2 3.85Å; M263-Y298 HydrophobicContact CE-CE1 3.23Å; M263-Y298 HydrophobicContact CE-CE2 3.64Å; M263-Y298 HydrophobicContact CE-CG 3.76Å; M291-Y298 HydrophobicContact CE-CD2 4.45Å; M291-Y298 HydrophobicContact CE-CG 4.13Å; L295-Y298 HydrophobicContact CB-CD2 3.89Å; L295-Y298 HydrophobicContact CD2-CD2 3.98Å; L295-Y298 HydrophobicContact CD2-CE2 3.79Å; L295-Y298 HydrophobicContact CG-CD2 4.4Å; L295-Y298 PolarHBondContact O-N 3.11Å; P296-Y298 PolarHBondContact O-N 2.87Å; Y298-V311 CarbonylContact C-O 3.4Å; Y298-V311 WeakPolarHBondContact CA-O 3.4Å; Y298-K312 HydrophobicContact CD1-CB 3.92Å; Y298-K312 HydrophobicContact CE1-CB 3.57Å; Y298-K312 HydrophobicContact CE1-CG 4.18Å; Y298-R313 PolarHBondContact O-NH2 3.33Å
299	K	95.7	Very high	93	Very high	139 Å²	139	54.5 Å²	54.5	60%	0.604	29%	0.291	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.4	131.8	173.1	-174.7	179.8	177.2	-178.9	0	109.3	Y301 Y310 V311 R313	K299-Y301 PolarHBondContact O-N 3.27Å; K299-Y310 WeakPolarHBondContact O-CA 3.27Å; K299-V311 PolarHBondContact N-O 3.47Å; K299-V311 PolarHBondContact O-N 2.94Å; K299-R313 HydrophobicContact CB-CG 4.46Å
300	E	95.2	Very high	92.9	Very high	55 Å²	55	51.5 Å²	51.5	26%	0.257	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	118.2	168.8	-172.3	179.4	147.1	0	0	107.9	R288 L308 Y310	R288-E300 IonicContact CZ-OE1 3.64Å; R288-E300 IonicContact CZ-OE2 2.68Å; R288-E300 IonicContact NE-OE1 2.87Å; R288-E300 IonicContact NE-OE2 3.34Å; R288-E300 PolarHBondContact NE-OE2 3.32Å; R288-E300 IonicContact NH2-OE1 3.53Å; R288-E300 PolarHBondContact NH2-OE1 2.86Å; R288-E300 IonicContact NH2-OE2 3.2Å; E300-L308 HydrophobicContact CG-CD2 4.22Å; E300-Y310 HydrophobicContact CB-CD1 4.24Å; E300-Y310 HydrophobicContact CB-CE1 3.78Å; E300-Y310 HydrophobicContact CB-CE2 4.49Å; E300-Y310 HydrophobicContact CG-CE2 4.48Å
301	Y	92.6	Very high	92.9	Very high	111 Å²	111	51.1 Å²	51.1	44%	0.435	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	-57.9	177.8	176.7	-112.1	0	0	0	110.1	V110 L114 K299 I309	V110-Y301 HydrophobicContact CG1-CD1 4.21Å; V110-Y301 HydrophobicContact CG1-CE1 3.6Å; L114-Y301 HydrophobicContact CD1-CD1 4.12Å; L114-Y301 HydrophobicContact CD1-CE1 4.4Å; L114-Y301 HydrophobicContact CD1-CG 4.36Å; L114-Y301 HydrophobicContact CD2-CD1 4.35Å; L114-Y301 HydrophobicContact CD2-CD2 3.94Å; L114-Y301 HydrophobicContact CD2-CE1 4.17Å; L114-Y301 HydrophobicContact CD2-CE2 3.73Å; L114-Y301 HydrophobicContact CD2-CG 4.25Å; L114-Y301 HydrophobicContact CG-CE1 4.42Å; K299-Y301 PolarHBondContact O-N 3.27Å; Y301-I309 HydrophobicContact CD1-CG2 4.48Å; Y301-I309 PolarHBondContact N-O 2.84Å
302	R	85.8	Confident	92.9	Very high	114 Å²	114	54 Å²	54	43%	0.43	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-172	155.7	167.5	64	-165	-172.3	125.9	-6.6	110.6	I304 I309	R302-I304 HydrophobicContact CG-CG1 4.07Å; R302-I309 PolarHBondContact O-N 2.93Å
303	P	83.5	Confident	92.7	Very high	60 Å²	60	56.8 Å²	56.8	39%	0.39	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	144.4	163.4	29.9	-32.8	0	0	0	110.7	D307 L308	P303-D307 CarbonylContact C-O 3.54Å; P303-D307 VanDerWaalsContact CA-O 3.29Å; P303-D307 WeakPolarHBondContact CA-O 3.45Å; P303-L308 HydrophobicContact CB-CD2 4.35Å
304	I	86.4	Confident	92.2	Very high	17 Å²	17	59 Å²	59	9%	0.087	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	112.5	171.3	-55.3	177.6	0	0	0	107.9	Q107 V110 R302 L306 D307 I309	Q107-I304 HydrophobicContact CG-CB 4.37Å; Q107-I304 HydrophobicContact CG-CG2 4.06Å; V110-I304 HydrophobicContact CB-CD1 3.61Å; V110-I304 HydrophobicContact CG1-CD1 3.69Å; V110-I304 HydrophobicContact CG2-CD1 3.65Å; R302-I304 HydrophobicContact CG-CG1 4.07Å; I304-L306 PolarHBondContact O-N 3.29Å; I304-D307 PolarHBondContact N-O 2.85Å; I304-D307 PolarHBondContact O-N 2.92Å; I304-I309 HydrophobicContact CD1-CD1 3.43Å; I304-I309 VanDerWaalsContact CD1-CD1 3.43Å; I304-I309 HydrophobicContact CG1-CD1 4.2Å
305	A	84.8	Confident	91.6	Very high	57 Å²	57	56.8 Å²	56.8	47%	0.471	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.3	-96.7	-175	0	0	0	0	0	112.7	K105 Y267	K105-A305 HydrophobicContact CB-CB 3.76Å; K105-A305 HydrophobicContact CD-CB 4.29Å; K105-A305 HydrophobicContact CG-CB 3.58Å; Y267-A305 PolarHBondContact OH-O 3.48Å
306	L	87.6	Confident	90.8	Very high	54 Å²	54	59.2 Å²	59.2	28%	0.283	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.8	13	-178.3	-61	169.5	0	0	0	112.5	Y267 S268 W275 I304	Y267-L306 VanDerWaalsContact CD1-C 3.48Å; Y267-L306 WeakPolarHBondContact CD1-O 3.25Å; Y267-L306 VanDerWaalsContact CE1-O 3.22Å; Y267-L306 WeakPolarHBondContact CE1-O 3.26Å; Y267-L306 HydrophobicContact CE2-CD2 4.43Å; Y267-L306 PolarHBondContact N-O 3.18Å; S268-L306 WeakPolarHBondContact OG-CB 3.36Å; S268-L306 VanDerWaalsContact OG-CD1 3.28Å; S268-L306 WeakPolarHBondContact OG-CD1 3.39Å; W275-L306 HydrophobicContact CZ2-CD2 3.83Å; I304-L306 PolarHBondContact O-N 3.29Å
307	D	92.7	Very high	89	Confident	7 Å²	7	65.1 Å²	65.1	4%	0.037	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	141.8	178.6	-58.5	-109.8	0	0	0	111.1	Q107 Q264 M265 P303 I304	Q107-D307 PolarHBondContact NE2-OD2 3.32Å; Q264-D307 HydrophobicContact CG-CB 3.91Å; Q264-D307 WeakPolarHBondContact CG-OD1 3.4Å; Q264-D307 PolarHBondContact NE2-OD1 3.41Å; M265-D307 CarbonylContact O-C 3.55Å; M265-D307 WeakPolarHBondContact O-CA 3.27Å; P303-D307 CarbonylContact C-O 3.54Å; P303-D307 VanDerWaalsContact CA-O 3.29Å; P303-D307 WeakPolarHBondContact CA-O 3.45Å; I304-D307 PolarHBondContact N-O 2.85Å; I304-D307 PolarHBondContact O-N 2.92Å
308	L	95	Very high	88.7	Confident	0 Å²	0	64.8 Å²	64.8	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	131.1	163	-77	171.4	0	0	0	109.8	Q264 M265 Y267 L284 M287 R288 E300 P303 Y310	Q264-L308 CarbonylContact C-O 3.57Å; Q264-L308 WeakPolarHBondContact CA-O 3.31Å; M265-L308 PolarHBondContact N-O 3.04Å; M265-L308 PolarHBondContact O-N 2.99Å; Y267-L308 HydrophobicContact CD1-CD1 4.41Å; Y267-L308 HydrophobicContact CD1-CG 3.87Å; Y267-L308 HydrophobicContact CE1-CG 4.29Å; L284-L308 HydrophobicContact CD1-CD1 3.58Å; L284-L308 HydrophobicContact CD1-CD2 3.92Å; L284-L308 HydrophobicContact CD1-CG 3.87Å; M287-L308 HydrophobicContact CB-CD1 4.05Å; M287-L308 HydrophobicContact SD-CD1 4.37Å; R288-L308 HydrophobicContact CG-CD1 4.35Å; E300-L308 HydrophobicContact CG-CD2 4.22Å; P303-L308 HydrophobicContact CB-CD2 4.35Å; L308-Y310 HydrophobicContact CB-CD2 4.31Å; L308-Y310 HydrophobicContact CB-CE2 3.99Å; L308-Y310 HydrophobicContact CD1-CE2 4.16Å
309	I	95.8	Very high	88.3	Confident	0 Å²	0	67.7 Å²	67.7	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	123.2	171.7	-61.4	178.7	0	0	0	109.7	V110 V111 L114 V262 M263 Q264 Y301 R302 I304 V311	V110-I309 HydrophobicContact CG1-CD1 4.36Å; V111-I309 HydrophobicContact CG2-CD1 3.85Å; L114-I309 HydrophobicContact CD1-CG2 4.1Å; V262-I309 HydrophobicContact CG1-CG2 3.92Å; M263-I309 CarbonylContact O-C 3.56Å; M263-I309 VanDerWaalsContact O-CA 3.29Å; M263-I309 WeakPolarHBondContact O-CA 3.46Å; Q264-I309 HydrophobicContact CB-CG1 4.39Å; Q264-I309 HydrophobicContact CG-CG1 4.39Å; Y301-I309 HydrophobicContact CD1-CG2 4.48Å; Y301-I309 PolarHBondContact N-O 2.84Å; R302-I309 PolarHBondContact O-N 2.93Å; I304-I309 HydrophobicContact CD1-CD1 3.43Å; I304-I309 VanDerWaalsContact CD1-CD1 3.43Å; I304-I309 HydrophobicContact CG1-CD1 4.2Å; I309-V311 HydrophobicContact CG2-CG2 4.43Å
310	Y	96.5	Very high	87.9	Confident	13 Å²	13	63.7 Å²	63.7	5%	0.051	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	142	171.9	-78.4	-97.1	0	0	0	110.9	V262 M263 M265 M291 K299 E300 L308	V262-Y310 CarbonylContact C-O 3.6Å; V262-Y310 WeakPolarHBondContact CA-O 3.27Å; M263-Y310 PolarHBondContact N-O 2.98Å; M263-Y310 PolarHBondContact O-N 3.39Å; M265-Y310 HydrophobicContact CE-CD2 3.49Å; M265-Y310 VanDerWaalsContact CE-CD2 3.49Å; M265-Y310 HydrophobicContact CE-CE2 3.85Å; M265-Y310 HydrophobicContact CE-CG 4.41Å; M291-Y310 HydrophobicContact CB-CD1 4.4Å; M291-Y310 HydrophobicContact CB-CE1 3.65Å; M291-Y310 HydrophobicContact CB-CE2 4.35Å; M291-Y310 HydrophobicContact CE-CD1 3.46Å; M291-Y310 VanDerWaalsContact CE-CD1 3.46Å; M291-Y310 HydrophobicContact CE-CD2 3.92Å; M291-Y310 HydrophobicContact CE-CE1 3.91Å; M291-Y310 HydrophobicContact CE-CE2 4.32Å; M291-Y310 HydrophobicContact CE-CG 3.46Å; M291-Y310 VanDerWaalsContact CE-CG 3.46Å; M291-Y310 HydrophobicContact CG-CD1 4.43Å; M291-Y310 HydrophobicContact CG-CD2 4.33Å; M291-Y310 HydrophobicContact CG-CE1 3.94Å; M291-Y310 HydrophobicContact CG-CE2 3.82Å; K299-Y310 WeakPolarHBondContact O-CA 3.27Å; E300-Y310 HydrophobicContact CB-CD1 4.24Å; E300-Y310 HydrophobicContact CB-CE1 3.78Å; E300-Y310 HydrophobicContact CB-CE2 4.49Å; E300-Y310 HydrophobicContact CG-CE2 4.48Å; L308-Y310 HydrophobicContact CB-CD2 4.31Å; L308-Y310 HydrophobicContact CB-CE2 3.99Å; L308-Y310 HydrophobicContact CD1-CE2 4.16Å
311	V	96.8	Very high	87.5	Confident	22 Å²	22	64.2 Å²	64.2	13%	0.133	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	131.2	179.4	-178.5	0	0	0	0	108.4	L114 V262 Y298 K299 I309 R313 L316	L114-V311 HydrophobicContact CD1-CG2 3.8Å; L114-V311 HydrophobicContact CD2-CG2 4.39Å; V262-V311 HydrophobicContact CG2-CG2 4.3Å; Y298-V311 CarbonylContact C-O 3.4Å; Y298-V311 WeakPolarHBondContact CA-O 3.4Å; K299-V311 PolarHBondContact N-O 3.47Å; K299-V311 PolarHBondContact O-N 2.94Å; I309-V311 HydrophobicContact CG2-CG2 4.43Å; V311-R313 PolarHBondContact O-N 3.04Å; V311-L316 HydrophobicContact CG1-CD1 3.58Å; V311-L316 HydrophobicContact CG1-CG 4.17Å
312	K	95.8	Very high	87.2	Confident	61 Å²	61	61.3 Å²	61.3	27%	0.265	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	129.7	172.9	-169.9	177.3	-178.6	-177.1	0	108.6	D259 T261 Y298 D314 S315	D259-K312 WeakPolarHBondContact OD1-CD 3.35Å; D259-K312 IonicContact OD1-NZ 3.68Å; D259-K312 PolarHBondContact OD1-NZ 2.74Å; D259-K312 IonicContact OD2-NZ 2.75Å; D259-K312 PolarHBondContact OD2-NZ 2.96Å; T261-K312 PolarHBondContact O-N 2.86Å; Y298-K312 HydrophobicContact CD1-CB 3.92Å; Y298-K312 HydrophobicContact CE1-CB 3.57Å; Y298-K312 HydrophobicContact CE1-CG 4.18Å; K312-D314 PolarHBondContact O-N 3.5Å; K312-S315 WeakPolarHBondContact O-CB 3.41Å; K312-S315 PolarHBondContact O-N 3.46Å; K312-S315 PolarHBondContact O-OG 2.92Å
313	R	91.5	Very high	87.3	Confident	132 Å²	132	57.8 Å²	57.8	50%	0.498	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	143.6	179.5	-70.5	-177	-167.7	128.1	20.7	110.3	P296 Q297 Y298 K299 V311 S315	P296-R313 PolarHBondContact O-NH1 3.34Å; P296-R313 PolarHBondContact O-NH2 3.3Å; Q297-R313 WeakPolarHBondContact O-CB 3.38Å; Q297-R313 WeakPolarHBondContact O-CG 3.21Å; Q297-R313 PolarHBondContact O-N 3.03Å; Y298-R313 PolarHBondContact O-NH2 3.33Å; K299-R313 HydrophobicContact CB-CG 4.46Å; V311-R313 PolarHBondContact O-N 3.04Å; R313-S315 PolarHBondContact O-N 2.83Å
314	D	85.7	Confident	87.5	Confident	155 Å²	155	57.6 Å²	57.6	83%	0.829	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.1	10.1	176.3	-44	-43	0	0	0	115.5	K312	K312-D314 PolarHBondContact O-N 3.5Å
315	S	82.4	Confident	87.6	Confident	43 Å²	43	60.8 Å²	60.8	30%	0.301	33%	0.333	S	S	.	.	S	Bend	trans	-88.4	-17.7	-178.3	67.1	0	0	0	0	114.2	T261 K312 R313	T261-S315 WeakPolarHBondContact CG2-OG 3.29Å; K312-S315 WeakPolarHBondContact O-CB 3.41Å; K312-S315 PolarHBondContact O-N 3.46Å; K312-S315 PolarHBondContact O-OG 2.92Å; R313-S315 PolarHBondContact O-N 2.83Å
316	L	77.4	Confident	87.9	Confident	52 Å²	52	61.1 Å²	61.1	27%	0.272	32%	0.322	S	S	.	.			trans	-124.8	108.7	-179.9	-60.4	177.2	0	0	0	107.5	L114 F115 T261 V262 V311	L114-L316 HydrophobicContact CB-CD1 3.8Å; L114-L316 HydrophobicContact CD2-CD1 4.44Å; F115-L316 HydrophobicContact CD1-CD2 3.81Å; F115-L316 HydrophobicContact CE1-CD2 3.88Å; T261-L316 HydrophobicContact CG2-CD2 3.77Å; T261-L316 HydrophobicContact CG2-CG 4.08Å; V262-L316 HydrophobicContact CG2-CD1 3.98Å; V311-L316 HydrophobicContact CG1-CD1 3.58Å; V311-L316 HydrophobicContact CG1-CG 4.17Å
317	T	57.3	Low	87.9	Confident	194 Å²	194	61.7 Å²	61.7	100%	1.19	33%	0.325	S	S	*	.			trans	-115.6	0	177.2	41.1	0	0	0	0	110.7

Retrieved 317 of 317 residues in 1073.7 ms (Link to these results)

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