A0A087X1B2_HUMAN Loading...

Ubiquitin carboxyl-terminal hydrolase 39

AlphaFold DB , UniProt , Accession A0A087X1B2, Species HUMAN (Homo sapiens, Human), Gene USP39, Length 487 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	35.1	Very low	31.1	Very low	236 Å²	236	147.9 Å²	147.9	100%	1.163	84%	0.835	S	S	*	*				0	88.3	0	-72.9	177.1	178.1	0	0	106.4
2	L	34.6	Very low	31.3	Very low	165 Å²	165	142.9 Å²	142.9	86%	0.864	83%	0.826	S	S	*	*				58.3	103.1	88.9	-82	164.2	0	0	0	112.5
3	T	29.2	Very low	31.3	Very low	156 Å²	156	147.2 Å²	147.2	96%	0.957	83%	0.828	S	S	*	*				-160	138.4	126	32.6	0	0	0	0	109.6
4	A	31.8	Very low	31.6	Very low	91 Å²	91	147.9 Å²	147.9	75%	0.752	83%	0.829	S	S	*	*			trans	-111.6	156.9	-161.1	0	0	0	0	0	112.9
5	V	31.2	Very low	31.9	Very low	145 Å²	145	142.3 Å²	142.3	88%	0.879	82%	0.819	S	S	*	*			trans	-156.3	159.6	150	-130.9	0	0	0	0	108.6
6	P	32.3	Very low	32.3	Very low	102 Å²	102	148.2 Å²	148.2	66%	0.662	82%	0.823	S	S	*	*				-111.9	161	-110.8	29.2	-8.8	0	0	0	114.6	H8	P6-H8 PolarHBondContact O-N 3.2Å
7	S	31.4	Very low	33	Very low	104 Å²	104	144.8 Å²	144.8	73%	0.727	81%	0.807	S	S	*	*			trans	-61.6	111.5	171.6	50.4	0	0	0	0	112.9
8	H	30.1	Very low	33.9	Very low	171 Å²	171	143.2 Å²	143.2	79%	0.792	80%	0.797	S	S	*	*			trans	-89.3	106.2	156.9	-89	-73.5	0	0	0	109.4	P6 F10	P6-H8 PolarHBondContact O-N 3.2Å; H8-F10 PolarHBondContact O-N 3.31Å; H8-F10 VanDerWaalsContact O-N 3.11Å
9	L	29.1	Very low	35	Very low	154 Å²	154	139.5 Å²	139.5	81%	0.806	78%	0.782	S	S	*	*			trans	-54.5	108.9	161.4	-93.6	76.7	0	0	0	108.9	S11	L9-S11 VanDerWaalsContact C-N 3.28Å; L9-S11 PolarHBondContact O-N 3.09Å
10	F	30.3	Very low	35.8	Very low	207 Å²	207	139.5 Å²	139.5	91%	0.908	78%	0.775	S	S	*	*			trans	-73.1	93	154.6	-94.2	-88.6	0	0	0	107.6	H8 A12	H8-F10 PolarHBondContact O-N 3.31Å; H8-F10 VanDerWaalsContact O-N 3.11Å; F10-A12 PolarHBondContact O-N 3.3Å; F10-A12 VanDerWaalsContact O-N 3.17Å
11	S	27	Very low	36.8	Very low	96 Å²	96	135.8 Å²	135.8	67%	0.671	75%	0.754	S	S	*	*			trans	-57.4	114.7	166.8	-178.7	0	0	0	0	108.7	L9 K13	L9-S11 VanDerWaalsContact C-N 3.28Å; L9-S11 PolarHBondContact O-N 3.09Å; S11-K13 PolarHBondContact O-N 2.97Å
12	A	33	Very low	38	Very low	88 Å²	88	133.3 Å²	133.3	73%	0.727	73%	0.732	S	S	*	*			trans	-56.2	99.4	165	0	0	0	0	0	108.8	F10 N14	F10-A12 PolarHBondContact O-N 3.3Å; F10-A12 VanDerWaalsContact O-N 3.17Å; A12-N14 VanDerWaalsContact C-N 3.33Å; A12-N14 PolarHBondContact O-N 2.87Å; A12-N14 VanDerWaalsContact O-N 3.08Å
13	K	31.9	Very low	39.1	Very low	198 Å²	198	131.4 Å²	131.4	86%	0.861	71%	0.713	S	S	*	*			trans	-74.5	95.4	163.9	-84.9	-174.5	176.3	179.8	0	106.8	S11 G15	S11-K13 PolarHBondContact O-N 2.97Å; K13-G15 VanDerWaalsContact C-N 3.28Å; K13-G15 PolarHBondContact O-N 3.3Å
14	N	35.5	Very low	40.8	Very low	157 Å²	157	124.7 Å²	124.7	84%	0.84	67%	0.672	S	S	*	*			trans	-50.9	96.8	156.4	-85.7	-20.5	0	0	0	108.3	A12 R16	A12-N14 VanDerWaalsContact C-N 3.33Å; A12-N14 PolarHBondContact O-N 2.87Å; A12-N14 VanDerWaalsContact O-N 3.08Å; N14-R16 PolarHBondContact O-N 3.06Å; N14-R16 VanDerWaalsContact O-N 3.15Å
15	G	35.6	Very low	42.4	Very low	65 Å²	65	127.3 Å²	127.3	67%	0.67	66%	0.662	S	S	*	*			trans	-66.3	108.1	166.9	0	0	0	0	0	108	K13 V17	K13-G15 VanDerWaalsContact C-N 3.28Å; K13-G15 PolarHBondContact O-N 3.3Å; G15-V17 VanDerWaalsContact C-N 3.34Å; G15-V17 PolarHBondContact O-N 2.82Å
16	R	39.5	Very low	44.3	Very low	236 Å²	236	128.1 Å²	128.1	89%	0.891	66%	0.656	S	S	*	*			trans	-57.5	103	159.5	-76.8	177.6	174.5	169.2	-2.5	106.6	N14 D18	N14-R16 PolarHBondContact O-N 3.06Å; N14-R16 VanDerWaalsContact O-N 3.15Å; R16-D18 PolarHBondContact O-N 3.28Å
17	V	43.1	Very low	46.4	Very low	90 Å²	90	123.7 Å²	123.7	55%	0.545	63%	0.628	S	S	.	*			trans	-65.4	112.2	158.4	179.9	0	0	0	0	104.7	G15 S19 D21 R22	G15-V17 VanDerWaalsContact C-N 3.34Å; G15-V17 PolarHBondContact O-N 2.82Å; V17-S19 PolarHBondContact O-N 3.26Å; V17-D21 HydrophobicContact CG1-CB 4.5Å; V17-R22 HydrophobicContact CG1-CG 4.03Å
18	D	48.7	Very low	48.9	Very low	117 Å²	117	122.9 Å²	122.9	63%	0.626	62%	0.62	S	S	*	*			trans	-51.5	134.7	-179.4	-86.5	-39.7	0	0	0	110.3	R16 E20 D21 R22	R16-D18 PolarHBondContact O-N 3.28Å; D18-E20 PolarHBondContact O-N 2.89Å; D18-D21 PolarHBondContact O-N 2.83Å; D18-R22 PolarHBondContact O-N 2.71Å
19	S	55.6	Low	51.6	Low	73 Å²	73	118.3 Å²	118.3	51%	0.51	60%	0.597	S	S	.	*	H	α-helix	trans	-60	-18.3	-177.6	74.2	0	0	0	0	113.6	V17 R23	V17-S19 PolarHBondContact O-N 3.26Å; S19-R23 PolarHBondContact O-N 2.89Å; S19-R23 PolarHBondContact O-NE 3.2Å
20	E	52.1	Low	54.3	Low	138 Å²	138	112.6 Å²	112.6	65%	0.645	57%	0.566	S	S	*	*	H	α-helix	trans	-75.7	-42.6	173.5	-67.2	-173	159	0	0	111.9	D18 R22 R23 S24	D18-E20 PolarHBondContact O-N 2.89Å; E20-R22 VanDerWaalsContact C-N 3.27Å; E20-R22 PolarHBondContact O-N 3.32Å; E20-R23 PolarHBondContact O-N 3.44Å; E20-R23 VanDerWaalsContact O-N 3.11Å; E20-S24 PolarHBondContact O-N 3.36Å; E20-S24 PolarHBondContact O-OG 3.4Å
21	D	55.8	Low	56.9	Low	63 Å²	63	109.1 Å²	109.1	34%	0.337	56%	0.557	S	S	.	*	H	α-helix	trans	-65.8	-31.1	177.9	-165.8	7.4	0	0	0	111.3	V17 D18 R25	V17-D21 HydrophobicContact CG1-CB 4.5Å; D18-D21 PolarHBondContact O-N 2.83Å; D21-R25 WeakPolarHBondContact O-CG 3.17Å; D21-R25 PolarHBondContact O-N 2.96Å; D21-R25 IonicContact OD1-CZ 3.65Å; D21-R25 IonicContact OD1-NE 2.8Å; D21-R25 PolarHBondContact OD1-NE 3.18Å; D21-R25 IonicContact OD1-NH2 3.52Å; D21-R25 PolarHBondContact OD1-NH2 3.43Å; D21-R25 IonicContact OD2-NH2 2.72Å; D21-R25 PolarHBondContact OD2-NH2 3.34Å
22	R	59.4	Low	59.9	Low	184 Å²	184	106.9 Å²	106.9	69%	0.694	54%	0.54	S	S	*	.	H	α-helix	trans	-66.8	-42	170.5	-84.3	-175.5	163.4	-167.9	-4.4	113.2	V17 D18 E20 R25 H26	V17-R22 HydrophobicContact CG1-CG 4.03Å; D18-R22 PolarHBondContact O-N 2.71Å; E20-R22 VanDerWaalsContact C-N 3.27Å; E20-R22 PolarHBondContact O-N 3.32Å; R22-R25 PolarHBondContact O-N 2.89Å; R22-H26 PolarHBondContact O-N 3.01Å
23	R	59.2	Low	62.6	Low	125 Å²	125	103.4 Å²	103.4	47%	0.472	51%	0.509	S	S	.	.	H	α-helix	trans	-69.7	-37.1	178.3	-77.1	-177	-111.2	-174.3	-2.8	111.9	S19 E20 R25 H26 Y101	S19-R23 PolarHBondContact O-N 2.89Å; S19-R23 PolarHBondContact O-NE 3.2Å; E20-R23 PolarHBondContact O-N 3.44Å; E20-R23 VanDerWaalsContact O-N 3.11Å; R23-R25 PolarHBondContact O-N 3.22Å; R23-H26 CarbonylContact O-C 3.56Å; R23-H26 PolarHBondContact O-N 3.42Å; R23-Y101 HydrophobicContact CB-CD2 4.25Å; R23-Y101 HydrophobicContact CB-CE2 4.23Å; R23-Y101 HydrophobicContact CB-CG 4.42Å; R23-Y101 VanDerWaalsContact O-CE2 3.31Å; R23-Y101 WeakPolarHBondContact O-CE2 3.45Å
24	S	64.3	Low	65.3	Low	14 Å²	14	96.9 Å²	96.9	10%	0.098	48%	0.484	C	S	.	.	H	α-helix	trans	-58.1	-34.7	174.8	-72.8	0	0	0	0	113.3	E20 E102 I104	E20-S24 PolarHBondContact O-N 3.36Å; E20-S24 PolarHBondContact O-OG 3.4Å; S24-E102 WeakPolarHBondContact CA-O 3.42Å; S24-E102 WeakPolarHBondContact CB-O 3.31Å; S24-E102 PolarHBondContact OG-O 3.49Å; S24-I104 PolarHBondContact O-N 2.77Å
25	R	64.8	Low	67.8	Low	146 Å²	146	91.2 Å²	91.2	55%	0.551	45%	0.45	S	S	*	.	H	α-helix	trans	-94.5	-10.1	-177.8	-62.8	-179.3	-162.7	-156.2	4.9	114.9	D21 R22 R23	D21-R25 WeakPolarHBondContact O-CG 3.17Å; D21-R25 PolarHBondContact O-N 2.96Å; D21-R25 IonicContact OD1-CZ 3.65Å; D21-R25 IonicContact OD1-NE 2.8Å; D21-R25 PolarHBondContact OD1-NE 3.18Å; D21-R25 IonicContact OD1-NH2 3.52Å; D21-R25 PolarHBondContact OD1-NH2 3.43Å; D21-R25 IonicContact OD2-NH2 2.72Å; D21-R25 PolarHBondContact OD2-NH2 3.34Å; R22-R25 PolarHBondContact O-N 2.89Å; R23-R25 PolarHBondContact O-N 3.22Å
26	H	71.3	Confident	70.2	Confident	162 Å²	162	91.2 Å²	91.2	75%	0.75	44%	0.44	S	S	*	.			trans	-140.4	74.4	180	-90.1	52.4	0	0	0	109.1	R22 R23	R22-H26 PolarHBondContact O-N 3.01Å; R23-H26 CarbonylContact O-C 3.56Å; R23-H26 PolarHBondContact O-N 3.42Å
27	C	77.4	Confident	72.5	Confident	10 Å²	10	82.8 Å²	82.8	7%	0.068	41%	0.414	C	S	.	.			trans	-79.2	124.2	173.9	178.3	0	0	0	0	109.5	Y29 L30 Y101 I103	C27-Y29 PolarHBondContact O-N 3.34Å; C27-L30 HydrophobicContact CB-CD1 4.33Å; C27-L30 HydrophobicContact CB-CD2 4.27Å; C27-L30 HydrophobicContact CB-CG 3.95Å; C27-L30 WeakPolarHBondContact O-CG 3.13Å; C27-Y101 HydrophobicContact CB-CE2 4.32Å; C27-Y101 PolarHBondContact SG-OH 3.19Å; C27-Y101 VanDerWaalsContact SG-OH 3.4Å; C27-I103 HydrophobicContact CB-CD1 4.32Å; C27-I103 HydrophobicContact CB-CG1 4.15Å; C27-I103 HydrophobicContact CB-CG2 3.93Å
28	P	83.8	Confident	74.6	Confident	87 Å²	87	78.7 Å²	78.7	57%	0.565	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-12.2	-177.6	30.8	-35	0	0	0	113.2
29	Y	85.6	Confident	76.4	Confident	75 Å²	75	74.6 Å²	74.6	29%	0.294	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.7	8.3	-172.9	-55.4	-70.5	0	0	0	113.9	C27 D31 T32 H84 V85	C27-Y29 PolarHBondContact O-N 3.34Å; Y29-D31 VanDerWaalsContact C-OD1 3.31Å; Y29-D31 PolarHBondContact O-N 3.29Å; Y29-T32 WeakPolarHBondContact O-CB 3.46Å; Y29-T32 PolarHBondContact O-N 3.03Å; Y29-T32 VanDerWaalsContact O-N 3.14Å; Y29-T32 PolarHBondContact O-OG1 3.39Å; Y29-H84 HydrophobicContact CD1-CB 4.16Å; Y29-H84 AromaticContact CD1-CD2 3.54Å; Y29-H84 HydrophobicContact CD2-CB 3.77Å; Y29-H84 AromaticContact CE1-CD2 3.47Å; Y29-H84 VanDerWaalsContact CE1-CD2 3.47Å; Y29-H84 WeakPolarHBondContact CE1-CD2 3.32Å; Y29-H84 HydrophobicContact CE2-CB 4.23Å; Y29-H84 HydrophobicContact CG-CB 3.72Å; Y29-H84 AromaticContact CZ-CD2 3.93Å; Y29-V85 WeakPolarHBondContact O-CG2 3.46Å
30	L	86.4	Confident	77.8	Confident	33 Å²	33	71.5 Å²	71.5	17%	0.173	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	-65.6	-26.3	-177.4	-68.3	176.8	0	0	0	113.3	C27 T32 I33 I103 D105 L108	C27-L30 HydrophobicContact CB-CD1 4.33Å; C27-L30 HydrophobicContact CB-CD2 4.27Å; C27-L30 HydrophobicContact CB-CG 3.95Å; C27-L30 WeakPolarHBondContact O-CG 3.13Å; L30-T32 VanDerWaalsContact C-N 3.29Å; L30-T32 PolarHBondContact O-N 3.45Å; L30-I33 HydrophobicContact CD2-CD1 3.96Å; L30-I33 WeakPolarHBondContact O-CB 3.35Å; L30-I33 WeakPolarHBondContact O-CD1 3.27Å; L30-I33 WeakPolarHBondContact O-CG1 3.45Å; L30-I33 PolarHBondContact O-N 3.06Å; L30-I103 HydrophobicContact CD2-CG2 4.07Å; L30-D105 HydrophobicContact CD1-CB 4.1Å; L30-D105 WeakPolarHBondContact CD1-OD2 3.23Å; L30-L108 HydrophobicContact CD2-CD1 4.09Å; L30-L108 HydrophobicContact CD2-CD2 4.11Å; L30-L108 HydrophobicContact CD2-CG 4.36Å
31	D	85.6	Confident	79.3	Confident	134 Å²	134	65.8 Å²	65.8	72%	0.717	32%	0.319	S	S	*	.	G	3₁₀ helix	trans	-68.1	-25.1	174.2	61.3	-21.9	0	0	0	113.2	Y29 I33	Y29-D31 VanDerWaalsContact C-OD1 3.31Å; Y29-D31 PolarHBondContact O-N 3.29Å; D31-I33 PolarHBondContact O-N 3.02Å
32	T	89.3	Confident	80.4	Confident	50 Å²	50	67.7 Å²	67.7	31%	0.307	32%	0.324	S	S	.	.	G	3₁₀ helix	trans	-74	-9	177.9	70.6	0	0	0	0	113.9	Y29 L30 N34	Y29-T32 WeakPolarHBondContact O-CB 3.46Å; Y29-T32 PolarHBondContact O-N 3.03Å; Y29-T32 VanDerWaalsContact O-N 3.14Å; Y29-T32 PolarHBondContact O-OG1 3.39Å; L30-T32 VanDerWaalsContact C-N 3.29Å; L30-T32 PolarHBondContact O-N 3.45Å; T32-N34 PolarHBondContact O-N 3.04Å
33	I	90.4	Very high	81.4	Confident	14 Å²	14	62.9 Å²	62.9	7%	0.072	31%	0.31	C	S	.	.			trans	-70.8	121.6	-176.1	-63.7	172.6	0	0	0	110.4	L30 D31 R35 L59 V85 L108 I111	L30-I33 HydrophobicContact CD2-CD1 3.96Å; L30-I33 WeakPolarHBondContact O-CB 3.35Å; L30-I33 WeakPolarHBondContact O-CD1 3.27Å; L30-I33 WeakPolarHBondContact O-CG1 3.45Å; L30-I33 PolarHBondContact O-N 3.06Å; D31-I33 PolarHBondContact O-N 3.02Å; I33-R35 HydrophobicContact CG2-CG 4.28Å; I33-L59 HydrophobicContact CD1-CD1 4.16Å; I33-L59 HydrophobicContact CG1-CB 4.15Å; I33-L59 HydrophobicContact CG1-CD1 4.45Å; I33-L59 HydrophobicContact CG2-CB 4.11Å; I33-V85 HydrophobicContact CD1-CG1 4.06Å; I33-V85 HydrophobicContact CG1-CB 4.27Å; I33-V85 HydrophobicContact CG1-CG1 4.25Å; I33-V85 HydrophobicContact CG1-CG2 4.26Å; I33-L108 HydrophobicContact CD1-CD2 3.4Å; I33-I111 HydrophobicContact CG2-CD1 3.99Å
34	N	88.3	Confident	82.7	Confident	62 Å²	62	59.7 Å²	59.7	33%	0.332	30%	0.299	S	S	.	.			trans	-106.4	100.9	177	-172.9	-6.8	0	0	0	110.5	T32 S36 V37 L38 L59	T32-N34 PolarHBondContact O-N 3.04Å; N34-S36 VanDerWaalsContact C-N 3.29Å; N34-S36 PolarHBondContact O-N 2.7Å; N34-S36 PolarHBondContact OD1-N 3.25Å; N34-S36 VanDerWaalsContact OD1-N 3.15Å; N34-S36 PolarHBondContact OD1-OG 3.19Å; N34-V37 HydrophobicContact CB-CG2 3.92Å; N34-V37 VanDerWaalsContact O-CG2 3.23Å; N34-V37 WeakPolarHBondContact O-CG2 3.49Å; N34-L38 WeakPolarHBondContact O-CG 3.45Å; N34-L59 PolarHBondContact N-O 3.12Å
35	R	88.3	Confident	83.8	Confident	38 Å²	38	61.2 Å²	61.2	14%	0.143	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-69.4	-24	-178.8	-70.6	169.1	173.4	74.1	1.5	113.8	I33 V37 L38 S107 D110 Y137 F212	I33-R35 HydrophobicContact CG2-CG 4.28Å; R35-V37 VanDerWaalsContact C-N 3.3Å; R35-V37 PolarHBondContact O-N 3.34Å; R35-L38 HydrophobicContact CG-CD1 4.5Å; R35-L38 PolarHBondContact O-N 2.95Å; R35-S107 PolarHBondContact NH2-O 2.94Å; R35-D110 IonicContact CZ-OD2 3.57Å; R35-D110 IonicContact NE-OD1 2.74Å; R35-D110 IonicContact NE-OD2 3.59Å; R35-D110 PolarHBondContact NE-OD2 3.12Å; R35-D110 IonicContact NH2-OD1 3.9Å; R35-D110 IonicContact NH2-OD2 2.75Å; R35-Y137 HydrophobicContact CB-CD1 4.37Å; R35-Y137 HydrophobicContact CB-CD2 4.06Å; R35-Y137 HydrophobicContact CB-CE1 4.31Å; R35-Y137 HydrophobicContact CB-CE2 4Å; R35-Y137 HydrophobicContact CB-CG 4.25Å; R35-Y137 HydrophobicContact CG-CE2 4.47Å; R35-F212 HydrophobicContact CB-CE2 4.47Å; R35-F212 HydrophobicContact CG-CZ 4.29Å
36	S	86.1	Confident	84.9	Confident	64 Å²	64	54.3 Å²	54.3	45%	0.448	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-71.2	-25.8	-176.6	66.6	0	0	0	0	113.5	N34	N34-S36 VanDerWaalsContact C-N 3.29Å; N34-S36 PolarHBondContact O-N 2.7Å; N34-S36 PolarHBondContact OD1-N 3.25Å; N34-S36 VanDerWaalsContact OD1-N 3.15Å; N34-S36 PolarHBondContact OD1-OG 3.19Å
37	V	87.1	Confident	85.8	Confident	59 Å²	59	49.8 Å²	49.8	36%	0.358	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-92.8	-6.1	179.7	-58.7	0	0	0	0	113.4	N34 R35 D39 V60	N34-V37 HydrophobicContact CB-CG2 3.92Å; N34-V37 VanDerWaalsContact O-CG2 3.23Å; N34-V37 WeakPolarHBondContact O-CG2 3.49Å; R35-V37 VanDerWaalsContact C-N 3.3Å; R35-V37 PolarHBondContact O-N 3.34Å; V37-D39 PolarHBondContact O-N 2.94Å; V37-V60 WeakPolarHBondContact CG2-O 3.45Å
38	L	88.1	Confident	86.3	Confident	5 Å²	5	54.1 Å²	54.1	3%	0.026	29%	0.288	C	S	.	.			trans	-77.4	126	-179.6	-54.7	-178.2	0	0	0	110.1	N34 R35 F40 L59 I111 F212	N34-L38 WeakPolarHBondContact O-CG 3.45Å; R35-L38 HydrophobicContact CG-CD1 4.5Å; R35-L38 PolarHBondContact O-N 2.95Å; L38-F40 HydrophobicContact CB-CE2 4Å; L38-F40 HydrophobicContact CB-CZ 4.04Å; L38-F40 HydrophobicContact CD1-CE2 4.43Å; L38-F40 HydrophobicContact CD1-CZ 4.19Å; L38-L59 HydrophobicContact CD1-CD2 4.15Å; L38-L59 HydrophobicContact CD2-CD2 4.13Å; L38-I111 HydrophobicContact CD1-CD1 3.95Å; L38-I111 HydrophobicContact CD1-CG1 4.13Å; L38-I111 HydrophobicContact CD1-CG2 4.34Å; L38-F212 HydrophobicContact CB-CD2 4.2Å; L38-F212 HydrophobicContact CB-CE2 4.32Å; L38-F212 HydrophobicContact CD1-CE2 4.03Å
39	D	85	Confident	86.5	Confident	30 Å²	30	52.1 Å²	52.1	16%	0.16	28%	0.277	C	S	.	.			trans	-139.8	107.5	177.8	-163.1	-37.6	0	0	0	110	V37 D41 F42 Y64 K213	V37-D39 PolarHBondContact O-N 2.94Å; D39-D41 WeakPolarHBondContact OD1-CB 2.99Å; D39-D41 PolarHBondContact OD1-N 3.48Å; D39-D41 VanDerWaalsContact OD1-N 3.09Å; D39-F42 HydrophobicContact CB-CD2 4.07Å; D39-F42 HydrophobicContact CB-CE2 4.03Å; D39-F42 VanDerWaalsContact CG-CE2 3.45Å; D39-F42 WeakPolarHBondContact OD2-CE2 3.37Å; D39-Y64 PolarHBondContact O-OH 2.87Å; D39-K213 IonicContact OD2-NZ 3.85Å; D39-K213 PolarHBondContact OD2-NZ 3.44Å
40	F	85.8	Confident	86.6	Confident	8 Å²	8	54.7 Å²	54.7	4%	0.035	29%	0.294	C	S	.	.			trans	-97.4	15.5	-175.2	-58.6	-63.4	0	0	0	113.5	L38 A57 Y64 L87 L89 I111 V114 L115 K205 F212	L38-F40 HydrophobicContact CB-CE2 4Å; L38-F40 HydrophobicContact CB-CZ 4.04Å; L38-F40 HydrophobicContact CD1-CE2 4.43Å; L38-F40 HydrophobicContact CD1-CZ 4.19Å; F40-A57 HydrophobicContact CE1-CB 4.24Å; F40-Y64 WeakPolarHBondContact CA-OH 3.28Å; F40-L87 HydrophobicContact CE1-CD2 4.23Å; F40-L87 HydrophobicContact CZ-CD2 4.27Å; F40-L89 HydrophobicContact CD1-CD2 4.24Å; F40-L89 HydrophobicContact CE1-CD2 4.34Å; F40-I111 HydrophobicContact CE2-CG2 3.82Å; F40-I111 HydrophobicContact CZ-CG2 3.58Å; F40-V114 HydrophobicContact CD2-CB 4.46Å; F40-V114 HydrophobicContact CD2-CG1 3.94Å; F40-V114 HydrophobicContact CE2-CG1 4.48Å; F40-L115 HydrophobicContact CB-CD1 3.72Å; F40-L115 HydrophobicContact CD1-CD1 3.88Å; F40-L115 HydrophobicContact CD2-CB 4.26Å; F40-L115 HydrophobicContact CG-CB 4.23Å; F40-L115 HydrophobicContact CG-CD1 3.87Å; F40-K205 PolarHBondContact O-NZ 3.03Å; F40-F212 HydrophobicContact CE2-CE2 4.31Å
41	D	83	Confident	86.7	Confident	19 Å²	19	54.2 Å²	54.2	10%	0.102	29%	0.294	C	S	.	.	S	Bend	trans	-94.4	-11.3	-179.6	-66.5	-19.9	0	0	0	113.6	D39 K205 S217	D39-D41 WeakPolarHBondContact OD1-CB 2.99Å; D39-D41 PolarHBondContact OD1-N 3.48Å; D39-D41 VanDerWaalsContact OD1-N 3.09Å; D41-K205 WeakPolarHBondContact OD1-CD 3.4Å; D41-K205 VanDerWaalsContact OD1-CE 3.31Å; D41-K205 WeakPolarHBondContact OD1-CE 3.14Å; D41-K205 IonicContact OD1-NZ 2.75Å; D41-K205 PolarHBondContact OD1-NZ 2.85Å; D41-S217 PolarHBondContact OD2-N 3.26Å
42	F	79	Confident	86.6	Confident	102 Å²	102	54 Å²	54	45%	0.447	29%	0.289	S	S	.	.	S	Bend	trans	-82.9	158.1	175.1	-64.5	-78.3	0	0	0	112.6	D39 K44	D39-F42 HydrophobicContact CB-CD2 4.07Å; D39-F42 HydrophobicContact CB-CE2 4.03Å; D39-F42 VanDerWaalsContact CG-CE2 3.45Å; D39-F42 WeakPolarHBondContact OD2-CE2 3.37Å; F42-K44 PolarHBondContact O-N 3.11Å
43	E	79.9	Confident	86.4	Confident	83 Å²	83	56 Å²	56	39%	0.388	30%	0.296	S	S	.	.			trans	-57.9	138.4	177.2	-169.4	171.9	-177.4	0	0	111.4	L45 Y64 Q223	E43-L45 HydrophobicContact CB-CD2 3.86Å; E43-L45 HydrophobicContact CB-CG 4.17Å; E43-L45 HydrophobicContact CG-CD2 3.75Å; E43-L45 HydrophobicContact CG-CG 4.21Å; E43-L45 PolarHBondContact O-N 2.61Å; E43-L45 WeakPolarHBondContact OE2-CD2 3.47Å; E43-Y64 WeakPolarHBondContact O-CD2 3.14Å; E43-Y64 WeakPolarHBondContact O-CE2 3.47Å; E43-Q223 PolarHBondContact OE2-NE2 3.44Å
44	K	86.9	Confident	86.3	Confident	58 Å²	58	59.3 Å²	59.3	25%	0.252	31%	0.314	S	S	.	.	S	Bend	trans	-79	56.4	-174.2	-57.7	176.8	179.5	-177.6	0	111.8	F42 A55 L89	F42-K44 PolarHBondContact O-N 3.11Å; K44-A55 WeakPolarHBondContact O-CB 3.4Å; K44-L89 HydrophobicContact CB-CD1 4.01Å; K44-L89 HydrophobicContact CD-CB 4.17Å; K44-L89 HydrophobicContact CG-CD1 4.1Å
45	L	87.6	Confident	86.5	Confident	47 Å²	47	56.3 Å²	56.3	25%	0.246	30%	0.298	C	S	.	.			trans	-111.7	148.5	-178.5	53.9	82.8	0	0	0	111.7	E43 S47 L50 S51 Y64	E43-L45 HydrophobicContact CB-CD2 3.86Å; E43-L45 HydrophobicContact CB-CG 4.17Å; E43-L45 HydrophobicContact CG-CD2 3.75Å; E43-L45 HydrophobicContact CG-CG 4.21Å; E43-L45 PolarHBondContact O-N 2.61Å; E43-L45 WeakPolarHBondContact OE2-CD2 3.47Å; L45-S47 PolarHBondContact O-N 3.16Å; L45-L50 HydrophobicContact CD1-CD2 4.15Å; L45-S51 WeakPolarHBondContact CA-O 3.23Å; L45-Y64 WeakPolarHBondContact O-CB 3.44Å
46	C	88.6	Confident	86.7	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	29%	0.292	C	S	.	.			trans	-66.9	128.5	173.3	178	0	0	0	0	110.3	I48 S49 L50 S51 Y64 Q66	C46-I48 PolarHBondContact O-N 3.16Å; C46-I48 VanDerWaalsContact O-N 3.07Å; C46-I48 PolarHBondContact SG-N 2.97Å; C46-I48 VanDerWaalsContact SG-N 3.38Å; C46-S49 VanDerWaalsContact CB-OG 3.3Å; C46-S49 WeakPolarHBondContact CB-OG 3.36Å; C46-S49 PolarHBondContact SG-N 3.45Å; C46-S49 VanDerWaalsContact SG-N 3.43Å; C46-S49 PolarHBondContact SG-OG 3.28Å; C46-L50 WeakPolarHBondContact O-CA 3.24Å; C46-L50 PolarHBondContact O-N 3.42Å; C46-S51 PolarHBondContact N-O 3.14Å; C46-Y64 CarbonylContact C-O 3.55Å; C46-Y64 WeakPolarHBondContact CA-O 3.24Å; C46-Q66 HydrophobicContact CB-CB 3.96Å; C46-Q66 PolarHBondContact SG-N 2.95Å
47	S	89	Confident	87.1	Confident	67 Å²	67	51.7 Å²	51.7	47%	0.469	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-11.5	177.7	-51.5	0	0	0	0	114.3	L45 Y64	L45-S47 PolarHBondContact O-N 3.16Å; S47-Y64 PolarHBondContact N-O 3.12Å; S47-Y64 PolarHBondContact OG-O 2.85Å
48	I	88.4	Confident	87.4	Confident	101 Å²	101	48.9 Å²	48.9	52%	0.518	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.3	-58.8	178.6	-56.5	-179.2	0	0	0	110.6	C46 F65 H73	C46-I48 PolarHBondContact O-N 3.16Å; C46-I48 VanDerWaalsContact O-N 3.07Å; C46-I48 PolarHBondContact SG-N 2.97Å; C46-I48 VanDerWaalsContact SG-N 3.38Å; I48-F65 HydrophobicContact CD1-CD1 4.04Å; I48-F65 HydrophobicContact CD1-CE1 3.99Å; I48-F65 HydrophobicContact CG1-CD1 4.33Å; I48-F65 HydrophobicContact CG1-CE1 4.27Å; I48-H73 HydrophobicContact CD1-CB 4.14Å
49	S	87.9	Confident	87.7	Confident	46 Å²	46	48.7 Å²	48.7	32%	0.322	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-9	-174.7	64.3	0	0	0	0	114.1	C46 S51 Q66	C46-S49 VanDerWaalsContact CB-OG 3.3Å; C46-S49 WeakPolarHBondContact CB-OG 3.36Å; C46-S49 PolarHBondContact SG-N 3.45Å; C46-S49 VanDerWaalsContact SG-N 3.43Å; C46-S49 PolarHBondContact SG-OG 3.28Å; S49-S51 PolarHBondContact O-N 3.03Å; S49-S51 WeakPolarHBondContact OG-CB 3.45Å; S49-S51 PolarHBondContact OG-N 2.78Å; S49-Q66 PolarHBondContact OG-OE1 2.77Å
50	L	88	Confident	88	Confident	128 Å²	128	48.6 Å²	48.6	67%	0.67	25%	0.253	S	S	*	.			trans	55.3	14.6	-171.2	-54.4	176.4	0	0	0	113.7	L45 C46	L45-L50 HydrophobicContact CD1-CD2 4.15Å; C46-L50 WeakPolarHBondContact O-CA 3.24Å; C46-L50 PolarHBondContact O-N 3.42Å
51	S	87.3	Confident	88.3	Confident	23 Å²	23	50 Å²	50	16%	0.161	26%	0.264	C	S	.	.			trans	-78.5	139.8	178.6	-170.9	0	0	0	0	111	L45 C46 S49 I53	L45-S51 WeakPolarHBondContact CA-O 3.23Å; C46-S51 PolarHBondContact N-O 3.14Å; S49-S51 PolarHBondContact O-N 3.03Å; S49-S51 WeakPolarHBondContact OG-CB 3.45Å; S49-S51 PolarHBondContact OG-N 2.78Å; S51-I53 VanDerWaalsContact C-N 3.34Å; S51-I53 PolarHBondContact OG-N 3.44Å
52	H	83.6	Confident	88.6	Confident	131 Å²	131	49.9 Å²	49.9	61%	0.606	27%	0.267	S	S	*	.			trans	-85.6	-7.5	172.1	55.4	-89	0	0	0	112.7	H90	H52-H90 PolarHBondContact O-CE1 3.01Å
53	I	86.4	Confident	89.2	Confident	90 Å²	90	50.8 Å²	50.8	46%	0.462	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	124.3	-172.4	-56	173.7	0	0	0	109.6	S51 A55	S51-I53 VanDerWaalsContact C-N 3.34Å; S51-I53 PolarHBondContact OG-N 3.44Å; I53-A55 PolarHBondContact O-N 2.87Å
54	N	88.4	Confident	89.9	Confident	84 Å²	84	47.5 Å²	47.5	45%	0.449	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.4	53.9	175.9	-70.8	-34.3	0	0	0	113.1	Y56 G67	N54-Y56 HydrophobicContact CB-CE2 4.34Å; N54-Y56 WeakPolarHBondContact O-CD2 3.47Å; N54-Y56 WeakPolarHBondContact O-CE2 3.34Å; N54-G67 WeakPolarHBondContact CB-O 3.43Å; N54-G67 PolarHBondContact O-N 2.95Å
55	A	91.9	Very high	90.2	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	131.5	174.7	0	0	0	0	0	111.8	K44 I53 L89	K44-A55 WeakPolarHBondContact O-CB 3.4Å; I53-A55 PolarHBondContact O-N 2.87Å; A55-L89 HydrophobicContact CB-CD1 4.06Å; A55-L89 PolarHBondContact O-N 3.34Å; A55-L89 VanDerWaalsContact O-N 3.15Å
56	Y	92.8	Very high	90.5	Very high	5 Å²	5	45.7 Å²	45.7	2%	0.02	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	132.3	175.3	-70.5	-104.3	0	0	0	109.5	N54 Y64 F65 G67 R68 F86 L87 N88 Y95	N54-Y56 HydrophobicContact CB-CE2 4.34Å; N54-Y56 WeakPolarHBondContact O-CD2 3.47Å; N54-Y56 WeakPolarHBondContact O-CE2 3.34Å; Y56-Y64 CarbonylContact O-C 3.51Å; Y56-Y64 WeakPolarHBondContact O-CA 3.03Å; Y56-F65 PolarHBondContact N-O 2.87Å; Y56-F65 PolarHBondContact O-N 2.78Å; Y56-G67 VanDerWaalsContact CD2-CA 3.47Å; Y56-R68 HydrophobicContact CE1-CB 4.23Å; Y56-R68 HydrophobicContact CE2-CB 4.12Å; Y56-F86 HydrophobicContact CD1-CB 4.21Å; Y56-L87 CarbonylContact C-O 3.5Å; Y56-L87 VanDerWaalsContact CA-O 3.24Å; Y56-L87 WeakPolarHBondContact CA-O 3.49Å; Y56-N88 HydrophobicContact CD1-CB 4.02Å; Y56-N88 HydrophobicContact CE1-CB 3.71Å; Y56-N88 VanDerWaalsContact CZ-ND2 3.32Å; Y56-N88 PolarHBondContact OH-ND2 2.93Å; Y56-N88 VanDerWaalsContact OH-ND2 3.16Å; Y56-Y95 HydrophobicContact CD1-CD2 4.48Å; Y56-Y95 AromaticContact CE1-CD2 3.76Å; Y56-Y95 HydrophobicContact CE1-CD2 3.76Å; Y56-Y95 HydrophobicContact CE1-CE2 4.16Å; Y56-Y95 HydrophobicContact CE1-CG 4.43Å
57	A	93.8	Very high	90.5	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	126.4	171.8	0	0	0	0	0	110.4	F40 Y64 F86 L87 L89	F40-A57 HydrophobicContact CE1-CB 4.24Å; A57-Y64 HydrophobicContact CB-CD1 3.64Å; A57-Y64 HydrophobicContact CB-CE1 3.59Å; A57-F86 CarbonylContact O-C 3.48Å; A57-F86 VanDerWaalsContact O-CA 3.28Å; A57-F86 WeakPolarHBondContact O-CA 3.41Å; A57-L87 HydrophobicContact CB-CB 4.5Å; A57-L87 PolarHBondContact N-O 3.22Å; A57-L87 PolarHBondContact O-N 3.41Å; A57-L89 HydrophobicContact CB-CD1 4.43Å; A57-L89 HydrophobicContact CB-CD2 3.86Å; A57-L89 HydrophobicContact CB-CG 4.21Å
58	C	94.2	Very high	90.2	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	121	171.1	177.5	0	0	0	0	109.5	V60 G62 K63 F65 H83 F86	C58-V60 PolarHBondContact O-N 3.42Å; C58-G62 VanDerWaalsContact O-CA 3.28Å; C58-G62 WeakPolarHBondContact O-CA 3.4Å; C58-G62 PolarHBondContact O-N 2.8Å; C58-K63 PolarHBondContact N-O 2.83Å; C58-F65 HydrophobicContact CB-CD2 4.24Å; C58-F65 HydrophobicContact CB-CE2 4.02Å; C58-H83 VanDerWaalsContact SG-CB 3.56Å; C58-F86 HydrophobicContact CB-CD1 4.07Å; C58-F86 HydrophobicContact CB-CE1 3.78Å
59	L	93.1	Very high	90.2	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-4.3	-176.2	-59.9	-169	0	0	0	114.1	I33 N34 L38 V85 L87 F94 I111	I33-L59 HydrophobicContact CD1-CD1 4.16Å; I33-L59 HydrophobicContact CG1-CB 4.15Å; I33-L59 HydrophobicContact CG1-CD1 4.45Å; I33-L59 HydrophobicContact CG2-CB 4.11Å; N34-L59 PolarHBondContact N-O 3.12Å; L38-L59 HydrophobicContact CD1-CD2 4.15Å; L38-L59 HydrophobicContact CD2-CD2 4.13Å; L59-V85 HydrophobicContact CB-CB 4.3Å; L59-V85 HydrophobicContact CB-CG1 4.29Å; L59-V85 HydrophobicContact CD1-CG1 3.66Å; L59-V85 HydrophobicContact CG-CG1 4.2Å; L59-V85 PolarHBondContact N-O 2.99Å; L59-L87 HydrophobicContact CD2-CB 3.93Å; L59-L87 HydrophobicContact CG-CB 4.43Å; L59-F94 HydrophobicContact CD1-CD1 3.8Å; L59-F94 HydrophobicContact CD1-CE1 3.8Å; L59-I111 HydrophobicContact CD1-CD1 3.86Å; L59-I111 HydrophobicContact CD2-CD1 4.44Å; L59-I111 HydrophobicContact CD2-CG2 4.28Å
60	V	92.4	Very high	90.1	Very high	28 Å²	28	48.8 Å²	48.8	17%	0.17	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.9	-42.6	177.9	-172.6	0	0	0	0	111.3	V37 C58 H83	V37-V60 WeakPolarHBondContact CG2-O 3.45Å; C58-V60 PolarHBondContact O-N 3.42Å; V60-H83 HydrophobicContact CB-CB 4.16Å; V60-H83 VanDerWaalsContact CG1-CD2 3.42Å; V60-H83 WeakPolarHBondContact CG1-CD2 3.32Å; V60-H83 HydrophobicContact CG2-CB 4.09Å
61	C	91.6	Very high	90.1	Very high	38 Å²	38	52.3 Å²	52.3	26%	0.257	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.4	-6	-175.8	74.5	0	0	0	0	115	K63 H77	C61-K63 PolarHBondContact O-N 2.87Å; C61-H77 PolarHBondContact SG-NE2 3.42Å; C61-H77 VanDerWaalsContact SG-NE2 3.37Å
62	G	89.3	Confident	90.3	Very high	17 Å²	17	52 Å²	52	18%	0.175	27%	0.268	C	S	.	.			trans	75.2	-3	179.1	0	0	0	0	0	115.8	C58	C58-G62 VanDerWaalsContact O-CA 3.28Å; C58-G62 WeakPolarHBondContact O-CA 3.4Å; C58-G62 PolarHBondContact O-N 2.8Å
63	K	91.7	Very high	90.7	Very high	121 Å²	121	48.4 Å²	48.4	53%	0.526	25%	0.251	S	S	.	.			trans	-80.5	153.9	-179.2	-65	-178	-178.4	178.4	0	112.8	C58 C61 F65	C58-K63 PolarHBondContact N-O 2.83Å; C61-K63 PolarHBondContact O-N 2.87Å; K63-F65 HydrophobicContact CB-CE2 3.57Å; K63-F65 HydrophobicContact CB-CZ 3.62Å; K63-F65 HydrophobicContact CD-CZ 4.25Å
64	Y	94.2	Very high	91	Very high	14 Å²	14	44.1 Å²	44.1	6%	0.055	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	132.9	-177.5	-62.9	-12.6	0	0	0	111.7	D39 F40 E43 L45 C46 S47 Y56 A57 L89	D39-Y64 PolarHBondContact O-OH 2.87Å; F40-Y64 WeakPolarHBondContact CA-OH 3.28Å; E43-Y64 WeakPolarHBondContact O-CD2 3.14Å; E43-Y64 WeakPolarHBondContact O-CE2 3.47Å; L45-Y64 WeakPolarHBondContact O-CB 3.44Å; C46-Y64 CarbonylContact C-O 3.55Å; C46-Y64 WeakPolarHBondContact CA-O 3.24Å; S47-Y64 PolarHBondContact N-O 3.12Å; S47-Y64 PolarHBondContact OG-O 2.85Å; Y56-Y64 CarbonylContact O-C 3.51Å; Y56-Y64 WeakPolarHBondContact O-CA 3.03Å; A57-Y64 HydrophobicContact CB-CD1 3.64Å; A57-Y64 HydrophobicContact CB-CE1 3.59Å; Y64-L89 HydrophobicContact CD1-CD1 4.09Å; Y64-L89 HydrophobicContact CD2-CD1 4.1Å; Y64-L89 HydrophobicContact CE1-CD1 4.1Å; Y64-L89 HydrophobicContact CE2-CD1 4.11Å; Y64-L89 HydrophobicContact CG-CD1 4.08Å
65	F	93.7	Very high	91.3	Very high	9 Å²	9	42.9 Å²	42.9	4%	0.039	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	144.1	-177	-58.5	-77.9	0	0	0	111.8	I48 Y56 C58 K63 H73 A74 H77 F86	I48-F65 HydrophobicContact CD1-CD1 4.04Å; I48-F65 HydrophobicContact CD1-CE1 3.99Å; I48-F65 HydrophobicContact CG1-CD1 4.33Å; I48-F65 HydrophobicContact CG1-CE1 4.27Å; Y56-F65 PolarHBondContact N-O 2.87Å; Y56-F65 PolarHBondContact O-N 2.78Å; C58-F65 HydrophobicContact CB-CD2 4.24Å; C58-F65 HydrophobicContact CB-CE2 4.02Å; K63-F65 HydrophobicContact CB-CE2 3.57Å; K63-F65 HydrophobicContact CB-CZ 3.62Å; K63-F65 HydrophobicContact CD-CZ 4.25Å; F65-H73 HydrophobicContact CB-CB 4.29Å; F65-H73 HydrophobicContact CD1-CB 4.31Å; F65-A74 HydrophobicContact CB-CB 3.83Å; F65-H77 HydrophobicContact CD1-CB 4.43Å; F65-H77 HydrophobicContact CD2-CB 4.35Å; F65-H77 AromaticContact CD2-CD2 3.86Å; F65-H77 HydrophobicContact CE1-CB 4.35Å; F65-H77 HydrophobicContact CE2-CB 4.27Å; F65-H77 AromaticContact CE2-CD2 3.3Å; F65-H77 WeakPolarHBondContact CE2-CD2 3.45Å; F65-H77 AromaticContact CE2-CE1 3.77Å; F65-H77 AromaticContact CE2-CG 3.54Å; F65-H77 AromaticContact CE2-ND1 3.82Å; F65-H77 AromaticContact CE2-NE2 3.44Å; F65-H77 WeakPolarHBondContact CE2-NE2 3.35Å; F65-H77 HydrophobicContact CG-CB 4.42Å; F65-H77 HydrophobicContact CZ-CB 4.27Å; F65-H77 AromaticContact CZ-CD2 3.76Å; F65-H77 AromaticContact CZ-CE1 3.55Å; F65-H77 AromaticContact CZ-CG 3.57Å; F65-H77 AromaticContact CZ-ND1 3.42Å; F65-H77 WeakPolarHBondContact CZ-ND1 3.44Å; F65-H77 AromaticContact CZ-NE2 3.74Å; F65-F86 HydrophobicContact CD2-CE1 4.31Å
66	Q	93.9	Very high	91.3	Very high	57 Å²	57	46 Å²	46	27%	0.266	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	131.4	171.2	-175.6	172.1	18.8	0	0	109.5	C46 S49 S72 H73 A74	C46-Q66 HydrophobicContact CB-CB 3.96Å; C46-Q66 PolarHBondContact SG-N 2.95Å; S49-Q66 PolarHBondContact OG-OE1 2.77Å; Q66-S72 WeakPolarHBondContact O-CB 3.4Å; Q66-H73 PolarHBondContact O-N 3.02Å; Q66-H73 VanDerWaalsContact O-N 3.15Å; Q66-A74 PolarHBondContact O-N 3.27Å
67	G	88.4	Confident	91.3	Very high	11 Å²	11	46.5 Å²	46.5	11%	0.113	24%	0.237	C	C	.	.			trans	-144.4	174.3	-171.6	0	0	0	0	0	114.4	N54 Y56	N54-G67 WeakPolarHBondContact CB-O 3.43Å; N54-G67 PolarHBondContact O-N 2.95Å; Y56-G67 VanDerWaalsContact CD2-CA 3.47Å
68	R	83.5	Confident	91.3	Very high	95 Å²	95	46.5 Å²	46.5	36%	0.358	24%	0.237	S	C	.	.	S	Bend	cis	-123.8	10.2	5.1	68.9	-178.1	-169.9	-106.8	-2.1	114.5	Y56 S72 Y95 L97 N100	Y56-R68 HydrophobicContact CE1-CB 4.23Å; Y56-R68 HydrophobicContact CE2-CB 4.12Å; R68-S72 VanDerWaalsContact C-OG 3.29Å; R68-Y95 PolarHBondContact NH1-OH 2.84Å; R68-L97 HydrophobicContact CB-CD1 4.48Å; R68-L97 HydrophobicContact CB-CD2 4.36Å; R68-N100 WeakPolarHBondContact CD-OD1 3.46Å; R68-N100 PolarHBondContact NE-OD1 3.45Å
69	G	87.8	Confident	91.2	Very high	45 Å²	45	50.3 Å²	50.3	46%	0.464	26%	0.26	S	S	.	.	S	Bend	trans	-62.4	165	-177.3	0	0	0	0	0	113.4	K71 S72 Y75	G69-K71 PolarHBondContact O-N 3.12Å; G69-S72 PolarHBondContact N-OG 2.86Å; G69-S72 WeakPolarHBondContact O-CB 3.32Å; G69-S72 PolarHBondContact O-N 2.79Å; G69-S72 PolarHBondContact O-OG 2.69Å; G69-Y75 VanDerWaalsContact O-CB 3.31Å; G69-Y75 WeakPolarHBondContact O-CB 3.48Å
70	L	86.1	Confident	91.2	Very high	129 Å²	129	56.7 Å²	56.7	68%	0.675	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-27.5	-176.4	-62.7	173.1	0	0	0	114.4	Y75	L70-Y75 HydrophobicContact CD2-CD2 4.13Å; L70-Y75 HydrophobicContact CD2-CE1 4.25Å; L70-Y75 HydrophobicContact CD2-CE2 3.48Å; L70-Y75 VanDerWaalsContact CD2-CE2 3.48Å; L70-Y75 WeakPolarHBondContact O-CD1 3.45Å
71	K	88.3	Confident	91.1	Very high	201 Å²	201	61.1 Å²	61.1	87%	0.874	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.7	4.4	177.6	-61.8	-175.7	179.4	-178.6	0	113.5	G69	G69-K71 PolarHBondContact O-N 3.12Å
72	S	91.7	Very high	91.1	Very high	17 Å²	17	63 Å²	63	12%	0.119	32%	0.321	C	S	.	.	S	Bend	trans	-79.5	153.6	-175.7	74.1	0	0	0	0	111.5	Q66 R68 G69 A74 Y75 I76	Q66-S72 WeakPolarHBondContact O-CB 3.4Å; R68-S72 VanDerWaalsContact C-OG 3.29Å; G69-S72 PolarHBondContact N-OG 2.86Å; G69-S72 WeakPolarHBondContact O-CB 3.32Å; G69-S72 PolarHBondContact O-N 2.79Å; G69-S72 PolarHBondContact O-OG 2.69Å; S72-A74 VanDerWaalsContact C-N 3.25Å; S72-A74 PolarHBondContact O-N 3.29Å; S72-Y75 PolarHBondContact O-N 2.85Å; S72-Y75 WeakPolarHBondContact OG-CB 3.27Å; S72-Y75 PolarHBondContact OG-N 3.28Å; S72-I76 WeakPolarHBondContact O-CG1 3.4Å; S72-I76 PolarHBondContact O-N 3.49Å
73	H	92.4	Very high	91.4	Very high	55 Å²	55	64 Å²	64	26%	0.255	32%	0.321	S	S	.	.	H	α-helix	trans	-61.5	-34.8	177.4	-66.7	-56.1	0	0	0	112.3	I48 F65 Q66 H77	I48-H73 HydrophobicContact CD1-CB 4.14Å; F65-H73 HydrophobicContact CB-CB 4.29Å; F65-H73 HydrophobicContact CD1-CB 4.31Å; Q66-H73 PolarHBondContact O-N 3.02Å; Q66-H73 VanDerWaalsContact O-N 3.15Å; H73-H77 WeakPolarHBondContact O-CB 3.41Å; H73-H77 PolarHBondContact O-N 3.21Å
74	A	92.3	Very high	91.4	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-64.3	-44	176	0	0	0	0	0	111.8	F65 Q66 S72 H77 S78 F86 L97	F65-A74 HydrophobicContact CB-CB 3.83Å; Q66-A74 PolarHBondContact O-N 3.27Å; S72-A74 VanDerWaalsContact C-N 3.25Å; S72-A74 PolarHBondContact O-N 3.29Å; A74-H77 PolarHBondContact O-N 3.02Å; A74-S78 PolarHBondContact O-N 3.49Å; A74-F86 HydrophobicContact CB-CD1 4.42Å; A74-F86 HydrophobicContact CB-CE1 4.25Å; A74-F86 WeakPolarHBondContact O-CZ 3.45Å; A74-L97 HydrophobicContact CB-CD1 3.96Å
75	Y	93.5	Very high	91.4	Very high	59 Å²	59	58.9 Å²	58.9	23%	0.231	30%	0.3	C	S	.	.	H	α-helix	trans	-63.3	-48.9	177	-174.7	-85.6	0	0	0	111.3	G69 L70 S72 H77 S78 V79 P98	G69-Y75 VanDerWaalsContact O-CB 3.31Å; G69-Y75 WeakPolarHBondContact O-CB 3.48Å; L70-Y75 HydrophobicContact CD2-CD2 4.13Å; L70-Y75 HydrophobicContact CD2-CE1 4.25Å; L70-Y75 HydrophobicContact CD2-CE2 3.48Å; L70-Y75 VanDerWaalsContact CD2-CE2 3.48Å; L70-Y75 WeakPolarHBondContact O-CD1 3.45Å; S72-Y75 PolarHBondContact O-N 2.85Å; S72-Y75 WeakPolarHBondContact OG-CB 3.27Å; S72-Y75 PolarHBondContact OG-N 3.28Å; Y75-H77 VanDerWaalsContact C-N 3.3Å; Y75-H77 PolarHBondContact O-N 3.01Å; Y75-S78 PolarHBondContact O-N 3.13Å; Y75-S78 VanDerWaalsContact O-N 3.14Å; Y75-S78 PolarHBondContact O-OG 3.24Å; Y75-V79 HydrophobicContact CD1-CG2 4.37Å; Y75-V79 HydrophobicContact CE1-CG2 3.97Å; Y75-V79 PolarHBondContact O-N 3.17Å; Y75-P98 HydrophobicContact CD2-CB 4.11Å; Y75-P98 HydrophobicContact CE2-CB 3.39Å
76	I	92.7	Very high	91.4	Very high	66 Å²	66	58.5 Å²	58.5	34%	0.338	30%	0.298	S	S	.	.	H	α-helix	trans	-59.9	-43.1	177.9	-65.2	166.7	0	0	0	110.6	S72 S78 V79 Q80	S72-I76 WeakPolarHBondContact O-CG1 3.4Å; S72-I76 PolarHBondContact O-N 3.49Å; I76-S78 VanDerWaalsContact C-N 3.32Å; I76-S78 PolarHBondContact O-N 2.55Å; I76-V79 PolarHBondContact O-N 3.36Å; I76-Q80 VanDerWaalsContact CG2-CD 3.43Å; I76-Q80 HydrophobicContact CG2-CG 4.03Å; I76-Q80 WeakPolarHBondContact O-CB 3.23Å; I76-Q80 WeakPolarHBondContact O-CG 3.35Å; I76-Q80 PolarHBondContact O-N 3.25Å
77	H	93.6	Very high	91.4	Very high	14 Å²	14	55.8 Å²	55.8	7%	0.065	29%	0.285	C	S	.	.	H	α-helix	trans	-60.6	-40.9	176.8	-175.4	68.5	0	0	0	112.1	C61 F65 H73 A74 Y75 V79 F81 H83 F86	C61-H77 PolarHBondContact SG-NE2 3.42Å; C61-H77 VanDerWaalsContact SG-NE2 3.37Å; F65-H77 HydrophobicContact CD1-CB 4.43Å; F65-H77 HydrophobicContact CD2-CB 4.35Å; F65-H77 AromaticContact CD2-CD2 3.86Å; F65-H77 HydrophobicContact CE1-CB 4.35Å; F65-H77 HydrophobicContact CE2-CB 4.27Å; F65-H77 AromaticContact CE2-CD2 3.3Å; F65-H77 WeakPolarHBondContact CE2-CD2 3.45Å; F65-H77 AromaticContact CE2-CE1 3.77Å; F65-H77 AromaticContact CE2-CG 3.54Å; F65-H77 AromaticContact CE2-ND1 3.82Å; F65-H77 AromaticContact CE2-NE2 3.44Å; F65-H77 WeakPolarHBondContact CE2-NE2 3.35Å; F65-H77 HydrophobicContact CG-CB 4.42Å; F65-H77 HydrophobicContact CZ-CB 4.27Å; F65-H77 AromaticContact CZ-CD2 3.76Å; F65-H77 AromaticContact CZ-CE1 3.55Å; F65-H77 AromaticContact CZ-CG 3.57Å; F65-H77 AromaticContact CZ-ND1 3.42Å; F65-H77 WeakPolarHBondContact CZ-ND1 3.44Å; F65-H77 AromaticContact CZ-NE2 3.74Å; H73-H77 WeakPolarHBondContact O-CB 3.41Å; H73-H77 PolarHBondContact O-N 3.21Å; A74-H77 PolarHBondContact O-N 3.02Å; Y75-H77 VanDerWaalsContact C-N 3.3Å; Y75-H77 PolarHBondContact O-N 3.01Å; H77-V79 VanDerWaalsContact C-N 3.33Å; H77-V79 PolarHBondContact O-N 2.89Å; H77-F81 AromaticContact CE1-CD2 3.51Å; H77-F81 AromaticContact CE1-CG 3.81Å; H77-F81 AromaticContact ND1-CD2 3.12Å; H77-F81 WeakPolarHBondContact ND1-CD2 3.35Å; H77-F81 AromaticContact ND1-CE2 3.62Å; H77-F81 AromaticContact ND1-CG 3.88Å; H77-F81 PolarHBondContact O-N 3.44Å; H77-H83 AromaticContact CD2-ND1 3.85Å; H77-H83 AromaticContact CE1-ND1 3.51Å; H77-H83 AromaticContact NE2-CE1 3.84Å; H77-H83 AromaticContact NE2-CG 3.85Å; H77-H83 AromaticContact NE2-ND1 2.91Å; H77-H83 PolarHBondContact NE2-ND1 2.97Å; H77-F86 AromaticContact CD2-CZ 4Å
78	S	93.5	Very high	91.6	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-61.8	-40.5	179	75.8	0	0	0	0	113	A74 Y75 I76 S82 H83	A74-S78 PolarHBondContact O-N 3.49Å; Y75-S78 PolarHBondContact O-N 3.13Å; Y75-S78 VanDerWaalsContact O-N 3.14Å; Y75-S78 PolarHBondContact O-OG 3.24Å; I76-S78 VanDerWaalsContact C-N 3.32Å; I76-S78 PolarHBondContact O-N 2.55Å; S78-S82 WeakPolarHBondContact O-CA 3.48Å; S78-S82 PolarHBondContact O-N 2.88Å; S78-S82 VanDerWaalsContact O-N 3.1Å; S78-H83 WeakPolarHBondContact CA-O 3.49Å; S78-H83 WeakPolarHBondContact CB-O 3.33Å; S78-H83 PolarHBondContact O-N 2.95Å
79	V	92.6	Very high	91.9	Very high	80 Å²	80	51.1 Å²	51.1	49%	0.485	27%	0.265	S	S	.	.	H	α-helix	trans	-78	-41.6	-179.4	178.7	0	0	0	0	111.4	Y75 I76 H77 P98	Y75-V79 HydrophobicContact CD1-CG2 4.37Å; Y75-V79 HydrophobicContact CE1-CG2 3.97Å; Y75-V79 PolarHBondContact O-N 3.17Å; I76-V79 PolarHBondContact O-N 3.36Å; H77-V79 VanDerWaalsContact C-N 3.33Å; H77-V79 PolarHBondContact O-N 2.89Å; V79-P98 HydrophobicContact CG2-CB 3.96Å; V79-P98 HydrophobicContact CG2-CG 4.17Å
80	Q	92.6	Very high	91.8	Very high	135 Å²	135	54.3 Å²	54.3	63%	0.631	27%	0.267	S	S	*	.	H	α-helix	trans	-71.4	-40.2	-176.7	-75.1	-178.3	-20.4	0	0	113.3	I76	I76-Q80 VanDerWaalsContact CG2-CD 3.43Å; I76-Q80 HydrophobicContact CG2-CG 4.03Å; I76-Q80 WeakPolarHBondContact O-CB 3.23Å; I76-Q80 WeakPolarHBondContact O-CG 3.35Å; I76-Q80 PolarHBondContact O-N 3.25Å
81	F	90.8	Very high	92	Very high	120 Å²	120	51.8 Å²	51.8	53%	0.526	26%	0.258	S	S	.	.	H	α-helix	trans	-107.6	2.7	-174.1	-63.1	-85.1	0	0	0	113	H77 H83	H77-F81 AromaticContact CE1-CD2 3.51Å; H77-F81 AromaticContact CE1-CG 3.81Å; H77-F81 AromaticContact ND1-CD2 3.12Å; H77-F81 WeakPolarHBondContact ND1-CD2 3.35Å; H77-F81 AromaticContact ND1-CE2 3.62Å; H77-F81 AromaticContact ND1-CG 3.88Å; H77-F81 PolarHBondContact O-N 3.44Å; F81-H83 PolarHBondContact O-CD2 3.21Å; F81-H83 PolarHBondContact O-N 3.04Å
82	S	91.8	Very high	92.1	Very high	79 Å²	79	44.8 Å²	44.8	55%	0.552	23%	0.23	S	C	*	.			trans	53.3	36.4	-175.3	-53.3	0	0	0	0	112.9	S78 H84	S78-S82 WeakPolarHBondContact O-CA 3.48Å; S78-S82 PolarHBondContact O-N 2.88Å; S78-S82 VanDerWaalsContact O-N 3.1Å; S82-H84 PolarHBondContact O-CD2 3.11Å; S82-H84 PolarHBondContact O-NE2 3.14Å
83	H	93.9	Very high	92.1	Very high	36 Å²	36	47.9 Å²	47.9	17%	0.167	24%	0.241	C	C	.	.			trans	-99	107.8	175.6	-66.6	166.4	0	0	0	109.1	C58 V60 H77 S78 F81 F86	C58-H83 VanDerWaalsContact SG-CB 3.56Å; V60-H83 HydrophobicContact CB-CB 4.16Å; V60-H83 VanDerWaalsContact CG1-CD2 3.42Å; V60-H83 WeakPolarHBondContact CG1-CD2 3.32Å; V60-H83 HydrophobicContact CG2-CB 4.09Å; H77-H83 AromaticContact CD2-ND1 3.85Å; H77-H83 AromaticContact CE1-ND1 3.51Å; H77-H83 AromaticContact NE2-CE1 3.84Å; H77-H83 AromaticContact NE2-CG 3.85Å; H77-H83 AromaticContact NE2-ND1 2.91Å; H77-H83 PolarHBondContact NE2-ND1 2.97Å; S78-H83 WeakPolarHBondContact CA-O 3.49Å; S78-H83 WeakPolarHBondContact CB-O 3.33Å; S78-H83 PolarHBondContact O-N 2.95Å; F81-H83 PolarHBondContact O-CD2 3.21Å; F81-H83 PolarHBondContact O-N 3.04Å; H83-F86 WeakPolarHBondContact O-CE2 3.47Å; H83-F86 WeakPolarHBondContact O-CZ 3.29Å
84	H	92.7	Very high	92.1	Very high	29 Å²	29	46 Å²	46	13%	0.134	23%	0.232	C	C	.	.			trans	-98.7	-22	-166.3	-62.6	-61.7	0	0	0	114.7	Y29 S82 F86 C96 L97	Y29-H84 HydrophobicContact CD1-CB 4.16Å; Y29-H84 AromaticContact CD1-CD2 3.54Å; Y29-H84 HydrophobicContact CD2-CB 3.77Å; Y29-H84 AromaticContact CE1-CD2 3.47Å; Y29-H84 VanDerWaalsContact CE1-CD2 3.47Å; Y29-H84 WeakPolarHBondContact CE1-CD2 3.32Å; Y29-H84 HydrophobicContact CE2-CB 4.23Å; Y29-H84 HydrophobicContact CG-CB 3.72Å; Y29-H84 AromaticContact CZ-CD2 3.93Å; S82-H84 PolarHBondContact O-CD2 3.11Å; S82-H84 PolarHBondContact O-NE2 3.14Å; H84-F86 WeakPolarHBondContact O-CD2 3.26Å; H84-C96 CarbonylContact O-C 3.59Å; H84-C96 VanDerWaalsContact O-CA 3.25Å; H84-C96 WeakPolarHBondContact O-CA 3.38Å; H84-L97 VanDerWaalsContact CA-O 3.23Å; H84-L97 WeakPolarHBondContact CA-O 3.23Å; H84-L97 WeakPolarHBondContact CB-O 3.44Å; H84-L97 PolarHBondContact ND1-O 2.72Å; H84-L97 PolarHBondContact O-N 2.79Å
85	V	93.6	Very high	92.2	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	122.7	-172.2	-166.9	0	0	0	0	111.6	Y29 I33 L59 I103	Y29-V85 WeakPolarHBondContact O-CG2 3.46Å; I33-V85 HydrophobicContact CD1-CG1 4.06Å; I33-V85 HydrophobicContact CG1-CB 4.27Å; I33-V85 HydrophobicContact CG1-CG1 4.25Å; I33-V85 HydrophobicContact CG1-CG2 4.26Å; L59-V85 HydrophobicContact CB-CB 4.3Å; L59-V85 HydrophobicContact CB-CG1 4.29Å; L59-V85 HydrophobicContact CD1-CG1 3.66Å; L59-V85 HydrophobicContact CG-CG1 4.2Å; L59-V85 PolarHBondContact N-O 2.99Å; V85-I103 HydrophobicContact CG1-CD1 3.8Å
86	F	94.1	Very high	92.1	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	145.1	-179.7	-64.5	-96.7	0	0	0	112.3	Y56 A57 C58 F65 A74 H77 H83 H84 F94 Y95 L97	Y56-F86 HydrophobicContact CD1-CB 4.21Å; A57-F86 CarbonylContact O-C 3.48Å; A57-F86 VanDerWaalsContact O-CA 3.28Å; A57-F86 WeakPolarHBondContact O-CA 3.41Å; C58-F86 HydrophobicContact CB-CD1 4.07Å; C58-F86 HydrophobicContact CB-CE1 3.78Å; F65-F86 HydrophobicContact CD2-CE1 4.31Å; A74-F86 HydrophobicContact CB-CD1 4.42Å; A74-F86 HydrophobicContact CB-CE1 4.25Å; A74-F86 WeakPolarHBondContact O-CZ 3.45Å; H77-F86 AromaticContact CD2-CZ 4Å; H83-F86 WeakPolarHBondContact O-CE2 3.47Å; H83-F86 WeakPolarHBondContact O-CZ 3.29Å; H84-F86 WeakPolarHBondContact O-CD2 3.26Å; F86-F94 CarbonylContact O-C 3.44Å; F86-F94 WeakPolarHBondContact O-CA 2.95Å; F86-Y95 PolarHBondContact N-O 2.75Å; F86-Y95 PolarHBondContact O-N 2.92Å; F86-L97 HydrophobicContact CD2-CB 3.87Å; F86-L97 HydrophobicContact CD2-CD1 3.73Å; F86-L97 HydrophobicContact CD2-CG 3.87Å; F86-L97 HydrophobicContact CE2-CB 3.76Å; F86-L97 HydrophobicContact CE2-CD1 3.93Å; F86-L97 HydrophobicContact CE2-CG 4.18Å; F86-L97 HydrophobicContact CG-CD1 4.1Å; F86-L97 HydrophobicContact CZ-CD1 4.45Å
87	L	94	Very high	92	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	126.2	172.7	170.1	59.8	0	0	0	110	F40 Y56 A57 L59 L89 F94 I111 L115	F40-L87 HydrophobicContact CE1-CD2 4.23Å; F40-L87 HydrophobicContact CZ-CD2 4.27Å; Y56-L87 CarbonylContact C-O 3.5Å; Y56-L87 VanDerWaalsContact CA-O 3.24Å; Y56-L87 WeakPolarHBondContact CA-O 3.49Å; A57-L87 HydrophobicContact CB-CB 4.5Å; A57-L87 PolarHBondContact N-O 3.22Å; A57-L87 PolarHBondContact O-N 3.41Å; L59-L87 HydrophobicContact CD2-CB 3.93Å; L59-L87 HydrophobicContact CG-CB 4.43Å; L87-L89 PolarHBondContact O-N 2.85Å; L87-F94 HydrophobicContact CB-CD1 4Å; L87-F94 HydrophobicContact CB-CE1 3.97Å; L87-F94 HydrophobicContact CD1-CD1 3.93Å; L87-F94 HydrophobicContact CD1-CE1 3.68Å; L87-F94 HydrophobicContact CD1-CE2 4.27Å; L87-F94 HydrophobicContact CD1-CG 4.34Å; L87-F94 HydrophobicContact CD1-CZ 3.84Å; L87-F94 HydrophobicContact CD2-CE1 4.1Å; L87-F94 HydrophobicContact CD2-CZ 4.45Å; L87-F94 HydrophobicContact CG-CD1 4.47Å; L87-F94 HydrophobicContact CG-CE1 4.13Å; L87-I111 HydrophobicContact CD2-CG2 3.81Å; L87-L115 HydrophobicContact CD2-CD2 3.79Å; L87-L115 HydrophobicContact CG-CD2 4.47Å
88	N	92.8	Very high	91.7	Very high	6 Å²	6	42.1 Å²	42.1	3%	0.032	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	118	169.1	-174.3	-48.4	0	0	0	110	Y56 H90 T91 L92 K93 Y95	Y56-N88 HydrophobicContact CD1-CB 4.02Å; Y56-N88 HydrophobicContact CE1-CB 3.71Å; Y56-N88 VanDerWaalsContact CZ-ND2 3.32Å; Y56-N88 PolarHBondContact OH-ND2 2.93Å; Y56-N88 VanDerWaalsContact OH-ND2 3.16Å; N88-H90 PolarHBondContact O-N 2.86Å; N88-H90 WeakPolarHBondContact OD1-CB 3.32Å; N88-H90 PolarHBondContact OD1-N 2.81Å; N88-T91 VanDerWaalsContact CB-OG1 3.3Å; N88-T91 WeakPolarHBondContact CB-OG1 3.37Å; N88-T91 PolarHBondContact OD1-N 3.46Å; N88-T91 VanDerWaalsContact OD1-N 3.08Å; N88-T91 PolarHBondContact OD1-OG1 3.03Å; N88-L92 VanDerWaalsContact O-CA 3.31Å; N88-L92 WeakPolarHBondContact O-CA 3.41Å; N88-L92 PolarHBondContact O-N 3.09Å; N88-K93 PolarHBondContact N-O 2.57Å; N88-Y95 HydrophobicContact CB-CD2 4.48Å; N88-Y95 HydrophobicContact CB-CE2 4.18Å
89	L	88.9	Confident	91.3	Very high	3 Å²	3	46.4 Å²	46.4	2%	0.016	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-10.8	-173.8	-65.5	174	0	0	0	114.6	F40 K44 A55 A57 Y64 L87 L115	F40-L89 HydrophobicContact CD1-CD2 4.24Å; F40-L89 HydrophobicContact CE1-CD2 4.34Å; K44-L89 HydrophobicContact CB-CD1 4.01Å; K44-L89 HydrophobicContact CD-CB 4.17Å; K44-L89 HydrophobicContact CG-CD1 4.1Å; A55-L89 HydrophobicContact CB-CD1 4.06Å; A55-L89 PolarHBondContact O-N 3.34Å; A55-L89 VanDerWaalsContact O-N 3.15Å; A57-L89 HydrophobicContact CB-CD1 4.43Å; A57-L89 HydrophobicContact CB-CD2 3.86Å; A57-L89 HydrophobicContact CB-CG 4.21Å; Y64-L89 HydrophobicContact CD1-CD1 4.09Å; Y64-L89 HydrophobicContact CD2-CD1 4.1Å; Y64-L89 HydrophobicContact CE1-CD1 4.1Å; Y64-L89 HydrophobicContact CE2-CD1 4.11Å; Y64-L89 HydrophobicContact CG-CD1 4.08Å; L87-L89 PolarHBondContact O-N 2.85Å; L89-L115 HydrophobicContact CD2-CD1 4.25Å; L89-L115 HydrophobicContact CD2-CD2 3.95Å
90	H	86.6	Confident	91.1	Very high	111 Å²	111	46.3 Å²	46.3	51%	0.514	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.5	-47.2	179	-63.6	84.9	0	0	0	111.9	H52 N88	H52-H90 PolarHBondContact O-CE1 3.01Å; N88-H90 PolarHBondContact O-N 2.86Å; N88-H90 WeakPolarHBondContact OD1-CB 3.32Å; N88-H90 PolarHBondContact OD1-N 2.81Å
91	T	89.3	Confident	91	Very high	77 Å²	77	40.9 Å²	40.9	47%	0.472	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-11.6	-176.7	60.1	0	0	0	0	113.4	N88 K93	N88-T91 VanDerWaalsContact CB-OG1 3.3Å; N88-T91 WeakPolarHBondContact CB-OG1 3.37Å; N88-T91 PolarHBondContact OD1-N 3.46Å; N88-T91 VanDerWaalsContact OD1-N 3.08Å; N88-T91 PolarHBondContact OD1-OG1 3.03Å; T91-K93 PolarHBondContact O-N 2.9Å
92	L	90.1	Very high	91	Very high	54 Å²	54	38 Å²	38	28%	0.283	20%	0.199	S	C	.	.			trans	59.6	22.9	-175.2	-49.9	176.5	0	0	0	113.3	N88 T112 L115	N88-L92 VanDerWaalsContact O-CA 3.31Å; N88-L92 WeakPolarHBondContact O-CA 3.41Å; N88-L92 PolarHBondContact O-N 3.09Å; L92-T112 HydrophobicContact CB-CG2 4.26Å; L92-T112 HydrophobicContact CD1-CG2 4.19Å; L92-L115 HydrophobicContact CD2-CD2 3.27Å; L92-L115 HydrophobicContact CD2-CG 3.95Å
93	K	91.8	Very high	90.9	Very high	81 Å²	81	34.5 Å²	34.5	35%	0.352	17%	0.174	S	C	.	.			trans	-96	140.8	177.9	-70.2	174.4	163.8	-105.2	0	110.8	N88 T91 Y95 E102	N88-K93 PolarHBondContact N-O 2.57Å; T91-K93 PolarHBondContact O-N 2.9Å; K93-Y95 HydrophobicContact CB-CD2 4.43Å; K93-Y95 HydrophobicContact CB-CE2 3.61Å; K93-E102 WeakPolarHBondContact CD-OE1 3.49Å; K93-E102 WeakPolarHBondContact CG-OE1 3.31Å; K93-E102 IonicContact NZ-OE1 2.79Å; K93-E102 PolarHBondContact NZ-OE1 3.3Å; K93-E102 IonicContact NZ-OE2 3.3Å; K93-E102 PolarHBondContact NZ-OE2 3.39Å
94	F	93.4	Very high	90.6	Very high	15 Å²	15	37.4 Å²	37.4	7%	0.066	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	143.3	177.7	-60	-87.5	0	0	0	110.6	L59 F86 L87 E102 I103 L108 I111 T112	L59-F94 HydrophobicContact CD1-CD1 3.8Å; L59-F94 HydrophobicContact CD1-CE1 3.8Å; F86-F94 CarbonylContact O-C 3.44Å; F86-F94 WeakPolarHBondContact O-CA 2.95Å; L87-F94 HydrophobicContact CB-CD1 4Å; L87-F94 HydrophobicContact CB-CE1 3.97Å; L87-F94 HydrophobicContact CD1-CD1 3.93Å; L87-F94 HydrophobicContact CD1-CE1 3.68Å; L87-F94 HydrophobicContact CD1-CE2 4.27Å; L87-F94 HydrophobicContact CD1-CG 4.34Å; L87-F94 HydrophobicContact CD1-CZ 3.84Å; L87-F94 HydrophobicContact CD2-CE1 4.1Å; L87-F94 HydrophobicContact CD2-CZ 4.45Å; L87-F94 HydrophobicContact CG-CD1 4.47Å; L87-F94 HydrophobicContact CG-CE1 4.13Å; F94-E102 CarbonylContact O-C 3.47Å; F94-E102 VanDerWaalsContact O-CA 3.3Å; F94-E102 WeakPolarHBondContact O-CA 3.48Å; F94-I103 HydrophobicContact CB-CB 3.9Å; F94-I103 PolarHBondContact O-N 2.8Å; F94-L108 HydrophobicContact CB-CD1 3.96Å; F94-L108 HydrophobicContact CD1-CB 4.39Å; F94-L108 HydrophobicContact CD1-CD1 3.85Å; F94-L108 HydrophobicContact CD2-CB 4.04Å; F94-L108 HydrophobicContact CD2-CD1 3.81Å; F94-L108 HydrophobicContact CE1-CB 3.98Å; F94-L108 HydrophobicContact CE1-CD1 4.27Å; F94-L108 HydrophobicContact CE1-CD2 4.46Å; F94-L108 HydrophobicContact CE1-CG 4.48Å; F94-L108 HydrophobicContact CE2-CB 3.62Å; F94-L108 HydrophobicContact CE2-CD1 4.27Å; F94-L108 HydrophobicContact CG-CB 4.41Å; F94-L108 HydrophobicContact CG-CD1 3.59Å; F94-L108 HydrophobicContact CZ-CB 3.59Å; F94-L108 HydrophobicContact CZ-CD1 4.48Å; F94-L108 WeakPolarHBondContact CZ-O 3.18Å; F94-I111 HydrophobicContact CE1-CB 4.43Å; F94-I111 HydrophobicContact CE1-CG2 4.24Å; F94-I111 HydrophobicContact CZ-CB 4.33Å; F94-I111 HydrophobicContact CZ-CG2 4.43Å; F94-T112 WeakPolarHBondContact CE2-OG1 3.17Å; F94-T112 WeakPolarHBondContact CZ-OG1 3.45Å
95	Y	93.2	Very high	90.3	Very high	21 Å²	21	38.4 Å²	38.4	8%	0.082	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	141.7	-179.5	-67.3	-88.9	0	0	0	110.4	Y56 R68 F86 N88 K93 Y101 E102	Y56-Y95 HydrophobicContact CD1-CD2 4.48Å; Y56-Y95 AromaticContact CE1-CD2 3.76Å; Y56-Y95 HydrophobicContact CE1-CD2 3.76Å; Y56-Y95 HydrophobicContact CE1-CE2 4.16Å; Y56-Y95 HydrophobicContact CE1-CG 4.43Å; R68-Y95 PolarHBondContact NH1-OH 2.84Å; F86-Y95 PolarHBondContact N-O 2.75Å; F86-Y95 PolarHBondContact O-N 2.92Å; N88-Y95 HydrophobicContact CB-CD2 4.48Å; N88-Y95 HydrophobicContact CB-CE2 4.18Å; K93-Y95 HydrophobicContact CB-CD2 4.43Å; K93-Y95 HydrophobicContact CB-CE2 3.61Å; Y95-Y101 VanDerWaalsContact CA-O 3.32Å; Y95-Y101 WeakPolarHBondContact CA-O 3.48Å; Y95-E102 HydrophobicContact CD1-CB 4.35Å; Y95-E102 HydrophobicContact CE1-CB 4.14Å
96	C	91.6	Very high	90	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	125.2	167.2	-169.4	0	0	0	0	109	H84 N100 Y101 I103	H84-C96 CarbonylContact O-C 3.59Å; H84-C96 VanDerWaalsContact O-CA 3.25Å; H84-C96 WeakPolarHBondContact O-CA 3.38Å; C96-N100 WeakPolarHBondContact O-CA 3.25Å; C96-N100 PolarHBondContact O-N 2.85Å; C96-Y101 HydrophobicContact CB-CD1 3.87Å; C96-Y101 HydrophobicContact CB-CD2 4.07Å; C96-Y101 HydrophobicContact CB-CE1 3.39Å; C96-Y101 HydrophobicContact CB-CE2 3.62Å; C96-Y101 HydrophobicContact CB-CG 4.18Å; C96-Y101 PolarHBondContact N-O 2.72Å; C96-Y101 PolarHBondContact SG-OH 3.12Å; C96-Y101 VanDerWaalsContact SG-OH 3.38Å; C96-I103 HydrophobicContact CB-CD1 3.93Å; C96-I103 HydrophobicContact CB-CG1 4.07Å
97	L	90.9	Very high	89.6	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.3	144.3	171.3	-62.6	177.9	0	0	0	109.2	R68 A74 H84 F86 N100	R68-L97 HydrophobicContact CB-CD1 4.48Å; R68-L97 HydrophobicContact CB-CD2 4.36Å; A74-L97 HydrophobicContact CB-CD1 3.96Å; H84-L97 VanDerWaalsContact CA-O 3.23Å; H84-L97 WeakPolarHBondContact CA-O 3.23Å; H84-L97 WeakPolarHBondContact CB-O 3.44Å; H84-L97 PolarHBondContact ND1-O 2.72Å; H84-L97 PolarHBondContact O-N 2.79Å; F86-L97 HydrophobicContact CD2-CB 3.87Å; F86-L97 HydrophobicContact CD2-CD1 3.73Å; F86-L97 HydrophobicContact CD2-CG 3.87Å; F86-L97 HydrophobicContact CE2-CB 3.76Å; F86-L97 HydrophobicContact CE2-CD1 3.93Å; F86-L97 HydrophobicContact CE2-CG 4.18Å; F86-L97 HydrophobicContact CG-CD1 4.1Å; F86-L97 HydrophobicContact CZ-CD1 4.45Å; L97-N100 HydrophobicContact CD2-CB 4.19Å
98	P	87.4	Confident	89.3	Confident	38 Å²	38	45.1 Å²	45.1	25%	0.247	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	cis	-81.9	-10.1	9.5	32.3	-36.4	0	0	0	115.4	Y75 V79 N100	Y75-P98 HydrophobicContact CD2-CB 4.11Å; Y75-P98 HydrophobicContact CE2-CB 3.39Å; V79-P98 HydrophobicContact CG2-CB 3.96Å; V79-P98 HydrophobicContact CG2-CG 4.17Å; P98-N100 PolarHBondContact O-N 2.79Å
99	D	86.4	Confident	89	Confident	90 Å²	90	51.1 Å²	51.1	48%	0.481	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-17.1	-173	-62.3	-32.4	0	0	0	115.1	Y101	D99-Y101 HydrophobicContact CB-CD1 3.53Å; D99-Y101 HydrophobicContact CB-CE1 3.57Å; D99-Y101 PolarHBondContact O-N 3.36Å
100	N	88	Confident	89	Confident	77 Å²	77	53.2 Å²	53.2	41%	0.412	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.8	37	170.6	-166.5	36.8	0	0	0	115.3	R68 C96 L97 P98	R68-N100 WeakPolarHBondContact CD-OD1 3.46Å; R68-N100 PolarHBondContact NE-OD1 3.45Å; C96-N100 WeakPolarHBondContact O-CA 3.25Å; C96-N100 PolarHBondContact O-N 2.85Å; L97-N100 HydrophobicContact CD2-CB 4.19Å; P98-N100 PolarHBondContact O-N 2.79Å
101	Y	89.4	Confident	89.1	Confident	22 Å²	22	48 Å²	48	9%	0.086	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	150.8	170	64.6	-92	0	0	0	111.9	R23 C27 Y95 C96 D99 I103	R23-Y101 HydrophobicContact CB-CD2 4.25Å; R23-Y101 HydrophobicContact CB-CE2 4.23Å; R23-Y101 HydrophobicContact CB-CG 4.42Å; R23-Y101 VanDerWaalsContact O-CE2 3.31Å; R23-Y101 WeakPolarHBondContact O-CE2 3.45Å; C27-Y101 HydrophobicContact CB-CE2 4.32Å; C27-Y101 PolarHBondContact SG-OH 3.19Å; C27-Y101 VanDerWaalsContact SG-OH 3.4Å; Y95-Y101 VanDerWaalsContact CA-O 3.32Å; Y95-Y101 WeakPolarHBondContact CA-O 3.48Å; C96-Y101 HydrophobicContact CB-CD1 3.87Å; C96-Y101 HydrophobicContact CB-CD2 4.07Å; C96-Y101 HydrophobicContact CB-CE1 3.39Å; C96-Y101 HydrophobicContact CB-CE2 3.62Å; C96-Y101 HydrophobicContact CB-CG 4.18Å; C96-Y101 PolarHBondContact N-O 2.72Å; C96-Y101 PolarHBondContact SG-OH 3.12Å; C96-Y101 VanDerWaalsContact SG-OH 3.38Å; D99-Y101 HydrophobicContact CB-CD1 3.53Å; D99-Y101 HydrophobicContact CB-CE1 3.57Å; D99-Y101 PolarHBondContact O-N 3.36Å; Y101-I103 HydrophobicContact CD2-CG1 4.37Å; Y101-I103 HydrophobicContact CE2-CG1 4Å
102	E	91.4	Very high	89.1	Confident	60 Å²	60	46 Å²	46	28%	0.28	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	133.4	174.5	-179.1	169.1	-178.4	0	0	109.7	S24 K93 F94 Y95 I104	S24-E102 WeakPolarHBondContact CA-O 3.42Å; S24-E102 WeakPolarHBondContact CB-O 3.31Å; S24-E102 PolarHBondContact OG-O 3.49Å; K93-E102 WeakPolarHBondContact CD-OE1 3.49Å; K93-E102 WeakPolarHBondContact CG-OE1 3.31Å; K93-E102 IonicContact NZ-OE1 2.79Å; K93-E102 PolarHBondContact NZ-OE1 3.3Å; K93-E102 IonicContact NZ-OE2 3.3Å; K93-E102 PolarHBondContact NZ-OE2 3.39Å; F94-E102 CarbonylContact O-C 3.47Å; F94-E102 VanDerWaalsContact O-CA 3.3Å; F94-E102 WeakPolarHBondContact O-CA 3.48Å; Y95-E102 HydrophobicContact CD1-CB 4.35Å; Y95-E102 HydrophobicContact CE1-CB 4.14Å; E102-I104 HydrophobicContact CG-CG1 4.28Å
103	I	89.1	Confident	89	Confident	4 Å²	4	44.9 Å²	44.9	2%	0.021	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	126.2	177.2	-56.1	165.1	0	0	0	108.3	C27 L30 V85 F94 C96 Y101 D105 L108	C27-I103 HydrophobicContact CB-CD1 4.32Å; C27-I103 HydrophobicContact CB-CG1 4.15Å; C27-I103 HydrophobicContact CB-CG2 3.93Å; L30-I103 HydrophobicContact CD2-CG2 4.07Å; V85-I103 HydrophobicContact CG1-CD1 3.8Å; F94-I103 HydrophobicContact CB-CB 3.9Å; F94-I103 PolarHBondContact O-N 2.8Å; C96-I103 HydrophobicContact CB-CD1 3.93Å; C96-I103 HydrophobicContact CB-CG1 4.07Å; Y101-I103 HydrophobicContact CD2-CG1 4.37Å; Y101-I103 HydrophobicContact CE2-CG1 4Å; I103-D105 HydrophobicContact CG2-CB 4.38Å; I103-L108 HydrophobicContact CB-CD1 4.47Å; I103-L108 HydrophobicContact CG2-CD1 3.8Å
104	I	88.1	Confident	88.8	Confident	97 Å²	97	41.8 Å²	41.8	50%	0.497	23%	0.226	S	C	.	.			trans	-122	98.8	178.8	-55.1	174.4	0	0	0	107.1	S24 E102	S24-I104 PolarHBondContact O-N 2.77Å; E102-I104 HydrophobicContact CG-CG1 4.28Å
105	D	86.6	Confident	88.6	Confident	51 Å²	51	41.8 Å²	41.8	27%	0.273	23%	0.226	S	C	.	.			trans	-146.2	135.5	-178.7	-164.9	-71.5	0	0	0	110.7	L30 I103 S107 L108	L30-D105 HydrophobicContact CD1-CB 4.1Å; L30-D105 WeakPolarHBondContact CD1-OD2 3.23Å; I103-D105 HydrophobicContact CG2-CB 4.38Å; D105-S107 PolarHBondContact O-N 2.85Å; D105-S107 WeakPolarHBondContact OD1-CB 3.49Å; D105-S107 PolarHBondContact OD1-N 3.31Å; D105-S107 PolarHBondContact OD1-OG 3.44Å; D105-L108 HydrophobicContact CB-CD1 4.22Å; D105-L108 HydrophobicContact CB-CG 4.34Å; D105-L108 PolarHBondContact O-N 3.18Å
106	S	86.4	Confident	88.3	Confident	89 Å²	89	44.4 Å²	44.4	62%	0.622	24%	0.238	S	C	*	.	G	3₁₀ helix	trans	-67.6	-23.1	-179.1	51.4	0	0	0	0	113.2	L108 E109	S106-L108 PolarHBondContact O-N 2.79Å; S106-E109 WeakPolarHBondContact O-CB 3.4Å; S106-E109 WeakPolarHBondContact O-CG 3.07Å; S106-E109 PolarHBondContact O-N 2.79Å
107	S	86.8	Confident	88.3	Confident	51 Å²	51	44.6 Å²	44.6	36%	0.357	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-67.5	-11.1	177.7	67.8	0	0	0	0	113.8	R35 D105	R35-S107 PolarHBondContact NH2-O 2.94Å; D105-S107 PolarHBondContact O-N 2.85Å; D105-S107 WeakPolarHBondContact OD1-CB 3.49Å; D105-S107 PolarHBondContact OD1-N 3.31Å; D105-S107 PolarHBondContact OD1-OG 3.44Å
108	L	87.6	Confident	88.3	Confident	1 Å²	1	48.4 Å²	48.4	1%	0.005	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-97.2	-6.1	179.5	-56.8	176.3	0	0	0	113	L30 I33 F94 I103 D105 S106 D110 I111 T112	L30-L108 HydrophobicContact CD2-CD1 4.09Å; L30-L108 HydrophobicContact CD2-CD2 4.11Å; L30-L108 HydrophobicContact CD2-CG 4.36Å; I33-L108 HydrophobicContact CD1-CD2 3.4Å; F94-L108 HydrophobicContact CB-CD1 3.96Å; F94-L108 HydrophobicContact CD1-CB 4.39Å; F94-L108 HydrophobicContact CD1-CD1 3.85Å; F94-L108 HydrophobicContact CD2-CB 4.04Å; F94-L108 HydrophobicContact CD2-CD1 3.81Å; F94-L108 HydrophobicContact CE1-CB 3.98Å; F94-L108 HydrophobicContact CE1-CD1 4.27Å; F94-L108 HydrophobicContact CE1-CD2 4.46Å; F94-L108 HydrophobicContact CE1-CG 4.48Å; F94-L108 HydrophobicContact CE2-CB 3.62Å; F94-L108 HydrophobicContact CE2-CD1 4.27Å; F94-L108 HydrophobicContact CG-CB 4.41Å; F94-L108 HydrophobicContact CG-CD1 3.59Å; F94-L108 HydrophobicContact CZ-CB 3.59Å; F94-L108 HydrophobicContact CZ-CD1 4.48Å; F94-L108 WeakPolarHBondContact CZ-O 3.18Å; I103-L108 HydrophobicContact CB-CD1 4.47Å; I103-L108 HydrophobicContact CG2-CD1 3.8Å; D105-L108 HydrophobicContact CB-CD1 4.22Å; D105-L108 HydrophobicContact CB-CG 4.34Å; D105-L108 PolarHBondContact O-N 3.18Å; S106-L108 PolarHBondContact O-N 2.79Å; L108-D110 PolarHBondContact O-N 2.83Å; L108-I111 HydrophobicContact CD2-CD1 4.21Å; L108-I111 PolarHBondContact O-N 3.24Å; L108-T112 PolarHBondContact O-N 2.97Å
109	E	86.6	Confident	88.4	Confident	132 Å²	132	47.8 Å²	47.8	62%	0.617	26%	0.256	S	S	*	.	H	α-helix	trans	-62.8	-29.3	179.7	-70.8	178.9	-170.4	0	0	112.4	S106 T112 Y113	S106-E109 WeakPolarHBondContact O-CB 3.4Å; S106-E109 WeakPolarHBondContact O-CG 3.07Å; S106-E109 PolarHBondContact O-N 2.79Å; E109-T112 PolarHBondContact O-N 2.84Å; E109-Y113 VanDerWaalsContact O-CB 3.24Å; E109-Y113 WeakPolarHBondContact O-CB 3.07Å; E109-Y113 PolarHBondContact O-N 2.77Å
110	D	87.8	Confident	88.6	Confident	47 Å²	47	47 Å²	47	25%	0.251	26%	0.255	S	S	.	.	H	α-helix	trans	-62.1	-44.4	174.8	65.7	-26.8	0	0	0	111.7	R35 L108 Y113 V114	R35-D110 IonicContact CZ-OD2 3.57Å; R35-D110 IonicContact NE-OD1 2.74Å; R35-D110 IonicContact NE-OD2 3.59Å; R35-D110 PolarHBondContact NE-OD2 3.12Å; R35-D110 IonicContact NH2-OD1 3.9Å; R35-D110 IonicContact NH2-OD2 2.75Å; L108-D110 PolarHBondContact O-N 2.83Å; D110-Y113 PolarHBondContact O-N 2.8Å; D110-V114 WeakPolarHBondContact O-CG2 3.49Å; D110-V114 PolarHBondContact O-N 3.28Å
111	I	88.7	Confident	88.7	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-64.4	-44.8	177.9	-62.6	173.2	0	0	0	110.4	I33 L38 F40 L59 L87 F94 L108 Y113 V114 L115 F212	I33-I111 HydrophobicContact CG2-CD1 3.99Å; L38-I111 HydrophobicContact CD1-CD1 3.95Å; L38-I111 HydrophobicContact CD1-CG1 4.13Å; L38-I111 HydrophobicContact CD1-CG2 4.34Å; F40-I111 HydrophobicContact CE2-CG2 3.82Å; F40-I111 HydrophobicContact CZ-CG2 3.58Å; L59-I111 HydrophobicContact CD1-CD1 3.86Å; L59-I111 HydrophobicContact CD2-CD1 4.44Å; L59-I111 HydrophobicContact CD2-CG2 4.28Å; L87-I111 HydrophobicContact CD2-CG2 3.81Å; F94-I111 HydrophobicContact CE1-CB 4.43Å; F94-I111 HydrophobicContact CE1-CG2 4.24Å; F94-I111 HydrophobicContact CZ-CB 4.33Å; F94-I111 HydrophobicContact CZ-CG2 4.43Å; L108-I111 HydrophobicContact CD2-CD1 4.21Å; L108-I111 PolarHBondContact O-N 3.24Å; I111-Y113 VanDerWaalsContact C-N 3.29Å; I111-Y113 PolarHBondContact O-N 3.2Å; I111-V114 PolarHBondContact O-N 3.41Å; I111-L115 WeakPolarHBondContact O-CB 3.49Å; I111-L115 PolarHBondContact O-N 2.98Å; I111-F212 HydrophobicContact CB-CZ 4.48Å; I111-F212 HydrophobicContact CG1-CE2 4.13Å; I111-F212 HydrophobicContact CG1-CZ 3.84Å
112	T	89.2	Confident	88.7	Confident	37 Å²	37	56.9 Å²	56.9	23%	0.227	30%	0.297	C	S	.	.	H	α-helix	trans	-60.8	-41.7	175.1	-60.1	0	0	0	0	111.5	L92 F94 L108 E109 L115 K116	L92-T112 HydrophobicContact CB-CG2 4.26Å; L92-T112 HydrophobicContact CD1-CG2 4.19Å; F94-T112 WeakPolarHBondContact CE2-OG1 3.17Å; F94-T112 WeakPolarHBondContact CZ-OG1 3.45Å; L108-T112 PolarHBondContact O-N 2.97Å; E109-T112 PolarHBondContact O-N 2.84Å; T112-L115 PolarHBondContact O-N 2.96Å; T112-K116 PolarHBondContact O-N 3.42Å
113	Y	89.1	Confident	88.6	Confident	30 Å²	30	58 Å²	58	12%	0.118	30%	0.302	C	S	.	.	H	α-helix	trans	-66.7	-37.4	178.8	-172.9	-96.8	0	0	0	112.3	E109 D110 I111 K116 P117 T118 N208 R210	E109-Y113 VanDerWaalsContact O-CB 3.24Å; E109-Y113 WeakPolarHBondContact O-CB 3.07Å; E109-Y113 PolarHBondContact O-N 2.77Å; D110-Y113 PolarHBondContact O-N 2.8Å; I111-Y113 VanDerWaalsContact C-N 3.29Å; I111-Y113 PolarHBondContact O-N 3.2Å; Y113-K116 CarbonylContact O-C 3.51Å; Y113-P117 WeakPolarHBondContact O-CA 3.41Å; Y113-P117 WeakPolarHBondContact O-CD 3.24Å; Y113-P117 VanDerWaalsContact O-CG 3.31Å; Y113-P117 WeakPolarHBondContact O-CG 3.28Å; Y113-T118 WeakPolarHBondContact CE2-O 3.41Å; Y113-T118 PolarHBondContact OH-O 3.19Å; Y113-N208 WeakPolarHBondContact CE1-OD1 3.39Å; Y113-R210 HydrophobicContact CD1-CB 4Å; Y113-R210 HydrophobicContact CD1-CG 4.33Å; Y113-R210 HydrophobicContact CE1-CB 3.99Å; Y113-R210 HydrophobicContact CE1-CG 4.06Å
114	V	88.3	Confident	88.6	Confident	16 Å²	16	58.3 Å²	58.3	10%	0.097	30%	0.304	C	S	.	.	H	α-helix	trans	-67.3	-41.2	173.9	175.9	0	0	0	0	111.4	F40 D110 I111 R210 F212	F40-V114 HydrophobicContact CD2-CB 4.46Å; F40-V114 HydrophobicContact CD2-CG1 3.94Å; F40-V114 HydrophobicContact CE2-CG1 4.48Å; D110-V114 WeakPolarHBondContact O-CG2 3.49Å; D110-V114 PolarHBondContact O-N 3.28Å; I111-V114 PolarHBondContact O-N 3.41Å; V114-R210 WeakPolarHBondContact CG2-O 3.24Å; V114-F212 HydrophobicContact CB-CD2 4.5Å; V114-F212 HydrophobicContact CB-CE2 4.27Å; V114-F212 HydrophobicContact CB-CZ 4.35Å; V114-F212 HydrophobicContact CG1-CD2 4.21Å; V114-F212 HydrophobicContact CG1-CE2 4.42Å; V114-F212 HydrophobicContact CG1-CG 4.48Å; V114-F212 HydrophobicContact CG2-CD1 3.81Å; V114-F212 HydrophobicContact CG2-CD2 4.23Å; V114-F212 HydrophobicContact CG2-CE1 3.63Å; V114-F212 HydrophobicContact CG2-CE2 4.06Å; V114-F212 HydrophobicContact CG2-CG 4.11Å; V114-F212 HydrophobicContact CG2-CZ 3.76Å
115	L	87.9	Confident	88.6	Confident	15 Å²	15	56.4 Å²	56.4	8%	0.079	30%	0.303	C	S	.	.	H	α-helix	trans	-66.1	-39.3	179.1	176.9	59.4	0	0	0	112.1	F40 L87 L89 L92 I111 T112	F40-L115 HydrophobicContact CB-CD1 3.72Å; F40-L115 HydrophobicContact CD1-CD1 3.88Å; F40-L115 HydrophobicContact CD2-CB 4.26Å; F40-L115 HydrophobicContact CG-CB 4.23Å; F40-L115 HydrophobicContact CG-CD1 3.87Å; L87-L115 HydrophobicContact CD2-CD2 3.79Å; L87-L115 HydrophobicContact CG-CD2 4.47Å; L89-L115 HydrophobicContact CD2-CD1 4.25Å; L89-L115 HydrophobicContact CD2-CD2 3.95Å; L92-L115 HydrophobicContact CD2-CD2 3.27Å; L92-L115 HydrophobicContact CD2-CG 3.95Å; I111-L115 WeakPolarHBondContact O-CB 3.49Å; I111-L115 PolarHBondContact O-N 2.98Å; T112-L115 PolarHBondContact O-N 2.96Å
116	K	87.9	Confident	88.7	Confident	76 Å²	76	57.1 Å²	57.1	33%	0.33	31%	0.306	S	S	.	.	S	Bend	trans	-138.2	83.6	176.2	-169	175.5	178.3	175.8	0	110.6	T112 Y113 E178	T112-K116 PolarHBondContact O-N 3.42Å; Y113-K116 CarbonylContact O-C 3.51Å; K116-E178 WeakPolarHBondContact CE-OE2 3.37Å; K116-E178 IonicContact NZ-OE1 3.86Å; K116-E178 PolarHBondContact NZ-OE1 2.71Å; K116-E178 IonicContact NZ-OE2 3.39Å; K116-E178 PolarHBondContact NZ-OE2 3.44Å
117	P	91.1	Very high	88.8	Confident	4 Å²	4	54.1 Å²	54.1	3%	0.026	28%	0.283	C	S	.	.			trans	-64.1	142.4	178.8	-16.8	28.5	0	0	0	109.8	Y113 F119 R204 K205 N208	Y113-P117 WeakPolarHBondContact O-CA 3.41Å; Y113-P117 WeakPolarHBondContact O-CD 3.24Å; Y113-P117 VanDerWaalsContact O-CG 3.31Å; Y113-P117 WeakPolarHBondContact O-CG 3.28Å; P117-F119 HydrophobicContact CB-CE2 4.1Å; P117-R204 HydrophobicContact CB-CB 4.21Å; P117-R204 VanDerWaalsContact O-CD 3.24Å; P117-R204 WeakPolarHBondContact O-CD 3.3Å; P117-K205 HydrophobicContact CG-CG 4.43Å; P117-N208 HydrophobicContact CB-CB 4.32Å; P117-N208 HydrophobicContact CG-CB 4.26Å
118	T	89.9	Confident	88.6	Confident	80 Å²	80	53.8 Å²	53.8	49%	0.491	28%	0.277	S	S	.	.			trans	-130.2	144.2	178.4	52.3	0	0	0	0	109.4	Y113	Y113-T118 WeakPolarHBondContact CE2-O 3.41Å; Y113-T118 PolarHBondContact OH-O 3.19Å
119	F	90.6	Very high	88.6	Confident	24 Å²	24	61.6 Å²	61.6	11%	0.105	31%	0.311	C	S	.	.			trans	-126.5	135.2	-176.3	-66.8	-95.9	0	0	0	110.3	P117 I124 L176 R204 W207	P117-F119 HydrophobicContact CB-CE2 4.1Å; F119-I124 HydrophobicContact CB-CD1 3.98Å; F119-I124 HydrophobicContact CB-CG1 3.78Å; F119-L176 HydrophobicContact CB-CB 4.49Å; F119-L176 HydrophobicContact CD2-CB 4.42Å; F119-L176 HydrophobicContact CD2-CD2 3.95Å; F119-L176 HydrophobicContact CE2-CD2 3.86Å; F119-L176 HydrophobicContact CG-CB 4.49Å; F119-L176 HydrophobicContact CG-CD2 4.43Å; F119-L176 HydrophobicContact CZ-CD2 4.25Å; F119-R204 HydrophobicContact CD2-CB 4.35Å; F119-R204 HydrophobicContact CD2-CG 3.88Å; F119-R204 HydrophobicContact CE2-CB 3.8Å; F119-R204 HydrophobicContact CE2-CG 3.81Å; F119-R204 WeakPolarHBondContact CE2-O 3.12Å; F119-W207 HydrophobicContact CE1-CB 4.42Å; F119-W207 WeakPolarHBondContact CE1-O 2.78Å; F119-W207 HydrophobicContact CZ-CB 4.15Å; F119-W207 VanDerWaalsContact CZ-O 3.28Å; F119-W207 WeakPolarHBondContact CZ-O 3.28Å
120	T	91.2	Very high	88.2	Confident	75 Å²	75	60.3 Å²	60.3	46%	0.46	31%	0.305	S	S	.	.			trans	-86.6	154.9	170.8	62.6	0	0	0	0	110.5	Q122 Q123 I124	T120-Q122 PolarHBondContact O-N 3.06Å; T120-Q123 WeakPolarHBondContact O-CB 3.4Å; T120-Q123 PolarHBondContact O-N 3.07Å; T120-Q123 WeakPolarHBondContact OG1-CB 3.07Å; T120-Q123 VanDerWaalsContact OG1-CD 3.23Å; T120-Q123 VanDerWaalsContact OG1-CG 3.23Å; T120-Q123 WeakPolarHBondContact OG1-CG 3.36Å; T120-Q123 PolarHBondContact OG1-N 2.74Å; T120-Q123 PolarHBondContact OG1-OE1 3.49Å; T120-I124 WeakPolarHBondContact O-CG1 3.31Å; T120-I124 PolarHBondContact O-N 2.86Å
121	K	89.2	Confident	87.9	Confident	150 Å²	150	60.7 Å²	60.7	65%	0.652	32%	0.315	S	S	*	.	H	α-helix	trans	-55.1	-36.8	177.5	-66.9	-175.2	176.4	-178.8	0	113.2	I124 A125 E177	K121-I124 PolarHBondContact O-N 3.03Å; K121-A125 WeakPolarHBondContact O-CB 3.37Å; K121-A125 PolarHBondContact O-N 3.26Å; K121-E177 WeakPolarHBondContact CE-OE1 3.29Å; K121-E177 IonicContact NZ-OE1 3.7Å
122	Q	89	Confident	87.7	Confident	155 Å²	155	68 Å²	68	72%	0.724	35%	0.347	S	S	*	.	H	α-helix	trans	-67.8	-41.5	177.1	-68.5	-179.1	-10.8	0	0	112.1	T120 A125 N126	T120-Q122 PolarHBondContact O-N 3.06Å; Q122-A125 PolarHBondContact O-N 3.31Å; Q122-N126 PolarHBondContact O-N 3.14Å; Q122-N126 PolarHBondContact O-ND2 3.11Å
123	Q	88.9	Confident	87.6	Confident	83 Å²	83	71.2 Å²	71.2	39%	0.388	36%	0.362	S	S	.	.	H	α-helix	trans	-62.4	-46.4	174.6	-74.5	164.8	-28.9	0	0	110.8	T120 A125 N126 L127	T120-Q123 WeakPolarHBondContact O-CB 3.4Å; T120-Q123 PolarHBondContact O-N 3.07Å; T120-Q123 WeakPolarHBondContact OG1-CB 3.07Å; T120-Q123 VanDerWaalsContact OG1-CD 3.23Å; T120-Q123 VanDerWaalsContact OG1-CG 3.23Å; T120-Q123 WeakPolarHBondContact OG1-CG 3.36Å; T120-Q123 PolarHBondContact OG1-N 2.74Å; T120-Q123 PolarHBondContact OG1-OE1 3.49Å; Q123-A125 VanDerWaalsContact C-N 3.33Å; Q123-A125 PolarHBondContact O-N 2.98Å; Q123-N126 PolarHBondContact O-N 3.49Å; Q123-N126 VanDerWaalsContact O-N 3.08Å; Q123-L127 WeakPolarHBondContact O-CG 3.41Å; Q123-L127 PolarHBondContact O-N 3Å; Q123-L127 VanDerWaalsContact O-N 3.16Å
124	I	90	Very high	87.6	Confident	11 Å²	11	70.3 Å²	70.3	6%	0.056	36%	0.36	C	S	.	.	H	α-helix	trans	-58.2	-44.7	179.5	-64.1	170.8	0	0	0	111.1	F119 T120 K121 N126 L127 N173 L176 E177	F119-I124 HydrophobicContact CB-CD1 3.98Å; F119-I124 HydrophobicContact CB-CG1 3.78Å; T120-I124 WeakPolarHBondContact O-CG1 3.31Å; T120-I124 PolarHBondContact O-N 2.86Å; K121-I124 PolarHBondContact O-N 3.03Å; I124-N126 PolarHBondContact O-N 2.84Å; I124-L127 PolarHBondContact O-N 3.24Å; I124-N173 HydrophobicContact CG2-CB 3.66Å; I124-N173 VanDerWaalsContact CG2-OD1 3.23Å; I124-N173 WeakPolarHBondContact CG2-OD1 3.48Å; I124-L176 HydrophobicContact CD1-CB 3.89Å; I124-L176 HydrophobicContact CG1-CB 4.22Å; I124-L176 HydrophobicContact CG1-CD1 4.18Å; I124-L176 HydrophobicContact CG2-CD1 4.47Å; I124-E177 HydrophobicContact CD1-CB 4.35Å
125	A	87.7	Confident	87.7	Confident	58 Å²	58	78.4 Å²	78.4	48%	0.479	39%	0.389	S	S	.	.	H	α-helix	trans	-65.8	-25	178.8	0	0	0	0	0	113.7	K121 Q122 Q123	K121-A125 WeakPolarHBondContact O-CB 3.37Å; K121-A125 PolarHBondContact O-N 3.26Å; Q122-A125 PolarHBondContact O-N 3.31Å; Q123-A125 VanDerWaalsContact C-N 3.33Å; Q123-A125 PolarHBondContact O-N 2.98Å
126	N	89.1	Confident	87.7	Confident	65 Å²	65	78 Å²	78	35%	0.348	39%	0.388	S	S	.	.	H	α-helix	trans	-90.7	-12.7	-179.7	-72.5	-26.7	0	0	0	113.5	Q122 Q123 I124 D128 K129 Q130	Q122-N126 PolarHBondContact O-N 3.14Å; Q122-N126 PolarHBondContact O-ND2 3.11Å; Q123-N126 PolarHBondContact O-N 3.49Å; Q123-N126 VanDerWaalsContact O-N 3.08Å; I124-N126 PolarHBondContact O-N 2.84Å; N126-D128 VanDerWaalsContact C-N 3.29Å; N126-D128 PolarHBondContact O-N 2.75Å; N126-K129 PolarHBondContact O-N 3.22Å; N126-Q130 HydrophobicContact CB-CG 4.37Å; N126-Q130 WeakPolarHBondContact O-CB 3.39Å; N126-Q130 WeakPolarHBondContact O-CG 3.48Å; N126-Q130 PolarHBondContact O-N 3.47Å; N126-Q130 VanDerWaalsContact O-N 3.07Å
127	L	87.4	Confident	87.6	Confident	27 Å²	27	80.7 Å²	80.7	14%	0.141	40%	0.397	C	S	.	.	H	α-helix	trans	-57.1	-41.6	-178.8	-71.6	176.5	0	0	0	112.4	Q123 I124 K129 L176 W207	Q123-L127 WeakPolarHBondContact O-CG 3.41Å; Q123-L127 PolarHBondContact O-N 3Å; Q123-L127 VanDerWaalsContact O-N 3.16Å; I124-L127 PolarHBondContact O-N 3.24Å; L127-K129 VanDerWaalsContact C-N 3.25Å; L127-K129 PolarHBondContact O-N 3.08Å; L127-L176 HydrophobicContact CD1-CD1 3.55Å; L127-W207 HydrophobicContact CB-CE3 4.39Å; L127-W207 HydrophobicContact CB-CZ3 4.27Å; L127-W207 HydrophobicContact CD1-CD2 4.47Å; L127-W207 HydrophobicContact CD1-CE3 3.97Å; L127-W207 HydrophobicContact CD2-CE3 4.11Å; L127-W207 HydrophobicContact CG-CE3 4.38Å
128	D	83.8	Confident	87.2	Confident	43 Å²	43	85.2 Å²	85.2	23%	0.23	42%	0.421	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-8.4	-178.5	-60.4	-40.2	0	0	0	113.4	N126 R172 H443 G444	N126-D128 VanDerWaalsContact C-N 3.29Å; N126-D128 PolarHBondContact O-N 2.75Å; D128-R172 IonicContact OD1-CZ 3.74Å; D128-R172 VanDerWaalsContact OD1-CZ 3.26Å; D128-R172 IonicContact OD1-NH1 3.61Å; D128-R172 PolarHBondContact OD1-NH1 3.41Å; D128-R172 IonicContact OD1-NH2 3.88Å; D128-R172 PolarHBondContact OD1-NH2 3.16Å; D128-R172 IonicContact OD2-CZ 3.85Å; D128-R172 IonicContact OD2-NH1 3.4Å; D128-R172 IonicContact OD2-NH2 2.73Å; D128-R172 PolarHBondContact OD2-NH2 3.06Å; D128-H443 HydrophobicContact CB-CB 4.05Å; D128-H443 CarbonylContact O-C 3.54Å; D128-H443 IonicContact OD1-CD2 3.53Å; D128-H443 IonicContact OD1-CG 3Å; D128-G444 WeakPolarHBondContact O-CA 3.36Å; D128-G444 PolarHBondContact O-N 2.76Å
129	K	86.3	Confident	86.9	Confident	165 Å²	165	82.6 Å²	82.6	72%	0.717	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106	-19.1	-177.9	-61.7	-177.1	-179.8	-178.2	0	113	N126 L127	N126-K129 PolarHBondContact O-N 3.22Å; L127-K129 VanDerWaalsContact C-N 3.25Å; L127-K129 PolarHBondContact O-N 3.08Å
130	Q	79.9	Confident	86.8	Confident	105 Å²	105	84.2 Å²	84.2	49%	0.491	42%	0.422	S	S	.	.			trans	-103.6	129.9	-172.4	-69.7	-175.8	-7.7	0	0	111.4	N126	N126-Q130 HydrophobicContact CB-CG 4.37Å; N126-Q130 WeakPolarHBondContact O-CB 3.39Å; N126-Q130 WeakPolarHBondContact O-CG 3.48Å; N126-Q130 PolarHBondContact O-N 3.47Å; N126-Q130 VanDerWaalsContact O-N 3.07Å
131	A	80.1	Confident	86.8	Confident	55 Å²	55	85.1 Å²	85.1	46%	0.455	43%	0.427	S	S	.	.			trans	-100.4	37.6	174	0	0	0	0	0	112	L133 T445	A131-L133 PolarHBondContact O-N 3.49Å; A131-T445 HydrophobicContact CB-CG2 3.38Å
132	K	85.5	Confident	86.9	Confident	155 Å²	155	78.5 Å²	78.5	67%	0.674	40%	0.398	S	S	*	.			trans	-82.4	112.5	-172.5	-172.1	175.6	179	179.1	0	111.2	S134	K132-S134 PolarHBondContact O-N 3.49Å
133	L	87	Confident	87.1	Confident	103 Å²	103	71.7 Å²	71.7	54%	0.539	37%	0.367	S	S	.	.			trans	-62	129.5	166.5	-72.5	165.8	0	0	0	110.1	A131 L143	A131-L133 PolarHBondContact O-N 3.49Å; L133-L143 HydrophobicContact CD2-CD2 3.58Å; L133-L143 HydrophobicContact CD2-CG 3.66Å; L133-L143 HydrophobicContact CG-CD2 4.01Å
134	S	89.2	Confident	87.2	Confident	12 Å²	12	68.5 Å²	68.5	8%	0.084	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	152.2	172.2	-61.8	0	0	0	0	109.2	K132 T141 Y142 P209	K132-S134 PolarHBondContact O-N 3.49Å; S134-T141 CarbonylContact O-C 3.53Å; S134-T141 VanDerWaalsContact O-CA 3.29Å; S134-T141 WeakPolarHBondContact O-CA 3.11Å; S134-Y142 PolarHBondContact N-O 2.83Å; S134-Y142 PolarHBondContact O-N 2.72Å; S134-P209 VanDerWaalsContact CB-O 3.32Å; S134-P209 WeakPolarHBondContact CB-O 3.29Å; S134-P209 WeakPolarHBondContact OG-CA 3.29Å; S134-P209 PolarHBondContact OG-O 3.25Å
135	R	90	Very high	87.2	Confident	185 Å²	185	68 Å²	68	70%	0.698	35%	0.35	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.1	122.6	-178.8	-166.6	177.9	-175.3	-165.4	-4.7	109.2	G139 T140	R135-G139 PolarHBondContact NE-O 3.33Å; R135-T140 WeakPolarHBondContact CA-O 3.11Å
136	A	88.5	Confident	87.5	Confident	6 Å²	6	65.4 Å²	65.4	5%	0.05	33%	0.329	C	S	.	.			trans	-75.2	168.2	172	0	0	0	0	0	110.8	D138 G139 T140 Y142	A136-D138 VanDerWaalsContact C-N 3.29Å; A136-D138 VanDerWaalsContact CB-OD1 3.29Å; A136-D138 WeakPolarHBondContact CB-OD1 3.38Å; A136-D138 PolarHBondContact O-N 3Å; A136-G139 PolarHBondContact O-N 3.05Å; A136-T140 WeakPolarHBondContact CB-OG1 3.21Å; A136-T140 PolarHBondContact N-O 3.16Å; A136-Y142 HydrophobicContact CB-CD1 4.19Å; A136-Y142 HydrophobicContact CB-CE1 4.13Å
137	Y	84.4	Confident	87.7	Confident	134 Å²	134	62.4 Å²	62.4	53%	0.525	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-27.8	-174	-162.3	-90.6	0	0	0	112.7	R35 G139 F212	R35-Y137 HydrophobicContact CB-CD1 4.37Å; R35-Y137 HydrophobicContact CB-CD2 4.06Å; R35-Y137 HydrophobicContact CB-CE1 4.31Å; R35-Y137 HydrophobicContact CB-CE2 4Å; R35-Y137 HydrophobicContact CB-CG 4.25Å; R35-Y137 HydrophobicContact CG-CE2 4.47Å; Y137-G139 PolarHBondContact O-N 3.19Å; Y137-F212 PolarHBondContact N-O 3.15Å
138	D	82.8	Confident	87.9	Confident	98 Å²	98	61.1 Å²	61.1	52%	0.524	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-2	171.8	62.6	4.7	0	0	0	113.5	A136 T140	A136-D138 VanDerWaalsContact C-N 3.29Å; A136-D138 VanDerWaalsContact CB-OD1 3.29Å; A136-D138 WeakPolarHBondContact CB-OD1 3.38Å; A136-D138 PolarHBondContact O-N 3Å; D138-T140 VanDerWaalsContact C-N 3.32Å; D138-T140 VanDerWaalsContact OD1-CB 3.29Å; D138-T140 WeakPolarHBondContact OD1-CB 3.26Å; D138-T140 WeakPolarHBondContact OD1-CG2 3.46Å; D138-T140 PolarHBondContact OD1-N 3.48Å; D138-T140 PolarHBondContact OD1-OG1 3.38Å; D138-T140 PolarHBondContact OD2-OG1 3.06Å
139	G	84.6	Confident	88.3	Confident	26 Å²	26	59.1 Å²	59.1	27%	0.268	30%	0.295	S	S	.	.	S	Bend	trans	87.7	-5.2	-179	0	0	0	0	0	114.3	R135 A136 Y137	R135-G139 PolarHBondContact NE-O 3.33Å; A136-G139 PolarHBondContact O-N 3.05Å; Y137-G139 PolarHBondContact O-N 3.19Å
140	T	88.1	Confident	88.5	Confident	57 Å²	57	53.5 Å²	53.5	35%	0.35	27%	0.273	S	S	.	.			trans	-66.8	138.5	176.5	62	0	0	0	0	110.7	R135 A136 D138 A214	R135-T140 WeakPolarHBondContact CA-O 3.11Å; A136-T140 WeakPolarHBondContact CB-OG1 3.21Å; A136-T140 PolarHBondContact N-O 3.16Å; D138-T140 VanDerWaalsContact C-N 3.32Å; D138-T140 VanDerWaalsContact OD1-CB 3.29Å; D138-T140 WeakPolarHBondContact OD1-CB 3.26Å; D138-T140 WeakPolarHBondContact OD1-CG2 3.46Å; D138-T140 PolarHBondContact OD1-N 3.48Å; D138-T140 PolarHBondContact OD1-OG1 3.38Å; D138-T140 PolarHBondContact OD2-OG1 3.06Å; T140-A214 WeakPolarHBondContact OG1-CB 3.4Å
141	T	91.3	Very high	88.8	Confident	94 Å²	94	50.4 Å²	50.4	58%	0.577	26%	0.26	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.3	136.5	176.2	54.3	0	0	0	0	109.9	S134	S134-T141 CarbonylContact O-C 3.53Å; S134-T141 VanDerWaalsContact O-CA 3.29Å; S134-T141 WeakPolarHBondContact O-CA 3.11Å
142	Y	92.3	Very high	88.8	Confident	11 Å²	11	51 Å²	51	4%	0.043	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	159.2	179.2	72.1	-87.9	0	0	0	111	S134 A136 V147 N208 P209 R210 N211 A214	S134-Y142 PolarHBondContact N-O 2.83Å; S134-Y142 PolarHBondContact O-N 2.72Å; A136-Y142 HydrophobicContact CB-CD1 4.19Å; A136-Y142 HydrophobicContact CB-CE1 4.13Å; Y142-V147 HydrophobicContact CD2-CG1 3.37Å; Y142-V147 HydrophobicContact CE2-CG1 3.99Å; Y142-V147 HydrophobicContact CG-CG1 4.12Å; Y142-N208 WeakPolarHBondContact CE2-O 3.27Å; Y142-N208 PolarHBondContact OH-O 3.08Å; Y142-P209 PolarHBondContact OH-O 2.81Å; Y142-R210 PolarHBondContact OH-N 3.48Å; Y142-N211 HydrophobicContact CE1-CB 4.3Å; Y142-N211 WeakPolarHBondContact OH-CB 3.37Å; Y142-N211 PolarHBondContact OH-N 3.39Å; Y142-A214 HydrophobicContact CD1-CB 4.05Å; Y142-A214 HydrophobicContact CG-CB 4.17Å
143	L	92	Very high	88.6	Confident	12 Å²	12	50.5 Å²	50.5	6%	0.063	25%	0.252	C	S	.	.	B	Isolated β-bridge	trans	-99.7	128.1	172.6	-72.4	170.6	0	0	0	109.1	L133 G145 I146 Y449	L133-L143 HydrophobicContact CD2-CD2 3.58Å; L133-L143 HydrophobicContact CD2-CG 3.66Å; L133-L143 HydrophobicContact CG-CD2 4.01Å; L143-G145 PolarHBondContact O-N 3.04Å; L143-I146 HydrophobicContact CB-CB 4.05Å; L143-I146 HydrophobicContact CB-CG1 4.27Å; L143-I146 CarbonylContact O-C 3.52Å; L143-I146 WeakPolarHBondContact O-CA 3.3Å; L143-I146 PolarHBondContact O-N 3.32Å; L143-I146 VanDerWaalsContact O-O 3.12Å; L143-Y449 HydrophobicContact CD1-CE1 4.16Å; L143-Y449 HydrophobicContact CD1-CE2 4.01Å; L143-Y449 VanDerWaalsContact CD1-OH 3.25Å; L143-Y449 WeakPolarHBondContact CD1-OH 3.23Å
144	P	91.4	Very high	88.5	Confident	16 Å²	16	46.1 Å²	46.1	10%	0.104	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	132.9	172.6	-25.7	35.5	0	0	0	111.1	I146 W207 P209	P144-I146 PolarHBondContact O-N 3.25Å; P144-W207 HydrophobicContact CB-CE3 4.4Å; P144-P209 HydrophobicContact CG-CB 4.1Å
145	G	89.8	Confident	88.5	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.6	-17.5	-174.5	0	0	0	0	0	115.2	L143 L206	L143-G145 PolarHBondContact O-N 3.04Å; G145-L206 PolarHBondContact N-O 3.29Å
146	I	93.3	Very high	88.6	Confident	5 Å²	5	37 Å²	37	3%	0.026	20%	0.195	C	C	.	.	B	Isolated β-bridge	trans	-116.2	73.2	173.4	-46.3	-65.3	0	0	0	108.2	L143 P144 V440 H442 Y449 L451 V456	L143-I146 HydrophobicContact CB-CB 4.05Å; L143-I146 HydrophobicContact CB-CG1 4.27Å; L143-I146 CarbonylContact O-C 3.52Å; L143-I146 WeakPolarHBondContact O-CA 3.3Å; L143-I146 PolarHBondContact O-N 3.32Å; L143-I146 VanDerWaalsContact O-O 3.12Å; P144-I146 PolarHBondContact O-N 3.25Å; I146-V440 HydrophobicContact CD1-CB 4.29Å; I146-V440 HydrophobicContact CD1-CG1 3.76Å; I146-H442 HydrophobicContact CD1-CB 4.14Å; I146-H442 HydrophobicContact CG1-CB 4.06Å; I146-Y449 HydrophobicContact CD1-CD2 4.33Å; I146-Y449 HydrophobicContact CG1-CD2 4.23Å; I146-Y449 HydrophobicContact CG2-CD1 3.84Å; I146-Y449 HydrophobicContact CG2-CD2 4.06Å; I146-Y449 HydrophobicContact CG2-CG 3.56Å; I146-L451 HydrophobicContact CG2-CD1 4.5Å; I146-L451 HydrophobicContact CG2-CD2 4.19Å; I146-L451 HydrophobicContact CG2-CG 4.5Å; I146-V456 HydrophobicContact CG2-CG1 3.65Å
147	V	93.1	Very high	88.8	Confident	1 Å²	1	36.9 Å²	36.9	1%	0.006	19%	0.194	C	C	.	.			trans	-130.2	149.2	-179.5	-64.8	0	0	0	0	110	Y142 Q163 L206 V216 L451	Y142-V147 HydrophobicContact CD2-CG1 3.37Å; Y142-V147 HydrophobicContact CE2-CG1 3.99Å; Y142-V147 HydrophobicContact CG-CG1 4.12Å; V147-Q163 PolarHBondContact O-NE2 3.48Å; V147-L206 HydrophobicContact CG2-CB 4.49Å; V147-L206 HydrophobicContact CG2-CD2 3.4Å; V147-V216 HydrophobicContact CG2-CG2 4.23Å; V147-L451 WeakPolarHBondContact O-CD2 3.36Å
148	G	92.1	Very high	89.3	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	145.2	177.7	0	0	0	0	0	112.4	H215 V216 D453	G148-H215 VanDerWaalsContact O-CA 3.3Å; G148-H215 WeakPolarHBondContact O-CA 3.48Å; G148-H215 WeakPolarHBondContact O-CB 3.36Å; G148-V216 PolarHBondContact O-N 3.49Å; G148-D453 CarbonylContact C-O 3.54Å; G148-D453 WeakPolarHBondContact CA-O 3.47Å
149	L	92.7	Very high	89.9	Confident	2 Å²	2	26.1 Å²	26.1	1%	0.01	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	133.7	169.7	-78.3	177.2	0	0	0	110.6	N151 N159 Q163 L202 L206 V216 P218 D453	L149-N151 PolarHBondContact O-N 3.18Å; L149-N159 HydrophobicContact CB-CB 4.1Å; L149-N159 HydrophobicContact CD1-CB 3.91Å; L149-Q163 HydrophobicContact CD1-CG 3.67Å; L149-Q163 HydrophobicContact CG-CG 4.33Å; L149-L202 HydrophobicContact CD2-CD1 4.17Å; L149-L206 HydrophobicContact CD2-CD2 3.81Å; L149-L206 HydrophobicContact CG-CD2 4.27Å; L149-V216 VanDerWaalsContact CA-O 3.32Å; L149-V216 WeakPolarHBondContact CA-O 3.46Å; L149-V216 HydrophobicContact CD2-CB 4.09Å; L149-V216 HydrophobicContact CD2-CG1 4.36Å; L149-V216 WeakPolarHBondContact CD2-O 3.23Å; L149-P218 HydrophobicContact CB-CG 4.46Å; L149-P218 HydrophobicContact CD2-CB 4.2Å; L149-P218 HydrophobicContact CD2-CG 4.16Å; L149-D453 PolarHBondContact N-O 3.45Å; L149-D453 CarbonylContact O-C 3.47Å; L149-D453 VanDerWaalsContact O-CA 3.23Å; L149-D453 WeakPolarHBondContact O-CA 3.21Å
150	N	90.3	Very high	90.4	Very high	47 Å²	47	25.1 Å²	25.1	25%	0.251	14%	0.135	S	C	.	.			trans	-65.3	128.3	178.6	-164.4	13.5	0	0	0	111.4	N155 N159 V216 P218 L454	N150-N155 PolarHBondContact O-ND2 3.05Å; N150-N159 PolarHBondContact O-ND2 2.83Å; N150-V216 PolarHBondContact N-O 2.95Å; N150-P218 WeakPolarHBondContact O-CD 3.03Å; N150-L454 HydrophobicContact CB-CD2 4.15Å
151	N	86.1	Confident	90.8	Very high	40 Å²	40	22.5 Å²	22.5	21%	0.214	12%	0.118	C	C	.	.			trans	-92.4	106.3	168.6	-173.4	-2.5	0	0	0	108.3	L149 K153 A154 N155 D453	L149-N151 PolarHBondContact O-N 3.18Å; N151-K153 VanDerWaalsContact C-N 3.31Å; N151-K153 PolarHBondContact OD1-N 3.31Å; N151-A154 PolarHBondContact OD1-N 3.31Å; N151-N155 PolarHBondContact OD1-N 3.3Å; N151-N155 PolarHBondContact OD1-OD1 2.75Å; N151-N155 VanDerWaalsContact OD1-OD1 3.06Å; N151-D453 HydrophobicContact CB-CB 3.87Å; N151-D453 WeakPolarHBondContact CB-OD1 3.49Å; N151-D453 WeakPolarHBondContact CB-OD2 3.03Å; N151-D453 PolarHBondContact ND2-OD2 3.34Å
152	I	79.9	Confident	91	Very high	66 Å²	66	18 Å²	18	34%	0.338	9%	0.091	S	C	.	.	S	Bend	trans	-71	-36.5	-177.4	-60.8	160	0	0	0	109.3	N155 H219 L222 I235	I152-N155 PolarHBondContact N-OD1 2.7Å; I152-H219 HydrophobicContact CD1-CB 4.15Å; I152-H219 VanDerWaalsContact CD1-ND1 3.31Å; I152-H219 WeakPolarHBondContact CD1-ND1 3.4Å; I152-L222 HydrophobicContact CD1-CD1 3.85Å; I152-I235 HydrophobicContact CB-CG2 3.97Å; I152-I235 HydrophobicContact CD1-CG2 3.91Å; I152-I235 HydrophobicContact CG2-CG2 4Å
153	K	81.9	Confident	91.2	Very high	145 Å²	145	17.7 Å²	17.7	63%	0.63	9%	0.09	S	C	*	.	S	Bend	trans	-161.8	-58.6	177	-165	170.5	-177.1	178.5	0	113.3	N151 N155 T236	N151-K153 VanDerWaalsContact C-N 3.31Å; N151-K153 PolarHBondContact OD1-N 3.31Å; K153-N155 PolarHBondContact N-OD1 2.94Å; K153-T236 HydrophobicContact CD-CG2 4Å
154	A	85.2	Confident	91.4	Very high	11 Å²	11	17.2 Å²	17.2	9%	0.091	9%	0.088	C	C	.	.	S	Bend	trans	-151.5	37.2	-170.6	0	0	0	0	0	111.3	N151 Y157 Q238	N151-A154 PolarHBondContact OD1-N 3.31Å; A154-Y157 VanDerWaalsContact O-CE1 3.27Å; A154-Y157 WeakPolarHBondContact O-CE1 3.23Å; A154-Q238 HydrophobicContact CB-CG 4.02Å
155	N	88.9	Confident	91.6	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	8%	0.083	C	C	.	.			trans	-111.4	16.6	-174.8	63.5	-79.3	0	0	0	113.2	N150 N151 I152 K153 Y157 A158 N159 L222	N150-N155 PolarHBondContact O-ND2 3.05Å; N151-N155 PolarHBondContact OD1-N 3.3Å; N151-N155 PolarHBondContact OD1-OD1 2.75Å; N151-N155 VanDerWaalsContact OD1-OD1 3.06Å; I152-N155 PolarHBondContact N-OD1 2.7Å; K153-N155 PolarHBondContact N-OD1 2.94Å; N155-Y157 VanDerWaalsContact C-N 3.32Å; N155-Y157 PolarHBondContact O-N 3.48Å; N155-A158 PolarHBondContact O-N 2.99Å; N155-A158 VanDerWaalsContact O-N 3.16Å; N155-N159 PolarHBondContact ND2-ND2 3.48Å; N155-N159 PolarHBondContact ND2-OD1 3.31Å; N155-N159 PolarHBondContact O-N 3.12Å; N155-N159 PolarHBondContact O-OD1 3.29Å; N155-L222 HydrophobicContact CB-CD1 3.86Å; N155-L222 HydrophobicContact CB-CD2 4.24Å; N155-L222 VanDerWaalsContact ND2-CD1 3.26Å; N155-L222 WeakPolarHBondContact ND2-CD1 3.38Å
156	D	91.8	Very high	91.9	Very high	6 Å²	6	16.5 Å²	16.5	3%	0.032	8%	0.083	C	C	.	.	H	α-helix	trans	-56.4	-40.2	175	58.7	-21	0	0	0	112.5	A158 N159 A160 Q238 S435 Y436	D156-A158 VanDerWaalsContact C-N 3.28Å; D156-A158 PolarHBondContact O-N 3.13Å; D156-N159 PolarHBondContact O-N 2.91Å; D156-A160 WeakPolarHBondContact O-CB 3.26Å; D156-A160 PolarHBondContact O-N 3.22Å; D156-Q238 PolarHBondContact OD1-NE2 2.84Å; D156-Q238 PolarHBondContact OD1-OE1 3.47Å; D156-Q238 VanDerWaalsContact OD1-OE1 3.12Å; D156-Q238 PolarHBondContact OD2-NE2 2.99Å; D156-S435 WeakPolarHBondContact OD2-CA 3.19Å; D156-Y436 PolarHBondContact OD2-N 3.38Å
157	Y	92.9	Very high	92	Very high	4 Å²	4	16.3 Å²	16.3	2%	0.016	8%	0.082	C	C	.	.	H	α-helix	trans	-56.6	-42.4	174.5	71.6	-87.6	0	0	0	112.2	A154 N155 V161 F233 G239 F244 Y436	A154-Y157 VanDerWaalsContact O-CE1 3.27Å; A154-Y157 WeakPolarHBondContact O-CE1 3.23Å; N155-Y157 VanDerWaalsContact C-N 3.32Å; N155-Y157 PolarHBondContact O-N 3.48Å; Y157-V161 WeakPolarHBondContact O-CG2 3.2Å; Y157-V161 PolarHBondContact O-N 3.45Å; Y157-F233 AromaticContact CE2-CD1 3.96Å; Y157-F233 HydrophobicContact CE2-CD1 3.96Å; Y157-G239 VanDerWaalsContact CD1-N 3.31Å; Y157-F244 HydrophobicContact CD2-CB 3.83Å; Y157-F244 HydrophobicContact CD2-CD1 4.47Å; Y157-F244 HydrophobicContact CD2-CG 4.05Å; Y157-F244 HydrophobicContact CE2-CB 3.85Å; Y157-F244 HydrophobicContact CE2-CD2 4.02Å; Y157-F244 AromaticContact CE2-CG 3.9Å; Y157-F244 HydrophobicContact CE2-CG 3.9Å; Y157-Y436 VanDerWaalsContact CB-CE2 3.48Å
158	A	94.4	Very high	92.1	Very high	1 Å²	1	16.2 Å²	16.2	1%	0.008	8%	0.081	C	C	.	.	H	α-helix	trans	-73.4	-41.3	178.7	0	0	0	0	0	110.8	N155 D156 A160 V161 L162 L222 F244	N155-A158 PolarHBondContact O-N 2.99Å; N155-A158 VanDerWaalsContact O-N 3.16Å; D156-A158 VanDerWaalsContact C-N 3.28Å; D156-A158 PolarHBondContact O-N 3.13Å; A158-A160 PolarHBondContact O-N 3.37Å; A158-V161 PolarHBondContact O-N 3.45Å; A158-L162 WeakPolarHBondContact O-CB 3.34Å; A158-L162 WeakPolarHBondContact O-CG 3.47Å; A158-L162 PolarHBondContact O-N 2.82Å; A158-L222 HydrophobicContact CB-CD2 3.87Å; A158-F244 HydrophobicContact CB-CD1 4.22Å; A158-F244 HydrophobicContact CB-CE1 3.84Å; A158-F244 HydrophobicContact CB-CE2 4.26Å; A158-F244 HydrophobicContact CB-CZ 3.85Å
159	N	94.8	Very high	92.2	Very high	5 Å²	5	16.9 Å²	16.9	3%	0.027	9%	0.085	C	C	.	.	H	α-helix	trans	-57.9	-48.4	176.8	-71.9	-2.7	0	0	0	111.1	L149 N150 N155 D156 V161 L162 Q163 P218	L149-N159 HydrophobicContact CB-CB 4.1Å; L149-N159 HydrophobicContact CD1-CB 3.91Å; N150-N159 PolarHBondContact O-ND2 2.83Å; N155-N159 PolarHBondContact ND2-ND2 3.48Å; N155-N159 PolarHBondContact ND2-OD1 3.31Å; N155-N159 PolarHBondContact O-N 3.12Å; N155-N159 PolarHBondContact O-OD1 3.29Å; D156-N159 PolarHBondContact O-N 2.91Å; N159-V161 PolarHBondContact O-N 2.82Å; N159-L162 PolarHBondContact O-N 3.34Å; N159-Q163 WeakPolarHBondContact O-CB 3.45Å; N159-Q163 VanDerWaalsContact O-CG 3.24Å; N159-Q163 WeakPolarHBondContact O-CG 3.2Å; N159-Q163 PolarHBondContact O-N 2.87Å; N159-P218 WeakPolarHBondContact OD1-CG 3.25Å
160	A	95.6	Very high	92.3	Very high	5 Å²	5	19 Å²	19	4%	0.041	10%	0.1	C	C	.	.	H	α-helix	trans	-59.6	-46.7	177.9	0	0	0	0	0	111.5	D156 A158 Q163 A164 I425 I438	D156-A160 WeakPolarHBondContact O-CB 3.26Å; D156-A160 PolarHBondContact O-N 3.22Å; A158-A160 PolarHBondContact O-N 3.37Å; A160-Q163 PolarHBondContact O-N 3.04Å; A160-A164 WeakPolarHBondContact O-CB 3.33Å; A160-A164 PolarHBondContact O-N 2.86Å; A160-I425 HydrophobicContact CB-CD1 4.16Å; A160-I425 HydrophobicContact CB-CG1 4.24Å; A160-I425 HydrophobicContact CB-CG2 3.87Å; A160-I438 HydrophobicContact CB-CB 4.31Å; A160-I438 WeakPolarHBondContact O-CD1 3.43Å
161	V	96.6	Very high	92.5	Very high	1 Å²	1	16.9 Å²	16.9	1%	0.006	9%	0.088	C	C	.	.	H	α-helix	trans	-63.9	-43.5	177.9	170	0	0	0	0	112.2	Y157 A158 N159 Q163 A164 L165 F244 L245 I425 I471	Y157-V161 WeakPolarHBondContact O-CG2 3.2Å; Y157-V161 PolarHBondContact O-N 3.45Å; A158-V161 PolarHBondContact O-N 3.45Å; N159-V161 PolarHBondContact O-N 2.82Å; V161-Q163 VanDerWaalsContact C-N 3.34Å; V161-Q163 PolarHBondContact O-N 3.41Å; V161-A164 PolarHBondContact O-N 3.23Å; V161-L165 HydrophobicContact CG1-CD1 4Å; V161-L165 HydrophobicContact CG1-CG 4.45Å; V161-L165 WeakPolarHBondContact O-CG 3.29Å; V161-L165 PolarHBondContact O-N 3.39Å; V161-F244 HydrophobicContact CB-CD1 3.73Å; V161-F244 HydrophobicContact CB-CE1 3.88Å; V161-F244 HydrophobicContact CG1-CD1 3.73Å; V161-F244 HydrophobicContact CG1-CE1 3.77Å; V161-F244 HydrophobicContact CG2-CD1 4.03Å; V161-L245 HydrophobicContact CG1-CB 4.11Å; V161-L245 HydrophobicContact CG1-CD1 3.74Å; V161-L245 HydrophobicContact CG2-CB 4.34Å; V161-I425 HydrophobicContact CB-CD1 4.45Å; V161-I425 HydrophobicContact CG2-CD1 3.85Å; V161-I471 HydrophobicContact CG2-CD1 4.24Å
162	L	96.1	Very high	92.9	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-64	-39.4	178.9	-68.5	169.1	0	0	0	111.7	A158 N159 S166 F199 L202 M221 F244 F248	A158-L162 WeakPolarHBondContact O-CB 3.34Å; A158-L162 WeakPolarHBondContact O-CG 3.47Å; A158-L162 PolarHBondContact O-N 2.82Å; N159-L162 PolarHBondContact O-N 3.34Å; L162-S166 WeakPolarHBondContact O-CB 3.49Å; L162-S166 PolarHBondContact O-N 3.22Å; L162-F199 HydrophobicContact CD2-CD2 3.79Å; L162-F199 HydrophobicContact CD2-CE2 3.65Å; L162-L202 HydrophobicContact CB-CD2 4.4Å; L162-L202 HydrophobicContact CD1-CD2 3.89Å; L162-M221 HydrophobicContact CD1-CG 4.03Å; L162-M221 HydrophobicContact CD2-CE 3.69Å; L162-F244 HydrophobicContact CG-CE1 4.43Å; L162-F248 HydrophobicContact CD2-CE1 3.98Å; L162-F248 HydrophobicContact CD2-CZ 3.98Å
163	Q	95.6	Very high	93.6	Very high	5 Å²	5	14 Å²	14	2%	0.023	7%	0.073	C	C	.	.	H	α-helix	trans	-66.1	-42.7	174.6	-72.6	-74.2	19	0	0	112.1	V147 L149 N159 A160 V161 L165 S166 N167 I438	V147-Q163 PolarHBondContact O-NE2 3.48Å; L149-Q163 HydrophobicContact CD1-CG 3.67Å; L149-Q163 HydrophobicContact CG-CG 4.33Å; N159-Q163 WeakPolarHBondContact O-CB 3.45Å; N159-Q163 VanDerWaalsContact O-CG 3.24Å; N159-Q163 WeakPolarHBondContact O-CG 3.2Å; N159-Q163 PolarHBondContact O-N 2.87Å; A160-Q163 PolarHBondContact O-N 3.04Å; V161-Q163 VanDerWaalsContact C-N 3.34Å; V161-Q163 PolarHBondContact O-N 3.41Å; Q163-L165 VanDerWaalsContact C-N 3.34Å; Q163-L165 PolarHBondContact O-N 3.1Å; Q163-S166 WeakPolarHBondContact O-CB 3.46Å; Q163-S166 PolarHBondContact O-N 3.49Å; Q163-N167 PolarHBondContact O-N 2.9Å; Q163-N167 PolarHBondContact O-ND2 3.21Å; Q163-I438 HydrophobicContact CB-CD1 4.03Å; Q163-I438 HydrophobicContact CB-CG2 4.2Å
164	A	96.7	Very high	94.1	Very high	2 Å²	2	9.3 Å²	9.3	2%	0.017	5%	0.052	C	C	.	.	H	α-helix	trans	-60	-46.3	176.8	0	0	0	0	0	111.2	A160 V161 N167 A423 I425 I438 I473	A160-A164 WeakPolarHBondContact O-CB 3.33Å; A160-A164 PolarHBondContact O-N 2.86Å; V161-A164 PolarHBondContact O-N 3.23Å; A164-N167 PolarHBondContact O-N 2.86Å; A164-A423 HydrophobicContact CB-CB 4.07Å; A164-I425 HydrophobicContact CB-CD1 3.89Å; A164-I425 HydrophobicContact CB-CG1 4.22Å; A164-I438 HydrophobicContact CB-CD1 3.53Å; A164-I473 HydrophobicContact CB-CD1 3.68Å; A164-I473 HydrophobicContact CB-CG1 4.49Å
165	L	96.6	Very high	94.6	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-68.1	-33.4	177.8	-67.5	176.2	0	0	0	112.5	V161 Q163 N167 V168 L171 F199 L245 F248 L249 F271 I473	V161-L165 HydrophobicContact CG1-CD1 4Å; V161-L165 HydrophobicContact CG1-CG 4.45Å; V161-L165 WeakPolarHBondContact O-CG 3.29Å; V161-L165 PolarHBondContact O-N 3.39Å; Q163-L165 VanDerWaalsContact C-N 3.34Å; Q163-L165 PolarHBondContact O-N 3.1Å; L165-N167 PolarHBondContact O-N 3.17Å; L165-V168 WeakPolarHBondContact O-CB 3.49Å; L165-V168 PolarHBondContact O-N 3.21Å; L165-L171 HydrophobicContact CB-CD2 3.95Å; L165-L171 HydrophobicContact CD2-CD2 4.11Å; L165-F199 HydrophobicContact CB-CZ 4.27Å; L165-L245 HydrophobicContact CD1-CD1 4.2Å; L165-L245 HydrophobicContact CD2-CD1 4.21Å; L165-L245 HydrophobicContact CG-CD1 4.41Å; L165-F248 HydrophobicContact CD1-CD1 3.52Å; L165-F248 HydrophobicContact CD1-CE1 3.64Å; L165-L249 HydrophobicContact CD1-CD2 4.4Å; L165-L249 HydrophobicContact CD2-CD2 4.11Å; L165-F271 HydrophobicContact CD2-CE2 4.22Å; L165-F271 HydrophobicContact CD2-CZ 3.85Å; L165-I473 HydrophobicContact CD2-CD1 4.41Å
166	S	95.6	Very high	94.8	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-62.9	-27.5	175.4	-162.9	0	0	0	0	113.1	L162 Q163 V168 R172 M203 W207	L162-S166 WeakPolarHBondContact O-CB 3.49Å; L162-S166 PolarHBondContact O-N 3.22Å; Q163-S166 WeakPolarHBondContact O-CB 3.46Å; Q163-S166 PolarHBondContact O-N 3.49Å; S166-V168 VanDerWaalsContact C-N 3.3Å; S166-V168 PolarHBondContact O-N 3Å; S166-R172 WeakPolarHBondContact O-CB 3.33Å; S166-M203 VanDerWaalsContact CA-SD 3.57Å; S166-M203 VanDerWaalsContact CB-SD 3.54Å; S166-M203 PolarHBondContact OG-SD 3.21Å; S166-W207 PolarHBondContact O-NE1 3.44Å; S166-W207 PolarHBondContact OG-NE1 3.08Å
167	N	94.1	Very high	94.7	Very high	1 Å²	1	10.7 Å²	10.7	1%	0.005	6%	0.056	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	8.7	-179.9	-78.5	-76.7	0	0	0	114.2	Q163 A164 L165 P169 V440 H443	Q163-N167 PolarHBondContact O-N 2.9Å; Q163-N167 PolarHBondContact O-ND2 3.21Å; A164-N167 PolarHBondContact O-N 2.86Å; L165-N167 PolarHBondContact O-N 3.17Å; N167-P169 VanDerWaalsContact O-CD 3.26Å; N167-P169 WeakPolarHBondContact O-CD 3.33Å; N167-V440 HydrophobicContact CB-CG1 3.79Å; N167-V440 WeakPolarHBondContact ND2-CG1 3.3Å; N167-V440 VanDerWaalsContact OD1-CG1 3.3Å; N167-V440 WeakPolarHBondContact OD1-CG1 3.41Å; N167-H443 PolarHBondContact O-NE2 3.42Å; N167-H443 VanDerWaalsContact O-NE2 3.12Å
168	V	95.9	Very high	94.5	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.067	C	C	.	.			trans	-93.4	102.3	171.4	178.1	0	0	0	0	108.9	L165 S166 L171 R172 V270 F271 Y371 I422 I473	L165-V168 WeakPolarHBondContact O-CB 3.49Å; L165-V168 PolarHBondContact O-N 3.21Å; S166-V168 VanDerWaalsContact C-N 3.3Å; S166-V168 PolarHBondContact O-N 3Å; V168-L171 HydrophobicContact CB-CB 4.12Å; V168-L171 HydrophobicContact CG1-CB 3.98Å; V168-L171 PolarHBondContact O-N 3.28Å; V168-L171 VanDerWaalsContact O-N 3.1Å; V168-R172 WeakPolarHBondContact O-CB 3.27Å; V168-R172 PolarHBondContact O-N 2.87Å; V168-V270 HydrophobicContact CG1-CG1 3.71Å; V168-F271 HydrophobicContact CB-CZ 4.42Å; V168-F271 HydrophobicContact CG1-CE1 4.43Å; V168-F271 HydrophobicContact CG1-CZ 4.02Å; V168-F271 HydrophobicContact CG2-CE1 4.32Å; V168-F271 HydrophobicContact CG2-CZ 4.04Å; V168-Y371 HydrophobicContact CG1-CD1 3.77Å; V168-Y371 HydrophobicContact CG1-CD2 4.09Å; V168-Y371 HydrophobicContact CG1-CE1 3.91Å; V168-Y371 HydrophobicContact CG1-CE2 4.27Å; V168-Y371 HydrophobicContact CG1-CG 3.87Å; V168-Y371 HydrophobicContact CG2-CD1 4.31Å; V168-I422 HydrophobicContact CG2-CD1 3.97Å; V168-I473 HydrophobicContact CG2-CD1 4.15Å; V168-I473 HydrophobicContact CG2-CG2 4Å
169	P	94.1	Very high	94.2	Very high	13 Å²	13	17.9 Å²	17.9	8%	0.084	9%	0.094	C	C	.	.	H	α-helix	trans	-54.5	-44.7	-169.5	-26.7	34	0	0	0	115.4	N167 L171 R172 N173 Y371	N167-P169 VanDerWaalsContact O-CD 3.26Å; N167-P169 WeakPolarHBondContact O-CD 3.33Å; P169-L171 VanDerWaalsContact C-N 3.33Å; P169-L171 PolarHBondContact O-N 2.86Å; P169-R172 PolarHBondContact O-N 3.24Å; P169-N173 WeakPolarHBondContact O-CB 3.37Å; P169-N173 PolarHBondContact O-N 3.35Å; P169-N173 PolarHBondContact O-ND2 3.38Å; P169-N173 PolarHBondContact O-OD1 2.94Å; P169-N173 VanDerWaalsContact O-OD1 3.13Å; P169-Y371 WeakPolarHBondContact CD-OH 3.3Å
170	P	94.4	Very high	93.7	Very high	48 Å²	48	20.5 Å²	20.5	31%	0.312	11%	0.108	S	C	.	.	H	α-helix	trans	-64.4	-38	179.2	-22.5	33.9	0	0	0	113.1	Y174 I266 V270 Y371	P170-Y174 WeakPolarHBondContact O-CB 3.48Å; P170-Y174 PolarHBondContact O-N 3.49Å; P170-I266 HydrophobicContact CB-CD1 4.37Å; P170-V270 HydrophobicContact CB-CG2 3.76Å; P170-V270 HydrophobicContact CG-CG2 4.45Å; P170-Y371 WeakPolarHBondContact CD-OH 3.46Å; P170-Y371 HydrophobicContact CG-CD2 4.45Å; P170-Y371 HydrophobicContact CG-CE2 3.58Å
171	L	94.8	Very high	93.3	Very high	1 Å²	1	20.5 Å²	20.5	1%	0.005	11%	0.107	C	C	.	.	H	α-helix	trans	-68.5	-50.4	176.9	-171.2	70.6	0	0	0	110.1	L165 V168 P169 N173 Y174 F175 F199 I266 V267 F271	L165-L171 HydrophobicContact CB-CD2 3.95Å; L165-L171 HydrophobicContact CD2-CD2 4.11Å; V168-L171 HydrophobicContact CB-CB 4.12Å; V168-L171 HydrophobicContact CG1-CB 3.98Å; V168-L171 PolarHBondContact O-N 3.28Å; V168-L171 VanDerWaalsContact O-N 3.1Å; P169-L171 VanDerWaalsContact C-N 3.33Å; P169-L171 PolarHBondContact O-N 2.86Å; L171-N173 PolarHBondContact O-N 2.88Å; L171-Y174 WeakPolarHBondContact O-CB 3.35Å; L171-Y174 PolarHBondContact O-N 3.46Å; L171-F175 HydrophobicContact CD1-CD2 4.1Å; L171-F175 HydrophobicContact CD1-CE2 3.7Å; L171-F175 HydrophobicContact CG-CD2 4.17Å; L171-F175 HydrophobicContact CG-CE2 4.2Å; L171-F175 VanDerWaalsContact O-CD2 3.29Å; L171-F175 WeakPolarHBondContact O-CD2 3.22Å; L171-F175 PolarHBondContact O-N 2.88Å; L171-F199 HydrophobicContact CD2-CE1 4.45Å; L171-F199 HydrophobicContact CD2-CZ 4.43Å; L171-I266 HydrophobicContact CD1-CG1 4.22Å; L171-I266 HydrophobicContact CD1-CG2 4Å; L171-V267 HydrophobicContact CD1-CG2 4.49Å; L171-F271 HydrophobicContact CD2-CE2 4.17Å; L171-F271 HydrophobicContact CD2-CZ 4.44Å
172	R	95	Very high	92.7	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-52.5	-55.2	175.9	-178.1	-163.5	64	-157.6	-5.9	111.1	D128 S166 V168 P169 Y174 F175 L176 W207	D128-R172 IonicContact OD1-CZ 3.74Å; D128-R172 VanDerWaalsContact OD1-CZ 3.26Å; D128-R172 IonicContact OD1-NH1 3.61Å; D128-R172 PolarHBondContact OD1-NH1 3.41Å; D128-R172 IonicContact OD1-NH2 3.88Å; D128-R172 PolarHBondContact OD1-NH2 3.16Å; D128-R172 IonicContact OD2-CZ 3.85Å; D128-R172 IonicContact OD2-NH1 3.4Å; D128-R172 IonicContact OD2-NH2 2.73Å; D128-R172 PolarHBondContact OD2-NH2 3.06Å; S166-R172 WeakPolarHBondContact O-CB 3.33Å; V168-R172 WeakPolarHBondContact O-CB 3.27Å; V168-R172 PolarHBondContact O-N 2.87Å; P169-R172 PolarHBondContact O-N 3.24Å; R172-Y174 VanDerWaalsContact C-N 3.27Å; R172-Y174 PolarHBondContact O-N 3.36Å; R172-F175 PolarHBondContact O-N 3.31Å; R172-L176 HydrophobicContact CG-CD1 3.77Å; R172-L176 HydrophobicContact CG-CG 4.06Å; R172-L176 WeakPolarHBondContact O-CG 3.46Å; R172-L176 PolarHBondContact O-N 3.44Å; R172-W207 VanDerWaalsContact CD-CZ2 3.47Å; R172-W207 HydrophobicContact CG-CG 4.48Å
173	N	94.5	Very high	92	Very high	45 Å²	45	32.1 Å²	32.1	24%	0.241	16%	0.163	C	C	.	.	H	α-helix	trans	-59.7	-39.1	-175.4	-65.8	-2.4	0	0	0	111.5	I124 P169 L171 F175 E177	I124-N173 HydrophobicContact CG2-CB 3.66Å; I124-N173 VanDerWaalsContact CG2-OD1 3.23Å; I124-N173 WeakPolarHBondContact CG2-OD1 3.48Å; P169-N173 WeakPolarHBondContact O-CB 3.37Å; P169-N173 PolarHBondContact O-N 3.35Å; P169-N173 PolarHBondContact O-ND2 3.38Å; P169-N173 PolarHBondContact O-OD1 2.94Å; P169-N173 VanDerWaalsContact O-OD1 3.13Å; L171-N173 PolarHBondContact O-N 2.88Å; N173-F175 VanDerWaalsContact C-N 3.34Å; N173-F175 PolarHBondContact O-N 3.29Å; N173-E177 PolarHBondContact O-N 3.28Å
174	Y	93.4	Very high	91.3	Very high	48 Å²	48	34 Å²	34	19%	0.188	17%	0.173	C	C	.	.	H	α-helix	trans	-60.1	-42.8	175.2	-179.3	-91.8	0	0	0	112.4	P170 L171 R172 N180 Y181 L256 I266	P170-Y174 WeakPolarHBondContact O-CB 3.48Å; P170-Y174 PolarHBondContact O-N 3.49Å; L171-Y174 WeakPolarHBondContact O-CB 3.35Å; L171-Y174 PolarHBondContact O-N 3.46Å; R172-Y174 VanDerWaalsContact C-N 3.27Å; R172-Y174 PolarHBondContact O-N 3.36Å; Y174-N180 HydrophobicContact CD2-CB 3.94Å; Y174-N180 HydrophobicContact CE1-CB 4.44Å; Y174-N180 HydrophobicContact CE2-CB 3.64Å; Y174-N180 HydrophobicContact CG-CB 4.45Å; Y174-N180 PolarHBondContact O-ND2 2.84Å; Y174-N180 PolarHBondContact OH-O 3Å; Y174-Y181 HydrophobicContact CE1-CD1 4.31Å; Y174-L256 HydrophobicContact CE1-CD1 4.31Å; Y174-L256 HydrophobicContact CE1-CD2 4.01Å; Y174-I266 HydrophobicContact CD1-CB 4.36Å; Y174-I266 HydrophobicContact CD1-CG2 3.79Å; Y174-I266 HydrophobicContact CD2-CB 4.19Å; Y174-I266 HydrophobicContact CD2-CG1 4.39Å; Y174-I266 HydrophobicContact CD2-CG2 4.47Å; Y174-I266 HydrophobicContact CE1-CG2 4.04Å; Y174-I266 HydrophobicContact CG-CB 4.08Å; Y174-I266 HydrophobicContact CG-CG1 4.06Å; Y174-I266 HydrophobicContact CG-CG2 4.03Å
175	F	94.1	Very high	90.2	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-83.8	-22.2	-177.4	-80.8	-73.8	0	0	0	114.5	L171 R172 N173 E177 Y181 V196 F199 M203 R204 L252 L256 I266	L171-F175 HydrophobicContact CD1-CD2 4.1Å; L171-F175 HydrophobicContact CD1-CE2 3.7Å; L171-F175 HydrophobicContact CG-CD2 4.17Å; L171-F175 HydrophobicContact CG-CE2 4.2Å; L171-F175 VanDerWaalsContact O-CD2 3.29Å; L171-F175 WeakPolarHBondContact O-CD2 3.22Å; L171-F175 PolarHBondContact O-N 2.88Å; R172-F175 PolarHBondContact O-N 3.31Å; N173-F175 VanDerWaalsContact C-N 3.34Å; N173-F175 PolarHBondContact O-N 3.29Å; F175-E177 VanDerWaalsContact C-N 3.27Å; F175-Y181 HydrophobicContact CD1-CD1 4.31Å; F175-Y181 HydrophobicContact CD1-CE1 4.07Å; F175-V196 HydrophobicContact CE1-CG1 3.79Å; F175-F199 AromaticContact CD1-CD1 3.76Å; F175-F199 HydrophobicContact CD1-CD1 3.76Å; F175-F199 HydrophobicContact CD1-CE1 4.41Å; F175-F199 AromaticContact CD2-CD1 3.69Å; F175-F199 HydrophobicContact CD2-CD1 3.69Å; F175-F199 AromaticContact CD2-CE1 3.5Å; F175-F199 HydrophobicContact CD2-CE1 3.5Å; F175-F199 VanDerWaalsContact CD2-CE1 3.5Å; F175-F199 AromaticContact CE1-CD1 3.67Å; F175-F199 HydrophobicContact CE1-CD1 3.67Å; F175-F199 HydrophobicContact CE1-CE1 4.43Å; F175-F199 AromaticContact CE2-CD1 3.64Å; F175-F199 HydrophobicContact CE2-CD1 3.64Å; F175-F199 AromaticContact CE2-CE1 3.56Å; F175-F199 HydrophobicContact CE2-CE1 3.56Å; F175-F199 AromaticContact CG-CD1 3.77Å; F175-F199 HydrophobicContact CG-CD1 3.77Å; F175-F199 AromaticContact CG-CE1 3.96Å; F175-F199 HydrophobicContact CG-CE1 3.96Å; F175-F199 AromaticContact CZ-CD1 3.63Å; F175-F199 HydrophobicContact CZ-CD1 3.63Å; F175-F199 HydrophobicContact CZ-CE1 4.05Å; F175-M203 HydrophobicContact CB-CB 4.27Å; F175-M203 HydrophobicContact CB-CG 3.87Å; F175-R204 PolarHBondContact O-NH1 3.04Å; F175-L252 HydrophobicContact CZ-CD2 4.21Å; F175-L256 HydrophobicContact CZ-CD1 4.35Å; F175-I266 HydrophobicContact CE2-CG2 4.5Å
176	L	92.9	Very high	89	Confident	2 Å²	2	46.4 Å²	46.4	1%	0.01	23%	0.225	C	C	.	.	H	α-helix	trans	-67.1	-30.6	171.8	-71	178.6	0	0	0	111.9	F119 I124 L127 R172 M203 R204 W207	F119-L176 HydrophobicContact CB-CB 4.49Å; F119-L176 HydrophobicContact CD2-CB 4.42Å; F119-L176 HydrophobicContact CD2-CD2 3.95Å; F119-L176 HydrophobicContact CE2-CD2 3.86Å; F119-L176 HydrophobicContact CG-CB 4.49Å; F119-L176 HydrophobicContact CG-CD2 4.43Å; F119-L176 HydrophobicContact CZ-CD2 4.25Å; I124-L176 HydrophobicContact CD1-CB 3.89Å; I124-L176 HydrophobicContact CG1-CB 4.22Å; I124-L176 HydrophobicContact CG1-CD1 4.18Å; I124-L176 HydrophobicContact CG2-CD1 4.47Å; L127-L176 HydrophobicContact CD1-CD1 3.55Å; R172-L176 HydrophobicContact CG-CD1 3.77Å; R172-L176 HydrophobicContact CG-CG 4.06Å; R172-L176 WeakPolarHBondContact O-CG 3.46Å; R172-L176 PolarHBondContact O-N 3.44Å; L176-M203 HydrophobicContact CD2-CB 4.25Å; L176-R204 HydrophobicContact CD2-CB 4.45Å; L176-R204 HydrophobicContact CD2-CG 3.84Å; L176-R204 WeakPolarHBondContact O-CD 3.28Å; L176-W207 HydrophobicContact CD2-CB 4.09Å
177	E	91.6	Very high	88.1	Confident	43 Å²	43	49.3 Å²	49.3	20%	0.201	24%	0.244	C	C	.	.			trans	-94.4	102.2	176.5	178.8	173.1	-145.5	0	0	110.8	K121 I124 N173 F175 D179 N180	K121-E177 WeakPolarHBondContact CE-OE1 3.29Å; K121-E177 IonicContact NZ-OE1 3.7Å; I124-E177 HydrophobicContact CD1-CB 4.35Å; N173-E177 PolarHBondContact O-N 3.28Å; F175-E177 VanDerWaalsContact C-N 3.27Å; E177-D179 HydrophobicContact CG-CB 4.35Å; E177-D179 PolarHBondContact O-N 3.43Å; E177-N180 WeakPolarHBondContact CB-ND2 3.48Å; E177-N180 WeakPolarHBondContact O-CB 3.47Å; E177-N180 PolarHBondContact O-N 2.86Å; E177-N180 PolarHBondContact OE2-ND2 2.82Å; E177-N180 PolarHBondContact OE2-OD1 3.48Å
178	E	87.9	Confident	87	Confident	50 Å²	50	55.9 Å²	55.9	23%	0.234	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-32.5	-176.4	-169.7	-177.6	168.3	0	0	112.7	K116 N180 Y181 K182	K116-E178 WeakPolarHBondContact CE-OE2 3.37Å; K116-E178 IonicContact NZ-OE1 3.86Å; K116-E178 PolarHBondContact NZ-OE1 2.71Å; K116-E178 IonicContact NZ-OE2 3.39Å; K116-E178 PolarHBondContact NZ-OE2 3.44Å; E178-N180 PolarHBondContact O-N 3.35Å; E178-N180 VanDerWaalsContact O-N 3.17Å; E178-Y181 PolarHBondContact O-N 2.94Å; E178-K182 HydrophobicContact CG-CB 4.35Å; E178-K182 HydrophobicContact CG-CD 4.33Å; E178-K182 VanDerWaalsContact O-CB 3.22Å; E178-K182 WeakPolarHBondContact O-CB 3.46Å; E178-K182 PolarHBondContact O-N 3.04Å
179	D	86.9	Confident	85.9	Confident	107 Å²	107	59.4 Å²	59.4	57%	0.572	32%	0.323	S	S	*	.	H	α-helix	trans	-62.2	-24.2	-178.2	-68.7	-32.8	0	0	0	113.4	E177 Y181	E177-D179 HydrophobicContact CG-CB 4.35Å; E177-D179 PolarHBondContact O-N 3.43Å; D179-Y181 VanDerWaalsContact C-N 3.26Å; D179-Y181 PolarHBondContact O-N 3.41Å
180	N	86	Confident	85.2	Confident	60 Å²	60	61 Å²	61	32%	0.321	33%	0.331	S	S	.	.	H	α-helix	trans	-66.6	-26.6	-178.7	-74.5	-25.7	0	0	0	113.6	Y174 E177 E178	Y174-N180 HydrophobicContact CD2-CB 3.94Å; Y174-N180 HydrophobicContact CE1-CB 4.44Å; Y174-N180 HydrophobicContact CE2-CB 3.64Å; Y174-N180 HydrophobicContact CG-CB 4.45Å; Y174-N180 PolarHBondContact O-ND2 2.84Å; Y174-N180 PolarHBondContact OH-O 3Å; E177-N180 WeakPolarHBondContact CB-ND2 3.48Å; E177-N180 WeakPolarHBondContact O-CB 3.47Å; E177-N180 PolarHBondContact O-N 2.86Å; E177-N180 PolarHBondContact OE2-ND2 2.82Å; E177-N180 PolarHBondContact OE2-OD1 3.48Å; E178-N180 PolarHBondContact O-N 3.35Å; E178-N180 VanDerWaalsContact O-N 3.17Å
181	Y	86.8	Confident	84.8	Confident	5 Å²	5	62.3 Å²	62.3	2%	0.02	33%	0.334	C	S	.	.	H	α-helix	trans	-130.5	-13.3	-175.2	62.8	-94.9	0	0	0	114.3	Y174 F175 E178 D179 N183 I184 F193 V196 R204	Y174-Y181 HydrophobicContact CE1-CD1 4.31Å; F175-Y181 HydrophobicContact CD1-CD1 4.31Å; F175-Y181 HydrophobicContact CD1-CE1 4.07Å; E178-Y181 PolarHBondContact O-N 2.94Å; D179-Y181 VanDerWaalsContact C-N 3.26Å; D179-Y181 PolarHBondContact O-N 3.41Å; Y181-N183 VanDerWaalsContact C-N 3.3Å; Y181-N183 PolarHBondContact O-N 3.07Å; Y181-I184 WeakPolarHBondContact O-CB 3.23Å; Y181-I184 VanDerWaalsContact O-CG1 3.31Å; Y181-I184 WeakPolarHBondContact O-CG1 3.38Å; Y181-I184 PolarHBondContact O-N 2.85Å; Y181-F193 WeakPolarHBondContact O-CZ 3.38Å; Y181-V196 HydrophobicContact CD2-CG1 3.62Å; Y181-V196 HydrophobicContact CE2-CG1 4.23Å; Y181-V196 HydrophobicContact CG-CG1 3.85Å; Y181-R204 PolarHBondContact OH-NH1 2.78Å; Y181-R204 PolarHBondContact OH-NH2 3.4Å
182	K	84.5	Confident	84.3	Confident	116 Å²	116	64.4 Å²	64.4	50%	0.504	34%	0.344	S	S	.	.	H	α-helix	trans	-60.2	-34.6	178.8	-178.3	178.1	177.8	-176.3	0	114	E178 I184	E178-K182 HydrophobicContact CG-CB 4.35Å; E178-K182 HydrophobicContact CG-CD 4.33Å; E178-K182 VanDerWaalsContact O-CB 3.22Å; E178-K182 WeakPolarHBondContact O-CB 3.46Å; E178-K182 PolarHBondContact O-N 3.04Å; K182-I184 VanDerWaalsContact C-N 3.31Å; K182-I184 PolarHBondContact O-N 3.34Å
183	N	80.6	Confident	83.9	Confident	129 Å²	129	65.7 Å²	65.7	69%	0.69	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	7.4	-174.6	-65.7	-38.7	0	0	0	114.1	Y181 K185	Y181-N183 VanDerWaalsContact C-N 3.3Å; Y181-N183 PolarHBondContact O-N 3.07Å; N183-K185 PolarHBondContact O-N 2.87Å; N183-K185 VanDerWaalsContact O-N 3.11Å
184	I	80.9	Confident	83.6	Confident	44 Å²	44	66 Å²	66	23%	0.226	35%	0.352	C	S	.	.			trans	-71.3	107.9	-179.8	-63.1	176.9	0	0	0	109.2	Y181 K182 R186 F193 L256	Y181-I184 WeakPolarHBondContact O-CB 3.23Å; Y181-I184 VanDerWaalsContact O-CG1 3.31Å; Y181-I184 WeakPolarHBondContact O-CG1 3.38Å; Y181-I184 PolarHBondContact O-N 2.85Å; K182-I184 VanDerWaalsContact C-N 3.31Å; K182-I184 PolarHBondContact O-N 3.34Å; I184-R186 HydrophobicContact CG2-CG 4.26Å; I184-R186 VanDerWaalsContact CG2-NH2 3.34Å; I184-R186 PolarHBondContact O-N 3.26Å; I184-F193 HydrophobicContact CB-CE2 4.16Å; I184-L256 HydrophobicContact CD1-CD2 3.9Å
185	K	73.6	Confident	83.6	Confident	206 Å²	206	63.8 Å²	63.8	90%	0.896	34%	0.343	S	S	*	.			trans	-67.4	127.1	177	-64.9	-174.8	179	-177	0	111	N183	N183-K185 PolarHBondContact O-N 2.87Å; N183-K185 VanDerWaalsContact O-N 3.11Å
186	R	71.9	Confident	83.5	Confident	57 Å²	57	63.8 Å²	63.8	22%	0.215	34%	0.343	C	S	.	.			trans	-130	152.8	-178.9	-67.3	-63.3	173.1	169.1	-17.9	112.4	I184 D190 F193 S254 A255 L256	I184-R186 HydrophobicContact CG2-CG 4.26Å; I184-R186 VanDerWaalsContact CG2-NH2 3.34Å; I184-R186 PolarHBondContact O-N 3.26Å; R186-D190 HydrophobicContact CB-CB 4.21Å; R186-D190 WeakPolarHBondContact CD-OD2 3.36Å; R186-D190 IonicContact NH1-OD2 2.69Å; R186-F193 HydrophobicContact CG-CD2 4.39Å; R186-F193 HydrophobicContact CG-CG 4.48Å; R186-S254 PolarHBondContact NH1-O 3.08Å; R186-A255 PolarHBondContact NE-O 3.47Å; R186-A255 PolarHBondContact NH2-O 3.12Å; R186-L256 PolarHBondContact NH2-O 3.39Å
187	P	75.8	Confident	83.4	Confident	61 Å²	61	67.6 Å²	67.6	40%	0.396	36%	0.361	S	S	.	.			trans	-62.7	147.7	171.7	27.4	-32.6	0	0	0	110.3	G189 D190	P187-G189 PolarHBondContact O-N 3.18Å; P187-D190 HydrophobicContact CG-CB 4.38Å; P187-D190 PolarHBondContact O-N 2.86Å
188	P	71	Confident	83.4	Confident	138 Å²	138	68 Å²	68	90%	0.896	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	133.2	174	24.8	-32.5	0	0	0	110
189	G	72.4	Confident	83.7	Confident	74 Å²	74	65.7 Å²	65.7	76%	0.763	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.9	6.6	-178.5	0	0	0	0	0	116	P187 I191	P187-G189 PolarHBondContact O-N 3.18Å; G189-I191 PolarHBondContact O-N 3.36Å
190	D	80.8	Confident	84.1	Confident	47 Å²	47	60.6 Å²	60.6	25%	0.251	32%	0.322	S	S	.	.			trans	-71.2	91.7	174.1	-167.9	-7.9	0	0	0	111.6	R186 P187 M192	R186-D190 HydrophobicContact CB-CB 4.21Å; R186-D190 WeakPolarHBondContact CD-OD2 3.36Å; R186-D190 IonicContact NH1-OD2 2.69Å; P187-D190 HydrophobicContact CG-CB 4.38Å; P187-D190 PolarHBondContact O-N 2.86Å; D190-M192 PolarHBondContact O-N 3.37Å; D190-M192 WeakPolarHBondContact OD1-CB 3.45Å; D190-M192 PolarHBondContact OD1-N 3.24Å
191	I	84.4	Confident	84.4	Confident	76 Å²	76	60.4 Å²	60.4	39%	0.39	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-24.3	177.4	61.6	172.8	0	0	0	112.7	G189 F193 L194 C228	G189-I191 PolarHBondContact O-N 3.36Å; I191-F193 VanDerWaalsContact C-N 3.26Å; I191-F193 PolarHBondContact O-N 2.9Å; I191-L194 VanDerWaalsContact O-CB 3.24Å; I191-L194 WeakPolarHBondContact O-CB 3.41Å; I191-L194 PolarHBondContact O-N 2.97Å; I191-C228 PolarHBondContact O-SG 2.9Å
192	M	84.8	Confident	84.7	Confident	44 Å²	44	60.5 Å²	60.5	22%	0.217	32%	0.32	C	S	.	.	H	α-helix	trans	-71.9	-24.5	-173.7	-60.5	-65.8	-77.5	0	0	111.8	D190 L194 L195 C228 A251 A255	D190-M192 PolarHBondContact O-N 3.37Å; D190-M192 WeakPolarHBondContact OD1-CB 3.45Å; D190-M192 PolarHBondContact OD1-N 3.24Å; M192-L194 PolarHBondContact O-N 2.99Å; M192-L195 WeakPolarHBondContact O-CB 3.49Å; M192-L195 PolarHBondContact O-N 2.9Å; M192-C228 HydrophobicContact SD-CB 3.74Å; M192-A251 HydrophobicContact CE-CB 3.6Å; M192-A255 HydrophobicContact CB-CB 4.05Å; M192-A255 WeakPolarHBondContact O-CB 3.39Å
193	F	87.1	Confident	85.2	Confident	27 Å²	27	55 Å²	55	12%	0.118	30%	0.296	C	S	.	.	H	α-helix	trans	-67.5	-27.3	176.2	-171.4	-107.9	0	0	0	112.6	Y181 I184 R186 I191 L195 V196 Q197	Y181-F193 WeakPolarHBondContact O-CZ 3.38Å; I184-F193 HydrophobicContact CB-CE2 4.16Å; R186-F193 HydrophobicContact CG-CD2 4.39Å; R186-F193 HydrophobicContact CG-CG 4.48Å; I191-F193 VanDerWaalsContact C-N 3.26Å; I191-F193 PolarHBondContact O-N 2.9Å; F193-L195 PolarHBondContact O-N 3.33Å; F193-V196 HydrophobicContact CD2-CB 4.36Å; F193-V196 HydrophobicContact CE2-CB 4.5Å; F193-V196 HydrophobicContact CE2-CG1 4.35Å; F193-V196 WeakPolarHBondContact O-CB 3.49Å; F193-V196 PolarHBondContact O-N 3.32Å; F193-V196 VanDerWaalsContact O-N 3.08Å; F193-Q197 HydrophobicContact CD1-CG 3.92Å; F193-Q197 HydrophobicContact CE1-CG 3.61Å; F193-Q197 HydrophobicContact CZ-CG 4.21Å; F193-Q197 PolarHBondContact O-N 3.47Å; F193-Q197 VanDerWaalsContact O-N 3.11Å
194	L	89.2	Confident	85.9	Confident	53 Å²	53	49.2 Å²	49.2	28%	0.277	27%	0.265	S	S	.	.	H	α-helix	trans	-56.5	-36.4	173	-176	63.7	0	0	0	111.1	I191 M192 V196 Q197 R198 A224 L227	I191-L194 VanDerWaalsContact O-CB 3.24Å; I191-L194 WeakPolarHBondContact O-CB 3.41Å; I191-L194 PolarHBondContact O-N 2.97Å; M192-L194 PolarHBondContact O-N 2.99Å; L194-V196 VanDerWaalsContact C-N 3.34Å; L194-V196 PolarHBondContact O-N 2.92Å; L194-Q197 PolarHBondContact O-N 2.85Å; L194-R198 HydrophobicContact CD1-CG 4.09Å; L194-R198 HydrophobicContact CG-CG 4.21Å; L194-R198 WeakPolarHBondContact O-CG 3.23Å; L194-R198 PolarHBondContact O-N 2.88Å; L194-A224 HydrophobicContact CD2-CB 4.12Å; L194-A224 HydrophobicContact CG-CB 4.01Å; L194-L227 HydrophobicContact CD2-CD2 3.98Å
195	L	91.8	Very high	86.4	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-60.8	-42.7	177.5	-166.1	68.4	0	0	0	112	M192 F193 F199 M221 A224 V225 W247 F248 A251 L252	M192-L195 WeakPolarHBondContact O-CB 3.49Å; M192-L195 PolarHBondContact O-N 2.9Å; F193-L195 PolarHBondContact O-N 3.33Å; L195-F199 WeakPolarHBondContact O-CB 3.48Å; L195-F199 PolarHBondContact O-N 3.11Å; L195-M221 HydrophobicContact CD1-CE 3.83Å; L195-M221 HydrophobicContact CD1-SD 4.3Å; L195-A224 HydrophobicContact CD1-CB 4.46Å; L195-V225 HydrophobicContact CD1-CG2 3.88Å; L195-W247 HydrophobicContact CD1-CH2 4.25Å; L195-W247 HydrophobicContact CD2-CH2 4.18Å; L195-F248 HydrophobicContact CD1-CD2 4.38Å; L195-F248 HydrophobicContact CD1-CE2 3.86Å; L195-F248 HydrophobicContact CD2-CD2 3.99Å; L195-F248 HydrophobicContact CD2-CE2 3.82Å; L195-F248 HydrophobicContact CG-CD2 4.43Å; L195-F248 HydrophobicContact CG-CE2 3.81Å; L195-A251 HydrophobicContact CD2-CB 3.63Å; L195-L252 HydrophobicContact CD2-CD2 4.38Å; L195-L252 HydrophobicContact CG-CD2 4.44Å
196	V	91.8	Very high	87.4	Confident	0 Å²	0	38 Å²	38	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-65.8	-43.3	178.2	176.6	0	0	0	0	110.3	F175 Y181 F193 L194 G200 L252 A255 L256	F175-V196 HydrophobicContact CE1-CG1 3.79Å; Y181-V196 HydrophobicContact CD2-CG1 3.62Å; Y181-V196 HydrophobicContact CE2-CG1 4.23Å; Y181-V196 HydrophobicContact CG-CG1 3.85Å; F193-V196 HydrophobicContact CD2-CB 4.36Å; F193-V196 HydrophobicContact CE2-CB 4.5Å; F193-V196 HydrophobicContact CE2-CG1 4.35Å; F193-V196 WeakPolarHBondContact O-CB 3.49Å; F193-V196 PolarHBondContact O-N 3.32Å; F193-V196 VanDerWaalsContact O-N 3.08Å; L194-V196 VanDerWaalsContact C-N 3.34Å; L194-V196 PolarHBondContact O-N 2.92Å; V196-G200 PolarHBondContact O-N 2.87Å; V196-L252 HydrophobicContact CG2-CD2 4.17Å; V196-A255 HydrophobicContact CG2-CB 3.44Å; V196-A255 VanDerWaalsContact CG2-CB 3.44Å; V196-L256 HydrophobicContact CG1-CD2 3.83Å; V196-L256 HydrophobicContact CG2-CD2 4.21Å; V196-L256 HydrophobicContact CG2-CG 4.31Å
197	Q	91	Very high	88.4	Confident	83 Å²	83	35.5 Å²	35.5	39%	0.388	21%	0.205	S	C	.	.	H	α-helix	trans	-62.3	-51.3	178	-67.9	-179.6	-51.7	0	0	111.5	F193 L194 G200 E201	F193-Q197 HydrophobicContact CD1-CG 3.92Å; F193-Q197 HydrophobicContact CE1-CG 3.61Å; F193-Q197 HydrophobicContact CZ-CG 4.21Å; F193-Q197 PolarHBondContact O-N 3.47Å; F193-Q197 VanDerWaalsContact O-N 3.11Å; L194-Q197 PolarHBondContact O-N 2.85Å; Q197-G200 PolarHBondContact O-N 3.17Å; Q197-E201 WeakPolarHBondContact O-CG 3.49Å; Q197-E201 PolarHBondContact O-N 3.3Å
198	R	92.4	Very high	89.2	Confident	52 Å²	52	32.6 Å²	32.6	20%	0.196	19%	0.186	C	C	.	.	H	α-helix	trans	-68.1	-36.2	-179	-63.2	-44.3	-170.6	158.5	12.5	113	L194 E201 L202 E220 M221 A224	L194-R198 HydrophobicContact CD1-CG 4.09Å; L194-R198 HydrophobicContact CG-CG 4.21Å; L194-R198 WeakPolarHBondContact O-CG 3.23Å; L194-R198 PolarHBondContact O-N 2.88Å; R198-E201 WeakPolarHBondContact CD-OE2 3.42Å; R198-E201 IonicContact CZ-OE2 2.72Å; R198-E201 IonicContact NE-OE2 3.3Å; R198-E201 IonicContact NH1-OE1 3.2Å; R198-E201 IonicContact NH1-OE2 3.84Å; R198-E201 PolarHBondContact NH1-OE2 3.24Å; R198-E201 PolarHBondContact O-N 3.28Å; R198-L202 WeakPolarHBondContact O-CB 3.36Å; R198-L202 PolarHBondContact O-N 2.91Å; R198-E220 IonicContact CZ-OE1 3.56Å; R198-E220 IonicContact NH1-OE1 3.3Å; R198-E220 PolarHBondContact NH1-OE1 2.95Å; R198-E220 IonicContact NH1-OE2 3.49Å; R198-E220 PolarHBondContact NH1-OE2 2.83Å; R198-E220 IonicContact NH2-OE1 3.39Å; R198-E220 PolarHBondContact NH2-OE1 3.07Å; R198-M221 HydrophobicContact CB-CB 4.47Å; R198-M221 HydrophobicContact CB-SD 4.07Å; R198-A224 HydrophobicContact CB-CB 4.13Å; R198-A224 HydrophobicContact CG-CB 3.81Å
199	F	94.8	Very high	90	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-63.8	-44.4	174	-174.9	-116.1	0	0	0	111.3	L162 L165 L171 F175 L195 E201 L202 M203 M221 F248 L252	L162-F199 HydrophobicContact CD2-CD2 3.79Å; L162-F199 HydrophobicContact CD2-CE2 3.65Å; L165-F199 HydrophobicContact CB-CZ 4.27Å; L171-F199 HydrophobicContact CD2-CE1 4.45Å; L171-F199 HydrophobicContact CD2-CZ 4.43Å; F175-F199 AromaticContact CD1-CD1 3.76Å; F175-F199 HydrophobicContact CD1-CD1 3.76Å; F175-F199 HydrophobicContact CD1-CE1 4.41Å; F175-F199 AromaticContact CD2-CD1 3.69Å; F175-F199 HydrophobicContact CD2-CD1 3.69Å; F175-F199 AromaticContact CD2-CE1 3.5Å; F175-F199 HydrophobicContact CD2-CE1 3.5Å; F175-F199 VanDerWaalsContact CD2-CE1 3.5Å; F175-F199 AromaticContact CE1-CD1 3.67Å; F175-F199 HydrophobicContact CE1-CD1 3.67Å; F175-F199 HydrophobicContact CE1-CE1 4.43Å; F175-F199 AromaticContact CE2-CD1 3.64Å; F175-F199 HydrophobicContact CE2-CD1 3.64Å; F175-F199 AromaticContact CE2-CE1 3.56Å; F175-F199 HydrophobicContact CE2-CE1 3.56Å; F175-F199 AromaticContact CG-CD1 3.77Å; F175-F199 HydrophobicContact CG-CD1 3.77Å; F175-F199 AromaticContact CG-CE1 3.96Å; F175-F199 HydrophobicContact CG-CE1 3.96Å; F175-F199 AromaticContact CZ-CD1 3.63Å; F175-F199 HydrophobicContact CZ-CD1 3.63Å; F175-F199 HydrophobicContact CZ-CE1 4.05Å; L195-F199 WeakPolarHBondContact O-CB 3.48Å; L195-F199 PolarHBondContact O-N 3.11Å; F199-E201 PolarHBondContact O-N 3.23Å; F199-L202 PolarHBondContact O-N 3.46Å; F199-M203 HydrophobicContact CD1-CG 4.42Å; F199-M203 HydrophobicContact CD2-CE 3.88Å; F199-M203 HydrophobicContact CE1-CE 4.45Å; F199-M203 HydrophobicContact CE1-CG 4.18Å; F199-M203 HydrophobicContact CE1-SD 4.36Å; F199-M203 HydrophobicContact CE2-CE 3.32Å; F199-M203 HydrophobicContact CE2-SD 4.2Å; F199-M203 HydrophobicContact CZ-CE 3.65Å; F199-M203 HydrophobicContact CZ-CG 4.26Å; F199-M203 HydrophobicContact CZ-SD 3.9Å; F199-M203 WeakPolarHBondContact O-CG 3.48Å; F199-M203 PolarHBondContact O-N 2.99Å; F199-M221 HydrophobicContact CB-CE 4.33Å; F199-M221 HydrophobicContact CB-SD 4.12Å; F199-M221 HydrophobicContact CD2-CE 4.14Å; F199-F248 HydrophobicContact CB-CZ 4.3Å; F199-F248 HydrophobicContact CD1-CZ 4.4Å; F199-F248 AromaticContact CD2-CE1 3.98Å; F199-F248 HydrophobicContact CD2-CE1 3.98Å; F199-F248 AromaticContact CD2-CZ 3.5Å; F199-F248 HydrophobicContact CD2-CZ 3.5Å; F199-F248 VanDerWaalsContact CD2-CZ 3.5Å; F199-F248 AromaticContact CE2-CE1 3.76Å; F199-F248 HydrophobicContact CE2-CE1 3.76Å; F199-F248 AromaticContact CE2-CZ 3.8Å; F199-F248 HydrophobicContact CE2-CZ 3.8Å; F199-F248 HydrophobicContact CG-CE1 4.49Å; F199-F248 AromaticContact CG-CZ 3.82Å; F199-F248 HydrophobicContact CG-CZ 3.82Å; F199-F248 HydrophobicContact CZ-CE1 4.13Å; F199-F248 HydrophobicContact CZ-CZ 4.39Å; F199-L252 HydrophobicContact CD1-CD1 4.35Å; F199-L252 HydrophobicContact CD1-CD2 4.49Å; F199-L252 HydrophobicContact CE1-CD1 4.32Å
200	G	93.6	Very high	90.9	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-64	-38.5	175.6	0	0	0	0	0	113.6	V196 Q197 M203 R204	V196-G200 PolarHBondContact O-N 2.87Å; Q197-G200 PolarHBondContact O-N 3.17Å; G200-M203 PolarHBondContact O-N 2.77Å; G200-R204 WeakPolarHBondContact O-CG 3.33Å; G200-R204 VanDerWaalsContact O-CZ 3.29Å; G200-R204 PolarHBondContact O-N 2.85Å; G200-R204 VanDerWaalsContact O-N 3.08Å; G200-R204 PolarHBondContact O-NH1 3.17Å
201	E	92.5	Very high	91.2	Very high	57 Å²	57	30.5 Å²	30.5	27%	0.266	14%	0.141	S	C	.	.	H	α-helix	trans	-61.1	-45.5	172.6	-72.8	171.2	174.1	0	0	111.8	Q197 R198 F199 R204 K205	Q197-E201 WeakPolarHBondContact O-CG 3.49Å; Q197-E201 PolarHBondContact O-N 3.3Å; R198-E201 WeakPolarHBondContact CD-OE2 3.42Å; R198-E201 IonicContact CZ-OE2 2.72Å; R198-E201 IonicContact NE-OE2 3.3Å; R198-E201 IonicContact NH1-OE1 3.2Å; R198-E201 IonicContact NH1-OE2 3.84Å; R198-E201 PolarHBondContact NH1-OE2 3.24Å; R198-E201 PolarHBondContact O-N 3.28Å; F199-E201 PolarHBondContact O-N 3.23Å; E201-R204 PolarHBondContact O-N 2.75Å; E201-K205 WeakPolarHBondContact O-CG 3.38Å; E201-K205 PolarHBondContact O-N 2.96Å
202	L	94.4	Very high	91.4	Very high	6 Å²	6	27.8 Å²	27.8	3%	0.031	13%	0.127	C	C	.	.	H	α-helix	trans	-61.3	-45	176.4	-178.5	62.8	0	0	0	111.7	L149 L162 R198 F199 R204 K205 L206 V216 P218 M221	L149-L202 HydrophobicContact CD2-CD1 4.17Å; L162-L202 HydrophobicContact CB-CD2 4.4Å; L162-L202 HydrophobicContact CD1-CD2 3.89Å; R198-L202 WeakPolarHBondContact O-CB 3.36Å; R198-L202 PolarHBondContact O-N 2.91Å; F199-L202 PolarHBondContact O-N 3.46Å; L202-R204 VanDerWaalsContact C-N 3.29Å; L202-R204 PolarHBondContact O-N 2.85Å; L202-K205 PolarHBondContact O-N 3.4Å; L202-L206 HydrophobicContact CD1-CD1 4.44Å; L202-L206 HydrophobicContact CD1-CG 4.25Å; L202-L206 HydrophobicContact CG-CD1 4.1Å; L202-L206 HydrophobicContact CG-CG 4.35Å; L202-L206 WeakPolarHBondContact O-CG 3.11Å; L202-L206 PolarHBondContact O-N 2.89Å; L202-V216 HydrophobicContact CD1-CG1 3.93Å; L202-P218 HydrophobicContact CD1-CB 4.21Å; L202-P218 HydrophobicContact CD2-CB 4.27Å; L202-M221 HydrophobicContact CD2-CB 4.1Å; L202-M221 HydrophobicContact CD2-CG 3.9Å
203	M	94.8	Very high	91.5	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-57	-44.3	176.4	-68	-57.3	102.4	0	0	111.6	S166 F175 L176 F199 G200 K205 L206 W207	S166-M203 VanDerWaalsContact CA-SD 3.57Å; S166-M203 VanDerWaalsContact CB-SD 3.54Å; S166-M203 PolarHBondContact OG-SD 3.21Å; F175-M203 HydrophobicContact CB-CB 4.27Å; F175-M203 HydrophobicContact CB-CG 3.87Å; L176-M203 HydrophobicContact CD2-CB 4.25Å; F199-M203 HydrophobicContact CD1-CG 4.42Å; F199-M203 HydrophobicContact CD2-CE 3.88Å; F199-M203 HydrophobicContact CE1-CE 4.45Å; F199-M203 HydrophobicContact CE1-CG 4.18Å; F199-M203 HydrophobicContact CE1-SD 4.36Å; F199-M203 HydrophobicContact CE2-CE 3.32Å; F199-M203 HydrophobicContact CE2-SD 4.2Å; F199-M203 HydrophobicContact CZ-CE 3.65Å; F199-M203 HydrophobicContact CZ-CG 4.26Å; F199-M203 HydrophobicContact CZ-SD 3.9Å; F199-M203 WeakPolarHBondContact O-CG 3.48Å; F199-M203 PolarHBondContact O-N 2.99Å; G200-M203 PolarHBondContact O-N 2.77Å; M203-K205 VanDerWaalsContact C-N 3.35Å; M203-K205 PolarHBondContact O-N 3.32Å; M203-L206 HydrophobicContact CE-CD1 3.94Å; M203-L206 PolarHBondContact O-N 2.84Å; M203-W207 PolarHBondContact O-N 3.29Å; M203-W207 VanDerWaalsContact O-N 3.07Å
204	R	94.2	Very high	91.5	Very high	8 Å²	8	28.1 Å²	28.1	3%	0.03	13%	0.132	C	C	.	.	H	α-helix	trans	-67.1	-34.8	179.5	-73.2	-171	-60.2	-83.6	-1.2	112.7	P117 F119 F175 L176 Y181 G200 E201 L202 N208	P117-R204 HydrophobicContact CB-CB 4.21Å; P117-R204 VanDerWaalsContact O-CD 3.24Å; P117-R204 WeakPolarHBondContact O-CD 3.3Å; F119-R204 HydrophobicContact CD2-CB 4.35Å; F119-R204 HydrophobicContact CD2-CG 3.88Å; F119-R204 HydrophobicContact CE2-CB 3.8Å; F119-R204 HydrophobicContact CE2-CG 3.81Å; F119-R204 WeakPolarHBondContact CE2-O 3.12Å; F175-R204 PolarHBondContact O-NH1 3.04Å; L176-R204 HydrophobicContact CD2-CB 4.45Å; L176-R204 HydrophobicContact CD2-CG 3.84Å; L176-R204 WeakPolarHBondContact O-CD 3.28Å; Y181-R204 PolarHBondContact OH-NH1 2.78Å; Y181-R204 PolarHBondContact OH-NH2 3.4Å; G200-R204 WeakPolarHBondContact O-CG 3.33Å; G200-R204 VanDerWaalsContact O-CZ 3.29Å; G200-R204 PolarHBondContact O-N 2.85Å; G200-R204 VanDerWaalsContact O-N 3.08Å; G200-R204 PolarHBondContact O-NH1 3.17Å; E201-R204 PolarHBondContact O-N 2.75Å; L202-R204 VanDerWaalsContact C-N 3.29Å; L202-R204 PolarHBondContact O-N 2.85Å; R204-N208 WeakPolarHBondContact O-CB 3.18Å; R204-N208 PolarHBondContact O-N 2.9Å
205	K	92.9	Very high	91.5	Very high	14 Å²	14	28.6 Å²	28.6	6%	0.061	13%	0.132	C	C	.	.	H	α-helix	trans	-69.8	-42.8	173.9	-71.4	176.6	170.8	-169.1	0	112.3	F40 D41 P117 E201 L202 M203 W207 N208 N211 V216 E220	F40-K205 PolarHBondContact O-NZ 3.03Å; D41-K205 WeakPolarHBondContact OD1-CD 3.4Å; D41-K205 VanDerWaalsContact OD1-CE 3.31Å; D41-K205 WeakPolarHBondContact OD1-CE 3.14Å; D41-K205 IonicContact OD1-NZ 2.75Å; D41-K205 PolarHBondContact OD1-NZ 2.85Å; P117-K205 HydrophobicContact CG-CG 4.43Å; E201-K205 WeakPolarHBondContact O-CG 3.38Å; E201-K205 PolarHBondContact O-N 2.96Å; L202-K205 PolarHBondContact O-N 3.4Å; M203-K205 VanDerWaalsContact C-N 3.35Å; M203-K205 PolarHBondContact O-N 3.32Å; K205-W207 PolarHBondContact O-N 3.11Å; K205-N208 WeakPolarHBondContact O-CB 3.05Å; K205-N208 PolarHBondContact O-N 2.88Å; K205-N211 PolarHBondContact O-ND2 2.9Å; K205-V216 HydrophobicContact CB-CG1 3.93Å; K205-V216 HydrophobicContact CB-CG2 4.38Å; K205-V216 HydrophobicContact CD-CG1 4.39Å; K205-E220 IonicContact NZ-OE2 3.95Å
206	L	93.4	Very high	91.4	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-62.1	-42	177.8	-75.2	175.3	0	0	0	112.5	G145 V147 L149 L202 M203 N208 V216	G145-L206 PolarHBondContact N-O 3.29Å; V147-L206 HydrophobicContact CG2-CB 4.49Å; V147-L206 HydrophobicContact CG2-CD2 3.4Å; L149-L206 HydrophobicContact CD2-CD2 3.81Å; L149-L206 HydrophobicContact CG-CD2 4.27Å; L202-L206 HydrophobicContact CD1-CD1 4.44Å; L202-L206 HydrophobicContact CD1-CG 4.25Å; L202-L206 HydrophobicContact CG-CD1 4.1Å; L202-L206 HydrophobicContact CG-CG 4.35Å; L202-L206 WeakPolarHBondContact O-CG 3.11Å; L202-L206 PolarHBondContact O-N 2.89Å; M203-L206 HydrophobicContact CE-CD1 3.94Å; M203-L206 PolarHBondContact O-N 2.84Å; L206-N208 VanDerWaalsContact C-N 3.33Å; L206-V216 HydrophobicContact CD2-CB 4.34Å; L206-V216 HydrophobicContact CD2-CG2 4.39Å
207	W	93.4	Very high	91.4	Very high	5 Å²	5	29 Å²	29	2%	0.019	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.6	11.6	-178.4	-71.8	86.2	0	0	0	113.7	F119 L127 P144 S166 R172 L176 M203 K205 P209	F119-W207 HydrophobicContact CE1-CB 4.42Å; F119-W207 WeakPolarHBondContact CE1-O 2.78Å; F119-W207 HydrophobicContact CZ-CB 4.15Å; F119-W207 VanDerWaalsContact CZ-O 3.28Å; F119-W207 WeakPolarHBondContact CZ-O 3.28Å; L127-W207 HydrophobicContact CB-CE3 4.39Å; L127-W207 HydrophobicContact CB-CZ3 4.27Å; L127-W207 HydrophobicContact CD1-CD2 4.47Å; L127-W207 HydrophobicContact CD1-CE3 3.97Å; L127-W207 HydrophobicContact CD2-CE3 4.11Å; L127-W207 HydrophobicContact CG-CE3 4.38Å; P144-W207 HydrophobicContact CB-CE3 4.4Å; S166-W207 PolarHBondContact O-NE1 3.44Å; S166-W207 PolarHBondContact OG-NE1 3.08Å; R172-W207 VanDerWaalsContact CD-CZ2 3.47Å; R172-W207 HydrophobicContact CG-CG 4.48Å; L176-W207 HydrophobicContact CD2-CB 4.09Å; M203-W207 PolarHBondContact O-N 3.29Å; M203-W207 VanDerWaalsContact O-N 3.07Å; K205-W207 PolarHBondContact O-N 3.11Å; W207-P209 WeakPolarHBondContact O-CD 3.44Å
208	N	91.9	Very high	91.4	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	12%	0.117	C	C	.	.			trans	-75.3	119.9	-179.9	-180	10.1	0	0	0	111.5	Y113 P117 Y142 R204 K205 L206 R210 N211	Y113-N208 WeakPolarHBondContact CE1-OD1 3.39Å; P117-N208 HydrophobicContact CB-CB 4.32Å; P117-N208 HydrophobicContact CG-CB 4.26Å; Y142-N208 WeakPolarHBondContact CE2-O 3.27Å; Y142-N208 PolarHBondContact OH-O 3.08Å; R204-N208 WeakPolarHBondContact O-CB 3.18Å; R204-N208 PolarHBondContact O-N 2.9Å; K205-N208 WeakPolarHBondContact O-CB 3.05Å; K205-N208 PolarHBondContact O-N 2.88Å; L206-N208 VanDerWaalsContact C-N 3.33Å; N208-R210 PolarHBondContact O-N 3.47Å; N208-R210 PolarHBondContact OD1-N 3.49Å; N208-N211 VanDerWaalsContact CB-OD1 3.3Å; N208-N211 WeakPolarHBondContact CB-OD1 3.33Å; N208-N211 PolarHBondContact ND2-OD1 3.32Å; N208-N211 PolarHBondContact O-ND2 2.92Å
209	P	89.4	Confident	91.2	Very high	52 Å²	52	24.6 Å²	24.6	34%	0.338	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-2.1	176.5	32.8	-36	0	0	0	114.4	S134 Y142 P144 W207	S134-P209 VanDerWaalsContact CB-O 3.32Å; S134-P209 WeakPolarHBondContact CB-O 3.29Å; S134-P209 WeakPolarHBondContact OG-CA 3.29Å; S134-P209 PolarHBondContact OG-O 3.25Å; Y142-P209 PolarHBondContact OH-O 2.81Å; P144-P209 HydrophobicContact CG-CB 4.1Å; W207-P209 WeakPolarHBondContact O-CD 3.44Å
210	R	89.4	Confident	90.9	Very high	150 Å²	150	25.3 Å²	25.3	57%	0.566	12%	0.12	S	C	*	.	T	Hydrogen-bonded Turn	trans	-124.3	33.8	-176.9	-56.2	-178.1	-173.6	173.4	-0.5	112.4	Y113 V114 Y142 N208	Y113-R210 HydrophobicContact CD1-CB 4Å; Y113-R210 HydrophobicContact CD1-CG 4.33Å; Y113-R210 HydrophobicContact CE1-CB 3.99Å; Y113-R210 HydrophobicContact CE1-CG 4.06Å; V114-R210 WeakPolarHBondContact CG2-O 3.24Å; Y142-R210 PolarHBondContact OH-N 3.48Å; N208-R210 PolarHBondContact O-N 3.47Å; N208-R210 PolarHBondContact OD1-N 3.49Å
211	N	87.7	Confident	90.9	Very high	13 Å²	13	25.5 Å²	25.5	7%	0.07	12%	0.121	C	C	.	.			trans	-67	141.3	176	-74.4	-34.1	0	0	0	110.5	Y142 K205 N208 K213	Y142-N211 HydrophobicContact CE1-CB 4.3Å; Y142-N211 WeakPolarHBondContact OH-CB 3.37Å; Y142-N211 PolarHBondContact OH-N 3.39Å; K205-N211 PolarHBondContact O-ND2 2.9Å; N208-N211 VanDerWaalsContact CB-OD1 3.3Å; N208-N211 WeakPolarHBondContact CB-OD1 3.33Å; N208-N211 PolarHBondContact ND2-OD1 3.32Å; N208-N211 PolarHBondContact O-ND2 2.92Å; N211-K213 VanDerWaalsContact C-N 3.28Å; N211-K213 VanDerWaalsContact CB-O 3.24Å; N211-K213 WeakPolarHBondContact CB-O 3.41Å
212	F	88.1	Confident	90.9	Very high	19 Å²	19	23 Å²	23	8%	0.083	11%	0.11	C	C	.	.	S	Bend	trans	-71.7	-26.1	173.9	-66.3	-19.5	0	0	0	112.7	R35 L38 F40 I111 V114 Y137	R35-F212 HydrophobicContact CB-CE2 4.47Å; R35-F212 HydrophobicContact CG-CZ 4.29Å; L38-F212 HydrophobicContact CB-CD2 4.2Å; L38-F212 HydrophobicContact CB-CE2 4.32Å; L38-F212 HydrophobicContact CD1-CE2 4.03Å; F40-F212 HydrophobicContact CE2-CE2 4.31Å; I111-F212 HydrophobicContact CB-CZ 4.48Å; I111-F212 HydrophobicContact CG1-CE2 4.13Å; I111-F212 HydrophobicContact CG1-CZ 3.84Å; V114-F212 HydrophobicContact CB-CD2 4.5Å; V114-F212 HydrophobicContact CB-CE2 4.27Å; V114-F212 HydrophobicContact CB-CZ 4.35Å; V114-F212 HydrophobicContact CG1-CD2 4.21Å; V114-F212 HydrophobicContact CG1-CE2 4.42Å; V114-F212 HydrophobicContact CG1-CG 4.48Å; V114-F212 HydrophobicContact CG2-CD1 3.81Å; V114-F212 HydrophobicContact CG2-CD2 4.23Å; V114-F212 HydrophobicContact CG2-CE1 3.63Å; V114-F212 HydrophobicContact CG2-CE2 4.06Å; V114-F212 HydrophobicContact CG2-CG 4.11Å; V114-F212 HydrophobicContact CG2-CZ 3.76Å; Y137-F212 PolarHBondContact N-O 3.15Å
213	K	86.8	Confident	90.6	Very high	54 Å²	54	25.3 Å²	25.3	24%	0.235	12%	0.12	C	C	.	.	S	Bend	trans	-126.7	148.3	178.2	-56.2	-179.4	-171.8	176.7	0	109.8	D39 N211 H215	D39-K213 IonicContact OD2-NZ 3.85Å; D39-K213 PolarHBondContact OD2-NZ 3.44Å; N211-K213 VanDerWaalsContact C-N 3.28Å; N211-K213 VanDerWaalsContact CB-O 3.24Å; N211-K213 WeakPolarHBondContact CB-O 3.41Å; K213-H215 PolarHBondContact O-N 3.38Å; K213-H215 VanDerWaalsContact O-N 3.13Å
214	A	87.3	Confident	90.4	Very high	25 Å²	25	25.3 Å²	25.3	21%	0.207	12%	0.12	C	C	.	.	S	Bend	trans	-77.1	15.4	176.4	0	0	0	0	0	114.5	T140 Y142	T140-A214 WeakPolarHBondContact OG1-CB 3.4Å; Y142-A214 HydrophobicContact CD1-CB 4.05Å; Y142-A214 HydrophobicContact CG-CB 4.17Å
215	H	89.3	Confident	90.4	Very high	63 Å²	63	25.1 Å²	25.1	29%	0.292	12%	0.12	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	158.4	176.9	60.1	-93.6	0	0	0	110.5	G148 K213 L454	G148-H215 VanDerWaalsContact O-CA 3.3Å; G148-H215 WeakPolarHBondContact O-CA 3.48Å; G148-H215 WeakPolarHBondContact O-CB 3.36Å; K213-H215 PolarHBondContact O-N 3.38Å; K213-H215 VanDerWaalsContact O-N 3.13Å; H215-L454 HydrophobicContact CB-CD2 3.55Å
216	V	91.5	Very high	90.3	Very high	2 Å²	2	26.1 Å²	26.1	1%	0.012	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	139.4	179.6	178.1	0	0	0	0	109.2	V147 G148 L149 N150 L202 K205 L206	V147-V216 HydrophobicContact CG2-CG2 4.23Å; G148-V216 PolarHBondContact O-N 3.49Å; L149-V216 VanDerWaalsContact CA-O 3.32Å; L149-V216 WeakPolarHBondContact CA-O 3.46Å; L149-V216 HydrophobicContact CD2-CB 4.09Å; L149-V216 HydrophobicContact CD2-CG1 4.36Å; L149-V216 WeakPolarHBondContact CD2-O 3.23Å; N150-V216 PolarHBondContact N-O 2.95Å; L202-V216 HydrophobicContact CD1-CG1 3.93Å; K205-V216 HydrophobicContact CB-CG1 3.93Å; K205-V216 HydrophobicContact CB-CG2 4.38Å; K205-V216 HydrophobicContact CD-CG1 4.39Å; L206-V216 HydrophobicContact CD2-CB 4.34Å; L206-V216 HydrophobicContact CD2-CG2 4.39Å
217	S	90.7	Very high	90.2	Very high	6 Å²	6	30.5 Å²	30.5	4%	0.042	15%	0.15	C	C	.	.			trans	-95.6	120.1	173.3	175.9	0	0	0	0	110.6	D41 H219	D41-S217 PolarHBondContact OD2-N 3.26Å; S217-H219 PolarHBondContact O-N 3.23Å; S217-H219 VanDerWaalsContact O-N 3.11Å
218	P	91.2	Very high	90.1	Very high	2 Å²	2	30.6 Å²	30.6	1%	0.013	15%	0.152	C	C	.	.			trans	-82.4	22.2	-178.5	32.5	-32	0	0	0	112.9	L149 N150 N159 L202 E220 M221 L222	L149-P218 HydrophobicContact CB-CG 4.46Å; L149-P218 HydrophobicContact CD2-CB 4.2Å; L149-P218 HydrophobicContact CD2-CG 4.16Å; N150-P218 WeakPolarHBondContact O-CD 3.03Å; N159-P218 WeakPolarHBondContact OD1-CG 3.25Å; L202-P218 HydrophobicContact CD1-CB 4.21Å; L202-P218 HydrophobicContact CD2-CB 4.27Å; P218-E220 PolarHBondContact O-N 3.34Å; P218-M221 WeakPolarHBondContact O-CB 3.32Å; P218-M221 PolarHBondContact O-N 3.3Å; P218-M221 VanDerWaalsContact O-N 3.09Å; P218-L222 HydrophobicContact CB-CD1 4.38Å; P218-L222 HydrophobicContact CB-CG 4.39Å; P218-L222 HydrophobicContact CG-CD1 3.94Å; P218-L222 HydrophobicContact CG-CG 4.46Å; P218-L222 WeakPolarHBondContact O-CG 3.14Å; P218-L222 PolarHBondContact O-N 3.11Å
219	H	88.9	Confident	89.9	Confident	40 Å²	40	30.9 Å²	30.9	19%	0.185	15%	0.153	C	C	.	.	H	α-helix	trans	-55.6	-51.4	-169.9	-168	81.3	0	0	0	113.2	I152 S217 M221 L222 Q223	I152-H219 HydrophobicContact CD1-CB 4.15Å; I152-H219 VanDerWaalsContact CD1-ND1 3.31Å; I152-H219 WeakPolarHBondContact CD1-ND1 3.4Å; S217-H219 PolarHBondContact O-N 3.23Å; S217-H219 VanDerWaalsContact O-N 3.11Å; H219-M221 VanDerWaalsContact C-N 3.27Å; H219-M221 PolarHBondContact O-N 3.33Å; H219-L222 PolarHBondContact O-N 3.36Å; H219-Q223 PolarHBondContact CD2-NE2 3.21Å; H219-Q223 PolarHBondContact NE2-NE2 3.4Å; H219-Q223 WeakPolarHBondContact O-CG 3.34Å; H219-Q223 PolarHBondContact O-N 3.18Å
220	E	88.6	Confident	89.9	Confident	15 Å²	15	37 Å²	37	7%	0.07	18%	0.175	C	C	.	.	H	α-helix	trans	-60.1	-37.1	178.6	-64.2	-174.3	115	0	0	112.4	R198 K205 P218 A224	R198-E220 IonicContact CZ-OE1 3.56Å; R198-E220 IonicContact NH1-OE1 3.3Å; R198-E220 PolarHBondContact NH1-OE1 2.95Å; R198-E220 IonicContact NH1-OE2 3.49Å; R198-E220 PolarHBondContact NH1-OE2 2.83Å; R198-E220 IonicContact NH2-OE1 3.39Å; R198-E220 PolarHBondContact NH2-OE1 3.07Å; K205-E220 IonicContact NZ-OE2 3.95Å; P218-E220 PolarHBondContact O-N 3.34Å; E220-A224 PolarHBondContact O-N 2.95Å; E220-A224 VanDerWaalsContact O-N 3.15Å
221	M	92.4	Very high	89.8	Confident	5 Å²	5	37 Å²	37	3%	0.025	18%	0.179	C	C	.	.	H	α-helix	trans	-66.9	-45	176.5	173.8	57.4	-168.8	0	0	111.1	L162 L195 R198 F199 L202 P218 H219 Q223 A224 V225 F248	L162-M221 HydrophobicContact CD1-CG 4.03Å; L162-M221 HydrophobicContact CD2-CE 3.69Å; L195-M221 HydrophobicContact CD1-CE 3.83Å; L195-M221 HydrophobicContact CD1-SD 4.3Å; R198-M221 HydrophobicContact CB-CB 4.47Å; R198-M221 HydrophobicContact CB-SD 4.07Å; F199-M221 HydrophobicContact CB-CE 4.33Å; F199-M221 HydrophobicContact CB-SD 4.12Å; F199-M221 HydrophobicContact CD2-CE 4.14Å; L202-M221 HydrophobicContact CD2-CB 4.1Å; L202-M221 HydrophobicContact CD2-CG 3.9Å; P218-M221 WeakPolarHBondContact O-CB 3.32Å; P218-M221 PolarHBondContact O-N 3.3Å; P218-M221 VanDerWaalsContact O-N 3.09Å; H219-M221 VanDerWaalsContact C-N 3.27Å; H219-M221 PolarHBondContact O-N 3.33Å; M221-Q223 PolarHBondContact O-N 3.42Å; M221-A224 WeakPolarHBondContact O-CB 3.31Å; M221-A224 PolarHBondContact O-N 2.96Å; M221-V225 HydrophobicContact CE-CG2 3.7Å; M221-V225 WeakPolarHBondContact O-CG2 3.47Å; M221-V225 PolarHBondContact O-N 3.17Å; M221-F248 HydrophobicContact CE-CD2 4.22Å; M221-F248 HydrophobicContact CE-CE2 3.25Å; M221-F248 HydrophobicContact CE-CZ 3.51Å
222	L	91.8	Very high	89.7	Confident	5 Å²	5	41.3 Å²	41.3	3%	0.026	21%	0.206	C	C	.	.	H	α-helix	trans	-67.3	-36	178.9	-66.4	170	0	0	0	112.4	I152 N155 A158 P218 H219 A224 V225 V226 I235	I152-L222 HydrophobicContact CD1-CD1 3.85Å; N155-L222 HydrophobicContact CB-CD1 3.86Å; N155-L222 HydrophobicContact CB-CD2 4.24Å; N155-L222 VanDerWaalsContact ND2-CD1 3.26Å; N155-L222 WeakPolarHBondContact ND2-CD1 3.38Å; A158-L222 HydrophobicContact CB-CD2 3.87Å; P218-L222 HydrophobicContact CB-CD1 4.38Å; P218-L222 HydrophobicContact CB-CG 4.39Å; P218-L222 HydrophobicContact CG-CD1 3.94Å; P218-L222 HydrophobicContact CG-CG 4.46Å; P218-L222 WeakPolarHBondContact O-CG 3.14Å; P218-L222 PolarHBondContact O-N 3.11Å; H219-L222 PolarHBondContact O-N 3.36Å; L222-A224 VanDerWaalsContact C-N 3.34Å; L222-A224 PolarHBondContact O-N 3.02Å; L222-V225 WeakPolarHBondContact O-CB 3.47Å; L222-V225 PolarHBondContact O-N 3.07Å; L222-V226 VanDerWaalsContact O-CG2 3.31Å; L222-V226 WeakPolarHBondContact O-CG2 3.38Å; L222-V226 PolarHBondContact O-N 3.48Å; L222-I235 HydrophobicContact CB-CD1 3.99Å; L222-I235 HydrophobicContact CB-CG1 4.01Å
223	Q	89.5	Confident	89.8	Confident	53 Å²	53	41.2 Å²	41.2	25%	0.248	21%	0.205	C	C	.	.	H	α-helix	trans	-60.2	-44.5	171.6	-72.5	-177.2	-20.8	0	0	111.4	E43 H219 M221 V225 V226 L227 I235	E43-Q223 PolarHBondContact OE2-NE2 3.44Å; H219-Q223 PolarHBondContact CD2-NE2 3.21Å; H219-Q223 PolarHBondContact NE2-NE2 3.4Å; H219-Q223 WeakPolarHBondContact O-CG 3.34Å; H219-Q223 PolarHBondContact O-N 3.18Å; M221-Q223 PolarHBondContact O-N 3.42Å; Q223-V225 VanDerWaalsContact C-N 3.3Å; Q223-V225 PolarHBondContact O-N 3.17Å; Q223-V226 PolarHBondContact O-N 2.83Å; Q223-L227 PolarHBondContact O-N 2.92Å; Q223-I235 HydrophobicContact CG-CD1 4.38Å
224	A	90.9	Very high	89.8	Confident	1 Å²	1	42.6 Å²	42.6	1%	0.008	21%	0.213	C	C	.	.	H	α-helix	trans	-62.3	-38.8	175	0	0	0	0	0	111.8	L194 L195 R198 E220 M221 L222 L227 C228	L194-A224 HydrophobicContact CD2-CB 4.12Å; L194-A224 HydrophobicContact CG-CB 4.01Å; L195-A224 HydrophobicContact CD1-CB 4.46Å; R198-A224 HydrophobicContact CB-CB 4.13Å; R198-A224 HydrophobicContact CG-CB 3.81Å; E220-A224 PolarHBondContact O-N 2.95Å; E220-A224 VanDerWaalsContact O-N 3.15Å; M221-A224 WeakPolarHBondContact O-CB 3.31Å; M221-A224 PolarHBondContact O-N 2.96Å; L222-A224 VanDerWaalsContact C-N 3.34Å; L222-A224 PolarHBondContact O-N 3.02Å; A224-L227 PolarHBondContact O-N 3.27Å; A224-C228 VanDerWaalsContact O-CB 3.28Å; A224-C228 WeakPolarHBondContact O-CB 3.17Å; A224-C228 PolarHBondContact O-N 3.37Å; A224-C228 PolarHBondContact O-SG 2.79Å
225	V	92.6	Very high	89.7	Confident	4 Å²	4	42.8 Å²	42.8	2%	0.024	21%	0.21	C	C	.	.	H	α-helix	trans	-59.9	-47.9	173.6	164.7	0	0	0	0	111.5	L195 M221 L222 Q223 L227 C228 S229 F233 F244 W247	L195-V225 HydrophobicContact CD1-CG2 3.88Å; M221-V225 HydrophobicContact CE-CG2 3.7Å; M221-V225 WeakPolarHBondContact O-CG2 3.47Å; M221-V225 PolarHBondContact O-N 3.17Å; L222-V225 WeakPolarHBondContact O-CB 3.47Å; L222-V225 PolarHBondContact O-N 3.07Å; Q223-V225 VanDerWaalsContact C-N 3.3Å; Q223-V225 PolarHBondContact O-N 3.17Å; V225-L227 VanDerWaalsContact C-N 3.32Å; V225-L227 PolarHBondContact O-N 2.89Å; V225-C228 PolarHBondContact O-N 3.34Å; V225-S229 WeakPolarHBondContact O-CB 3.08Å; V225-S229 PolarHBondContact O-N 3.26Å; V225-S229 PolarHBondContact O-OG 3.47Å; V225-F233 HydrophobicContact CG1-CB 3.8Å; V225-F244 HydrophobicContact CG1-CE2 3.76Å; V225-F244 HydrophobicContact CG2-CE2 4.06Å; V225-F244 HydrophobicContact CG2-CZ 4.3Å; V225-W247 HydrophobicContact CB-CH2 4.22Å; V225-W247 HydrophobicContact CB-CZ3 4.36Å; V225-W247 HydrophobicContact CG1-CH2 3.95Å; V225-W247 HydrophobicContact CG1-CZ3 3.82Å; V225-W247 HydrophobicContact CG2-CH2 4.17Å; V225-W247 HydrophobicContact CG2-CZ3 4.07Å
226	V	92.2	Very high	89.4	Confident	35 Å²	35	43.7 Å²	43.7	21%	0.212	22%	0.22	C	C	.	.	H	α-helix	trans	-59	-45.6	178.8	173.9	0	0	0	0	110.9	L222 Q223 S229 K230 K231 F233 I235	L222-V226 VanDerWaalsContact O-CG2 3.31Å; L222-V226 WeakPolarHBondContact O-CG2 3.38Å; L222-V226 PolarHBondContact O-N 3.48Å; Q223-V226 PolarHBondContact O-N 2.83Å; V226-S229 PolarHBondContact O-OG 3.48Å; V226-K230 PolarHBondContact O-N 2.82Å; V226-K231 HydrophobicContact CG1-CG 4.22Å; V226-K231 PolarHBondContact O-N 3.31Å; V226-F233 VanDerWaalsContact CG2-O 3.32Å; V226-F233 WeakPolarHBondContact CG2-O 3.32Å; V226-I235 HydrophobicContact CG2-CD1 4.39Å; V226-I235 HydrophobicContact CG2-CG1 3.83Å
227	L	90.7	Very high	89.2	Confident	92 Å²	92	50 Å²	50	48%	0.482	25%	0.247	S	C	.	.	H	α-helix	trans	-65.4	-51.1	-179.4	-175.6	67.1	0	0	0	111.6	L194 Q223 A224 V225 S229 K230	L194-L227 HydrophobicContact CD2-CD2 3.98Å; Q223-L227 PolarHBondContact O-N 2.92Å; A224-L227 PolarHBondContact O-N 3.27Å; V225-L227 VanDerWaalsContact C-N 3.32Å; V225-L227 PolarHBondContact O-N 2.89Å; L227-S229 PolarHBondContact O-N 3.07Å; L227-K230 PolarHBondContact O-N 2.92Å
228	C	90.4	Very high	89	Confident	7 Å²	7	52.9 Å²	52.9	5%	0.047	26%	0.26	C	S	.	.	H	α-helix	trans	-70.3	-31.9	-176.2	-64.2	0	0	0	0	112.6	I191 M192 A224 V225 K230 W247	I191-C228 PolarHBondContact O-SG 2.9Å; M192-C228 HydrophobicContact SD-CB 3.74Å; A224-C228 VanDerWaalsContact O-CB 3.28Å; A224-C228 WeakPolarHBondContact O-CB 3.17Å; A224-C228 PolarHBondContact O-N 3.37Å; A224-C228 PolarHBondContact O-SG 2.79Å; V225-C228 PolarHBondContact O-N 3.34Å; C228-K230 PolarHBondContact O-N 2.65Å; C228-W247 HydrophobicContact CB-CH2 4.35Å; C228-W247 HydrophobicContact CB-CZ2 3.99Å
229	S	89.5	Confident	88.8	Confident	5 Å²	5	53.7 Å²	53.7	4%	0.035	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	2.6	177.5	69.7	0	0	0	0	113.6	V225 V226 L227 K231 T232 F233	V225-S229 WeakPolarHBondContact O-CB 3.08Å; V225-S229 PolarHBondContact O-N 3.26Å; V225-S229 PolarHBondContact O-OG 3.47Å; V226-S229 PolarHBondContact O-OG 3.48Å; L227-S229 PolarHBondContact O-N 3.07Å; S229-K231 PolarHBondContact O-N 3.4Å; S229-T232 WeakPolarHBondContact O-CB 3.26Å; S229-T232 PolarHBondContact O-N 2.79Å; S229-T232 VanDerWaalsContact O-N 3.16Å; S229-T232 PolarHBondContact O-OG1 3.26Å; S229-T232 VanDerWaalsContact O-OG1 3.07Å; S229-F233 PolarHBondContact OG-N 3.2Å
230	K	88.3	Confident	88.9	Confident	181 Å²	181	53.5 Å²	53.5	79%	0.787	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.6	41.4	-174.9	-55.9	179.4	179.9	178.9	0	112.4	V226 L227 C228 T232	V226-K230 PolarHBondContact O-N 2.82Å; L227-K230 PolarHBondContact O-N 2.92Å; C228-K230 PolarHBondContact O-N 2.65Å; K230-T232 VanDerWaalsContact C-N 3.27Å; K230-T232 PolarHBondContact O-N 3.22Å
231	K	86.6	Confident	89	Confident	149 Å²	149	52.8 Å²	52.8	65%	0.648	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.8	16.5	-179.6	-49	178.5	179.2	-179.7	0	115.6	V226 S229 Q234	V226-K231 HydrophobicContact CG1-CG 4.22Å; V226-K231 PolarHBondContact O-N 3.31Å; S229-K231 PolarHBondContact O-N 3.4Å; K231-Q234 WeakPolarHBondContact O-CG 3.31Å; K231-Q234 PolarHBondContact O-NE2 2.8Å
232	T	87.3	Confident	89.1	Confident	105 Å²	105	53.5 Å²	53.5	64%	0.644	27%	0.27	S	S	*	.	S	Bend	trans	-63.2	-46.2	169.4	-63.5	0	0	0	0	110.8	S229 K230	S229-T232 WeakPolarHBondContact O-CB 3.26Å; S229-T232 PolarHBondContact O-N 2.79Å; S229-T232 VanDerWaalsContact O-N 3.16Å; S229-T232 PolarHBondContact O-OG1 3.26Å; S229-T232 VanDerWaalsContact O-OG1 3.07Å; K230-T232 VanDerWaalsContact C-N 3.27Å; K230-T232 PolarHBondContact O-N 3.22Å
233	F	89.8	Confident	89.2	Confident	16 Å²	16	58.1 Å²	58.1	7%	0.07	30%	0.295	C	S	.	.	S	Bend	trans	-102.4	114.6	175	-58.8	-72.4	0	0	0	109	Y157 V225 V226 S229 D243 F244 W247	Y157-F233 AromaticContact CE2-CD1 3.96Å; Y157-F233 HydrophobicContact CE2-CD1 3.96Å; V225-F233 HydrophobicContact CG1-CB 3.8Å; V226-F233 VanDerWaalsContact CG2-O 3.32Å; V226-F233 WeakPolarHBondContact CG2-O 3.32Å; S229-F233 PolarHBondContact OG-N 3.2Å; F233-D243 HydrophobicContact CE1-CB 4.37Å; F233-D243 HydrophobicContact CZ-CB 4.31Å; F233-F244 HydrophobicContact CD1-CB 4.29Å; F233-F244 HydrophobicContact CD1-CD2 4.1Å; F233-F244 HydrophobicContact CD2-CD2 4.21Å; F233-F244 HydrophobicContact CE1-CB 3.87Å; F233-F244 HydrophobicContact CE1-CD2 4.33Å; F233-F244 HydrophobicContact CE2-CD2 4.46Å; F233-F244 HydrophobicContact CG-CD2 4.04Å; F233-F244 HydrophobicContact CZ-CB 4.23Å; F233-W247 AromaticContact CD2-CD2 3.95Å; F233-W247 HydrophobicContact CD2-CD2 3.95Å; F233-W247 AromaticContact CD2-CE3 3.85Å; F233-W247 HydrophobicContact CD2-CE3 3.85Å; F233-W247 HydrophobicContact CD2-CG 4.37Å; F233-W247 HydrophobicContact CD2-CZ3 4.33Å; F233-W247 HydrophobicContact CE2-CB 3.71Å; F233-W247 AromaticContact CE2-CD2 3.6Å; F233-W247 HydrophobicContact CE2-CD2 3.6Å; F233-W247 AromaticContact CE2-CE3 3.76Å; F233-W247 HydrophobicContact CE2-CE3 3.76Å; F233-W247 AromaticContact CE2-CG 3.57Å; F233-W247 HydrophobicContact CE2-CG 3.57Å; F233-W247 HydrophobicContact CZ-CB 4.1Å; F233-W247 HydrophobicContact CZ-CG 4.43Å
234	Q	86.1	Confident	89.4	Confident	84 Å²	84	55.6 Å²	55.6	39%	0.393	28%	0.283	S	S	.	.			trans	-109.4	148.1	180	-62.8	-179.5	31.9	0	0	110.3	K231 T236 K237	K231-Q234 WeakPolarHBondContact O-CG 3.31Å; K231-Q234 PolarHBondContact O-NE2 2.8Å; Q234-T236 PolarHBondContact O-N 2.85Å; Q234-K237 HydrophobicContact CB-CB 4.17Å; Q234-K237 PolarHBondContact O-N 3.4Å; Q234-K237 VanDerWaalsContact O-O 3.12Å
235	I	84.7	Confident	89.7	Confident	28 Å²	28	55.7 Å²	55.7	14%	0.144	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-33.1	178.5	-52.8	-177.9	0	0	0	111.1	I152 L222 Q223 V226	I152-I235 HydrophobicContact CB-CG2 3.97Å; I152-I235 HydrophobicContact CD1-CG2 3.91Å; I152-I235 HydrophobicContact CG2-CG2 4Å; L222-I235 HydrophobicContact CB-CD1 3.99Å; L222-I235 HydrophobicContact CB-CG1 4.01Å; Q223-I235 HydrophobicContact CG-CD1 4.38Å; V226-I235 HydrophobicContact CG2-CD1 4.39Å; V226-I235 HydrophobicContact CG2-CG1 3.83Å
236	T	84.3	Confident	89.8	Confident	82 Å²	82	56.6 Å²	56.6	50%	0.503	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.3	-1.3	-172.9	55.8	0	0	0	0	114.2	K153 Q234	K153-T236 HydrophobicContact CD-CG2 4Å; Q234-T236 PolarHBondContact O-N 2.85Å
237	K	86.4	Confident	89.9	Confident	136 Å²	136	57.6 Å²	57.6	59%	0.591	29%	0.29	S	S	*	.	S	Bend	trans	-126.8	132.1	-174.8	-170.7	-174.4	174.4	-177.1	0	109.9	Q234 G239	Q234-K237 HydrophobicContact CB-CB 4.17Å; Q234-K237 PolarHBondContact O-N 3.4Å; Q234-K237 VanDerWaalsContact O-O 3.12Å; K237-G239 PolarHBondContact O-N 2.89Å
238	Q	86.3	Confident	90.2	Very high	66 Å²	66	53.2 Å²	53.2	31%	0.308	27%	0.267	S	S	.	.			trans	-56.9	135.6	170.9	-84.1	-60.4	-15	0	0	111	A154 D156	A154-Q238 HydrophobicContact CB-CG 4.02Å; D156-Q238 PolarHBondContact OD1-NE2 2.84Å; D156-Q238 PolarHBondContact OD1-OE1 3.47Å; D156-Q238 VanDerWaalsContact OD1-OE1 3.12Å; D156-Q238 PolarHBondContact OD2-NE2 2.99Å
239	G	87	Confident	90.4	Very high	19 Å²	19	52.9 Å²	52.9	20%	0.196	27%	0.265	C	S	.	.			trans	-124.3	165.5	179.5	0	0	0	0	0	111	Y157 K237 Y436	Y157-G239 VanDerWaalsContact CD1-N 3.31Å; K237-G239 PolarHBondContact O-N 2.89Å; G239-Y436 PolarHBondContact O-OH 3.41Å
240	D	90.8	Very high	90.5	Very high	36 Å²	36	56.4 Å²	56.4	19%	0.193	28%	0.284	C	S	.	.			trans	-85.8	129.8	174	-176.7	-84	0	0	0	110.7	V242 D243 F244 Y470	D240-V242 PolarHBondContact O-N 3.49Å; D240-V242 WeakPolarHBondContact OD1-CA 3.35Å; D240-V242 VanDerWaalsContact OD1-CB 3.32Å; D240-V242 WeakPolarHBondContact OD1-CB 3.21Å; D240-V242 PolarHBondContact OD1-N 3.19Å; D240-D243 HydrophobicContact CB-CB 4.04Å; D240-D243 PolarHBondContact O-N 3Å; D240-D243 PolarHBondContact OD1-N 3.36Å; D240-F244 WeakPolarHBondContact O-CB 3.33Å; D240-F244 PolarHBondContact O-N 3.27Å; D240-Y470 VanDerWaalsContact CG-OH 3.23Å; D240-Y470 PolarHBondContact OD1-OH 3.35Å; D240-Y470 VanDerWaalsContact OD1-OH 3.1Å; D240-Y470 PolarHBondContact OD2-OH 2.96Å
241	G	91.8	Very high	90.7	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-64.5	-34.5	-178.9	0	0	0	0	0	114.2	L245 Y436	G241-L245 VanDerWaalsContact O-CB 3.26Å; G241-L245 WeakPolarHBondContact O-CB 3.37Å; G241-L245 PolarHBondContact O-N 3.42Å; G241-Y436 PolarHBondContact N-OH 3.39Å
242	V	93.7	Very high	90.9	Very high	19 Å²	19	40.9 Å²	40.9	12%	0.115	22%	0.217	C	C	.	.	H	α-helix	trans	-74	-42.6	179.1	172.9	0	0	0	0	110.2	D240 F244 L245 S246 C375 Y470 I471	D240-V242 PolarHBondContact O-N 3.49Å; D240-V242 WeakPolarHBondContact OD1-CA 3.35Å; D240-V242 VanDerWaalsContact OD1-CB 3.32Å; D240-V242 WeakPolarHBondContact OD1-CB 3.21Å; D240-V242 PolarHBondContact OD1-N 3.19Å; V242-F244 VanDerWaalsContact C-N 3.34Å; V242-L245 PolarHBondContact O-N 2.93Å; V242-S246 VanDerWaalsContact O-CB 3.31Å; V242-S246 WeakPolarHBondContact O-CB 3.25Å; V242-S246 PolarHBondContact O-N 2.92Å; V242-C375 HydrophobicContact CG1-CB 4.12Å; V242-C375 HydrophobicContact CG2-CB 3.89Å; V242-Y470 HydrophobicContact CG2-CD1 4.45Å; V242-Y470 HydrophobicContact CG2-CE1 3.75Å; V242-Y470 HydrophobicContact CG2-CE2 3.91Å; V242-Y470 VanDerWaalsContact CG2-CZ 3.42Å; V242-Y470 WeakPolarHBondContact CG2-OH 3.22Å; V242-I471 HydrophobicContact CG2-CD1 3.83Å; V242-I471 HydrophobicContact CG2-CG1 3.74Å
243	D	93.5	Very high	91	Very high	102 Å²	102	37.8 Å²	37.8	55%	0.545	20%	0.195	S	C	.	.	H	α-helix	trans	-61.7	-44.2	174.6	-72.6	-19.8	0	0	0	111	F233 D240 S246 W247	F233-D243 HydrophobicContact CE1-CB 4.37Å; F233-D243 HydrophobicContact CZ-CB 4.31Å; D240-D243 HydrophobicContact CB-CB 4.04Å; D240-D243 PolarHBondContact O-N 3Å; D240-D243 PolarHBondContact OD1-N 3.36Å; D243-S246 PolarHBondContact O-N 3.47Å; D243-W247 WeakPolarHBondContact O-CB 3.46Å; D243-W247 PolarHBondContact O-N 3.33Å
244	F	95.5	Very high	90.9	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-62.1	-48.1	176	177.9	-105.8	0	0	0	111.7	Y157 A158 V161 L162 V225 F233 D240 V242 S246 W247 F248	Y157-F244 HydrophobicContact CD2-CB 3.83Å; Y157-F244 HydrophobicContact CD2-CD1 4.47Å; Y157-F244 HydrophobicContact CD2-CG 4.05Å; Y157-F244 HydrophobicContact CE2-CB 3.85Å; Y157-F244 HydrophobicContact CE2-CD2 4.02Å; Y157-F244 AromaticContact CE2-CG 3.9Å; Y157-F244 HydrophobicContact CE2-CG 3.9Å; A158-F244 HydrophobicContact CB-CD1 4.22Å; A158-F244 HydrophobicContact CB-CE1 3.84Å; A158-F244 HydrophobicContact CB-CE2 4.26Å; A158-F244 HydrophobicContact CB-CZ 3.85Å; V161-F244 HydrophobicContact CB-CD1 3.73Å; V161-F244 HydrophobicContact CB-CE1 3.88Å; V161-F244 HydrophobicContact CG1-CD1 3.73Å; V161-F244 HydrophobicContact CG1-CE1 3.77Å; V161-F244 HydrophobicContact CG2-CD1 4.03Å; L162-F244 HydrophobicContact CG-CE1 4.43Å; V225-F244 HydrophobicContact CG1-CE2 3.76Å; V225-F244 HydrophobicContact CG2-CE2 4.06Å; V225-F244 HydrophobicContact CG2-CZ 4.3Å; F233-F244 HydrophobicContact CD1-CB 4.29Å; F233-F244 HydrophobicContact CD1-CD2 4.1Å; F233-F244 HydrophobicContact CD2-CD2 4.21Å; F233-F244 HydrophobicContact CE1-CB 3.87Å; F233-F244 HydrophobicContact CE1-CD2 4.33Å; F233-F244 HydrophobicContact CE2-CD2 4.46Å; F233-F244 HydrophobicContact CG-CD2 4.04Å; F233-F244 HydrophobicContact CZ-CB 4.23Å; D240-F244 WeakPolarHBondContact O-CB 3.33Å; D240-F244 PolarHBondContact O-N 3.27Å; V242-F244 VanDerWaalsContact C-N 3.34Å; F244-S246 PolarHBondContact O-N 3.39Å; F244-W247 HydrophobicContact CD2-CE3 4.04Å; F244-W247 HydrophobicContact CD2-CZ3 4.22Å; F244-W247 HydrophobicContact CE2-CE3 4.03Å; F244-W247 AromaticContact CE2-CZ3 3.76Å; F244-W247 HydrophobicContact CE2-CZ3 3.76Å; F244-W247 PolarHBondContact O-N 3.08Å; F244-F248 HydrophobicContact CZ-CB 4.47Å; F244-F248 HydrophobicContact CZ-CD2 4.39Å; F244-F248 HydrophobicContact CZ-CG 4.37Å; F244-F248 WeakPolarHBondContact O-CB 3.48Å; F244-F248 PolarHBondContact O-N 3.47Å
245	L	96.1	Very high	90.9	Very high	3 Å²	3	35.1 Å²	35.1	2%	0.016	19%	0.188	C	C	.	.	H	α-helix	trans	-58.3	-48.5	177.5	176.1	69.5	0	0	0	111.7	V161 L165 G241 V242 F248 L249 I373 I471	V161-L245 HydrophobicContact CG1-CB 4.11Å; V161-L245 HydrophobicContact CG1-CD1 3.74Å; V161-L245 HydrophobicContact CG2-CB 4.34Å; L165-L245 HydrophobicContact CD1-CD1 4.2Å; L165-L245 HydrophobicContact CD2-CD1 4.21Å; L165-L245 HydrophobicContact CG-CD1 4.41Å; G241-L245 VanDerWaalsContact O-CB 3.26Å; G241-L245 WeakPolarHBondContact O-CB 3.37Å; G241-L245 PolarHBondContact O-N 3.42Å; V242-L245 PolarHBondContact O-N 2.93Å; L245-F248 PolarHBondContact O-N 2.94Å; L245-L249 HydrophobicContact CD1-CD1 3.92Å; L245-L249 HydrophobicContact CD1-CG 4.05Å; L245-L249 HydrophobicContact CG-CD1 4.09Å; L245-L249 HydrophobicContact CG-CG 4.48Å; L245-L249 WeakPolarHBondContact O-CG 3.45Å; L245-L249 PolarHBondContact O-N 2.76Å; L245-I373 HydrophobicContact CD1-CD1 4.49Å; L245-I373 HydrophobicContact CD2-CD1 4.33Å; L245-I373 HydrophobicContact CD2-CG2 3.84Å; L245-I471 HydrophobicContact CD2-CD1 4.32Å; L245-I471 HydrophobicContact CD2-CG2 3.9Å
246	S	94.8	Very high	90.9	Very high	24 Å²	24	34.8 Å²	34.8	17%	0.168	19%	0.186	C	C	.	.	H	α-helix	trans	-61.9	-47.7	-179.1	-174.4	0	0	0	0	111.4	V242 D243 F244 F248 N250 Y312	V242-S246 VanDerWaalsContact O-CB 3.31Å; V242-S246 WeakPolarHBondContact O-CB 3.25Å; V242-S246 PolarHBondContact O-N 2.92Å; D243-S246 PolarHBondContact O-N 3.47Å; F244-S246 PolarHBondContact O-N 3.39Å; S246-F248 VanDerWaalsContact C-N 3.35Å; S246-F248 PolarHBondContact O-N 3.3Å; S246-N250 WeakPolarHBondContact O-CB 3.49Å; S246-N250 PolarHBondContact O-N 3.21Å; S246-N250 PolarHBondContact O-ND2 3.22Å; S246-Y312 WeakPolarHBondContact CB-OH 3.29Å; S246-Y312 WeakPolarHBondContact OG-CE1 3.39Å; S246-Y312 PolarHBondContact OG-OH 2.93Å
247	W	95.4	Very high	90.5	Very high	55 Å²	55	31.4 Å²	31.4	21%	0.208	17%	0.168	C	C	.	.	H	α-helix	trans	-60.6	-45.3	174.3	169	81.2	0	0	0	111.5	L195 V225 C228 F233 D243 F244 N250 A251	L195-W247 HydrophobicContact CD1-CH2 4.25Å; L195-W247 HydrophobicContact CD2-CH2 4.18Å; V225-W247 HydrophobicContact CB-CH2 4.22Å; V225-W247 HydrophobicContact CB-CZ3 4.36Å; V225-W247 HydrophobicContact CG1-CH2 3.95Å; V225-W247 HydrophobicContact CG1-CZ3 3.82Å; V225-W247 HydrophobicContact CG2-CH2 4.17Å; V225-W247 HydrophobicContact CG2-CZ3 4.07Å; C228-W247 HydrophobicContact CB-CH2 4.35Å; C228-W247 HydrophobicContact CB-CZ2 3.99Å; F233-W247 AromaticContact CD2-CD2 3.95Å; F233-W247 HydrophobicContact CD2-CD2 3.95Å; F233-W247 AromaticContact CD2-CE3 3.85Å; F233-W247 HydrophobicContact CD2-CE3 3.85Å; F233-W247 HydrophobicContact CD2-CG 4.37Å; F233-W247 HydrophobicContact CD2-CZ3 4.33Å; F233-W247 HydrophobicContact CE2-CB 3.71Å; F233-W247 AromaticContact CE2-CD2 3.6Å; F233-W247 HydrophobicContact CE2-CD2 3.6Å; F233-W247 AromaticContact CE2-CE3 3.76Å; F233-W247 HydrophobicContact CE2-CE3 3.76Å; F233-W247 AromaticContact CE2-CG 3.57Å; F233-W247 HydrophobicContact CE2-CG 3.57Å; F233-W247 HydrophobicContact CZ-CB 4.1Å; F233-W247 HydrophobicContact CZ-CG 4.43Å; D243-W247 WeakPolarHBondContact O-CB 3.46Å; D243-W247 PolarHBondContact O-N 3.33Å; F244-W247 HydrophobicContact CD2-CE3 4.04Å; F244-W247 HydrophobicContact CD2-CZ3 4.22Å; F244-W247 HydrophobicContact CE2-CE3 4.03Å; F244-W247 AromaticContact CE2-CZ3 3.76Å; F244-W247 HydrophobicContact CE2-CZ3 3.76Å; F244-W247 PolarHBondContact O-N 3.08Å; W247-N250 PolarHBondContact O-N 3.09Å; W247-A251 HydrophobicContact CZ2-CB 4.26Å; W247-A251 WeakPolarHBondContact O-CB 3.26Å; W247-A251 PolarHBondContact O-N 2.59Å
248	F	95.5	Very high	89.5	Confident	0 Å²	0	25.5 Å²	25.5	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-66.4	-45.1	-173.5	-172.8	-115.5	0	0	0	112.4	L162 L165 L195 F199 M221 F244 L245 S246 N250 A251 L252	L162-F248 HydrophobicContact CD2-CE1 3.98Å; L162-F248 HydrophobicContact CD2-CZ 3.98Å; L165-F248 HydrophobicContact CD1-CD1 3.52Å; L165-F248 HydrophobicContact CD1-CE1 3.64Å; L195-F248 HydrophobicContact CD1-CD2 4.38Å; L195-F248 HydrophobicContact CD1-CE2 3.86Å; L195-F248 HydrophobicContact CD2-CD2 3.99Å; L195-F248 HydrophobicContact CD2-CE2 3.82Å; L195-F248 HydrophobicContact CG-CD2 4.43Å; L195-F248 HydrophobicContact CG-CE2 3.81Å; F199-F248 HydrophobicContact CB-CZ 4.3Å; F199-F248 HydrophobicContact CD1-CZ 4.4Å; F199-F248 AromaticContact CD2-CE1 3.98Å; F199-F248 HydrophobicContact CD2-CE1 3.98Å; F199-F248 AromaticContact CD2-CZ 3.5Å; F199-F248 HydrophobicContact CD2-CZ 3.5Å; F199-F248 VanDerWaalsContact CD2-CZ 3.5Å; F199-F248 AromaticContact CE2-CE1 3.76Å; F199-F248 HydrophobicContact CE2-CE1 3.76Å; F199-F248 AromaticContact CE2-CZ 3.8Å; F199-F248 HydrophobicContact CE2-CZ 3.8Å; F199-F248 HydrophobicContact CG-CE1 4.49Å; F199-F248 AromaticContact CG-CZ 3.82Å; F199-F248 HydrophobicContact CG-CZ 3.82Å; F199-F248 HydrophobicContact CZ-CE1 4.13Å; F199-F248 HydrophobicContact CZ-CZ 4.39Å; M221-F248 HydrophobicContact CE-CD2 4.22Å; M221-F248 HydrophobicContact CE-CE2 3.25Å; M221-F248 HydrophobicContact CE-CZ 3.51Å; F244-F248 HydrophobicContact CZ-CB 4.47Å; F244-F248 HydrophobicContact CZ-CD2 4.39Å; F244-F248 HydrophobicContact CZ-CG 4.37Å; F244-F248 WeakPolarHBondContact O-CB 3.48Å; F244-F248 PolarHBondContact O-N 3.47Å; L245-F248 PolarHBondContact O-N 2.94Å; S246-F248 VanDerWaalsContact C-N 3.35Å; S246-F248 PolarHBondContact O-N 3.3Å; F248-N250 PolarHBondContact O-N 2.76Å; F248-A251 PolarHBondContact O-N 2.83Å; F248-L252 HydrophobicContact CD1-CD1 3.98Å; F248-L252 HydrophobicContact CE1-CD1 3.45Å; F248-L252 VanDerWaalsContact CE1-CD1 3.45Å; F248-L252 HydrophobicContact CE1-CG 4.15Å; F248-L252 HydrophobicContact CE2-CD1 4.29Å; F248-L252 HydrophobicContact CE2-CD2 4.27Å; F248-L252 HydrophobicContact CE2-CG 4.1Å; F248-L252 HydrophobicContact CZ-CD1 3.62Å; F248-L252 HydrophobicContact CZ-CD2 4.1Å; F248-L252 HydrophobicContact CZ-CG 3.92Å; F248-L252 WeakPolarHBondContact O-CB 3.31Å; F248-L252 WeakPolarHBondContact O-CG 3.41Å; F248-L252 PolarHBondContact O-N 3.27Å
249	L	94.1	Very high	88.2	Confident	1 Å²	1	26.9 Å²	26.9	1%	0.005	16%	0.159	C	C	.	.	H	α-helix	trans	-62.1	-42.5	176.1	-67.5	176.7	0	0	0	111.8	L165 L245 L252 H253 V267 F271 M311 I373	L165-L249 HydrophobicContact CD1-CD2 4.4Å; L165-L249 HydrophobicContact CD2-CD2 4.11Å; L245-L249 HydrophobicContact CD1-CD1 3.92Å; L245-L249 HydrophobicContact CD1-CG 4.05Å; L245-L249 HydrophobicContact CG-CD1 4.09Å; L245-L249 HydrophobicContact CG-CG 4.48Å; L245-L249 WeakPolarHBondContact O-CG 3.45Å; L245-L249 PolarHBondContact O-N 2.76Å; L249-L252 PolarHBondContact O-N 3.46Å; L249-H253 WeakPolarHBondContact O-CB 3.46Å; L249-H253 PolarHBondContact O-N 2.93Å; L249-V267 HydrophobicContact CB-CG1 4.19Å; L249-V267 HydrophobicContact CD2-CG1 4.02Å; L249-F271 HydrophobicContact CD2-CD2 4.18Å; L249-F271 HydrophobicContact CD2-CE2 4.09Å; L249-M311 HydrophobicContact CD1-CB 4.38Å; L249-I373 HydrophobicContact CD1-CD1 3.98Å
250	N	92.2	Very high	86.8	Confident	79 Å²	79	33.1 Å²	33.1	42%	0.422	18%	0.18	S	C	.	.	H	α-helix	trans	-67.4	-39.4	177.3	-74.1	-42.7	0	0	0	112.4	S246 W247 F248 H253 S254	S246-N250 WeakPolarHBondContact O-CB 3.49Å; S246-N250 PolarHBondContact O-N 3.21Å; S246-N250 PolarHBondContact O-ND2 3.22Å; W247-N250 PolarHBondContact O-N 3.09Å; F248-N250 PolarHBondContact O-N 2.76Å; N250-H253 PolarHBondContact O-N 3.48Å; N250-S254 WeakPolarHBondContact O-CB 3.28Å; N250-S254 PolarHBondContact O-N 2.98Å; N250-S254 PolarHBondContact O-OG 3.3Å
251	A	92.1	Very high	85	Confident	4 Å²	4	38.7 Å²	38.7	3%	0.033	20%	0.203	C	C	.	.	H	α-helix	trans	-63.8	-46.2	175.6	0	0	0	0	0	111.1	M192 L195 W247 F248 S254 A255	M192-A251 HydrophobicContact CE-CB 3.6Å; L195-A251 HydrophobicContact CD2-CB 3.63Å; W247-A251 HydrophobicContact CZ2-CB 4.26Å; W247-A251 WeakPolarHBondContact O-CB 3.26Å; W247-A251 PolarHBondContact O-N 2.59Å; F248-A251 PolarHBondContact O-N 2.83Å; A251-S254 PolarHBondContact O-N 2.87Å; A251-A255 VanDerWaalsContact O-CB 3.23Å; A251-A255 WeakPolarHBondContact O-CB 3.32Å; A251-A255 PolarHBondContact O-N 3.26Å
252	L	91.3	Very high	83.4	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-61.8	-45.9	175.2	-74.7	-179.1	0	0	0	112	F175 L195 V196 F199 F248 L249 S254 A255 L256 V267	F175-L252 HydrophobicContact CZ-CD2 4.21Å; L195-L252 HydrophobicContact CD2-CD2 4.38Å; L195-L252 HydrophobicContact CG-CD2 4.44Å; V196-L252 HydrophobicContact CG2-CD2 4.17Å; F199-L252 HydrophobicContact CD1-CD1 4.35Å; F199-L252 HydrophobicContact CD1-CD2 4.49Å; F199-L252 HydrophobicContact CE1-CD1 4.32Å; F248-L252 HydrophobicContact CD1-CD1 3.98Å; F248-L252 HydrophobicContact CE1-CD1 3.45Å; F248-L252 VanDerWaalsContact CE1-CD1 3.45Å; F248-L252 HydrophobicContact CE1-CG 4.15Å; F248-L252 HydrophobicContact CE2-CD1 4.29Å; F248-L252 HydrophobicContact CE2-CD2 4.27Å; F248-L252 HydrophobicContact CE2-CG 4.1Å; F248-L252 HydrophobicContact CZ-CD1 3.62Å; F248-L252 HydrophobicContact CZ-CD2 4.1Å; F248-L252 HydrophobicContact CZ-CG 3.92Å; F248-L252 WeakPolarHBondContact O-CB 3.31Å; F248-L252 WeakPolarHBondContact O-CG 3.41Å; F248-L252 PolarHBondContact O-N 3.27Å; L249-L252 PolarHBondContact O-N 3.46Å; L252-S254 VanDerWaalsContact C-N 3.31Å; L252-S254 PolarHBondContact O-N 3.01Å; L252-A255 PolarHBondContact O-N 3.39Å; L252-L256 WeakPolarHBondContact O-CB 3.28Å; L252-L256 VanDerWaalsContact O-CG 3.29Å; L252-L256 WeakPolarHBondContact O-CG 3.48Å; L252-L256 PolarHBondContact O-N 3.27Å; L252-V267 HydrophobicContact CB-CG2 3.95Å
253	H	88.8	Confident	82	Confident	39 Å²	39	55 Å²	55	18%	0.181	27%	0.272	C	S	.	.	H	α-helix	trans	-57.2	-45.3	176.5	176.4	66.1	0	0	0	111.9	L249 N250 L256 G257 G258 T265 T268	L249-H253 WeakPolarHBondContact O-CB 3.46Å; L249-H253 PolarHBondContact O-N 2.93Å; N250-H253 PolarHBondContact O-N 3.48Å; H253-L256 PolarHBondContact O-N 3.39Å; H253-G257 PolarHBondContact O-N 3.29Å; H253-G258 PolarHBondContact O-N 2.91Å; H253-T265 WeakPolarHBondContact ND1-CG2 3.11Å; H253-T265 PolarHBondContact ND1-OG1 3.14Å; H253-T268 VanDerWaalsContact CE1-CG2 3.48Å; H253-T268 WeakPolarHBondContact CE1-CG2 3.38Å
254	S	87.7	Confident	81.1	Confident	44 Å²	44	57.8 Å²	57.8	31%	0.308	28%	0.28	S	S	.	.	H	α-helix	trans	-64.9	-45.8	177.9	-59.4	0	0	0	0	111.8	R186 N250 A251 L252 L256 G257	R186-S254 PolarHBondContact NH1-O 3.08Å; N250-S254 WeakPolarHBondContact O-CB 3.28Å; N250-S254 PolarHBondContact O-N 2.98Å; N250-S254 PolarHBondContact O-OG 3.3Å; A251-S254 PolarHBondContact O-N 2.87Å; L252-S254 VanDerWaalsContact C-N 3.31Å; L252-S254 PolarHBondContact O-N 3.01Å; S254-L256 VanDerWaalsContact C-N 3.31Å; S254-L256 PolarHBondContact O-N 2.79Å; S254-G257 PolarHBondContact O-N 2.73Å; S254-G257 VanDerWaalsContact O-N 3.08Å
255	A	86.7	Confident	80.7	Confident	1 Å²	1	58.3 Å²	58.3	1%	0.008	28%	0.283	C	S	.	.	H	α-helix	trans	-68.6	-26.1	-179.6	0	0	0	0	0	113.4	R186 M192 V196 A251 L252	R186-A255 PolarHBondContact NE-O 3.47Å; R186-A255 PolarHBondContact NH2-O 3.12Å; M192-A255 HydrophobicContact CB-CB 4.05Å; M192-A255 WeakPolarHBondContact O-CB 3.39Å; V196-A255 HydrophobicContact CG2-CB 3.44Å; V196-A255 VanDerWaalsContact CG2-CB 3.44Å; A251-A255 VanDerWaalsContact O-CB 3.23Å; A251-A255 WeakPolarHBondContact O-CB 3.32Å; A251-A255 PolarHBondContact O-N 3.26Å; L252-A255 PolarHBondContact O-N 3.39Å
256	L	85.7	Confident	80.4	Confident	20 Å²	20	59.6 Å²	59.6	11%	0.105	29%	0.289	C	S	.	.	H	α-helix	trans	-85.4	-7.4	172.6	-68.6	173.3	0	0	0	113.4	Y174 F175 I184 R186 V196 L252 H253 S254 T265 I266 V267	Y174-L256 HydrophobicContact CE1-CD1 4.31Å; Y174-L256 HydrophobicContact CE1-CD2 4.01Å; F175-L256 HydrophobicContact CZ-CD1 4.35Å; I184-L256 HydrophobicContact CD1-CD2 3.9Å; R186-L256 PolarHBondContact NH2-O 3.39Å; V196-L256 HydrophobicContact CG1-CD2 3.83Å; V196-L256 HydrophobicContact CG2-CD2 4.21Å; V196-L256 HydrophobicContact CG2-CG 4.31Å; L252-L256 WeakPolarHBondContact O-CB 3.28Å; L252-L256 VanDerWaalsContact O-CG 3.29Å; L252-L256 WeakPolarHBondContact O-CG 3.48Å; L252-L256 PolarHBondContact O-N 3.27Å; H253-L256 PolarHBondContact O-N 3.39Å; S254-L256 VanDerWaalsContact C-N 3.31Å; S254-L256 PolarHBondContact O-N 2.79Å; L256-T265 HydrophobicContact CB-CG2 4.02Å; L256-I266 HydrophobicContact CD1-CG2 3.75Å; L256-V267 HydrophobicContact CD1-CG2 4.41Å
257	G	74.9	Confident	80.3	Confident	12 Å²	12	58.5 Å²	58.5	12%	0.124	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	104.1	19.8	164.5	0	0	0	0	0	114.6	H253 S254 T259	H253-G257 PolarHBondContact O-N 3.29Å; S254-G257 PolarHBondContact O-N 2.73Å; S254-G257 VanDerWaalsContact O-N 3.08Å; G257-T259 PolarHBondContact O-N 2.95Å; G257-T259 VanDerWaalsContact O-N 3.16Å
258	G	65.9	Low	80.1	Confident	12 Å²	12	56.2 Å²	56.2	12%	0.124	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-18	176.7	0	0	0	0	0	114.8	H253	H253-G258 PolarHBondContact O-N 2.91Å
259	T	59.1	Low	79.9	Confident	95 Å²	95	60 Å²	60	58%	0.583	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.3	-24.2	-174.2	52.4	0	0	0	0	115.3	G257	G257-T259 PolarHBondContact O-N 2.95Å; G257-T259 VanDerWaalsContact O-N 3.16Å
260	K	56.4	Low	79.9	Confident	150 Å²	150	60.1 Å²	60.1	65%	0.652	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95	-21.7	-168.5	-69.1	-171.1	177.7	-176.9	0	115.1
261	K	54.5	Low	80.1	Confident	153 Å²	153	56.4 Å²	56.4	67%	0.665	28%	0.275	S	S	*	.	S	Bend	trans	-149.6	146	170.1	-65.3	-172.4	179.8	-173.9	0	103.6	K263	K261-K263 HydrophobicContact CB-CG 4.14Å; K261-K263 PolarHBondContact O-N 3.47Å
262	K	57	Low	80.2	Confident	220 Å²	220	58.6 Å²	58.6	96%	0.957	28%	0.284	S	S	*	.			trans	-60.2	56.6	174.7	-66.4	-179.7	177.2	-179.2	0	112.1
263	K	65.3	Low	80.3	Confident	142 Å²	142	58.7 Å²	58.7	62%	0.617	29%	0.285	S	S	*	.	P	Polyproline II helix	trans	-86.3	121.2	179.2	-81	-171	173.8	-167.2	0	105.7	K261 T265	K261-K263 HydrophobicContact CB-CG 4.14Å; K261-K263 PolarHBondContact O-N 3.47Å; K263-T265 PolarHBondContact O-N 2.79Å
264	K	74.9	Confident	80.5	Confident	160 Å²	160	58 Å²	58	70%	0.696	28%	0.284	S	S	*	.	P	Polyproline II helix	trans	-58.2	128.2	165.6	-66.6	179.2	176.8	-176.2	0	108.2	D269	K264-D269 WeakPolarHBondContact CB-OD1 3.48Å; K264-D269 WeakPolarHBondContact CD-OD1 3.33Å
265	T	87.1	Confident	80.8	Confident	11 Å²	11	56.6 Å²	56.6	7%	0.067	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-101.4	162	171.9	60.7	0	0	0	0	108.8	H253 L256 K263 V267 T268 D269	H253-T265 WeakPolarHBondContact ND1-CG2 3.11Å; H253-T265 PolarHBondContact ND1-OG1 3.14Å; L256-T265 HydrophobicContact CB-CG2 4.02Å; K263-T265 PolarHBondContact O-N 2.79Å; T265-V267 PolarHBondContact O-N 3.44Å; T265-V267 VanDerWaalsContact O-N 3.14Å; T265-T268 PolarHBondContact N-OG1 2.63Å; T265-T268 PolarHBondContact O-N 3.1Å; T265-T268 PolarHBondContact O-OG1 2.98Å; T265-T268 PolarHBondContact OG1-N 3.27Å; T265-T268 PolarHBondContact OG1-OG1 2.9Å; T265-D269 PolarHBondContact O-N 2.7Å
266	I	90.3	Very high	81.2	Confident	30 Å²	30	58.7 Å²	58.7	15%	0.154	28%	0.281	C	S	.	.	H	α-helix	trans	-53.2	-37.1	173	-171.7	62	0	0	0	112	P170 L171 Y174 F175 L256 D269 V270	P170-I266 HydrophobicContact CB-CD1 4.37Å; L171-I266 HydrophobicContact CD1-CG1 4.22Å; L171-I266 HydrophobicContact CD1-CG2 4Å; Y174-I266 HydrophobicContact CD1-CB 4.36Å; Y174-I266 HydrophobicContact CD1-CG2 3.79Å; Y174-I266 HydrophobicContact CD2-CB 4.19Å; Y174-I266 HydrophobicContact CD2-CG1 4.39Å; Y174-I266 HydrophobicContact CD2-CG2 4.47Å; Y174-I266 HydrophobicContact CE1-CG2 4.04Å; Y174-I266 HydrophobicContact CG-CB 4.08Å; Y174-I266 HydrophobicContact CG-CG1 4.06Å; Y174-I266 HydrophobicContact CG-CG2 4.03Å; F175-I266 HydrophobicContact CE2-CG2 4.5Å; L256-I266 HydrophobicContact CD1-CG2 3.75Å; I266-D269 PolarHBondContact O-N 3.39Å; I266-V270 HydrophobicContact CD1-CG2 3.83Å; I266-V270 HydrophobicContact CG1-CG2 4.13Å; I266-V270 VanDerWaalsContact O-CB 3.28Å; I266-V270 WeakPolarHBondContact O-CB 3.3Å; I266-V270 WeakPolarHBondContact O-CG2 3.41Å; I266-V270 PolarHBondContact O-N 3.31Å
267	V	91.1	Very high	81.5	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-62.1	-47.8	178.4	-178.6	0	0	0	0	111.3	L171 L249 L252 L256 T265 V270 F271 M311	L171-V267 HydrophobicContact CD1-CG2 4.49Å; L249-V267 HydrophobicContact CB-CG1 4.19Å; L249-V267 HydrophobicContact CD2-CG1 4.02Å; L252-V267 HydrophobicContact CB-CG2 3.95Å; L256-V267 HydrophobicContact CD1-CG2 4.41Å; T265-V267 PolarHBondContact O-N 3.44Å; T265-V267 VanDerWaalsContact O-N 3.14Å; V267-V270 PolarHBondContact O-N 2.87Å; V267-F271 HydrophobicContact CG1-CD2 4.29Å; V267-F271 PolarHBondContact O-N 3.4Å; V267-M311 HydrophobicContact CG1-CE 4.34Å; V267-M311 HydrophobicContact CG1-SD 4.44Å
268	T	91.5	Very high	82.4	Confident	7 Å²	7	60 Å²	60	4%	0.043	28%	0.284	C	S	.	.	H	α-helix	trans	-69.5	-36.5	178.1	45.6	0	0	0	0	112.4	H253 T265 V270 Q272 M311	H253-T268 VanDerWaalsContact CE1-CG2 3.48Å; H253-T268 WeakPolarHBondContact CE1-CG2 3.38Å; T265-T268 PolarHBondContact N-OG1 2.63Å; T265-T268 PolarHBondContact O-N 3.1Å; T265-T268 PolarHBondContact O-OG1 2.98Å; T265-T268 PolarHBondContact OG1-N 3.27Å; T265-T268 PolarHBondContact OG1-OG1 2.9Å; T268-V270 VanDerWaalsContact C-N 3.28Å; T268-V270 PolarHBondContact O-N 3.21Å; T268-Q272 VanDerWaalsContact CB-OE1 3.24Å; T268-Q272 HydrophobicContact CG2-CB 4.45Å; T268-Q272 WeakPolarHBondContact O-CB 3.25Å; T268-Q272 PolarHBondContact O-N 3.41Å; T268-M311 HydrophobicContact CG2-CE 3.55Å
269	D	92.3	Very high	83.5	Confident	79 Å²	79	60.7 Å²	60.7	42%	0.422	29%	0.286	S	S	.	.	H	α-helix	trans	-68.3	-32.7	179.6	-73	-27.9	0	0	0	112	K264 T265 I266 P370	K264-D269 WeakPolarHBondContact CB-OD1 3.48Å; K264-D269 WeakPolarHBondContact CD-OD1 3.33Å; T265-D269 PolarHBondContact O-N 2.7Å; I266-D269 PolarHBondContact O-N 3.39Å; D269-P370 WeakPolarHBondContact O-CD 3.34Å
270	V	94.4	Very high	84.9	Confident	5 Å²	5	59.7 Å²	59.7	3%	0.03	27%	0.273	C	S	.	.	H	α-helix	trans	-83.8	-46.6	-178.1	172.8	0	0	0	0	112.2	V168 P170 I266 V267 T268 P370 Y371	V168-V270 HydrophobicContact CG1-CG1 3.71Å; P170-V270 HydrophobicContact CB-CG2 3.76Å; P170-V270 HydrophobicContact CG-CG2 4.45Å; I266-V270 HydrophobicContact CD1-CG2 3.83Å; I266-V270 HydrophobicContact CG1-CG2 4.13Å; I266-V270 VanDerWaalsContact O-CB 3.28Å; I266-V270 WeakPolarHBondContact O-CB 3.3Å; I266-V270 WeakPolarHBondContact O-CG2 3.41Å; I266-V270 PolarHBondContact O-N 3.31Å; V267-V270 PolarHBondContact O-N 2.87Å; T268-V270 VanDerWaalsContact C-N 3.28Å; T268-V270 PolarHBondContact O-N 3.21Å; V270-P370 WeakPolarHBondContact O-CD 3.2Å; V270-Y371 HydrophobicContact CG1-CD2 3.66Å; V270-Y371 HydrophobicContact CG1-CG 3.96Å; V270-Y371 PolarHBondContact O-N 3.13Å
271	F	95.7	Very high	86.2	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-112.9	-12.9	-168.1	-58.3	-69.6	0	0	0	115.3	L165 V168 L171 L249 V267 G273 M311 P369 I373 I473	L165-F271 HydrophobicContact CD2-CE2 4.22Å; L165-F271 HydrophobicContact CD2-CZ 3.85Å; V168-F271 HydrophobicContact CB-CZ 4.42Å; V168-F271 HydrophobicContact CG1-CE1 4.43Å; V168-F271 HydrophobicContact CG1-CZ 4.02Å; V168-F271 HydrophobicContact CG2-CE1 4.32Å; V168-F271 HydrophobicContact CG2-CZ 4.04Å; L171-F271 HydrophobicContact CD2-CE2 4.17Å; L171-F271 HydrophobicContact CD2-CZ 4.44Å; L249-F271 HydrophobicContact CD2-CD2 4.18Å; L249-F271 HydrophobicContact CD2-CE2 4.09Å; V267-F271 HydrophobicContact CG1-CD2 4.29Å; V267-F271 PolarHBondContact O-N 3.4Å; F271-G273 PolarHBondContact O-N 3.46Å; F271-M311 HydrophobicContact CB-SD 4.24Å; F271-P369 VanDerWaalsContact C-CB 3.47Å; F271-P369 WeakPolarHBondContact O-CB 3.31Å; F271-I373 HydrophobicContact CD1-CD1 3.61Å; F271-I373 HydrophobicContact CD1-CG1 3.76Å; F271-I373 HydrophobicContact CE1-CD1 3.7Å; F271-I373 HydrophobicContact CE1-CG1 3.93Å; F271-I373 HydrophobicContact CG-CD1 4.19Å; F271-I373 HydrophobicContact CZ-CD1 4.36Å; F271-I473 HydrophobicContact CE1-CG2 4.44Å
272	Q	94.4	Very high	87.6	Confident	51 Å²	51	48.6 Å²	48.6	24%	0.238	23%	0.227	C	C	.	.			trans	-79.6	110.4	-172.2	-166.4	-177	10.2	0	0	112.6	T268 T309 F310 M311	T268-Q272 VanDerWaalsContact CB-OE1 3.24Å; T268-Q272 HydrophobicContact CG2-CB 4.45Å; T268-Q272 WeakPolarHBondContact O-CB 3.25Å; T268-Q272 PolarHBondContact O-N 3.41Å; Q272-T309 PolarHBondContact NE2-OG1 3.3Å; Q272-F310 WeakPolarHBondContact CA-O 3.13Å; Q272-M311 HydrophobicContact CB-SD 4.15Å
273	G	93.3	Very high	88.6	Confident	1 Å²	1	38.9 Å²	38.9	1%	0.01	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	177.3	165.8	0	0	0	0	0	112.7	F271 T309 F310 K367	F271-G273 PolarHBondContact O-N 3.46Å; G273-T309 VanDerWaalsContact O-CA 3.31Å; G273-T309 WeakPolarHBondContact O-CA 3.12Å; G273-T309 WeakPolarHBondContact O-CB 3.39Å; G273-F310 PolarHBondContact N-O 2.94Å; G273-F310 PolarHBondContact O-N 3.2Å; G273-K367 VanDerWaalsContact CA-O 3.25Å; G273-K367 WeakPolarHBondContact CA-O 3.31Å
274	S	93.1	Very high	89.2	Confident	24 Å²	24	37 Å²	37	17%	0.168	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	151.4	171	62.6	0	0	0	0	111.6	S308 T366 K367	S274-S308 CarbonylContact C-O 3.52Å; S274-S308 WeakPolarHBondContact CA-O 3.36Å; S274-T366 WeakPolarHBondContact CB-OG1 3.47Å; S274-T366 PolarHBondContact O-N 3.27Å; S274-T366 PolarHBondContact O-OG1 2.96Å; S274-T366 PolarHBondContact OG-OG1 2.57Å; S274-K367 PolarHBondContact N-O 2.86Å; S274-K367 VanDerWaalsContact N-O 3.11Å; S274-K367 PolarHBondContact O-N 3.35Å; S274-K367 WeakPolarHBondContact OG-CB 3.43Å; S274-K367 PolarHBondContact OG-N 3.33Å
275	M	94.1	Very high	89	Confident	15 Å²	15	32.9 Å²	32.9	7%	0.074	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	154.3	178.3	68.1	174.4	75.9	0	0	110.5	I277 S308 F310 L313 F344 F363 Q364 L365 T366	M275-I277 HydrophobicContact CG-CG1 4.13Å; M275-I277 HydrophobicContact SD-CD1 4.4Å; M275-I277 HydrophobicContact SD-CG1 4.16Å; M275-S308 PolarHBondContact N-O 3.48Å; M275-S308 PolarHBondContact O-N 3.42Å; M275-S308 VanDerWaalsContact O-O 3.13Å; M275-F310 HydrophobicContact CB-CD1 4.33Å; M275-F310 HydrophobicContact CB-CE1 4.3Å; M275-F310 HydrophobicContact CE-CB 3.98Å; M275-F310 HydrophobicContact CE-CD1 3.25Å; M275-F310 HydrophobicContact CE-CE1 3.81Å; M275-F310 HydrophobicContact CE-CG 3.71Å; M275-F310 HydrophobicContact CG-CD1 4.22Å; M275-L313 HydrophobicContact CE-CD2 3.25Å; M275-F344 HydrophobicContact CE-CD1 4.5Å; M275-F344 HydrophobicContact CE-CE1 4.26Å; M275-F363 HydrophobicContact SD-CB 4.43Å; M275-F363 HydrophobicContact SD-CD1 3.82Å; M275-Q364 CarbonylContact C-O 3.57Å; M275-Q364 WeakPolarHBondContact CA-O 3.45Å; M275-Q364 VanDerWaalsContact CB-O 3.24Å; M275-Q364 WeakPolarHBondContact CB-O 2.99Å; M275-L365 HydrophobicContact CB-CD2 4.16Å; M275-L365 HydrophobicContact CE-CD2 4.43Å; M275-T366 PolarHBondContact N-OG1 2.79Å
276	R	94	Very high	88.5	Confident	46 Å²	46	38.8 Å²	38.8	17%	0.174	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	131.9	165.6	-73.1	168.9	-175.3	165.2	3.4	108.5	F278 M305 E307 F363 Q364 T366 E409	R276-F278 HydrophobicContact CB-CD2 4.43Å; R276-F278 HydrophobicContact CB-CE2 3.76Å; R276-F278 HydrophobicContact CB-CZ 4.12Å; R276-M305 HydrophobicContact CB-CG 4.26Å; R276-M305 HydrophobicContact CB-SD 4.21Å; R276-M305 HydrophobicContact CG-CG 4.35Å; R276-M305 HydrophobicContact CG-SD 3.76Å; R276-E307 HydrophobicContact CG-CG 3.98Å; R276-E307 IonicContact NE-OE1 2.75Å; R276-E307 PolarHBondContact NE-OE1 2.92Å; R276-E307 IonicContact NH2-OE1 3.79Å; R276-F363 WeakPolarHBondContact O-CA 3.31Å; R276-Q364 PolarHBondContact N-O 2.92Å; R276-Q364 PolarHBondContact O-N 3.4Å; R276-T366 HydrophobicContact CB-CG2 4.37Å; R276-T366 HydrophobicContact CG-CG2 3.64Å; R276-E409 IonicContact CZ-OE2 3.65Å; R276-E409 IonicContact NH1-OE2 3.15Å; R276-E409 PolarHBondContact NH1-OE2 3.34Å; R276-E409 VanDerWaalsContact NH1-OE2 3.09Å; R276-E409 IonicContact NH2-OE2 3.98Å; R276-E409 PolarHBondContact NH2-OE2 3.23Å
277	I	93.1	Very high	87.9	Confident	34 Å²	34	39.8 Å²	39.8	17%	0.174	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	115.3	174.1	-51.9	-179.9	0	0	0	106.3	M275 V306 F363	M275-I277 HydrophobicContact CG-CG1 4.13Å; M275-I277 HydrophobicContact SD-CD1 4.4Å; M275-I277 HydrophobicContact SD-CG1 4.16Å; I277-V306 PolarHBondContact N-O 3.4Å; I277-V306 PolarHBondContact O-N 2.86Å; I277-F363 HydrophobicContact CB-CD1 4.46Å; I277-F363 HydrophobicContact CD1-CD1 4.3Å; I277-F363 HydrophobicContact CD1-CE1 4.12Å; I277-F363 HydrophobicContact CG1-CD1 3.89Å; I277-F363 HydrophobicContact CG1-CE1 4.11Å; I277-F363 HydrophobicContact CG2-CD1 4.11Å; I277-F363 HydrophobicContact CG2-CE1 3.82Å; I277-F363 HydrophobicContact CG2-CZ 4.47Å
278	F	92.2	Very high	87.5	Confident	24 Å²	24	43.5 Å²	43.5	11%	0.105	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	129.4	173.1	-54.1	-100.4	0	0	0	108	R276 E303 T304 M305 K361 R362 Q364	R276-F278 HydrophobicContact CB-CD2 4.43Å; R276-F278 HydrophobicContact CB-CE2 3.76Å; R276-F278 HydrophobicContact CB-CZ 4.12Å; F278-E303 HydrophobicContact CB-CG 3.87Å; F278-E303 WeakPolarHBondContact CB-OE1 3.08Å; F278-E303 HydrophobicContact CD1-CG 4.29Å; F278-E303 WeakPolarHBondContact CD1-OE2 3.24Å; F278-T304 CarbonylContact C-O 3.43Å; F278-T304 VanDerWaalsContact CA-O 3.27Å; F278-T304 WeakPolarHBondContact CA-O 3.28Å; F278-M305 HydrophobicContact CD1-CB 3.76Å; F278-M305 HydrophobicContact CD1-CG 3.71Å; F278-M305 HydrophobicContact CE1-CB 3.87Å; F278-M305 HydrophobicContact CE1-CG 3.45Å; F278-M305 VanDerWaalsContact CE1-CG 3.45Å; F278-M305 HydrophobicContact CG-CG 4.35Å; F278-M305 HydrophobicContact CZ-CG 3.91Å; F278-K361 VanDerWaalsContact O-CA 3.23Å; F278-K361 WeakPolarHBondContact O-CA 3.37Å; F278-R362 HydrophobicContact CB-CG 3.54Å; F278-R362 HydrophobicContact CD2-CG 3.82Å; F278-R362 HydrophobicContact CG-CG 3.96Å; F278-R362 PolarHBondContact N-O 3.27Å; F278-R362 PolarHBondContact O-N 3.38Å; F278-R362 VanDerWaalsContact O-N 3.09Å; F278-Q364 HydrophobicContact CE2-CB 4.16Å
279	T	89.4	Confident	86.7	Confident	28 Å²	28	46.5 Å²	46.5	17%	0.172	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	125.9	-179.3	-58	0	0	0	0	109.4	T304 F359 L360 K361	T279-T304 PolarHBondContact N-O 3.05Å; T279-T304 PolarHBondContact O-N 2.72Å; T279-T304 PolarHBondContact O-OG1 3.31Å; T279-T304 VanDerWaalsContact O-OG1 3.12Å; T279-F359 HydrophobicContact CG2-CB 4.27Å; T279-F359 HydrophobicContact CG2-CD1 3.83Å; T279-F359 HydrophobicContact CG2-CG 4.37Å; T279-L360 WeakPolarHBondContact CA-O 3.41Å; T279-K361 HydrophobicContact CG2-CG 4.18Å
280	K	88.3	Confident	85.9	Confident	73 Å²	73	49.9 Å²	49.9	32%	0.317	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	123.7	174.9	-177.3	177.4	-178.7	177.8	0	109.2	F359 L360	K280-F359 CarbonylContact O-C 3.52Å; K280-F359 WeakPolarHBondContact O-CA 3.37Å; K280-L360 HydrophobicContact CB-CB 4.39Å; K280-L360 PolarHBondContact N-O 3.16Å; K280-L360 PolarHBondContact O-N 3.07Å
281	K	85.1	Confident	85	Confident	25 Å²	25	54.2 Å²	54.2	11%	0.109	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	139.7	175.3	-172.5	169.4	171	172.4	0	109.4	E300 Y301 E357 F359	K281-E300 HydrophobicContact CD-CG 4.39Å; K281-E300 IonicContact NZ-OE1 3.26Å; K281-E300 PolarHBondContact NZ-OE1 2.8Å; K281-Y301 HydrophobicContact CB-CD1 4.17Å; K281-Y301 HydrophobicContact CB-CE1 4.47Å; K281-Y301 HydrophobicContact CD-CE1 4.36Å; K281-Y301 HydrophobicContact CG-CD1 4.21Å; K281-Y301 HydrophobicContact CG-CE1 4.01Å; K281-Y301 WeakPolarHBondContact O-CD1 3.24Å; K281-E357 VanDerWaalsContact CE-CD 3.4Å; K281-E357 WeakPolarHBondContact CE-OE2 3.4Å; K281-E357 IonicContact NZ-OE1 3.95Å; K281-E357 PolarHBondContact NZ-OE1 3.48Å; K281-E357 IonicContact NZ-OE2 3.84Å; K281-E357 PolarHBondContact NZ-OE2 2.89Å; K281-F359 HydrophobicContact CB-CD1 4.18Å; K281-F359 HydrophobicContact CB-CE1 4.23Å; K281-F359 HydrophobicContact CD-CE1 4.37Å; K281-F359 HydrophobicContact CG-CD1 4.38Å; K281-F359 HydrophobicContact CG-CE1 4.15Å
282	L	82.8	Confident	84	Confident	45 Å²	45	57 Å²	57	24%	0.236	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	135.4	175.6	-74.2	179.3	0	0	0	110.3	E351 N358 L360	L282-E351 HydrophobicContact CD1-CG 4.29Å; L282-N358 HydrophobicContact CB-CB 3.96Å; L282-N358 HydrophobicContact CD1-CB 4.31Å; L282-N358 PolarHBondContact N-O 3.5Å; L282-L360 HydrophobicContact CD1-CD1 4.06Å; L282-L360 HydrophobicContact CD1-CD2 4.18Å; L282-L360 HydrophobicContact CD1-CG 3.71Å; L282-L360 HydrophobicContact CD2-CD1 3.68Å; L282-L360 HydrophobicContact CD2-CG 4.14Å; L282-L360 HydrophobicContact CG-CD1 4.05Å; L282-L360 HydrophobicContact CG-CG 3.92Å
283	P	78.5	Confident	82.9	Confident	17 Å²	17	61.3 Å²	61.3	11%	0.11	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-59.9	155.4	169.9	-21.9	32.8	0	0	0	111.9	L287 K292 L295 L296 Y301	P283-L287 HydrophobicContact CB-CD1 4.38Å; P283-K292 HydrophobicContact CB-CB 4.46Å; P283-K292 HydrophobicContact CB-CG 4.02Å; P283-L295 HydrophobicContact CB-CD1 4.45Å; P283-L295 HydrophobicContact CG-CB 4.47Å; P283-L296 HydrophobicContact CG-CD2 4.18Å; P283-L296 HydrophobicContact CG-CG 4.21Å; P283-Y301 HydrophobicContact CB-CE1 4.16Å; P283-Y301 HydrophobicContact CG-CD1 3.85Å; P283-Y301 HydrophobicContact CG-CE1 3.75Å
284	H	77.1	Confident	82	Confident	101 Å²	101	67.8 Å²	67.8	47%	0.468	35%	0.351	S	S	.	.	P	Polyproline II helix	trans	-60.5	136.4	179.5	-164.7	-89.9	0	0	0	111.2	D286 L287 K292	H284-D286 IonicContact CE1-OD2 2.85Å; H284-D286 PolarHBondContact CE1-OD2 2.86Å; H284-D286 PolarHBondContact ND1-N 3.04Å; H284-D286 IonicContact ND1-OD2 3.04Å; H284-D286 PolarHBondContact O-N 2.82Å; H284-D286 VanDerWaalsContact O-N 3.12Å; H284-L287 HydrophobicContact CB-CD1 3.93Å; H284-L287 HydrophobicContact CB-CG 4.1Å; H284-L287 PolarHBondContact O-N 3.33Å; H284-K292 WeakPolarHBondContact O-CE 3.46Å
285	P	71.7	Confident	81.1	Confident	74 Å²	74	68.5 Å²	68.5	48%	0.481	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-30.2	-176.7	-24.6	32.9	0	0	0	114	L287 K292	P285-L287 VanDerWaalsContact C-N 3.33Å; P285-L287 PolarHBondContact O-N 2.87Å; P285-K292 WeakPolarHBondContact O-CE 3.16Å; P285-K292 PolarHBondContact O-NZ 3.34Å
286	D	76.4	Confident	80.2	Confident	136 Å²	136	71.2 Å²	71.2	73%	0.727	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-4.2	-174.6	-57.9	-18.6	0	0	0	114.3	H284	H284-D286 IonicContact CE1-OD2 2.85Å; H284-D286 PolarHBondContact CE1-OD2 2.86Å; H284-D286 PolarHBondContact ND1-N 3.04Å; H284-D286 IonicContact ND1-OD2 3.04Å; H284-D286 PolarHBondContact O-N 2.82Å; H284-D286 VanDerWaalsContact O-N 3.12Å
287	L	77.8	Confident	79	Confident	51 Å²	51	76.9 Å²	76.9	27%	0.267	40%	0.395	S	S	.	.	S	Bend	trans	-73.6	144.3	178.1	-68	166.7	0	0	0	111.6	P283 H284 P285 K292 L295	P283-L287 HydrophobicContact CB-CD1 4.38Å; H284-L287 HydrophobicContact CB-CD1 3.93Å; H284-L287 HydrophobicContact CB-CG 4.1Å; H284-L287 PolarHBondContact O-N 3.33Å; P285-L287 VanDerWaalsContact C-N 3.33Å; P285-L287 PolarHBondContact O-N 2.87Å; L287-K292 HydrophobicContact CB-CG 3.9Å; L287-K292 WeakPolarHBondContact O-CE 3.38Å; L287-K292 PolarHBondContact O-NZ 2.79Å; L287-L295 HydrophobicContact CD1-CD1 3.67Å
288	P	81.4	Confident	78.5	Confident	77 Å²	77	79 Å²	79	50%	0.5	41%	0.407	S	S	.	.			trans	-53.8	149.4	170.5	-21.8	31.4	0	0	0	112.3	E290 E291 K292	P288-E290 VanDerWaalsContact C-N 3.32Å; P288-E290 PolarHBondContact O-N 3.29Å; P288-E291 HydrophobicContact CB-CB 4.39Å; P288-E291 WeakPolarHBondContact CD-OE2 3.47Å; P288-E291 PolarHBondContact O-N 2.76Å; P288-K292 WeakPolarHBondContact O-CG 3.38Å; P288-K292 PolarHBondContact O-N 2.85Å
289	A	75.7	Confident	77.6	Confident	70 Å²	70	84 Å²	84	58%	0.579	43%	0.434	S	S	*	.	H	α-helix	trans	-58.9	-41.3	-176.6	0	0	0	0	0	112.9	E291 K292 E293	A289-E291 VanDerWaalsContact C-N 3.34Å; A289-E291 PolarHBondContact O-N 3.37Å; A289-K292 WeakPolarHBondContact O-CB 3.5Å; A289-K292 PolarHBondContact O-N 3.4Å; A289-E293 WeakPolarHBondContact O-CG 3.39Å; A289-E293 PolarHBondContact O-N 3.08Å
290	E	75.5	Confident	77	Confident	151 Å²	151	88.3 Å²	88.3	71%	0.706	45%	0.453	S	S	*	.	H	α-helix	trans	-62.7	-40.4	178.1	-65	176.7	177.1	0	0	112	P288 E293 Q294	P288-E290 VanDerWaalsContact C-N 3.32Å; P288-E290 PolarHBondContact O-N 3.29Å; E290-E293 PolarHBondContact O-N 2.87Å; E290-Q294 WeakPolarHBondContact O-CG 3.41Å; E290-Q294 PolarHBondContact O-N 3Å; E290-Q294 VanDerWaalsContact O-N 3.12Å
291	E	75.4	Confident	76.5	Confident	95 Å²	95	86 Å²	86	44%	0.444	44%	0.442	S	S	.	.	H	α-helix	trans	-72.1	-33.7	179.8	-148.1	174.1	-158	0	0	111.1	P288 A289 L295	P288-E291 HydrophobicContact CB-CB 4.39Å; P288-E291 WeakPolarHBondContact CD-OE2 3.47Å; P288-E291 PolarHBondContact O-N 2.76Å; A289-E291 VanDerWaalsContact C-N 3.34Å; A289-E291 PolarHBondContact O-N 3.37Å; E291-L295 WeakPolarHBondContact O-CB 3.36Å; E291-L295 VanDerWaalsContact O-CG 3.24Å; E291-L295 WeakPolarHBondContact O-CG 3.33Å; E291-L295 PolarHBondContact O-N 3.17Å
292	K	73.8	Confident	76.4	Confident	60 Å²	60	89.6 Å²	89.6	26%	0.261	46%	0.459	S	S	.	.	H	α-helix	trans	-63.5	-44.1	171.5	-72	174.2	171	143.5	0	112.1	P283 H284 P285 L287 P288 A289 Q294 L295 L296	P283-K292 HydrophobicContact CB-CB 4.46Å; P283-K292 HydrophobicContact CB-CG 4.02Å; H284-K292 WeakPolarHBondContact O-CE 3.46Å; P285-K292 WeakPolarHBondContact O-CE 3.16Å; P285-K292 PolarHBondContact O-NZ 3.34Å; L287-K292 HydrophobicContact CB-CG 3.9Å; L287-K292 WeakPolarHBondContact O-CE 3.38Å; L287-K292 PolarHBondContact O-NZ 2.79Å; P288-K292 WeakPolarHBondContact O-CG 3.38Å; P288-K292 PolarHBondContact O-N 2.85Å; A289-K292 WeakPolarHBondContact O-CB 3.5Å; A289-K292 PolarHBondContact O-N 3.4Å; K292-Q294 VanDerWaalsContact C-N 3.34Å; K292-L295 PolarHBondContact O-N 2.94Å; K292-L296 VanDerWaalsContact O-CG 3.27Å; K292-L296 WeakPolarHBondContact O-CG 3.36Å; K292-L296 PolarHBondContact O-N 3.25Å
293	E	71.4	Confident	76.4	Confident	140 Å²	140	91.3 Å²	91.3	65%	0.654	47%	0.466	S	S	*	.	H	α-helix	trans	-64.7	-39.6	179.2	-74.5	-178.5	176.2	0	0	111.9	A289 E290 L296	A289-E293 WeakPolarHBondContact O-CG 3.39Å; A289-E293 PolarHBondContact O-N 3.08Å; E290-E293 PolarHBondContact O-N 2.87Å; E293-L296 PolarHBondContact O-N 3.3Å
294	Q	74.8	Confident	77	Confident	137 Å²	137	94.3 Å²	94.3	64%	0.64	48%	0.484	S	S	*	.	H	α-helix	trans	-64.3	-43.8	174.1	-70.1	175.1	14.1	0	0	111.9	E290 K292 L296 H297	E290-Q294 WeakPolarHBondContact O-CG 3.41Å; E290-Q294 PolarHBondContact O-N 3Å; E290-Q294 VanDerWaalsContact O-N 3.12Å; K292-Q294 VanDerWaalsContact C-N 3.34Å; Q294-L296 VanDerWaalsContact C-N 3.32Å; Q294-L296 PolarHBondContact O-N 2.88Å; Q294-H297 WeakPolarHBondContact O-CB 3.4Å; Q294-H297 PolarHBondContact O-N 3.45Å
295	L	75	Confident	77.6	Confident	40 Å²	40	94 Å²	94	21%	0.209	48%	0.484	C	S	.	.	H	α-helix	trans	-64.7	-34.9	178.2	-73	171.1	0	0	0	112.7	P283 L287 E291 K292 H297 N298 Y301	P283-L295 HydrophobicContact CB-CD1 4.45Å; P283-L295 HydrophobicContact CG-CB 4.47Å; L287-L295 HydrophobicContact CD1-CD1 3.67Å; E291-L295 WeakPolarHBondContact O-CB 3.36Å; E291-L295 VanDerWaalsContact O-CG 3.24Å; E291-L295 WeakPolarHBondContact O-CG 3.33Å; E291-L295 PolarHBondContact O-N 3.17Å; K292-L295 PolarHBondContact O-N 2.94Å; L295-H297 PolarHBondContact O-N 2.9Å; L295-N298 WeakPolarHBondContact O-CB 3.36Å; L295-N298 PolarHBondContact O-N 3.24Å; L295-Y301 HydrophobicContact CB-CD2 4.25Å; L295-Y301 HydrophobicContact CB-CE2 3.97Å; L295-Y301 HydrophobicContact CD2-CE2 4.06Å; L295-Y301 WeakPolarHBondContact O-CB 3.41Å; L295-Y301 WeakPolarHBondContact O-CD2 3.08Å
296	L	73.9	Confident	78.6	Confident	71 Å²	71	94.7 Å²	94.7	37%	0.372	49%	0.487	S	S	.	.	H	α-helix	trans	-64.3	-19.9	176.6	-74.1	168.7	0	0	0	113.4	P283 K292 E293 Q294 N298	P283-L296 HydrophobicContact CG-CD2 4.18Å; P283-L296 HydrophobicContact CG-CG 4.21Å; K292-L296 VanDerWaalsContact O-CG 3.27Å; K292-L296 WeakPolarHBondContact O-CG 3.36Å; K292-L296 PolarHBondContact O-N 3.25Å; E293-L296 PolarHBondContact O-N 3.3Å; Q294-L296 VanDerWaalsContact C-N 3.32Å; Q294-L296 PolarHBondContact O-N 2.88Å; L296-N298 VanDerWaalsContact C-N 3.34Å
297	H	70.7	Confident	79.4	Confident	165 Å²	165	94 Å²	94	76%	0.764	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-16.2	174.8	-118.9	62.2	0	0	0	113.4	Q294 L295	Q294-H297 WeakPolarHBondContact O-CB 3.4Å; Q294-H297 PolarHBondContact O-N 3.45Å; L295-H297 PolarHBondContact O-N 2.9Å
298	N	81.1	Confident	80.2	Confident	80 Å²	80	94 Å²	94	43%	0.428	48%	0.483	S	S	.	.	S	Bend	trans	-74.6	144.3	178	-66	-16.3	0	0	0	111	L295 L296 E300 Y301 Q302	L295-N298 WeakPolarHBondContact O-CB 3.36Å; L295-N298 PolarHBondContact O-N 3.24Å; L296-N298 VanDerWaalsContact C-N 3.34Å; N298-E300 PolarHBondContact O-N 2.99Å; N298-Y301 HydrophobicContact CB-CD2 4.25Å; N298-Y301 PolarHBondContact O-N 2.96Å; N298-Q302 PolarHBondContact O-N 2.94Å
299	D	74.8	Confident	80.7	Confident	127 Å²	127	94.4 Å²	94.4	68%	0.679	49%	0.485	S	S	*	.	G	3₁₀ helix	trans	-56.3	-25.5	178.1	-70	-24.4	0	0	0	113.2	Y301 Q302	D299-Y301 VanDerWaalsContact C-N 3.29Å; D299-Y301 PolarHBondContact O-N 2.82Å; D299-Q302 PolarHBondContact O-N 3.33Å; D299-Q302 PolarHBondContact OD1-NE2 2.61Å
300	E	76.4	Confident	81.6	Confident	119 Å²	119	91.9 Å²	91.9	56%	0.556	46%	0.461	S	S	*	.	G	3₁₀ helix	trans	-66.3	-28.3	176.8	-165.8	-174.6	166.1	0	0	113.4	K281 N298	K281-E300 HydrophobicContact CD-CG 4.39Å; K281-E300 IonicContact NZ-OE1 3.26Å; K281-E300 PolarHBondContact NZ-OE1 2.8Å; N298-E300 PolarHBondContact O-N 2.99Å
301	Y	77.9	Confident	82.5	Confident	26 Å²	26	86 Å²	86	10%	0.102	43%	0.434	C	S	.	.	G	3₁₀ helix	trans	-100.4	1.3	-179.4	-67.4	-92.5	0	0	0	112.7	K281 P283 L295 N298 D299	K281-Y301 HydrophobicContact CB-CD1 4.17Å; K281-Y301 HydrophobicContact CB-CE1 4.47Å; K281-Y301 HydrophobicContact CD-CE1 4.36Å; K281-Y301 HydrophobicContact CG-CD1 4.21Å; K281-Y301 HydrophobicContact CG-CE1 4.01Å; K281-Y301 WeakPolarHBondContact O-CD1 3.24Å; P283-Y301 HydrophobicContact CB-CE1 4.16Å; P283-Y301 HydrophobicContact CG-CD1 3.85Å; P283-Y301 HydrophobicContact CG-CE1 3.75Å; L295-Y301 HydrophobicContact CB-CD2 4.25Å; L295-Y301 HydrophobicContact CB-CE2 3.97Å; L295-Y301 HydrophobicContact CD2-CE2 4.06Å; L295-Y301 WeakPolarHBondContact O-CB 3.41Å; L295-Y301 WeakPolarHBondContact O-CD2 3.08Å; N298-Y301 HydrophobicContact CB-CD2 4.25Å; N298-Y301 PolarHBondContact O-N 2.96Å; D299-Y301 VanDerWaalsContact C-N 3.29Å; D299-Y301 PolarHBondContact O-N 2.82Å
302	Q	81.4	Confident	83.5	Confident	100 Å²	100	84.4 Å²	84.4	47%	0.467	42%	0.424	S	S	.	.	S	Bend	trans	-72.6	156.9	170.4	-68.3	-179.6	14.5	0	0	111.2	N298 D299 T304	N298-Q302 PolarHBondContact O-N 2.94Å; D299-Q302 PolarHBondContact O-N 3.33Å; D299-Q302 PolarHBondContact OD1-NE2 2.61Å; Q302-T304 PolarHBondContact O-N 3.22Å
303	E	84.3	Confident	84.5	Confident	81 Å²	81	81.7 Å²	81.7	38%	0.379	41%	0.412	S	S	.	.			trans	-73.6	126.3	178.6	-172.7	179.6	-115.1	0	0	110.5	F278 R362	F278-E303 HydrophobicContact CB-CG 3.87Å; F278-E303 WeakPolarHBondContact CB-OE1 3.08Å; F278-E303 HydrophobicContact CD1-CG 4.29Å; F278-E303 WeakPolarHBondContact CD1-OE2 3.24Å; E303-R362 IonicContact OE1-CZ 3.52Å; E303-R362 IonicContact OE1-NE 3.34Å; E303-R362 PolarHBondContact OE1-NE 3.09Å; E303-R362 IonicContact OE1-NH2 3.78Å; E303-R362 PolarHBondContact OE1-NH2 2.84Å; E303-R362 IonicContact OE2-CZ 3.09Å; E303-R362 IonicContact OE2-NE 2.7Å; E303-R362 IonicContact OE2-NH2 2.97Å; E303-R362 PolarHBondContact OE2-NH2 3.04Å
304	T	89.8	Confident	85.7	Confident	79 Å²	79	77.4 Å²	77.4	49%	0.485	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	136.9	173.9	56.1	0	0	0	0	110	F278 T279 Q302	F278-T304 CarbonylContact C-O 3.43Å; F278-T304 VanDerWaalsContact CA-O 3.27Å; F278-T304 WeakPolarHBondContact CA-O 3.28Å; T279-T304 PolarHBondContact N-O 3.05Å; T279-T304 PolarHBondContact O-N 2.72Å; T279-T304 PolarHBondContact O-OG1 3.31Å; T279-T304 VanDerWaalsContact O-OG1 3.12Å; Q302-T304 PolarHBondContact O-N 3.22Å
305	M	90.8	Very high	86.6	Confident	94 Å²	94	70.9 Å²	70.9	46%	0.463	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	126.6	178.6	-174.6	-80.8	-70.7	0	0	110.2	R276 F278 E307	R276-M305 HydrophobicContact CB-CG 4.26Å; R276-M305 HydrophobicContact CB-SD 4.21Å; R276-M305 HydrophobicContact CG-CG 4.35Å; R276-M305 HydrophobicContact CG-SD 3.76Å; F278-M305 HydrophobicContact CD1-CB 3.76Å; F278-M305 HydrophobicContact CD1-CG 3.71Å; F278-M305 HydrophobicContact CE1-CB 3.87Å; F278-M305 HydrophobicContact CE1-CG 3.45Å; F278-M305 VanDerWaalsContact CE1-CG 3.45Å; F278-M305 HydrophobicContact CG-CG 4.35Å; F278-M305 HydrophobicContact CZ-CG 3.91Å; M305-E307 HydrophobicContact SD-CG 4.04Å
306	V	93.3	Very high	87.4	Confident	89 Å²	89	70.5 Å²	70.5	54%	0.539	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	130	175.8	-178.9	0	0	0	0	109.7	I277	I277-V306 PolarHBondContact N-O 3.4Å; I277-V306 PolarHBondContact O-N 2.86Å
307	E	92.6	Very high	88.2	Confident	122 Å²	122	68.2 Å²	68.2	57%	0.57	35%	0.351	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.3	127.6	169.2	-67.1	-165.1	159.3	0	0	110.5	R276 M305	R276-E307 HydrophobicContact CG-CG 3.98Å; R276-E307 IonicContact NE-OE1 2.75Å; R276-E307 PolarHBondContact NE-OE1 2.92Å; R276-E307 IonicContact NH2-OE1 3.79Å; M305-E307 HydrophobicContact SD-CG 4.04Å
308	S	93.3	Very high	89	Confident	50 Å²	50	63.3 Å²	63.3	35%	0.35	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	150.4	-179.3	-173.7	0	0	0	0	110.8	S274 M275	S274-S308 CarbonylContact C-O 3.52Å; S274-S308 WeakPolarHBondContact CA-O 3.36Å; M275-S308 PolarHBondContact N-O 3.48Å; M275-S308 PolarHBondContact O-N 3.42Å; M275-S308 VanDerWaalsContact O-O 3.13Å
309	T	93.9	Very high	88.9	Confident	87 Å²	87	66 Å²	66	53%	0.534	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	148.2	175.2	64.7	0	0	0	0	110.8	Q272 G273	Q272-T309 PolarHBondContact NE2-OG1 3.3Å; G273-T309 VanDerWaalsContact O-CA 3.31Å; G273-T309 WeakPolarHBondContact O-CA 3.12Å; G273-T309 WeakPolarHBondContact O-CB 3.39Å
310	F	94.2	Very high	88.8	Confident	17 Å²	17	61.6 Å²	61.6	8%	0.075	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	154.2	179.4	65.9	-93.6	0	0	0	111.4	Q272 G273 M275 L313 L365 L372	Q272-F310 WeakPolarHBondContact CA-O 3.13Å; G273-F310 PolarHBondContact N-O 2.94Å; G273-F310 PolarHBondContact O-N 3.2Å; M275-F310 HydrophobicContact CB-CD1 4.33Å; M275-F310 HydrophobicContact CB-CE1 4.3Å; M275-F310 HydrophobicContact CE-CB 3.98Å; M275-F310 HydrophobicContact CE-CD1 3.25Å; M275-F310 HydrophobicContact CE-CE1 3.81Å; M275-F310 HydrophobicContact CE-CG 3.71Å; M275-F310 HydrophobicContact CG-CD1 4.22Å; F310-L313 HydrophobicContact CD1-CD2 4.02Å; F310-L313 HydrophobicContact CD2-CD2 3.58Å; F310-L313 HydrophobicContact CD2-CG 3.92Å; F310-L313 HydrophobicContact CE1-CD2 4Å; F310-L313 HydrophobicContact CE2-CD1 4.14Å; F310-L313 HydrophobicContact CE2-CD2 3.61Å; F310-L313 HydrophobicContact CE2-CG 3.66Å; F310-L313 HydrophobicContact CG-CD2 3.79Å; F310-L313 HydrophobicContact CZ-CD1 4.22Å; F310-L313 HydrophobicContact CZ-CD2 3.81Å; F310-L313 HydrophobicContact CZ-CG 4.13Å; F310-L365 HydrophobicContact CE1-CD2 3.93Å; F310-L365 HydrophobicContact CZ-CD2 4.11Å; F310-L372 HydrophobicContact CE2-CD1 3.72Å; F310-L372 HydrophobicContact CZ-CD1 4.36Å
311	M	93.9	Very high	88.3	Confident	28 Å²	28	60.1 Å²	60.1	14%	0.138	34%	0.336	C	S	.	.	S	Bend	trans	-103.8	-22.1	171.8	-66.1	-66.1	-169.8	0	0	112.5	L249 V267 T268 F271 Q272	L249-M311 HydrophobicContact CD1-CB 4.38Å; V267-M311 HydrophobicContact CG1-CE 4.34Å; V267-M311 HydrophobicContact CG1-SD 4.44Å; T268-M311 HydrophobicContact CG2-CE 3.55Å; F271-M311 HydrophobicContact CB-SD 4.24Å; Q272-M311 HydrophobicContact CB-SD 4.15Å
312	Y	95.9	Very high	87.5	Confident	61 Å²	61	66.5 Å²	66.5	24%	0.239	37%	0.371	C	S	.	.	S	Bend	trans	-151.8	158.1	177.4	58.7	-92.2	0	0	0	109	S246 I373 C375	S246-Y312 WeakPolarHBondContact CB-OH 3.29Å; S246-Y312 WeakPolarHBondContact OG-CE1 3.39Å; S246-Y312 PolarHBondContact OG-OH 2.93Å; Y312-I373 CarbonylContact C-O 3.32Å; Y312-I373 WeakPolarHBondContact CA-O 3.49Å; Y312-C375 HydrophobicContact CD2-CB 4.19Å
313	L	95.9	Very high	86.4	Confident	3 Å²	3	71.7 Å²	71.7	2%	0.016	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	128.1	175.8	-63	177.9	0	0	0	109.9	M275 F310 F344 L365 L372 I373 F374 C375	M275-L313 HydrophobicContact CE-CD2 3.25Å; F310-L313 HydrophobicContact CD1-CD2 4.02Å; F310-L313 HydrophobicContact CD2-CD2 3.58Å; F310-L313 HydrophobicContact CD2-CG 3.92Å; F310-L313 HydrophobicContact CE1-CD2 4Å; F310-L313 HydrophobicContact CE2-CD1 4.14Å; F310-L313 HydrophobicContact CE2-CD2 3.61Å; F310-L313 HydrophobicContact CE2-CG 3.66Å; F310-L313 HydrophobicContact CG-CD2 3.79Å; F310-L313 HydrophobicContact CZ-CD1 4.22Å; F310-L313 HydrophobicContact CZ-CD2 3.81Å; F310-L313 HydrophobicContact CZ-CG 4.13Å; L313-F344 HydrophobicContact CB-CE2 4.23Å; L313-F344 HydrophobicContact CB-CZ 3.94Å; L313-F344 HydrophobicContact CD2-CD1 4.31Å; L313-F344 HydrophobicContact CD2-CE1 3.84Å; L313-F344 HydrophobicContact CD2-CZ 4.1Å; L313-F344 HydrophobicContact CG-CZ 4.44Å; L313-L365 HydrophobicContact CD1-CD1 4.32Å; L313-L365 HydrophobicContact CD1-CD2 4.08Å; L313-L365 HydrophobicContact CD2-CD2 4.24Å; L313-L372 HydrophobicContact CD1-CD1 3.94Å; L313-L372 HydrophobicContact CD1-CD2 4.4Å; L313-L372 HydrophobicContact CG-CD1 4.17Å; L313-I373 PolarHBondContact N-O 3.35Å; L313-F374 HydrophobicContact CB-CD1 4.03Å; L313-F374 HydrophobicContact CB-CE1 4.35Å; L313-F374 HydrophobicContact CD1-CE1 4Å; L313-F374 WeakPolarHBondContact O-CA 3.47Å; L313-C375 PolarHBondContact O-N 3.08Å
314	T	95.3	Very high	85	Confident	49 Å²	49	74 Å²	74	30%	0.301	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	117.1	176.7	-56.2	0	0	0	0	110.5	K343 C375 K377	T314-K343 PolarHBondContact O-NZ 3Å; T314-C375 CarbonylContact C-O 3.49Å; T314-C375 WeakPolarHBondContact CA-O 3.39Å; T314-K377 HydrophobicContact CG2-CB 3.99Å; T314-K377 HydrophobicContact CG2-CD 4.47Å
315	L	94.8	Very high	83.4	Confident	0 Å²	0	73.9 Å²	73.9	0%	0	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	121.8	179	-48.1	-173.4	0	0	0	109.1	L337 I340 L341 F344 F374 C375 I376 K377	L315-L337 HydrophobicContact CD1-CD1 3.65Å; L315-I340 HydrophobicContact CB-CB 4.45Å; L315-I340 HydrophobicContact CB-CD1 3.86Å; L315-I340 HydrophobicContact CB-CG1 4.28Å; L315-I340 HydrophobicContact CD1-CD1 3.66Å; L315-I340 HydrophobicContact CD1-CG1 4.1Å; L315-I340 HydrophobicContact CG-CD1 4.38Å; L315-L341 HydrophobicContact CD1-CD2 4.47Å; L315-L341 HydrophobicContact CD2-CD2 3.79Å; L315-F344 HydrophobicContact CD2-CE2 3.65Å; L315-F344 HydrophobicContact CD2-CZ 4.44Å; L315-F374 HydrophobicContact CD1-CB 3.83Å; L315-F374 HydrophobicContact CD1-CD1 4.21Å; L315-F374 HydrophobicContact CD1-CD2 4.21Å; L315-F374 HydrophobicContact CD1-CG 3.86Å; L315-F374 HydrophobicContact CD2-CD1 4.16Å; L315-F374 HydrophobicContact CG-CB 4.21Å; L315-F374 HydrophobicContact CG-CD1 4.39Å; L315-F374 HydrophobicContact CG-CG 4.39Å; L315-C375 PolarHBondContact N-O 3.03Å; L315-I376 HydrophobicContact CB-CG1 4.46Å; L315-I376 HydrophobicContact CD1-CG1 4.28Å; L315-K377 WeakPolarHBondContact O-CB 2.91Å; L315-K377 PolarHBondContact O-N 3.31Å
316	D	91.8	Very high	81.9	Confident	33 Å²	33	78.8 Å²	78.8	18%	0.176	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	128.2	178.9	-63.2	-53.6	0	0	0	109.3	I340 K343 K350	D316-I340 WeakPolarHBondContact O-CG2 3.45Å; D316-K343 WeakPolarHBondContact OD2-CE 3.24Å; D316-K343 IonicContact OD2-NZ 2.77Å; D316-K343 PolarHBondContact OD2-NZ 3.44Å; D316-K350 IonicContact OD1-NZ 2.61Å; D316-K350 IonicContact OD2-NZ 2.72Å; D316-K350 PolarHBondContact OD2-NZ 3.49Å
317	L	91.1	Very high	80.5	Confident	22 Å²	22	82.4 Å²	82.4	12%	0.115	42%	0.423	C	S	.	.	P	Polyproline II helix	trans	-80.2	147.3	173.2	-68.5	174.5	0	0	0	110.7	V335 I376 R378 N389 V393	L317-V335 HydrophobicContact CD2-CG1 4.13Å; L317-I376 HydrophobicContact CD1-CG2 3.66Å; L317-I376 HydrophobicContact CD2-CG2 3.73Å; L317-I376 HydrophobicContact CG-CG2 3.65Å; L317-R378 HydrophobicContact CD1-CG 3.84Å; L317-N389 WeakPolarHBondContact CB-ND2 3.47Å; L317-N389 HydrophobicContact CD1-CB 4Å; L317-V393 HydrophobicContact CD2-CG2 3.6Å
318	P	86.8	Confident	78.9	Confident	62 Å²	62	83.7 Å²	83.7	40%	0.403	43%	0.429	S	S	.	.	P	Polyproline II helix	trans	-61.3	151.5	168.4	28.6	-34.3	0	0	0	110	A320 V335 N389	P318-A320 PolarHBondContact O-N 3.43Å; P318-V335 HydrophobicContact CG-CB 4.33Å; P318-V335 HydrophobicContact CG-CG2 4.27Å; P318-N389 PolarHBondContact O-ND2 3.28Å
319	T	79.9	Confident	77.3	Confident	136 Å²	136	87.4 Å²	87.4	83%	0.834	44%	0.441	S	S	*	.	P	Polyproline II helix	trans	-58.6	127.2	173.9	46.3	0	0	0	0	109.5
320	A	71	Confident	75.6	Confident	36 Å²	36	90.2 Å²	90.2	30%	0.298	45%	0.452	S	S	.	.	P	Polyproline II helix	trans	-59.5	139.3	178.5	0	0	0	0	0	109.8	P318 L322	P318-A320 PolarHBondContact O-N 3.43Å; A320-L322 PolarHBondContact O-N 3.24Å
321	P	66.9	Low	74.3	Confident	88 Å²	88	95.2 Å²	95.2	57%	0.571	48%	0.478	S	S	*	.	P	Polyproline II helix	trans	-58.3	129.1	175.6	-18.6	30.2	0	0	0	109.8	Y323 P333	P321-Y323 PolarHBondContact O-N 3.1Å; P321-P333 HydrophobicContact CG-CB 4.36Å
322	L	60.2	Low	73.5	Confident	159 Å²	159	97.8 Å²	97.8	83%	0.832	49%	0.492	S	S	*	.			trans	-74.6	-12.5	178.1	-70	168.1	0	0	0	112.8	A320	A320-L322 PolarHBondContact O-N 3.24Å
323	Y	58.3	Low	73.1	Confident	210 Å²	210	96.2 Å²	96.2	82%	0.824	49%	0.489	S	S	*	.	P	Polyproline II helix	trans	-94.5	128.2	-172.2	-56.9	-76.5	0	0	0	111.2	P321	P321-Y323 PolarHBondContact O-N 3.1Å
324	K	55.5	Low	72.7	Confident	129 Å²	129	102.1 Å²	102.1	56%	0.561	52%	0.516	S	S	*	.	P	Polyproline II helix	trans	-79.1	147.6	166.9	-58.7	178.8	-177	177.6	0	108.7
325	D	55.7	Low	72.6	Confident	77 Å²	77	100.4 Å²	100.4	41%	0.412	51%	0.506	S	S	.	.	P	Polyproline II helix	trans	-62.9	167.2	175.2	-166.9	14.4	0	0	0	111.6	K327 E328 I331	D325-K327 PolarHBondContact O-N 2.9Å; D325-E328 PolarHBondContact O-N 2.78Å; D325-I331 HydrophobicContact CB-CD1 4Å; D325-I331 HydrophobicContact CB-CG1 4.42Å
326	E	59.2	Low	72.6	Confident	197 Å²	197	103 Å²	103	92%	0.921	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-17.1	179.5	-66.4	-177.2	167.1	0	0	113.5
327	K	64.3	Low	72.7	Confident	164 Å²	164	101.4 Å²	101.4	71%	0.713	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.8	12.1	177.2	-62.5	-179	-178.7	174.2	0	114.4	D325 Q329	D325-K327 PolarHBondContact O-N 2.9Å; K327-Q329 HydrophobicContact CB-CG 4.33Å; K327-Q329 PolarHBondContact O-N 2.57Å
328	E	58.9	Low	72.7	Confident	150 Å²	150	104.4 Å²	104.4	70%	0.701	53%	0.526	S	S	*	.			trans	55.7	15	-173	-60.5	-155.5	146.7	0	0	115.6	D325	D325-E328 PolarHBondContact O-N 2.78Å
329	Q	59.3	Low	73	Confident	128 Å²	128	106.5 Å²	106.5	60%	0.598	53%	0.534	S	S	*	.			trans	-79	131.7	176.7	-66	-172.6	-4.7	0	0	110.3	K327 I331	K327-Q329 HydrophobicContact CB-CG 4.33Å; K327-Q329 PolarHBondContact O-N 2.57Å; Q329-I331 PolarHBondContact O-N 2.86Å
330	L	58.8	Low	73.6	Confident	145 Å²	145	100.5 Å²	100.5	76%	0.759	50%	0.497	S	S	*	.			trans	-73.7	91.9	170.9	-72.3	161.6	0	0	0	108.2	I332	L330-I332 PolarHBondContact O-N 2.77Å
331	I	67.1	Low	74.7	Confident	122 Å²	122	99 Å²	99	63%	0.626	48%	0.484	S	S	*	.	P	Polyproline II helix	trans	-67.3	117.3	168.4	-59.4	175.5	0	0	0	106.8	D325 Q329 P333	D325-I331 HydrophobicContact CB-CD1 4Å; D325-I331 HydrophobicContact CB-CG1 4.42Å; Q329-I331 PolarHBondContact O-N 2.86Å; I331-P333 VanDerWaalsContact O-CD 3.27Å; I331-P333 WeakPolarHBondContact O-CD 3.35Å
332	I	77	Confident	75.8	Confident	83 Å²	83	96.1 Å²	96.1	43%	0.426	47%	0.467	S	S	.	.	P	Polyproline II helix	trans	-69.6	116.4	175.5	-54.4	175.1	0	0	0	107.4	L330 P390 I392	L330-I332 PolarHBondContact O-N 2.77Å; I332-P390 HydrophobicContact CG2-CB 4.36Å; I332-P390 WeakPolarHBondContact CG2-O 3.32Å; I332-I392 HydrophobicContact CG2-CD1 4.29Å; I332-I392 HydrophobicContact CG2-CG1 3.74Å
333	P	86.3	Confident	77.3	Confident	28 Å²	28	90.1 Å²	90.1	18%	0.182	43%	0.434	C	S	.	.	P	Polyproline II helix	trans	-65.5	150.9	-178.5	26.5	-33.4	0	0	0	110.5	P321 I331 T391 I392	P321-P333 HydrophobicContact CG-CB 4.36Å; I331-P333 VanDerWaalsContact O-CD 3.27Å; I331-P333 WeakPolarHBondContact O-CD 3.35Å; P333-T391 HydrophobicContact CB-CG2 4.3Å; P333-T391 HydrophobicContact CG-CG2 4.22Å; P333-T391 WeakPolarHBondContact CG-OG1 3.45Å; P333-T391 CarbonylContact O-C 3.56Å; P333-T391 VanDerWaalsContact O-CA 3.3Å; P333-T391 WeakPolarHBondContact O-CA 3.34Å; P333-T391 WeakPolarHBondContact O-CG2 3.49Å; P333-I392 PolarHBondContact O-N 3.23Å
334	Q	88.8	Confident	78.9	Confident	127 Å²	127	80.4 Å²	80.4	59%	0.593	40%	0.397	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.3	142.1	177.6	-55.1	-172.7	14.9	0	0	110.5	I392 N394	Q334-I392 CarbonylContact C-O 3.58Å; Q334-I392 VanDerWaalsContact CA-O 3.29Å; Q334-I392 WeakPolarHBondContact CA-O 3.35Å; Q334-I392 HydrophobicContact CG-CB 4.29Å; Q334-N394 PolarHBondContact OE1-ND2 3.31Å
335	V	93.1	Very high	80.5	Confident	13 Å²	13	76 Å²	76	8%	0.079	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	132.2	176.8	69.2	0	0	0	0	110.8	L317 P318 N339 I340 T391 I392 V393 N394	L317-V335 HydrophobicContact CD2-CG1 4.13Å; P318-V335 HydrophobicContact CG-CB 4.33Å; P318-V335 HydrophobicContact CG-CG2 4.27Å; V335-N339 HydrophobicContact CG2-CB 4.07Å; V335-I340 HydrophobicContact CG1-CG2 4.2Å; V335-I340 HydrophobicContact CG2-CG2 4.13Å; V335-T391 HydrophobicContact CB-CG2 4.08Å; V335-T391 HydrophobicContact CG1-CG2 3.68Å; V335-I392 PolarHBondContact N-O 2.97Å; V335-V393 HydrophobicContact CG1-CG2 4.05Å; V335-V393 CarbonylContact O-C 3.02Å; V335-V393 VanDerWaalsContact O-CA 3.29Å; V335-V393 WeakPolarHBondContact O-CA 3.44Å; V335-N394 PolarHBondContact O-N 2.94Å
336	P	94.1	Very high	81.9	Confident	54 Å²	54	72.4 Å²	72.4	35%	0.351	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	141.9	170.9	-22.7	33.7	0	0	0	112.3	F338 N339	P336-F338 VanDerWaalsContact C-N 3.25Å; P336-F338 PolarHBondContact O-N 2.72Å; P336-N339 WeakPolarHBondContact O-CB 3.49Å; P336-N339 PolarHBondContact O-N 3.04Å; P336-N339 VanDerWaalsContact O-N 3.12Å
337	L	93.4	Very high	83.2	Confident	0 Å²	0	69.4 Å²	69.4	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-55.6	-39.7	175.9	174.4	64	0	0	0	112.4	L315 N339 I340 L341 F374 V393 N394 F395 W474	L315-L337 HydrophobicContact CD1-CD1 3.65Å; L337-N339 PolarHBondContact O-N 3Å; L337-I340 HydrophobicContact CD1-CD1 4Å; L337-I340 HydrophobicContact CD1-CG1 4.09Å; L337-I340 WeakPolarHBondContact O-CG1 3.27Å; L337-I340 PolarHBondContact O-N 2.93Å; L337-L341 HydrophobicContact CD1-CD1 4.1Å; L337-L341 HydrophobicContact CD1-CG 4.04Å; L337-L341 HydrophobicContact CD2-CD1 4.18Å; L337-L341 HydrophobicContact CG-CD1 3.72Å; L337-L341 HydrophobicContact CG-CG 4.14Å; L337-L341 WeakPolarHBondContact O-CG 3.41Å; L337-L341 PolarHBondContact O-N 3.37Å; L337-F374 HydrophobicContact CD1-CD2 4.44Å; L337-F374 HydrophobicContact CD2-CE2 4.41Å; L337-V393 HydrophobicContact CB-CG1 4.06Å; L337-V393 HydrophobicContact CD1-CG1 4.31Å; L337-N394 PolarHBondContact N-O 2.8Å; L337-F395 HydrophobicContact CB-CB 3.83Å; L337-F395 HydrophobicContact CD2-CB 3.66Å; L337-F395 HydrophobicContact CG-CB 4.32Å; L337-W474 HydrophobicContact CD2-CH2 4.31Å; L337-W474 HydrophobicContact CD2-CZ2 4.05Å
338	F	92.4	Very high	84.3	Confident	85 Å²	85	64.5 Å²	64.5	37%	0.373	33%	0.333	S	S	.	.	H	α-helix	trans	-60.1	-32.5	-179.8	-56.6	-76.6	0	0	0	112.8	P336 L341 A342 P396 V400 Y405	P336-F338 VanDerWaalsContact C-N 3.25Å; P336-F338 PolarHBondContact O-N 2.72Å; F338-L341 PolarHBondContact O-N 2.88Å; F338-A342 PolarHBondContact O-N 3.32Å; F338-P396 HydrophobicContact CE2-CG 4.3Å; F338-P396 HydrophobicContact CZ-CG 4.06Å; F338-V400 HydrophobicContact CE1-CG1 4.43Å; F338-Y405 PolarHBondContact O-OH 2.86Å
339	N	92.2	Very high	85.6	Confident	105 Å²	105	62.3 Å²	62.3	56%	0.561	32%	0.323	S	S	*	.	H	α-helix	trans	-68.8	-40	178.8	-67.3	12.5	0	0	0	111.6	V335 P336 L337 A342	V335-N339 HydrophobicContact CG2-CB 4.07Å; P336-N339 WeakPolarHBondContact O-CB 3.49Å; P336-N339 PolarHBondContact O-N 3.04Å; P336-N339 VanDerWaalsContact O-N 3.12Å; L337-N339 PolarHBondContact O-N 3Å; N339-A342 WeakPolarHBondContact O-CB 3.43Å; N339-A342 PolarHBondContact O-N 3.16Å
340	I	93.1	Very high	86.8	Confident	11 Å²	11	59.9 Å²	59.9	6%	0.056	31%	0.31	C	S	.	.	H	α-helix	trans	-79.2	-24.7	178	60.2	178.2	0	0	0	112.1	L315 D316 V335 L337 A342 V393	L315-I340 HydrophobicContact CB-CB 4.45Å; L315-I340 HydrophobicContact CB-CD1 3.86Å; L315-I340 HydrophobicContact CB-CG1 4.28Å; L315-I340 HydrophobicContact CD1-CD1 3.66Å; L315-I340 HydrophobicContact CD1-CG1 4.1Å; L315-I340 HydrophobicContact CG-CD1 4.38Å; D316-I340 WeakPolarHBondContact O-CG2 3.45Å; V335-I340 HydrophobicContact CG1-CG2 4.2Å; V335-I340 HydrophobicContact CG2-CG2 4.13Å; L337-I340 HydrophobicContact CD1-CD1 4Å; L337-I340 HydrophobicContact CD1-CG1 4.09Å; L337-I340 WeakPolarHBondContact O-CG1 3.27Å; L337-I340 PolarHBondContact O-N 2.93Å; I340-A342 VanDerWaalsContact C-N 3.34Å; I340-V393 HydrophobicContact CD1-CG1 3.68Å; I340-V393 HydrophobicContact CD1-CG2 4.07Å
341	L	93.1	Very high	88	Confident	4 Å²	4	57 Å²	57	2%	0.021	29%	0.293	C	S	.	.	H	α-helix	trans	-73.7	-22.3	171.3	-74.4	175.2	0	0	0	113.4	L315 L337 F338 K343 F344 F374 L402 Y405	L315-L341 HydrophobicContact CD1-CD2 4.47Å; L315-L341 HydrophobicContact CD2-CD2 3.79Å; L337-L341 HydrophobicContact CD1-CD1 4.1Å; L337-L341 HydrophobicContact CD1-CG 4.04Å; L337-L341 HydrophobicContact CD2-CD1 4.18Å; L337-L341 HydrophobicContact CG-CD1 3.72Å; L337-L341 HydrophobicContact CG-CG 4.14Å; L337-L341 WeakPolarHBondContact O-CG 3.41Å; L337-L341 PolarHBondContact O-N 3.37Å; F338-L341 PolarHBondContact O-N 2.88Å; L341-K343 PolarHBondContact O-N 3.2Å; L341-F344 HydrophobicContact CD2-CD2 4.4Å; L341-F344 PolarHBondContact O-N 2.95Å; L341-F374 HydrophobicContact CD1-CZ 4.39Å; L341-F374 HydrophobicContact CD2-CD1 4.47Å; L341-F374 HydrophobicContact CD2-CE1 3.72Å; L341-F374 HydrophobicContact CD2-CE2 4.4Å; L341-F374 HydrophobicContact CD2-CZ 3.71Å; L341-L402 HydrophobicContact CD1-CD2 3.83Å; L341-Y405 HydrophobicContact CB-CE1 3.86Å; L341-Y405 HydrophobicContact CB-CE2 4.11Å; L341-Y405 HydrophobicContact CD1-CE2 4.11Å; L341-Y405 WeakPolarHBondContact O-CE1 3.35Å
342	A	91.1	Very high	88.7	Confident	27 Å²	27	54.5 Å²	54.5	22%	0.223	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-52.4	-25.4	176.4	0	0	0	0	0	112.9	F338 N339 I340 F344 N345 T348	F338-A342 PolarHBondContact O-N 3.32Å; N339-A342 WeakPolarHBondContact O-CB 3.43Å; N339-A342 PolarHBondContact O-N 3.16Å; I340-A342 VanDerWaalsContact C-N 3.34Å; A342-F344 PolarHBondContact O-N 3.31Å; A342-N345 PolarHBondContact O-N 3.19Å; A342-N345 VanDerWaalsContact O-N 3.14Å; A342-N345 PolarHBondContact O-ND2 3.26Å; A342-N345 PolarHBondContact O-OD1 3.39Å; A342-T348 WeakPolarHBondContact O-CB 3.24Å; A342-T348 PolarHBondContact O-OG1 2.91Å
343	K	90.9	Very high	88.8	Confident	33 Å²	33	57.5 Å²	57.5	14%	0.143	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-49.1	-27.8	170.1	179.7	178.1	173.5	-177.9	0	114.5	T314 D316 L341 F363	T314-K343 PolarHBondContact O-NZ 3Å; D316-K343 WeakPolarHBondContact OD2-CE 3.24Å; D316-K343 IonicContact OD2-NZ 2.77Å; D316-K343 PolarHBondContact OD2-NZ 3.44Å; L341-K343 PolarHBondContact O-N 3.2Å; K343-F363 HydrophobicContact CG-CD2 4.2Å
344	F	92.2	Very high	88.3	Confident	7 Å²	7	59.7 Å²	59.7	3%	0.031	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-105.7	10.2	-174.4	-54.5	-76.8	0	0	0	114.5	M275 L313 L315 L341 A342 G346 F363 Q364 L365 Y405	M275-F344 HydrophobicContact CE-CD1 4.5Å; M275-F344 HydrophobicContact CE-CE1 4.26Å; L313-F344 HydrophobicContact CB-CE2 4.23Å; L313-F344 HydrophobicContact CB-CZ 3.94Å; L313-F344 HydrophobicContact CD2-CD1 4.31Å; L313-F344 HydrophobicContact CD2-CE1 3.84Å; L313-F344 HydrophobicContact CD2-CZ 4.1Å; L313-F344 HydrophobicContact CG-CZ 4.44Å; L315-F344 HydrophobicContact CD2-CE2 3.65Å; L315-F344 HydrophobicContact CD2-CZ 4.44Å; L341-F344 HydrophobicContact CD2-CD2 4.4Å; L341-F344 PolarHBondContact O-N 2.95Å; A342-F344 PolarHBondContact O-N 3.31Å; F344-G346 VanDerWaalsContact C-N 3.28Å; F344-G346 PolarHBondContact O-N 3.08Å; F344-F363 CarbonylContact C-O 3.52Å; F344-F363 VanDerWaalsContact CA-O 3.23Å; F344-F363 WeakPolarHBondContact CA-O 3.38Å; F344-F363 HydrophobicContact CD1-CB 3.88Å; F344-F363 HydrophobicContact CE1-CB 4.45Å; F344-Q364 WeakPolarHBondContact O-CA 3.4Å; F344-L365 HydrophobicContact CB-CD1 4.29Å; F344-L365 HydrophobicContact CB-CD2 4.19Å; F344-L365 HydrophobicContact CB-CG 3.96Å; F344-L365 HydrophobicContact CD1-CD2 4.25Å; F344-L365 HydrophobicContact CG-CD2 4.4Å; F344-Y405 VanDerWaalsContact O-O 3.09Å
345	N	88.9	Confident	87.3	Confident	36 Å²	36	65.4 Å²	65.4	19%	0.193	32%	0.317	C	S	.	.	B	Isolated β-bridge	trans	-77.5	-6.5	-179.8	64.9	6.1	0	0	0	114.6	A342 I347 T348 Y405	A342-N345 PolarHBondContact O-N 3.19Å; A342-N345 VanDerWaalsContact O-N 3.14Å; A342-N345 PolarHBondContact O-ND2 3.26Å; A342-N345 PolarHBondContact O-OD1 3.39Å; N345-I347 VanDerWaalsContact C-N 3.25Å; N345-I347 PolarHBondContact O-N 2.88Å; N345-I347 WeakPolarHBondContact OD1-CA 3.3Å; N345-I347 PolarHBondContact OD1-N 2.79Å; N345-T348 PolarHBondContact ND2-OG1 2.92Å; N345-T348 PolarHBondContact OD1-N 3.18Å; N345-T348 PolarHBondContact OD1-OG1 3.22Å; N345-Y405 HydrophobicContact CB-CD1 4.01Å
346	G	84.9	Confident	86.2	Confident	2 Å²	2	73.7 Å²	73.7	2%	0.021	35%	0.352	C	S	.	.	S	Bend	trans	77.4	3.1	-174.6	0	0	0	0	0	115.3	F344 R362 F363	F344-G346 VanDerWaalsContact C-N 3.28Å; F344-G346 PolarHBondContact O-N 3.08Å; G346-R362 WeakPolarHBondContact O-CD 3.19Å; G346-R362 PolarHBondContact O-NH1 3.3Å; G346-F363 VanDerWaalsContact CA-O 3.28Å; G346-F363 WeakPolarHBondContact CA-O 3.38Å; G346-F363 PolarHBondContact N-O 2.92Å
347	I	87.7	Confident	85.5	Confident	134 Å²	134	74.5 Å²	74.5	69%	0.687	35%	0.351	S	S	*	.			trans	-113	-43.1	-178.9	-55	170.7	0	0	0	110.4	N345 E349	N345-I347 VanDerWaalsContact C-N 3.25Å; N345-I347 PolarHBondContact O-N 2.88Å; N345-I347 WeakPolarHBondContact OD1-CA 3.3Å; N345-I347 PolarHBondContact OD1-N 2.79Å; I347-E349 PolarHBondContact O-N 3.3Å; I347-E349 VanDerWaalsContact O-N 3.12Å
348	T	86.5	Confident	85	Confident	61 Å²	61	75.7 Å²	75.7	37%	0.374	36%	0.358	S	S	.	.			trans	-71	109.9	-175.8	-58.7	0	0	0	0	110.8	A342 N345	A342-T348 WeakPolarHBondContact O-CB 3.24Å; A342-T348 PolarHBondContact O-OG1 2.91Å; N345-T348 PolarHBondContact ND2-OG1 2.92Å; N345-T348 PolarHBondContact OD1-N 3.18Å; N345-T348 PolarHBondContact OD1-OG1 3.22Å
349	E	86.4	Confident	84.6	Confident	104 Å²	104	73.7 Å²	73.7	49%	0.486	35%	0.349	S	S	.	.			trans	-84.7	139.3	173.9	-62.7	-177.1	165.3	0	0	110.7	I347 L360 R362	I347-E349 PolarHBondContact O-N 3.3Å; I347-E349 VanDerWaalsContact O-N 3.12Å; E349-L360 HydrophobicContact CB-CD2 4.37Å; E349-R362 HydrophobicContact CG-CB 4.33Å
350	K	85.4	Confident	84.4	Confident	77 Å²	77	70.3 Å²	70.3	34%	0.335	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	131.3	174.2	-176.6	167	178.4	166.2	0	110.1	D316 Y352 K361	D316-K350 IonicContact OD1-NZ 2.61Å; D316-K350 IonicContact OD2-NZ 2.72Å; D316-K350 PolarHBondContact OD2-NZ 3.49Å; K350-Y352 HydrophobicContact CB-CE2 3.84Å; K350-Y352 HydrophobicContact CD-CE2 4.22Å; K350-Y352 HydrophobicContact CG-CD2 4.44Å; K350-Y352 HydrophobicContact CG-CE2 3.85Å; K350-Y352 VanDerWaalsContact O-CD2 3.23Å; K350-Y352 WeakPolarHBondContact O-CD2 3.38Å; K350-K361 PolarHBondContact N-O 2.94Å; K350-K361 PolarHBondContact O-N 2.91Å
351	E	83.6	Confident	84.2	Confident	85 Å²	85	72.9 Å²	72.9	40%	0.397	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	128.3	175	-163	-174.2	-174.6	0	0	110.3	L282 K353 N358 F359 L360	L282-E351 HydrophobicContact CD1-CG 4.29Å; E351-K353 HydrophobicContact CG-CG 4.39Å; E351-K353 WeakPolarHBondContact OE1-CE 3.37Å; E351-K353 IonicContact OE1-NZ 3.36Å; E351-K353 WeakPolarHBondContact OE2-CE 3.49Å; E351-K353 IonicContact OE2-NZ 3.81Å; E351-K353 PolarHBondContact OE2-NZ 3.32Å; E351-N358 PolarHBondContact OE1-ND2 2.93Å; E351-F359 CarbonylContact C-O 3.52Å; E351-F359 WeakPolarHBondContact CA-O 3.27Å; E351-L360 HydrophobicContact CB-CD2 4.15Å; E351-L360 HydrophobicContact CG-CD2 4.5Å
352	Y	82.3	Confident	84.2	Confident	68 Å²	68	75.5 Å²	75.5	27%	0.267	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	118.8	173.2	-69.1	-93.7	0	0	0	108.3	K350 F359 K361 F363	K350-Y352 HydrophobicContact CB-CE2 3.84Å; K350-Y352 HydrophobicContact CD-CE2 4.22Å; K350-Y352 HydrophobicContact CG-CD2 4.44Å; K350-Y352 HydrophobicContact CG-CE2 3.85Å; K350-Y352 VanDerWaalsContact O-CD2 3.23Å; K350-Y352 WeakPolarHBondContact O-CD2 3.38Å; Y352-F359 PolarHBondContact N-O 3.27Å; Y352-F359 PolarHBondContact O-N 3.06Å; Y352-K361 HydrophobicContact CD2-CB 3.86Å; Y352-K361 HydrophobicContact CD2-CD 3.89Å; Y352-K361 HydrophobicContact CD2-CG 3.83Å; Y352-K361 HydrophobicContact CE2-CB 3.72Å; Y352-K361 HydrophobicContact CE2-CD 4.11Å; Y352-K361 HydrophobicContact CE2-CG 4.14Å; Y352-K361 HydrophobicContact CG-CD 4.41Å; Y352-F363 HydrophobicContact CE2-CE2 4.15Å; Y352-F363 HydrophobicContact CE2-CZ 4.34Å; Y352-F363 WeakPolarHBondContact OH-CE2 3.4Å
353	K	78.7	Confident	84.3	Confident	147 Å²	147	75.4 Å²	75.4	64%	0.639	35%	0.345	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.6	127.1	179.4	-55.7	-171.5	175.9	177	0	109.4	E351 N358	E351-K353 HydrophobicContact CG-CG 4.39Å; E351-K353 WeakPolarHBondContact OE1-CE 3.37Å; E351-K353 IonicContact OE1-NZ 3.36Å; E351-K353 WeakPolarHBondContact OE2-CE 3.49Å; E351-K353 IonicContact OE2-NZ 3.81Å; E351-K353 PolarHBondContact OE2-NZ 3.32Å; K353-N358 WeakPolarHBondContact CG-OD1 3.16Å
354	T	75	Confident	84.4	Confident	74 Å²	74	75.5 Å²	75.5	45%	0.454	35%	0.346	S	S	.	.			trans	-104.1	174.3	165.6	67.7	0	0	0	0	109	K356 E357 F359	T354-K356 PolarHBondContact O-N 3.15Å; T354-E357 PolarHBondContact N-O 3.37Å; T354-E357 PolarHBondContact OG1-N 3.09Å; T354-E357 PolarHBondContact OG1-O 2.91Å; T354-F359 HydrophobicContact CG2-CD2 4.25Å; T354-F359 HydrophobicContact CG2-CE2 3.89Å
355	Y	68.5	Low	84.5	Confident	247 Å²	247	75.3 Å²	75.3	97%	0.969	35%	0.346	S	S	*	.	S	Bend	trans	-59.4	-18.4	178.5	-68.6	-77.3	0	0	0	114.5
356	K	70.1	Confident	84.6	Confident	186 Å²	186	74.2 Å²	74.2	81%	0.809	34%	0.34	S	S	*	.	S	Bend	trans	-128.5	-23.5	-174.3	-64.6	-173.4	178.3	-174.9	0	114.1	T354	T354-K356 PolarHBondContact O-N 3.15Å
357	E	78	Confident	84.9	Confident	71 Å²	71	78.3 Å²	78.3	33%	0.332	36%	0.358	S	S	.	.			trans	-143	143.6	-167.8	-58.7	-176	171	0	0	111.6	K281 T354 F359	K281-E357 VanDerWaalsContact CE-CD 3.4Å; K281-E357 WeakPolarHBondContact CE-OE2 3.4Å; K281-E357 IonicContact NZ-OE1 3.95Å; K281-E357 PolarHBondContact NZ-OE1 3.48Å; K281-E357 IonicContact NZ-OE2 3.84Å; K281-E357 PolarHBondContact NZ-OE2 2.89Å; T354-E357 PolarHBondContact N-O 3.37Å; T354-E357 PolarHBondContact OG1-N 3.09Å; T354-E357 PolarHBondContact OG1-O 2.91Å; E357-F359 HydrophobicContact CB-CE2 3.72Å; E357-F359 HydrophobicContact CB-CZ 3.82Å; E357-F359 WeakPolarHBondContact OE2-CZ 3.36Å
358	N	83.1	Confident	85.2	Confident	26 Å²	26	72 Å²	72	14%	0.139	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	137.5	173.1	-65.8	-17.8	0	0	0	109.1	L282 E351 K353	L282-N358 HydrophobicContact CB-CB 3.96Å; L282-N358 HydrophobicContact CD1-CB 4.31Å; L282-N358 PolarHBondContact N-O 3.5Å; E351-N358 PolarHBondContact OE1-ND2 2.93Å; K353-N358 WeakPolarHBondContact CG-OD1 3.16Å
359	F	85	Confident	85.5	Confident	43 Å²	43	69.1 Å²	69.1	19%	0.189	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	136.5	178.7	-58	-87	0	0	0	110	T279 K280 K281 E351 Y352 T354 E357	T279-F359 HydrophobicContact CG2-CB 4.27Å; T279-F359 HydrophobicContact CG2-CD1 3.83Å; T279-F359 HydrophobicContact CG2-CG 4.37Å; K280-F359 CarbonylContact O-C 3.52Å; K280-F359 WeakPolarHBondContact O-CA 3.37Å; K281-F359 HydrophobicContact CB-CD1 4.18Å; K281-F359 HydrophobicContact CB-CE1 4.23Å; K281-F359 HydrophobicContact CD-CE1 4.37Å; K281-F359 HydrophobicContact CG-CD1 4.38Å; K281-F359 HydrophobicContact CG-CE1 4.15Å; E351-F359 CarbonylContact C-O 3.52Å; E351-F359 WeakPolarHBondContact CA-O 3.27Å; Y352-F359 PolarHBondContact N-O 3.27Å; Y352-F359 PolarHBondContact O-N 3.06Å; T354-F359 HydrophobicContact CG2-CD2 4.25Å; T354-F359 HydrophobicContact CG2-CE2 3.89Å; E357-F359 HydrophobicContact CB-CE2 3.72Å; E357-F359 HydrophobicContact CB-CZ 3.82Å; E357-F359 WeakPolarHBondContact OE2-CZ 3.36Å
360	L	87.4	Confident	85.9	Confident	34 Å²	34	66.5 Å²	66.5	18%	0.178	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	129.2	160.2	-68.9	169.4	0	0	0	108.3	T279 K280 L282 E349 E351	T279-L360 WeakPolarHBondContact CA-O 3.41Å; K280-L360 HydrophobicContact CB-CB 4.39Å; K280-L360 PolarHBondContact N-O 3.16Å; K280-L360 PolarHBondContact O-N 3.07Å; L282-L360 HydrophobicContact CD1-CD1 4.06Å; L282-L360 HydrophobicContact CD1-CD2 4.18Å; L282-L360 HydrophobicContact CD1-CG 3.71Å; L282-L360 HydrophobicContact CD2-CD1 3.68Å; L282-L360 HydrophobicContact CD2-CG 4.14Å; L282-L360 HydrophobicContact CG-CD1 4.05Å; L282-L360 HydrophobicContact CG-CG 3.92Å; E349-L360 HydrophobicContact CB-CD2 4.37Å; E351-L360 HydrophobicContact CB-CD2 4.15Å; E351-L360 HydrophobicContact CG-CD2 4.5Å
361	K	90.3	Very high	86.5	Confident	64 Å²	64	63.5 Å²	63.5	28%	0.278	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	136.8	171.1	-58.5	-175.2	174.5	-174.7	0	110.7	F278 T279 K350 Y352 F363	F278-K361 VanDerWaalsContact O-CA 3.23Å; F278-K361 WeakPolarHBondContact O-CA 3.37Å; T279-K361 HydrophobicContact CG2-CG 4.18Å; K350-K361 PolarHBondContact N-O 2.94Å; K350-K361 PolarHBondContact O-N 2.91Å; Y352-K361 HydrophobicContact CD2-CB 3.86Å; Y352-K361 HydrophobicContact CD2-CD 3.89Å; Y352-K361 HydrophobicContact CD2-CG 3.83Å; Y352-K361 HydrophobicContact CE2-CB 3.72Å; Y352-K361 HydrophobicContact CE2-CD 4.11Å; Y352-K361 HydrophobicContact CE2-CG 4.14Å; Y352-K361 HydrophobicContact CG-CD 4.41Å; K361-F363 HydrophobicContact CB-CE2 3.97Å; K361-F363 HydrophobicContact CB-CZ 4.03Å; K361-F363 HydrophobicContact CD-CZ 4.36Å
362	R	92.5	Very high	87.1	Confident	59 Å²	59	59.5 Å²	59.5	22%	0.223	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	145.3	167.6	60.2	-178.1	-172.7	130	-5.4	109.3	F278 E303 G346 E349	F278-R362 HydrophobicContact CB-CG 3.54Å; F278-R362 HydrophobicContact CD2-CG 3.82Å; F278-R362 HydrophobicContact CG-CG 3.96Å; F278-R362 PolarHBondContact N-O 3.27Å; F278-R362 PolarHBondContact O-N 3.38Å; F278-R362 VanDerWaalsContact O-N 3.09Å; E303-R362 IonicContact OE1-CZ 3.52Å; E303-R362 IonicContact OE1-NE 3.34Å; E303-R362 PolarHBondContact OE1-NE 3.09Å; E303-R362 IonicContact OE1-NH2 3.78Å; E303-R362 PolarHBondContact OE1-NH2 2.84Å; E303-R362 IonicContact OE2-CZ 3.09Å; E303-R362 IonicContact OE2-NE 2.7Å; E303-R362 IonicContact OE2-NH2 2.97Å; E303-R362 PolarHBondContact OE2-NH2 3.04Å; G346-R362 WeakPolarHBondContact O-CD 3.19Å; G346-R362 PolarHBondContact O-NH1 3.3Å; E349-R362 HydrophobicContact CG-CB 4.33Å
363	F	93.5	Very high	87.8	Confident	25 Å²	25	56.3 Å²	56.3	11%	0.11	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	136.3	-175	-55.7	-96.8	0	0	0	108.7	M275 R276 I277 K343 F344 G346 Y352 K361	M275-F363 HydrophobicContact SD-CB 4.43Å; M275-F363 HydrophobicContact SD-CD1 3.82Å; R276-F363 WeakPolarHBondContact O-CA 3.31Å; I277-F363 HydrophobicContact CB-CD1 4.46Å; I277-F363 HydrophobicContact CD1-CD1 4.3Å; I277-F363 HydrophobicContact CD1-CE1 4.12Å; I277-F363 HydrophobicContact CG1-CD1 3.89Å; I277-F363 HydrophobicContact CG1-CE1 4.11Å; I277-F363 HydrophobicContact CG2-CD1 4.11Å; I277-F363 HydrophobicContact CG2-CE1 3.82Å; I277-F363 HydrophobicContact CG2-CZ 4.47Å; K343-F363 HydrophobicContact CG-CD2 4.2Å; F344-F363 CarbonylContact C-O 3.52Å; F344-F363 VanDerWaalsContact CA-O 3.23Å; F344-F363 WeakPolarHBondContact CA-O 3.38Å; F344-F363 HydrophobicContact CD1-CB 3.88Å; F344-F363 HydrophobicContact CE1-CB 4.45Å; G346-F363 VanDerWaalsContact CA-O 3.28Å; G346-F363 WeakPolarHBondContact CA-O 3.38Å; G346-F363 PolarHBondContact N-O 2.92Å; Y352-F363 HydrophobicContact CE2-CE2 4.15Å; Y352-F363 HydrophobicContact CE2-CZ 4.34Å; Y352-F363 WeakPolarHBondContact OH-CE2 3.4Å; K361-F363 HydrophobicContact CB-CE2 3.97Å; K361-F363 HydrophobicContact CB-CZ 4.03Å; K361-F363 HydrophobicContact CD-CZ 4.36Å
364	Q	93.1	Very high	88.7	Confident	35 Å²	35	49.3 Å²	49.3	16%	0.164	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	129.1	177.6	-170.8	176.6	50.6	0	0	110.1	M275 R276 F278 F344	M275-Q364 CarbonylContact C-O 3.57Å; M275-Q364 WeakPolarHBondContact CA-O 3.45Å; M275-Q364 VanDerWaalsContact CB-O 3.24Å; M275-Q364 WeakPolarHBondContact CB-O 2.99Å; R276-Q364 PolarHBondContact N-O 2.92Å; R276-Q364 PolarHBondContact O-N 3.4Å; F278-Q364 HydrophobicContact CE2-CB 4.16Å; F344-Q364 WeakPolarHBondContact O-CA 3.4Å
365	L	93.4	Very high	89.8	Confident	3 Å²	3	45.9 Å²	45.9	2%	0.016	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	138.3	179.2	-57	178.7	0	0	0	110.6	M275 F310 L313 F344 L368 Y405 L406 S407	M275-L365 HydrophobicContact CB-CD2 4.16Å; M275-L365 HydrophobicContact CE-CD2 4.43Å; F310-L365 HydrophobicContact CE1-CD2 3.93Å; F310-L365 HydrophobicContact CZ-CD2 4.11Å; L313-L365 HydrophobicContact CD1-CD1 4.32Å; L313-L365 HydrophobicContact CD1-CD2 4.08Å; L313-L365 HydrophobicContact CD2-CD2 4.24Å; F344-L365 HydrophobicContact CB-CD1 4.29Å; F344-L365 HydrophobicContact CB-CD2 4.19Å; F344-L365 HydrophobicContact CB-CG 3.96Å; F344-L365 HydrophobicContact CD1-CD2 4.25Å; F344-L365 HydrophobicContact CG-CD2 4.4Å; L365-L368 HydrophobicContact CB-CD2 4.41Å; L365-L368 HydrophobicContact CD1-CD2 3.72Å; L365-Y405 WeakPolarHBondContact CB-O 3.23Å; L365-Y405 PolarHBondContact N-O 3.21Å; L365-Y405 VanDerWaalsContact N-O 3.16Å; L365-L406 HydrophobicContact CB-CD2 3.77Å; L365-L406 WeakPolarHBondContact O-CA 3.41Å; L365-S407 PolarHBondContact O-N 3.44Å
366	T	91.6	Very high	91.1	Very high	14 Å²	14	34.2 Å²	34.2	9%	0.086	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	-20.8	176.4	57.5	0	0	0	0	113.5	S274 M275 R276 V410	S274-T366 WeakPolarHBondContact CB-OG1 3.47Å; S274-T366 PolarHBondContact O-N 3.27Å; S274-T366 PolarHBondContact O-OG1 2.96Å; S274-T366 PolarHBondContact OG-OG1 2.57Å; M275-T366 PolarHBondContact N-OG1 2.79Å; R276-T366 HydrophobicContact CB-CG2 4.37Å; R276-T366 HydrophobicContact CG-CG2 3.64Å; T366-V410 WeakPolarHBondContact O-CG1 3.24Å; T366-V410 VanDerWaalsContact O-CG2 3.32Å; T366-V410 WeakPolarHBondContact O-CG2 3.46Å
367	K	91.4	Very high	92.1	Very high	88 Å²	88	30.4 Å²	30.4	38%	0.383	14%	0.142	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	127.4	174.5	-174.6	-169.6	173	-154.4	0	110.6	G273 S274	G273-K367 VanDerWaalsContact CA-O 3.25Å; G273-K367 WeakPolarHBondContact CA-O 3.31Å; S274-K367 PolarHBondContact N-O 2.86Å; S274-K367 VanDerWaalsContact N-O 3.11Å; S274-K367 PolarHBondContact O-N 3.35Å; S274-K367 WeakPolarHBondContact OG-CB 3.43Å; S274-K367 PolarHBondContact OG-N 3.33Å
368	L	92.6	Very high	92.8	Very high	2 Å²	2	27.1 Å²	27.1	1%	0.01	13%	0.126	C	C	.	.			trans	-94.5	128.2	174.6	-58.9	178.2	0	0	0	111.4	L365 L402 L406 T417 Y419 R476	L365-L368 HydrophobicContact CB-CD2 4.41Å; L365-L368 HydrophobicContact CD1-CD2 3.72Å; L368-L402 HydrophobicContact CD1-CB 3.97Å; L368-L402 HydrophobicContact CD2-CD1 4.34Å; L368-L406 HydrophobicContact CD1-CD1 3.82Å; L368-L406 HydrophobicContact CD1-CD2 4.03Å; L368-L406 HydrophobicContact CD1-CG 4.18Å; L368-L406 HydrophobicContact CD2-CD2 3.96Å; L368-L406 HydrophobicContact CG-CD1 4.28Å; L368-L406 HydrophobicContact CG-CD2 3.63Å; L368-L406 HydrophobicContact CG-CG 4.34Å; L368-T417 HydrophobicContact CD1-CG2 4.21Å; L368-Y419 VanDerWaalsContact CB-OH 3.29Å; L368-Y419 WeakPolarHBondContact CB-OH 3.47Å; L368-Y419 HydrophobicContact CD1-CE2 4.07Å; L368-R476 PolarHBondContact O-NH1 3.21Å
369	P	94.1	Very high	93.1	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	13%	0.126	C	C	.	.			trans	-75.4	155.8	177.1	31.5	-34.8	0	0	0	112	F271 Y371 L372 Y419	F271-P369 VanDerWaalsContact C-CB 3.47Å; F271-P369 WeakPolarHBondContact O-CB 3.31Å; P369-Y371 WeakPolarHBondContact CB-O 3.33Å; P369-Y371 VanDerWaalsContact CG-O 3.26Å; P369-Y371 WeakPolarHBondContact CG-O 3.33Å; P369-Y371 PolarHBondContact O-N 3.19Å; P369-L372 HydrophobicContact CG-CB 4.3Å; P369-L372 HydrophobicContact CG-CD1 3.89Å; P369-Y419 PolarHBondContact O-OH 2.74Å
370	P	94.9	Very high	93.1	Very high	49 Å²	49	28.7 Å²	28.7	32%	0.318	14%	0.138	S	C	.	.	S	Bend	trans	-55.1	-34.3	173.8	-25.4	34.6	0	0	0	113.6	D269 V270 R476	D269-P370 WeakPolarHBondContact O-CD 3.34Å; V270-P370 WeakPolarHBondContact O-CD 3.2Å; P370-R476 WeakPolarHBondContact O-CB 3.12Å; P370-R476 PolarHBondContact O-N 3.37Å
371	Y	96.8	Very high	92.8	Very high	14 Å²	14	35.7 Å²	35.7	6%	0.055	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	126.1	171.8	-68.1	-100.9	0	0	0	109.8	V168 P169 P170 V270 P369 I422 I473 W474 K475	V168-Y371 HydrophobicContact CG1-CD1 3.77Å; V168-Y371 HydrophobicContact CG1-CD2 4.09Å; V168-Y371 HydrophobicContact CG1-CE1 3.91Å; V168-Y371 HydrophobicContact CG1-CE2 4.27Å; V168-Y371 HydrophobicContact CG1-CG 3.87Å; V168-Y371 HydrophobicContact CG2-CD1 4.31Å; P169-Y371 WeakPolarHBondContact CD-OH 3.3Å; P170-Y371 WeakPolarHBondContact CD-OH 3.46Å; P170-Y371 HydrophobicContact CG-CD2 4.45Å; P170-Y371 HydrophobicContact CG-CE2 3.58Å; V270-Y371 HydrophobicContact CG1-CD2 3.66Å; V270-Y371 HydrophobicContact CG1-CG 3.96Å; V270-Y371 PolarHBondContact O-N 3.13Å; P369-Y371 WeakPolarHBondContact CB-O 3.33Å; P369-Y371 VanDerWaalsContact CG-O 3.26Å; P369-Y371 WeakPolarHBondContact CG-O 3.33Å; P369-Y371 PolarHBondContact O-N 3.19Å; Y371-I422 HydrophobicContact CD1-CD1 3.84Å; Y371-I422 HydrophobicContact CE1-CD1 3.75Å; Y371-I473 HydrophobicContact CD1-CG2 4.34Å; Y371-W474 CarbonylContact C-O 3.05Å; Y371-W474 VanDerWaalsContact CA-O 3.24Å; Y371-W474 WeakPolarHBondContact CA-O 3.2Å; Y371-K475 HydrophobicContact CD1-CB 4.09Å; Y371-K475 HydrophobicContact CD1-CG 4.46Å; Y371-K475 HydrophobicContact CE1-CB 3.69Å; Y371-K475 HydrophobicContact CE1-CD 4.44Å; Y371-K475 HydrophobicContact CE1-CG 3.74Å
372	L	96.7	Very high	92.2	Very high	1 Å²	1	36 Å²	36	1%	0.005	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	131.5	-178.4	-175.5	62.5	0	0	0	110.3	F310 L313 P369 F374 L402 Y419 W474	F310-L372 HydrophobicContact CE2-CD1 3.72Å; F310-L372 HydrophobicContact CZ-CD1 4.36Å; L313-L372 HydrophobicContact CD1-CD1 3.94Å; L313-L372 HydrophobicContact CD1-CD2 4.4Å; L313-L372 HydrophobicContact CG-CD1 4.17Å; P369-L372 HydrophobicContact CG-CB 4.3Å; P369-L372 HydrophobicContact CG-CD1 3.89Å; L372-F374 HydrophobicContact CD2-CD1 4.38Å; L372-F374 HydrophobicContact CD2-CE1 3.42Å; L372-F374 VanDerWaalsContact CD2-CE1 3.42Å; L372-F374 HydrophobicContact CD2-CZ 3.48Å; L372-F374 VanDerWaalsContact CD2-CZ 3.48Å; L372-F374 HydrophobicContact CG-CD1 4.33Å; L372-F374 HydrophobicContact CG-CE1 3.83Å; L372-F374 HydrophobicContact CG-CZ 4.18Å; L372-L402 HydrophobicContact CD2-CD1 3.3Å; L372-Y419 HydrophobicContact CB-CD1 4.11Å; L372-Y419 HydrophobicContact CB-CE1 3.74Å; L372-W474 HydrophobicContact CB-CB 4.42Å; L372-W474 PolarHBondContact N-O 2.87Å; L372-W474 PolarHBondContact O-N 3.07Å
373	I	98.1	Very high	91.3	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	126.8	177	-57.5	179.4	0	0	0	109.2	L245 L249 F271 Y312 L313 I471 Q472 I473	L245-I373 HydrophobicContact CD1-CD1 4.49Å; L245-I373 HydrophobicContact CD2-CD1 4.33Å; L245-I373 HydrophobicContact CD2-CG2 3.84Å; L249-I373 HydrophobicContact CD1-CD1 3.98Å; F271-I373 HydrophobicContact CD1-CD1 3.61Å; F271-I373 HydrophobicContact CD1-CG1 3.76Å; F271-I373 HydrophobicContact CE1-CD1 3.7Å; F271-I373 HydrophobicContact CE1-CG1 3.93Å; F271-I373 HydrophobicContact CG-CD1 4.19Å; F271-I373 HydrophobicContact CZ-CD1 4.36Å; Y312-I373 CarbonylContact C-O 3.32Å; Y312-I373 WeakPolarHBondContact CA-O 3.49Å; L313-I373 PolarHBondContact N-O 3.35Å; I373-I471 HydrophobicContact CG2-CG2 3.96Å; I373-Q472 CarbonylContact C-O 3.56Å; I373-Q472 VanDerWaalsContact CA-O 3.27Å; I373-Q472 WeakPolarHBondContact CA-O 3.3Å; I373-I473 HydrophobicContact CG1-CG1 4.29Å
374	F	97.6	Very high	90.2	Very high	1 Å²	1	48.6 Å²	48.6	0%	0.004	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	131.8	167	-62.4	-39.3	0	0	0	110.4	L313 L315 L337 L341 L372 L402 I471 Q472 W474	L313-F374 HydrophobicContact CB-CD1 4.03Å; L313-F374 HydrophobicContact CB-CE1 4.35Å; L313-F374 HydrophobicContact CD1-CE1 4Å; L313-F374 WeakPolarHBondContact O-CA 3.47Å; L315-F374 HydrophobicContact CD1-CB 3.83Å; L315-F374 HydrophobicContact CD1-CD1 4.21Å; L315-F374 HydrophobicContact CD1-CD2 4.21Å; L315-F374 HydrophobicContact CD1-CG 3.86Å; L315-F374 HydrophobicContact CD2-CD1 4.16Å; L315-F374 HydrophobicContact CG-CB 4.21Å; L315-F374 HydrophobicContact CG-CD1 4.39Å; L315-F374 HydrophobicContact CG-CG 4.39Å; L337-F374 HydrophobicContact CD1-CD2 4.44Å; L337-F374 HydrophobicContact CD2-CE2 4.41Å; L341-F374 HydrophobicContact CD1-CZ 4.39Å; L341-F374 HydrophobicContact CD2-CD1 4.47Å; L341-F374 HydrophobicContact CD2-CE1 3.72Å; L341-F374 HydrophobicContact CD2-CE2 4.4Å; L341-F374 HydrophobicContact CD2-CZ 3.71Å; L372-F374 HydrophobicContact CD2-CD1 4.38Å; L372-F374 HydrophobicContact CD2-CE1 3.42Å; L372-F374 VanDerWaalsContact CD2-CE1 3.42Å; L372-F374 HydrophobicContact CD2-CZ 3.48Å; L372-F374 VanDerWaalsContact CD2-CZ 3.48Å; L372-F374 HydrophobicContact CG-CD1 4.33Å; L372-F374 HydrophobicContact CG-CE1 3.83Å; L372-F374 HydrophobicContact CG-CZ 4.18Å; F374-L402 HydrophobicContact CZ-CD1 4.45Å; F374-L402 HydrophobicContact CZ-CD2 4.49Å; F374-I471 CarbonylContact O-C 3.5Å; F374-I471 WeakPolarHBondContact O-CA 3.4Å; F374-Q472 HydrophobicContact CB-CB 4.34Å; F374-Q472 PolarHBondContact N-O 3.49Å; F374-Q472 PolarHBondContact O-N 2.88Å; F374-W474 AromaticContact CD2-CD1 3.49Å; F374-W474 VanDerWaalsContact CD2-CD1 3.49Å; F374-W474 AromaticContact CD2-CE2 3.91Å; F374-W474 HydrophobicContact CD2-CG 4.46Å; F374-W474 AromaticContact CD2-NE1 3.09Å; F374-W474 AromaticContact CE2-CD1 3.68Å; F374-W474 HydrophobicContact CE2-CD2 4.37Å; F374-W474 AromaticContact CE2-CE2 3.9Å; F374-W474 HydrophobicContact CE2-CG 4.25Å; F374-W474 AromaticContact CE2-NE1 3.46Å
375	C	97.3	Very high	89.5	Confident	2 Å²	2	52.6 Å²	52.6	1%	0.014	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	112.6	171.4	-62.5	0	0	0	0	108.2	V242 Y312 L313 T314 L315	V242-C375 HydrophobicContact CG1-CB 4.12Å; V242-C375 HydrophobicContact CG2-CB 3.89Å; Y312-C375 HydrophobicContact CD2-CB 4.19Å; L313-C375 PolarHBondContact O-N 3.08Å; T314-C375 CarbonylContact C-O 3.49Å; T314-C375 WeakPolarHBondContact CA-O 3.39Å; L315-C375 PolarHBondContact N-O 3.03Å
376	I	95.7	Very high	89.1	Confident	1 Å²	1	55.5 Å²	55.5	1%	0.005	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	117.3	-179	-63.4	164.2	0	0	0	108.3	L315 L317 R378 V393 A469 Y470	L315-I376 HydrophobicContact CB-CG1 4.46Å; L315-I376 HydrophobicContact CD1-CG1 4.28Å; L317-I376 HydrophobicContact CD1-CG2 3.66Å; L317-I376 HydrophobicContact CD2-CG2 3.73Å; L317-I376 HydrophobicContact CG-CG2 3.65Å; I376-R378 HydrophobicContact CG2-CG 3.99Å; I376-R378 PolarHBondContact O-N 3.15Å; I376-V393 HydrophobicContact CD1-CB 4.38Å; I376-V393 HydrophobicContact CD1-CG2 4.03Å; I376-V393 HydrophobicContact CG2-CG2 4.31Å; I376-A469 HydrophobicContact CD1-CB 3.85Å; I376-A469 WeakPolarHBondContact CD1-O 3.16Å; I376-Y470 PolarHBondContact N-O 3.05Å; I376-Y470 VanDerWaalsContact O-CD2 3.31Å; I376-Y470 WeakPolarHBondContact O-CD2 3.37Å; I376-Y470 WeakPolarHBondContact O-CE2 3.27Å
377	K	92.1	Very high	88.8	Confident	107 Å²	107	59.5 Å²	59.5	47%	0.465	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	85.1	-175.8	-169.3	-179.7	179.2	-177.7	0	110.9	T314 L315	T314-K377 HydrophobicContact CG2-CB 3.99Å; T314-K377 HydrophobicContact CG2-CD 4.47Å; L315-K377 WeakPolarHBondContact O-CB 2.91Å; L315-K377 PolarHBondContact O-N 3.31Å
378	R	91.2	Very high	88.7	Confident	1 Å²	1	56.8 Å²	56.8	0%	0.004	28%	0.276	C	S	.	.			trans	-86.8	-27.8	179.5	-66.3	-173.2	176.2	-76.1	-4.8	114	L317 I376 K388 N389 T391 E468 A469 Y470	L317-R378 HydrophobicContact CD1-CG 3.84Å; I376-R378 HydrophobicContact CG2-CG 3.99Å; I376-R378 PolarHBondContact O-N 3.15Å; R378-K388 CarbonylContact O-C 3.57Å; R378-K388 WeakPolarHBondContact O-CA 3.32Å; R378-N389 PolarHBondContact NH1-O 3.37Å; R378-N389 VanDerWaalsContact NH1-O 3.09Å; R378-N389 PolarHBondContact O-N 3.21Å; R378-T391 PolarHBondContact NH1-O 3.35Å; R378-T391 PolarHBondContact NH2-O 3.35Å; R378-E468 PolarHBondContact NE-O 2.98Å; R378-A469 PolarHBondContact NE-O 2.82Å; R378-A469 PolarHBondContact NH2-O 3.28Å; R378-Y470 HydrophobicContact CB-CD2 4.39Å; R378-Y470 HydrophobicContact CB-CE2 4.47Å; R378-Y470 HydrophobicContact CG-CD2 4.23Å
379	F	90.2	Very high	88.5	Confident	33 Å²	33	57.8 Å²	57.8	15%	0.145	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	127.4	-174.6	-56.7	-73.9	0	0	0	111.4	V386 E387 K388 H427 P431 Y470	F379-V386 HydrophobicContact CB-CG1 4.1Å; F379-V386 HydrophobicContact CD1-CG1 4.2Å; F379-E387 WeakPolarHBondContact CA-O 3.31Å; F379-K388 HydrophobicContact CD1-CB 4.21Å; F379-K388 HydrophobicContact CD1-CG 4.23Å; F379-K388 HydrophobicContact CE1-CB 4.02Å; F379-K388 HydrophobicContact CE1-CD 4.06Å; F379-K388 HydrophobicContact CE1-CG 3.73Å; F379-K388 HydrophobicContact CZ-CD 4.49Å; F379-K388 HydrophobicContact CZ-CG 4.36Å; F379-H427 AromaticContact CZ-CD2 3.67Å; F379-H427 AromaticContact CZ-CE1 3.73Å; F379-H427 AromaticContact CZ-CG 3.75Å; F379-H427 AromaticContact CZ-ND1 3.78Å; F379-H427 AromaticContact CZ-NE2 3.63Å; F379-P431 HydrophobicContact CD1-CB 4.02Å; F379-P431 HydrophobicContact CD1-CG 4.01Å; F379-P431 HydrophobicContact CE1-CB 4.02Å; F379-P431 HydrophobicContact CE1-CG 4.03Å; F379-Y470 AromaticContact CD2-CE2 3.88Å; F379-Y470 HydrophobicContact CD2-CE2 3.88Å; F379-Y470 AromaticContact CD2-CZ 3.85Å; F379-Y470 HydrophobicContact CE2-CD2 4.32Å; F379-Y470 HydrophobicContact CE2-CE1 4.21Å; F379-Y470 AromaticContact CE2-CE2 3.73Å; F379-Y470 HydrophobicContact CE2-CE2 3.73Å; F379-Y470 AromaticContact CE2-CZ 3.65Å
380	T	85.1	Confident	88.3	Confident	70 Å²	70	59.9 Å²	59.9	43%	0.429	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	126.6	170.9	-56.5	0	0	0	0	108.8	V386 E387	T380-V386 WeakPolarHBondContact O-CA 3.45Å; T380-E387 PolarHBondContact N-O 3.28Å; T380-E387 PolarHBondContact O-N 3.4Å
381	K	80.6	Confident	88.1	Confident	181 Å²	181	57.6 Å²	57.6	79%	0.787	28%	0.28	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92	113.5	177.9	-174.8	175.7	-179.1	-177.9	0	109.1	V386	K381-V386 HydrophobicContact CB-CG2 4.35Å; K381-V386 HydrophobicContact CG-CG2 4.17Å
382	N	76.8	Confident	87.8	Confident	69 Å²	69	57.6 Å²	57.6	37%	0.369	28%	0.281	S	S	.	.			trans	-90.9	174.2	168	-67.5	-16.5	0	0	0	109.6	F384 F385	N382-F384 PolarHBondContact O-N 3.04Å; N382-F384 VanDerWaalsContact O-N 3.09Å; N382-F385 PolarHBondContact N-O 3.02Å
383	N	74.3	Confident	87.7	Confident	159 Å²	159	57.5 Å²	57.5	85%	0.85	28%	0.281	S	S	*	.	S	Bend	trans	-58.5	-25	-178.1	-72.3	-12.6	0	0	0	113.7
384	F	71.4	Confident	87.5	Confident	191 Å²	191	60.1 Å²	60.1	84%	0.838	30%	0.295	S	S	*	.	S	Bend	trans	-116.9	-31.9	-171.7	-58.3	-76.2	0	0	0	114.3	N382	N382-F384 PolarHBondContact O-N 3.04Å; N382-F384 VanDerWaalsContact O-N 3.09Å
385	F	78.6	Confident	87.3	Confident	119 Å²	119	60.6 Å²	60.6	52%	0.522	30%	0.297	S	S	.	.			trans	-149.2	160.8	-177.2	57.4	-89.8	0	0	0	111.4	N382 E387	N382-F385 PolarHBondContact N-O 3.02Å; F385-E387 HydrophobicContact CD2-CB 4.25Å; F385-E387 HydrophobicContact CE2-CB 4.06Å; F385-E387 HydrophobicContact CE2-CG 4.47Å
386	V	83.6	Confident	87.1	Confident	64 Å²	64	63.1 Å²	63.1	39%	0.388	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	129.2	168	-178.8	0	0	0	0	107.5	F379 T380 K381 P431	F379-V386 HydrophobicContact CB-CG1 4.1Å; F379-V386 HydrophobicContact CD1-CG1 4.2Å; T380-V386 WeakPolarHBondContact O-CA 3.45Å; K381-V386 HydrophobicContact CB-CG2 4.35Å; K381-V386 HydrophobicContact CG-CG2 4.17Å; V386-P431 HydrophobicContact CB-CB 4.01Å; V386-P431 HydrophobicContact CB-CG 4.36Å; V386-P431 HydrophobicContact CG1-CB 3.76Å; V386-P431 HydrophobicContact CG1-CG 4.06Å
387	E	86.1	Confident	87	Confident	97 Å²	97	64.2 Å²	64.2	45%	0.453	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	137.7	177.3	-168.6	173	-174.7	0	0	110	F379 T380 F385	F379-E387 WeakPolarHBondContact CA-O 3.31Å; T380-E387 PolarHBondContact N-O 3.28Å; T380-E387 PolarHBondContact O-N 3.4Å; F385-E387 HydrophobicContact CD2-CB 4.25Å; F385-E387 HydrophobicContact CE2-CB 4.06Å; F385-E387 HydrophobicContact CE2-CG 4.47Å
388	K	89.2	Confident	87	Confident	31 Å²	31	62.4 Å²	62.4	14%	0.135	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	129.6	174.3	-170.8	-175.6	-175.1	-161.3	0	109.3	R378 F379 P390 H427 G429 P431 E468	R378-K388 CarbonylContact O-C 3.57Å; R378-K388 WeakPolarHBondContact O-CA 3.32Å; F379-K388 HydrophobicContact CD1-CB 4.21Å; F379-K388 HydrophobicContact CD1-CG 4.23Å; F379-K388 HydrophobicContact CE1-CB 4.02Å; F379-K388 HydrophobicContact CE1-CD 4.06Å; F379-K388 HydrophobicContact CE1-CG 3.73Å; F379-K388 HydrophobicContact CZ-CD 4.49Å; F379-K388 HydrophobicContact CZ-CG 4.36Å; K388-P390 WeakPolarHBondContact O-CD 3.15Å; K388-H427 VanDerWaalsContact CE-ND1 3.34Å; K388-H427 WeakPolarHBondContact CE-ND1 3.25Å; K388-H427 PolarHBondContact NZ-ND1 2.89Å; K388-H427 PolarHBondContact NZ-O 3.04Å; K388-G429 WeakPolarHBondContact CD-O 3.28Å; K388-G429 PolarHBondContact NZ-O 3.34Å; K388-P431 HydrophobicContact CB-CG 3.91Å; K388-E468 WeakPolarHBondContact CE-OE2 3.19Å; K388-E468 IonicContact NZ-OE2 3.64Å; K388-E468 PolarHBondContact NZ-OE2 3.4Å
389	N	89.3	Confident	87.1	Confident	23 Å²	23	66.7 Å²	66.7	12%	0.123	34%	0.34	C	S	.	.			trans	-85.9	113	170.4	-170.9	-28.7	0	0	0	110	L317 P318 R378 T391	L317-N389 WeakPolarHBondContact CB-ND2 3.47Å; L317-N389 HydrophobicContact CD1-CB 4Å; P318-N389 PolarHBondContact O-ND2 3.28Å; R378-N389 PolarHBondContact NH1-O 3.37Å; R378-N389 VanDerWaalsContact NH1-O 3.09Å; R378-N389 PolarHBondContact O-N 3.21Å; N389-T391 VanDerWaalsContact C-N 3.27Å; N389-T391 PolarHBondContact O-N 2.67Å; N389-T391 VanDerWaalsContact OD1-CB 3.25Å; N389-T391 WeakPolarHBondContact OD1-CB 3.29Å; N389-T391 PolarHBondContact OD1-N 2.82Å; N389-T391 PolarHBondContact OD1-OG1 2.85Å
390	P	88.8	Confident	87.2	Confident	44 Å²	44	65.1 Å²	65.1	29%	0.286	33%	0.333	S	S	.	.			trans	-82.2	1.9	-176.7	35.5	-36.7	0	0	0	113.5	I332 K388 I392	I332-P390 HydrophobicContact CG2-CB 4.36Å; I332-P390 WeakPolarHBondContact CG2-O 3.32Å; K388-P390 WeakPolarHBondContact O-CD 3.15Å; P390-I392 PolarHBondContact O-N 2.81Å
391	T	90.8	Very high	87.5	Confident	1 Å²	1	64.9 Å²	64.9	1%	0.006	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-51.7	125	-175.9	-56.4	0	0	0	0	111.9	P333 V335 R378 N389	P333-T391 HydrophobicContact CB-CG2 4.3Å; P333-T391 HydrophobicContact CG-CG2 4.22Å; P333-T391 WeakPolarHBondContact CG-OG1 3.45Å; P333-T391 CarbonylContact O-C 3.56Å; P333-T391 VanDerWaalsContact O-CA 3.3Å; P333-T391 WeakPolarHBondContact O-CA 3.34Å; P333-T391 WeakPolarHBondContact O-CG2 3.49Å; V335-T391 HydrophobicContact CB-CG2 4.08Å; V335-T391 HydrophobicContact CG1-CG2 3.68Å; R378-T391 PolarHBondContact NH1-O 3.35Å; R378-T391 PolarHBondContact NH2-O 3.35Å; N389-T391 VanDerWaalsContact C-N 3.27Å; N389-T391 PolarHBondContact O-N 2.67Å; N389-T391 VanDerWaalsContact OD1-CB 3.25Å; N389-T391 WeakPolarHBondContact OD1-CB 3.29Å; N389-T391 PolarHBondContact OD1-N 2.82Å; N389-T391 PolarHBondContact OD1-OG1 2.85Å
392	I	91.5	Very high	88.1	Confident	14 Å²	14	56.4 Å²	56.4	7%	0.072	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	131.9	174.4	-58.3	-55.9	0	0	0	109	I332 P333 Q334 V335 P390 T465 E468	I332-I392 HydrophobicContact CG2-CD1 4.29Å; I332-I392 HydrophobicContact CG2-CG1 3.74Å; P333-I392 PolarHBondContact O-N 3.23Å; Q334-I392 CarbonylContact C-O 3.58Å; Q334-I392 VanDerWaalsContact CA-O 3.29Å; Q334-I392 WeakPolarHBondContact CA-O 3.35Å; Q334-I392 HydrophobicContact CG-CB 4.29Å; V335-I392 PolarHBondContact N-O 2.97Å; P390-I392 PolarHBondContact O-N 2.81Å; I392-T465 WeakPolarHBondContact CG2-O 3.42Å; I392-E468 HydrophobicContact CD1-CG 3.69Å
393	V	93.7	Very high	88.7	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	119	175.9	-177	0	0	0	0	107.9	L317 V335 L337 I340 I376 F395	L317-V393 HydrophobicContact CD2-CG2 3.6Å; V335-V393 HydrophobicContact CG1-CG2 4.05Å; V335-V393 CarbonylContact O-C 3.02Å; V335-V393 VanDerWaalsContact O-CA 3.29Å; V335-V393 WeakPolarHBondContact O-CA 3.44Å; L337-V393 HydrophobicContact CB-CG1 4.06Å; L337-V393 HydrophobicContact CD1-CG1 4.31Å; I340-V393 HydrophobicContact CD1-CG1 3.68Å; I340-V393 HydrophobicContact CD1-CG2 4.07Å; I376-V393 HydrophobicContact CD1-CB 4.38Å; I376-V393 HydrophobicContact CD1-CG2 4.03Å; I376-V393 HydrophobicContact CG2-CG2 4.31Å; V393-F395 HydrophobicContact CB-CD1 4.39Å; V393-F395 HydrophobicContact CG1-CD1 4.19Å; V393-F395 WeakPolarHBondContact O-CD1 3.39Å; V393-F395 WeakPolarHBondContact O-CE1 3.5Å
394	N	93.1	Very high	89.4	Confident	55 Å²	55	58.8 Å²	58.8	29%	0.294	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	120.4	177.5	-66.7	-18.5	0	0	0	109.4	Q334 V335 L337	Q334-N394 PolarHBondContact OE1-ND2 3.31Å; V335-N394 PolarHBondContact O-N 2.94Å; L337-N394 PolarHBondContact N-O 2.8Å
395	F	94	Very high	90.2	Very high	10 Å²	10	50.4 Å²	50.4	4%	0.044	25%	0.254	C	S	.	.			trans	-139.3	142.8	-179.6	49.1	-90.4	0	0	0	111.3	L337 V393 L421 I464 T465 A469 W474	L337-F395 HydrophobicContact CB-CB 3.83Å; L337-F395 HydrophobicContact CD2-CB 3.66Å; L337-F395 HydrophobicContact CG-CB 4.32Å; V393-F395 HydrophobicContact CB-CD1 4.39Å; V393-F395 HydrophobicContact CG1-CD1 4.19Å; V393-F395 WeakPolarHBondContact O-CD1 3.39Å; V393-F395 WeakPolarHBondContact O-CE1 3.5Å; F395-L421 HydrophobicContact CD2-CD2 4.39Å; F395-L421 HydrophobicContact CE2-CD2 3.77Å; F395-I464 HydrophobicContact CE2-CG2 4.37Å; F395-I464 HydrophobicContact CZ-CG2 4.4Å; F395-T465 HydrophobicContact CD2-CG2 4.26Å; F395-T465 HydrophobicContact CE2-CG2 4.06Å; F395-T465 HydrophobicContact CZ-CG2 4.43Å; F395-T465 VanDerWaalsContact O-CG2 3.23Å; F395-T465 WeakPolarHBondContact O-CG2 3.43Å; F395-A469 HydrophobicContact CE1-CB 4.02Å; F395-A469 HydrophobicContact CZ-CB 4.36Å; F395-W474 HydrophobicContact CB-CH2 4.36Å; F395-W474 HydrophobicContact CD2-CH2 4.07Å; F395-W474 HydrophobicContact CD2-CZ2 4.22Å; F395-W474 HydrophobicContact CG-CZ2 4.47Å
396	P	93.7	Very high	90.7	Very high	55 Å²	55	44.9 Å²	44.9	36%	0.357	23%	0.229	S	C	.	.			trans	-73.3	138.8	166.5	30.2	-29.2	0	0	0	109.4	F338 T398 V400 W474	F338-P396 HydrophobicContact CE2-CG 4.3Å; F338-P396 HydrophobicContact CZ-CG 4.06Å; P396-T398 VanDerWaalsContact C-N 3.3Å; P396-T398 PolarHBondContact O-N 2.87Å; P396-V400 HydrophobicContact CG-CG2 3.68Å; P396-V400 WeakPolarHBondContact O-CG2 3.44Å; P396-W474 WeakPolarHBondContact O-CH2 3.3Å; P396-W474 WeakPolarHBondContact O-CZ3 3.08Å
397	I	93.1	Very high	90.7	Very high	25 Å²	25	42 Å²	42	13%	0.128	21%	0.212	C	C	.	.	S	Bend	trans	-75.7	-22.8	-175.1	-62.4	167.5	0	0	0	111.6	L421 W448 P461 I464 T465	I397-L421 HydrophobicContact CG2-CB 4.08Å; I397-L421 HydrophobicContact CG2-CD2 4.24Å; I397-L421 VanDerWaalsContact O-CB 3.3Å; I397-L421 WeakPolarHBondContact O-CB 3.43Å; I397-L421 PolarHBondContact O-N 3.47Å; I397-W448 HydrophobicContact CG2-CZ2 3.6Å; I397-P461 HydrophobicContact CD1-CB 3.51Å; I397-P461 WeakPolarHBondContact CD1-O 3.08Å; I397-I464 HydrophobicContact CD1-CB 4.45Å; I397-I464 HydrophobicContact CD1-CD1 4.49Å; I397-T465 HydrophobicContact CD1-CG2 4.19Å; I397-T465 HydrophobicContact CG1-CG2 4.09Å
398	T	92.8	Very high	90.5	Very high	69 Å²	69	45.4 Å²	45.4	42%	0.423	23%	0.228	S	C	.	.	S	Bend	trans	-133.8	159.7	179.9	55.8	0	0	0	0	110.5	P396 V400 D420	P396-T398 VanDerWaalsContact C-N 3.3Å; P396-T398 PolarHBondContact O-N 2.87Å; T398-V400 PolarHBondContact O-N 2.87Å; T398-D420 WeakPolarHBondContact CA-OD1 3.39Å; T398-D420 VanDerWaalsContact CB-OD1 3.26Å; T398-D420 WeakPolarHBondContact CB-OD1 3.2Å; T398-D420 HydrophobicContact CG2-CB 4.37Å
399	N	91.7	Very high	90.2	Very high	90 Å²	90	49.9 Å²	49.9	48%	0.481	25%	0.25	S	C	.	.			trans	59.3	38.2	176	-51.8	-58.6	0	0	0	114.5	D401 Y419 D420 R477	N399-D401 PolarHBondContact O-N 3.21Å; N399-Y419 PolarHBondContact N-O 3.38Å; N399-D420 PolarHBondContact N-OD1 2.85Å; N399-R477 PolarHBondContact OD1-NH1 3.24Å
400	V	93.2	Very high	89.9	Confident	1 Å²	1	49.7 Å²	49.7	1%	0.006	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	110.2	169.5	173.7	0	0	0	0	108.8	F338 P396 T398 L402 T418 Y419 W474	F338-V400 HydrophobicContact CE1-CG1 4.43Å; P396-V400 HydrophobicContact CG-CG2 3.68Å; P396-V400 WeakPolarHBondContact O-CG2 3.44Å; T398-V400 PolarHBondContact O-N 2.87Å; V400-L402 HydrophobicContact CG1-CD2 4.05Å; V400-L402 HydrophobicContact CG1-CG 4.48Å; V400-T418 CarbonylContact O-C 3.19Å; V400-T418 WeakPolarHBondContact O-CA 3.38Å; V400-Y419 PolarHBondContact N-O 3.41Å; V400-Y419 PolarHBondContact O-N 2.95Å; V400-W474 HydrophobicContact CB-CE3 4.41Å; V400-W474 HydrophobicContact CB-CZ3 4.03Å; V400-W474 HydrophobicContact CG2-CE3 4.22Å; V400-W474 HydrophobicContact CG2-CH2 3.68Å; V400-W474 HydrophobicContact CG2-CZ3 3.39Å
401	D	92.3	Very high	89.6	Confident	64 Å²	64	50.1 Å²	50.1	34%	0.342	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	131	174.4	-167.3	9.3	0	0	0	111.2	N399 R403 T417 T418	N399-D401 PolarHBondContact O-N 3.21Å; D401-R403 WeakPolarHBondContact OD1-CB 3.49Å; D401-R403 PolarHBondContact OD1-N 2.8Å; D401-T417 VanDerWaalsContact OD1-CB 3.23Å; D401-T417 WeakPolarHBondContact OD1-CB 3.31Å; D401-T417 PolarHBondContact OD1-OG1 3.49Å; D401-T418 HydrophobicContact CB-CG2 4.23Å
402	L	91.9	Very high	88.8	Confident	3 Å²	3	54.3 Å²	54.3	2%	0.016	28%	0.282	C	S	.	.			trans	-108.1	8.2	176.6	-61.3	178.7	0	0	0	113.2	L341 L368 L372 F374 V400 E404 Y405 T417 Y419	L341-L402 HydrophobicContact CD1-CD2 3.83Å; L368-L402 HydrophobicContact CD1-CB 3.97Å; L368-L402 HydrophobicContact CD2-CD1 4.34Å; L372-L402 HydrophobicContact CD2-CD1 3.3Å; F374-L402 HydrophobicContact CZ-CD1 4.45Å; F374-L402 HydrophobicContact CZ-CD2 4.49Å; V400-L402 HydrophobicContact CG1-CD2 4.05Å; V400-L402 HydrophobicContact CG1-CG 4.48Å; L402-E404 VanDerWaalsContact C-N 3.28Å; L402-E404 PolarHBondContact O-N 3.28Å; L402-Y405 HydrophobicContact CB-CD2 4.06Å; L402-Y405 HydrophobicContact CD2-CD2 3.72Å; L402-Y405 HydrophobicContact CD2-CE2 3.72Å; L402-Y405 PolarHBondContact O-N 3.4Å; L402-Y405 VanDerWaalsContact O-N 3.13Å; L402-T417 PolarHBondContact N-O 3.15Å; L402-Y419 HydrophobicContact CD1-CD2 3.7Å; L402-Y419 HydrophobicContact CD1-CE2 3.84Å; L402-Y419 HydrophobicContact CD1-CG 4.36Å; L402-Y419 HydrophobicContact CG-CD2 4.14Å
403	R	89.9	Confident	88.2	Confident	122 Å²	122	59 Å²	59	46%	0.46	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-54.6	-42.4	-176.7	-171	172.7	-173.6	170.2	4.5	113.3	D401 Y405 L406 Q411 T417	D401-R403 WeakPolarHBondContact OD1-CB 3.49Å; D401-R403 PolarHBondContact OD1-N 2.8Å; R403-Y405 PolarHBondContact O-N 2.84Å; R403-Y405 VanDerWaalsContact O-N 3.16Å; R403-L406 WeakPolarHBondContact O-CB 3.32Å; R403-L406 PolarHBondContact O-N 3.09Å; R403-L406 VanDerWaalsContact O-N 3.11Å; R403-Q411 HydrophobicContact CG-CG 4.16Å; R403-Q411 PolarHBondContact O-NE2 3.11Å; R403-T417 HydrophobicContact CB-CG2 4.21Å; R403-T417 HydrophobicContact CG-CG2 4.47Å
404	E	88.4	Confident	87.4	Confident	157 Å²	157	61.4 Å²	61.4	73%	0.734	32%	0.322	S	S	*	.	G	3₁₀ helix	trans	-65	-17.4	-177.2	-61.1	-175.7	171.8	0	0	113.6	L402	L402-E404 VanDerWaalsContact C-N 3.28Å; L402-E404 PolarHBondContact O-N 3.28Å
405	Y	88.9	Confident	86.6	Confident	14 Å²	14	67.6 Å²	67.6	6%	0.055	35%	0.347	C	S	.	.	G	3₁₀ helix	trans	-92.7	-5.6	179	-49.4	-70.6	0	0	0	113.2	F338 L341 F344 N345 L365 L402 R403	F338-Y405 PolarHBondContact O-OH 2.86Å; L341-Y405 HydrophobicContact CB-CE1 3.86Å; L341-Y405 HydrophobicContact CB-CE2 4.11Å; L341-Y405 HydrophobicContact CD1-CE2 4.11Å; L341-Y405 WeakPolarHBondContact O-CE1 3.35Å; F344-Y405 VanDerWaalsContact O-O 3.09Å; N345-Y405 HydrophobicContact CB-CD1 4.01Å; L365-Y405 WeakPolarHBondContact CB-O 3.23Å; L365-Y405 PolarHBondContact N-O 3.21Å; L365-Y405 VanDerWaalsContact N-O 3.16Å; L402-Y405 HydrophobicContact CB-CD2 4.06Å; L402-Y405 HydrophobicContact CD2-CD2 3.72Å; L402-Y405 HydrophobicContact CD2-CE2 3.72Å; L402-Y405 PolarHBondContact O-N 3.4Å; L402-Y405 VanDerWaalsContact O-N 3.13Å; R403-Y405 PolarHBondContact O-N 2.84Å; R403-Y405 VanDerWaalsContact O-N 3.16Å
406	L	88.6	Confident	86.1	Confident	3 Å²	3	68.5 Å²	68.5	2%	0.016	35%	0.352	C	S	.	.	B	Isolated β-bridge	trans	-86.9	151.3	177.7	-64.2	170.6	0	0	0	111.3	L365 L368 R403 V410 Q411 H414 T417	L365-L406 HydrophobicContact CB-CD2 3.77Å; L365-L406 WeakPolarHBondContact O-CA 3.41Å; L368-L406 HydrophobicContact CD1-CD1 3.82Å; L368-L406 HydrophobicContact CD1-CD2 4.03Å; L368-L406 HydrophobicContact CD1-CG 4.18Å; L368-L406 HydrophobicContact CD2-CD2 3.96Å; L368-L406 HydrophobicContact CG-CD1 4.28Å; L368-L406 HydrophobicContact CG-CD2 3.63Å; L368-L406 HydrophobicContact CG-CG 4.34Å; R403-L406 WeakPolarHBondContact O-CB 3.32Å; R403-L406 PolarHBondContact O-N 3.09Å; R403-L406 VanDerWaalsContact O-N 3.11Å; L406-V410 HydrophobicContact CB-CB 4.4Å; L406-V410 HydrophobicContact CB-CG1 4.17Å; L406-V410 HydrophobicContact CD1-CG1 4.15Å; L406-V410 HydrophobicContact CD2-CG1 3.91Å; L406-V410 HydrophobicContact CG-CG1 4.3Å; L406-Q411 HydrophobicContact CB-CG 3.78Å; L406-Q411 PolarHBondContact O-NE2 2.74Å; L406-H414 HydrophobicContact CD1-CB 4.29Å; L406-T417 HydrophobicContact CD1-CG2 3.64Å
407	S	83.6	Confident	86	Confident	4 Å²	4	66.3 Å²	66.3	3%	0.028	34%	0.338	C	S	.	.			trans	-63.1	149.7	168.9	63.9	0	0	0	0	111.6	L365 E409 V410 Q411	L365-S407 PolarHBondContact O-N 3.44Å; S407-E409 PolarHBondContact O-N 3.21Å; S407-V410 WeakPolarHBondContact O-CA 3.3Å; S407-V410 WeakPolarHBondContact O-CB 3.33Å; S407-V410 PolarHBondContact O-N 3.42Å; S407-V410 WeakPolarHBondContact OG-CG2 3.43Å; S407-Q411 WeakPolarHBondContact O-CG 3.5Å; S407-Q411 PolarHBondContact O-N 3.12Å
408	E	82.3	Confident	86	Confident	169 Å²	169	66.9 Å²	66.9	79%	0.79	34%	0.342	S	S	*	.	H	α-helix	trans	-54	-40.9	-178.2	-65	-179.7	176.8	0	0	112.6	V410 Q411 A412	E408-V410 VanDerWaalsContact C-N 3.25Å; E408-V410 PolarHBondContact O-N 3.06Å; E408-Q411 PolarHBondContact O-N 3.37Å; E408-A412 PolarHBondContact O-N 2.93Å
409	E	82.8	Confident	86.2	Confident	124 Å²	124	63.6 Å²	63.6	58%	0.579	32%	0.322	S	S	*	.	H	α-helix	trans	-54.3	-42.2	174.2	-59.8	169.3	168.2	0	0	112.1	R276 S407	R276-E409 IonicContact CZ-OE2 3.65Å; R276-E409 IonicContact NH1-OE2 3.15Å; R276-E409 PolarHBondContact NH1-OE2 3.34Å; R276-E409 VanDerWaalsContact NH1-OE2 3.09Å; R276-E409 IonicContact NH2-OE2 3.98Å; R276-E409 PolarHBondContact NH2-OE2 3.23Å; S407-E409 PolarHBondContact O-N 3.21Å
410	V	82.6	Confident	86.4	Confident	19 Å²	19	60.5 Å²	60.5	12%	0.115	31%	0.305	C	S	.	.	H	α-helix	trans	-82.4	-35	-175.1	173.7	0	0	0	0	110.3	T366 L406 S407 E408 A412 V413 H414	T366-V410 WeakPolarHBondContact O-CG1 3.24Å; T366-V410 VanDerWaalsContact O-CG2 3.32Å; T366-V410 WeakPolarHBondContact O-CG2 3.46Å; L406-V410 HydrophobicContact CB-CB 4.4Å; L406-V410 HydrophobicContact CB-CG1 4.17Å; L406-V410 HydrophobicContact CD1-CG1 4.15Å; L406-V410 HydrophobicContact CD2-CG1 3.91Å; L406-V410 HydrophobicContact CG-CG1 4.3Å; S407-V410 WeakPolarHBondContact O-CA 3.3Å; S407-V410 WeakPolarHBondContact O-CB 3.33Å; S407-V410 PolarHBondContact O-N 3.42Å; S407-V410 WeakPolarHBondContact OG-CG2 3.43Å; E408-V410 VanDerWaalsContact C-N 3.25Å; E408-V410 PolarHBondContact O-N 3.06Å; V410-A412 PolarHBondContact O-N 2.87Å; V410-V413 PolarHBondContact O-N 3.08Å; V410-H414 HydrophobicContact CG1-CB 4.48Å; V410-H414 WeakPolarHBondContact CG1-CD2 3.34Å; V410-H414 WeakPolarHBondContact O-CB 3.26Å; V410-H414 PolarHBondContact O-N 3.49Å
411	Q	82.6	Confident	86.6	Confident	53 Å²	53	60.5 Å²	60.5	25%	0.248	31%	0.306	C	S	.	.	H	α-helix	trans	-59.6	-30.8	174.4	-68.8	-179	30.5	0	0	112.7	R403 L406 S407 E408 V413	R403-Q411 HydrophobicContact CG-CG 4.16Å; R403-Q411 PolarHBondContact O-NE2 3.11Å; L406-Q411 HydrophobicContact CB-CG 3.78Å; L406-Q411 PolarHBondContact O-NE2 2.74Å; S407-Q411 WeakPolarHBondContact O-CG 3.5Å; S407-Q411 PolarHBondContact O-N 3.12Å; E408-Q411 PolarHBondContact O-N 3.37Å; Q411-V413 VanDerWaalsContact C-N 3.33Å
412	A	74.4	Confident	86.8	Confident	90 Å²	90	57.6 Å²	57.6	74%	0.744	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-27.1	176.4	0	0	0	0	0	113	E408 V410	E408-A412 PolarHBondContact O-N 2.93Å; V410-A412 PolarHBondContact O-N 2.87Å
413	V	78.1	Confident	87.1	Confident	111 Å²	111	57.5 Å²	57.5	67%	0.673	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.4	-36.1	-174	-178.7	0	0	0	0	112	V410 Q411 K415	V410-V413 PolarHBondContact O-N 3.08Å; Q411-V413 VanDerWaalsContact C-N 3.33Å; V413-K415 PolarHBondContact O-N 3.27Å
414	H	76.8	Confident	87.4	Confident	51 Å²	51	51.7 Å²	51.7	24%	0.236	27%	0.267	C	S	.	.			trans	-81.4	105.4	-178.4	-90.1	-94.3	0	0	0	111.7	L406 V410 T417	L406-H414 HydrophobicContact CD1-CB 4.29Å; V410-H414 HydrophobicContact CG1-CB 4.48Å; V410-H414 WeakPolarHBondContact CG1-CD2 3.34Å; V410-H414 WeakPolarHBondContact O-CB 3.26Å; V410-H414 PolarHBondContact O-N 3.49Å; H414-T417 HydrophobicContact CB-CG2 4.28Å
415	K	76.2	Confident	87.9	Confident	186 Å²	186	44.3 Å²	44.3	81%	0.809	23%	0.233	S	C	*	.			trans	-76.2	-28.3	178.5	-62.9	-176.2	-179.9	-177.9	0	114.1	V413	V413-K415 PolarHBondContact O-N 3.27Å
416	N	85.3	Confident	88.2	Confident	28 Å²	28	43.7 Å²	43.7	15%	0.15	23%	0.231	C	C	.	.			trans	-120.1	116.3	-174.6	-53.9	1.6	0	0	0	109	R476 D478 N479	N416-R476 HydrophobicContact CB-CG 4.37Å; N416-R476 WeakPolarHBondContact O-CD 3Å; N416-D478 WeakPolarHBondContact ND2-CA 3.34Å; N416-D478 PolarHBondContact ND2-OD1 3.16Å; N416-N479 PolarHBondContact ND2-N 3.43Å; N416-N479 PolarHBondContact OD1-ND2 2.66Å; N416-N479 PolarHBondContact OD1-OD1 3.02Å
417	T	90.9	Very high	88.5	Confident	10 Å²	10	43.7 Å²	43.7	6%	0.061	23%	0.231	C	C	.	.			trans	-133.4	0.5	-177	53.6	0	0	0	0	112.9	L368 D401 L402 R403 L406 H414 Y419	L368-T417 HydrophobicContact CD1-CG2 4.21Å; D401-T417 VanDerWaalsContact OD1-CB 3.23Å; D401-T417 WeakPolarHBondContact OD1-CB 3.31Å; D401-T417 PolarHBondContact OD1-OG1 3.49Å; L402-T417 PolarHBondContact N-O 3.15Å; R403-T417 HydrophobicContact CB-CG2 4.21Å; R403-T417 HydrophobicContact CG-CG2 4.47Å; L406-T417 HydrophobicContact CD1-CG2 3.64Å; H414-T417 HydrophobicContact CB-CG2 4.28Å; T417-Y419 WeakPolarHBondContact O-CD2 3.45Å
418	T	93.8	Very high	88.8	Confident	36 Å²	36	45.9 Å²	45.9	22%	0.221	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	138.5	-179.3	52.6	0	0	0	0	111.7	V400 D401 R476 R477	V400-T418 CarbonylContact O-C 3.19Å; V400-T418 WeakPolarHBondContact O-CA 3.38Å; D401-T418 HydrophobicContact CB-CG2 4.23Å; T418-R476 WeakPolarHBondContact O-CA 3.34Å; T418-R477 PolarHBondContact O-N 3.1Å
419	Y	95.8	Very high	89.1	Confident	1 Å²	1	40.1 Å²	40.1	0%	0.004	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	143.9	-175.4	-77.6	-100.2	0	0	0	112.5	L368 P369 L372 N399 V400 L402 T417 W474 K475 R476	L368-Y419 VanDerWaalsContact CB-OH 3.29Å; L368-Y419 WeakPolarHBondContact CB-OH 3.47Å; L368-Y419 HydrophobicContact CD1-CE2 4.07Å; P369-Y419 PolarHBondContact O-OH 2.74Å; L372-Y419 HydrophobicContact CB-CD1 4.11Å; L372-Y419 HydrophobicContact CB-CE1 3.74Å; N399-Y419 PolarHBondContact N-O 3.38Å; V400-Y419 PolarHBondContact N-O 3.41Å; V400-Y419 PolarHBondContact O-N 2.95Å; L402-Y419 HydrophobicContact CD1-CD2 3.7Å; L402-Y419 HydrophobicContact CD1-CE2 3.84Å; L402-Y419 HydrophobicContact CD1-CG 4.36Å; L402-Y419 HydrophobicContact CG-CD2 4.14Å; T417-Y419 WeakPolarHBondContact O-CD2 3.45Å; Y419-W474 HydrophobicContact CD1-CB 3.81Å; Y419-W474 HydrophobicContact CG-CB 4.33Å; Y419-K475 CarbonylContact C-O 3.54Å; Y419-K475 VanDerWaalsContact CA-O 3.28Å; Y419-K475 WeakPolarHBondContact CA-O 3.32Å; Y419-R476 HydrophobicContact CD1-CB 4.08Å; Y419-R476 HydrophobicContact CE1-CB 3.56Å; Y419-R476 HydrophobicContact CE1-CG 4.22Å; Y419-R476 HydrophobicContact CE2-CB 4.18Å; Y419-R476 HydrophobicContact CE2-CG 3.92Å; Y419-R476 WeakPolarHBondContact OH-CD 3.15Å
420	D	96.3	Very high	89.2	Confident	24 Å²	24	41 Å²	41	13%	0.128	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	135.4	174.9	-66.8	-26.7	0	0	0	109.7	T398 N399 W474 K475 R477	T398-D420 WeakPolarHBondContact CA-OD1 3.39Å; T398-D420 VanDerWaalsContact CB-OD1 3.26Å; T398-D420 WeakPolarHBondContact CB-OD1 3.2Å; T398-D420 HydrophobicContact CG2-CB 4.37Å; N399-D420 PolarHBondContact N-OD1 2.85Å; D420-W474 CarbonylContact O-C 3.55Å; D420-W474 WeakPolarHBondContact O-CA 3.44Å; D420-K475 PolarHBondContact N-O 3.49Å; D420-K475 PolarHBondContact O-N 3.47Å; D420-R477 IonicContact OD1-NH2 2.71Å; D420-R477 IonicContact OD2-CZ 3.62Å; D420-R477 IonicContact OD2-NE 3.45Å; D420-R477 PolarHBondContact OD2-NE 2.91Å; D420-R477 IonicContact OD2-NH2 3.32Å; D420-R477 PolarHBondContact OD2-NH2 3.21Å
421	L	97.1	Very high	89.1	Confident	2 Å²	2	42.5 Å²	42.5	1%	0.01	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	135	178.7	-174.8	72.8	0	0	0	109.7	F395 I397 A423 N424 W448 I464 Q472 W474	F395-L421 HydrophobicContact CD2-CD2 4.39Å; F395-L421 HydrophobicContact CE2-CD2 3.77Å; I397-L421 HydrophobicContact CG2-CB 4.08Å; I397-L421 HydrophobicContact CG2-CD2 4.24Å; I397-L421 VanDerWaalsContact O-CB 3.3Å; I397-L421 WeakPolarHBondContact O-CB 3.43Å; I397-L421 PolarHBondContact O-N 3.47Å; L421-A423 WeakPolarHBondContact CD1-O 3.47Å; L421-N424 HydrophobicContact CD2-CB 4.22Å; L421-W448 HydrophobicContact CB-CH2 4.2Å; L421-W448 HydrophobicContact CB-CZ2 4.41Å; L421-W448 HydrophobicContact CD2-CH2 3.87Å; L421-W448 HydrophobicContact CD2-CZ2 4.37Å; L421-W448 HydrophobicContact CG-CH2 3.78Å; L421-W448 HydrophobicContact CG-CZ2 4.41Å; L421-W448 WeakPolarHBondContact O-CH2 3.29Å; L421-W448 VanDerWaalsContact O-CZ2 3.27Å; L421-W448 WeakPolarHBondContact O-CZ2 3.45Å; L421-I464 HydrophobicContact CD2-CG2 4.21Å; L421-Q472 HydrophobicContact CD1-CB 3.84Å; L421-Q472 HydrophobicContact CD1-CG 4.14Å; L421-W474 HydrophobicContact CB-CD2 4.21Å; L421-W474 HydrophobicContact CB-CE3 3.86Å; L421-W474 HydrophobicContact CB-CH2 3.98Å; L421-W474 HydrophobicContact CB-CZ2 4.33Å; L421-W474 HydrophobicContact CB-CZ3 3.72Å; L421-W474 HydrophobicContact CD1-CD2 3.93Å; L421-W474 HydrophobicContact CD1-CE3 4.44Å; L421-W474 HydrophobicContact CD1-CG 4.39Å; L421-W474 HydrophobicContact CD1-CH2 4.24Å; L421-W474 HydrophobicContact CD1-CZ2 3.72Å; L421-W474 HydrophobicContact CG-CZ2 4.49Å; L421-W474 VanDerWaalsContact N-CE3 3.32Å
422	I	96.6	Very high	88.8	Confident	3 Å²	3	44.2 Å²	44.2	2%	0.015	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	-24.4	177.1	60.4	155	0	0	0	113.5	V168 Y371 L441 I473 K475	V168-I422 HydrophobicContact CG2-CD1 3.97Å; Y371-I422 HydrophobicContact CD1-CD1 3.84Å; Y371-I422 HydrophobicContact CE1-CD1 3.75Å; I422-L441 HydrophobicContact CG2-CD2 4.41Å; I422-L441 PolarHBondContact O-N 2.86Å; I422-I473 HydrophobicContact CD1-CB 4.36Å; I422-I473 HydrophobicContact CD1-CG2 3.81Å; I422-I473 HydrophobicContact CG1-CB 4.04Å; I422-I473 HydrophobicContact CG1-CG2 3.91Å; I422-I473 WeakPolarHBondContact CG1-O 3.36Å; I422-I473 PolarHBondContact N-O 3.36Å; I422-K475 HydrophobicContact CG2-CB 3.77Å
423	A	97.5	Very high	89.1	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	139.3	177.2	0	0	0	0	0	110.8	A164 L421 I438 H439 Q472 I473	A164-A423 HydrophobicContact CB-CB 4.07Å; L421-A423 WeakPolarHBondContact CD1-O 3.47Å; A423-I438 HydrophobicContact CB-CD1 4.38Å; A423-H439 CarbonylContact C-O 3.35Å; A423-H439 VanDerWaalsContact CA-O 3.28Å; A423-H439 WeakPolarHBondContact CA-O 3.46Å; A423-Q472 WeakPolarHBondContact O-CA 3.31Å; A423-I473 HydrophobicContact CB-CB 4.21Å; A423-I473 HydrophobicContact CB-CG1 4.35Å; A423-I473 PolarHBondContact N-O 3.38Å; A423-I473 PolarHBondContact O-N 3.28Å
424	N	97.8	Very high	89.4	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	105.5	176.9	176.3	45.7	0	0	0	110	L421 H439 I464 S467 A469 Q472	L421-N424 HydrophobicContact CD2-CB 4.22Å; N424-H439 HydrophobicContact CB-CB 4.26Å; N424-H439 PolarHBondContact N-O 3.41Å; N424-H439 PolarHBondContact ND2-ND1 2.75Å; N424-H439 PolarHBondContact O-N 3.11Å; N424-H439 PolarHBondContact O-ND1 3.5Å; N424-I464 HydrophobicContact CB-CG2 4.08Å; N424-I464 WeakPolarHBondContact ND2-CG2 3.47Å; N424-S467 PolarHBondContact ND2-OG 3.28Å; N424-A469 WeakPolarHBondContact OD1-CB 3.41Å; N424-Q472 WeakPolarHBondContact OD1-CG 3.47Å
425	I	97.7	Very high	90.2	Very high	3 Å²	3	41.9 Å²	41.9	2%	0.015	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	132.8	173.2	-58.3	177	0	0	0	108.5	A160 V161 A164 Y436 R437 I438 Y470 I471	A160-I425 HydrophobicContact CB-CD1 4.16Å; A160-I425 HydrophobicContact CB-CG1 4.24Å; A160-I425 HydrophobicContact CB-CG2 3.87Å; V161-I425 HydrophobicContact CB-CD1 4.45Å; V161-I425 HydrophobicContact CG2-CD1 3.85Å; A164-I425 HydrophobicContact CB-CD1 3.89Å; A164-I425 HydrophobicContact CB-CG1 4.22Å; I425-Y436 HydrophobicContact CG2-CD1 4.04Å; I425-R437 WeakPolarHBondContact CA-O 3.32Å; I425-I438 HydrophobicContact CG1-CB 4.32Å; I425-I438 HydrophobicContact CG1-CD1 3.98Å; I425-I438 HydrophobicContact CG1-CG1 3.94Å; I425-Y470 PolarHBondContact O-N 2.65Å; I425-I471 HydrophobicContact CB-CB 4.06Å; I425-I471 HydrophobicContact CD1-CB 4.1Å; I425-I471 HydrophobicContact CD1-CD1 4.22Å; I425-I471 HydrophobicContact CD1-CG2 4.37Å; I425-I471 HydrophobicContact CG1-CB 4.38Å; I425-I471 PolarHBondContact N-O 3.43Å; I425-I471 PolarHBondContact O-N 3.15Å
426	V	96.2	Very high	91.1	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	143.3	-179.8	-178.9	0	0	0	0	108.8	Y436 R437 H439 S467 E468	V426-Y436 WeakPolarHBondContact O-CA 3.11Å; V426-R437 HydrophobicContact CB-CG 3.93Å; V426-R437 HydrophobicContact CG1-CG 4.44Å; V426-R437 PolarHBondContact N-O 3.24Å; V426-R437 PolarHBondContact O-N 3.4Å; V426-R437 VanDerWaalsContact O-N 3.1Å; V426-H439 VanDerWaalsContact CG2-CE1 3.48Å; V426-H439 WeakPolarHBondContact CG2-CE1 3.49Å; V426-S467 WeakPolarHBondContact CG2-OG 3.2Å; V426-E468 HydrophobicContact CG1-CB 4.43Å
427	H	94.5	Very high	91.6	Very high	4 Å²	4	33.7 Å²	33.7	2%	0.019	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	116	169.5	174	-64.9	0	0	0	109.3	F379 K388 Y436 Y470	F379-H427 AromaticContact CZ-CD2 3.67Å; F379-H427 AromaticContact CZ-CE1 3.73Å; F379-H427 AromaticContact CZ-CG 3.75Å; F379-H427 AromaticContact CZ-ND1 3.78Å; F379-H427 AromaticContact CZ-NE2 3.63Å; K388-H427 VanDerWaalsContact CE-ND1 3.34Å; K388-H427 WeakPolarHBondContact CE-ND1 3.25Å; K388-H427 PolarHBondContact NZ-ND1 2.89Å; K388-H427 PolarHBondContact NZ-O 3.04Å; H427-Y436 HydrophobicContact CB-CD1 4.35Å; H427-Y436 HydrophobicContact CB-CE1 4.2Å; H427-Y436 AromaticContact CD2-CE1 3.89Å; H427-Y436 AromaticContact CD2-CE2 3.69Å; H427-Y436 AromaticContact CD2-CZ 3.51Å; H427-Y470 HydrophobicContact CB-CD1 4.44Å; H427-Y470 HydrophobicContact CB-CG 4.42Å
428	D	90.5	Very high	91.9	Very high	50 Å²	50	33.4 Å²	33.4	27%	0.267	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	151.2	176.1	-65.4	-45.4	0	0	0	111.2	G434 S435 R437	D428-G434 CarbonylContact O-C 3.54Å; D428-G434 WeakPolarHBondContact O-CA 3.09Å; D428-S435 PolarHBondContact N-O 3.15Å; D428-S435 PolarHBondContact O-N 3.42Å; D428-R437 WeakPolarHBondContact OD2-CD 3.38Å; D428-R437 IonicContact OD2-CZ 3.18Å; D428-R437 IonicContact OD2-NE 2.79Å; D428-R437 PolarHBondContact OD2-NE 3.43Å
429	G	87.8	Confident	92.1	Very high	48 Å²	48	31.7 Å²	31.7	50%	0.495	18%	0.181	S	C	.	.	S	Bend	trans	82.5	-165.7	177.8	0	0	0	0	0	115.3	K388	K388-G429 WeakPolarHBondContact CD-O 3.28Å; K388-G429 PolarHBondContact NZ-O 3.34Å
430	K	84.6	Confident	92.1	Very high	141 Å²	141	31.6 Å²	31.6	61%	0.613	18%	0.181	S	C	*	.			trans	-79.6	157.8	-173.8	-66.1	178.5	-175.8	171.8	0	111.9	S432 E433 G434	K430-S432 PolarHBondContact O-N 2.61Å; K430-S432 VanDerWaalsContact O-N 3.08Å; K430-E433 PolarHBondContact O-N 3.25Å; K430-G434 WeakPolarHBondContact O-CA 3.43Å; K430-G434 PolarHBondContact O-N 3.34Å
431	P	81.6	Confident	92.1	Very high	51 Å²	51	31.9 Å²	31.9	33%	0.331	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.2	-31.7	179.3	-29.1	34.4	0	0	0	116.8	F379 V386 K388	F379-P431 HydrophobicContact CD1-CB 4.02Å; F379-P431 HydrophobicContact CD1-CG 4.01Å; F379-P431 HydrophobicContact CE1-CB 4.02Å; F379-P431 HydrophobicContact CE1-CG 4.03Å; V386-P431 HydrophobicContact CB-CB 4.01Å; V386-P431 HydrophobicContact CB-CG 4.36Å; V386-P431 HydrophobicContact CG1-CB 3.76Å; V386-P431 HydrophobicContact CG1-CG 4.06Å; K388-P431 HydrophobicContact CB-CG 3.91Å
432	S	76	Confident	91.9	Very high	90 Å²	90	32.1 Å²	32.1	63%	0.629	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.6	-15.4	-175.2	53	0	0	0	0	114.6	K430	K430-S432 PolarHBondContact O-N 2.61Å; K430-S432 VanDerWaalsContact O-N 3.08Å
433	E	79.8	Confident	91.6	Very high	152 Å²	152	34 Å²	34	71%	0.71	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-136.2	17.7	-170.5	-64.2	177.5	166.1	0	0	111.5	K430	K430-E433 PolarHBondContact O-N 3.25Å
434	G	85.6	Confident	91.1	Very high	10 Å²	10	35 Å²	35	10%	0.103	20%	0.203	C	C	.	.			trans	-75	169	-179.5	0	0	0	0	0	112.8	D428 K430	D428-G434 CarbonylContact O-C 3.54Å; D428-G434 WeakPolarHBondContact O-CA 3.09Å; K430-G434 WeakPolarHBondContact O-CA 3.43Å; K430-G434 PolarHBondContact O-N 3.34Å
435	S	92.3	Very high	90.7	Very high	40 Å²	40	37.4 Å²	37.4	28%	0.28	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	142.4	176.6	58.1	0	0	0	0	110.4	D156 D428	D156-S435 WeakPolarHBondContact OD2-CA 3.19Å; D428-S435 PolarHBondContact N-O 3.15Å; D428-S435 PolarHBondContact O-N 3.42Å
436	Y	94.8	Very high	90.4	Very high	11 Å²	11	39.7 Å²	39.7	4%	0.043	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	138.1	174	-68	-99.3	0	0	0	111.3	D156 Y157 G239 G241 I425 V426 H427 Y470	D156-Y436 PolarHBondContact OD2-N 3.38Å; Y157-Y436 VanDerWaalsContact CB-CE2 3.48Å; G239-Y436 PolarHBondContact O-OH 3.41Å; G241-Y436 PolarHBondContact N-OH 3.39Å; I425-Y436 HydrophobicContact CG2-CD1 4.04Å; V426-Y436 WeakPolarHBondContact O-CA 3.11Å; H427-Y436 HydrophobicContact CB-CD1 4.35Å; H427-Y436 HydrophobicContact CB-CE1 4.2Å; H427-Y436 AromaticContact CD2-CE1 3.89Å; H427-Y436 AromaticContact CD2-CE2 3.69Å; H427-Y436 AromaticContact CD2-CZ 3.51Å; Y436-Y470 AromaticContact CE1-CD1 3.76Å; Y436-Y470 HydrophobicContact CE1-CD1 3.76Å; Y436-Y470 AromaticContact CE1-CE1 3.9Å; Y436-Y470 HydrophobicContact CE1-CE1 3.9Å
437	R	95.9	Very high	90.3	Very high	32 Å²	32	45.2 Å²	45.2	12%	0.121	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	162	170.6	61.5	-174	-165.6	82.2	-7.9	109.4	I425 V426 D428 H439 E450 Q452	I425-R437 WeakPolarHBondContact CA-O 3.32Å; V426-R437 HydrophobicContact CB-CG 3.93Å; V426-R437 HydrophobicContact CG1-CG 4.44Å; V426-R437 PolarHBondContact N-O 3.24Å; V426-R437 PolarHBondContact O-N 3.4Å; V426-R437 VanDerWaalsContact O-N 3.1Å; D428-R437 WeakPolarHBondContact OD2-CD 3.38Å; D428-R437 IonicContact OD2-CZ 3.18Å; D428-R437 IonicContact OD2-NE 2.79Å; D428-R437 PolarHBondContact OD2-NE 3.43Å; R437-H439 PolarHBondContact NH1-CE1 2.9Å; R437-H439 VanDerWaalsContact NH1-CE1 3.26Å; R437-H439 PolarHBondContact NH1-NE2 2.88Å; R437-E450 IonicContact CZ-OE2 2.86Å; R437-E450 VanDerWaalsContact NH1-CD 3.26Å; R437-E450 IonicContact NH1-OE2 2.57Å; R437-E450 PolarHBondContact NH1-OE2 3.33Å; R437-E450 IonicContact NH2-OE2 2.77Å; R437-Q452 HydrophobicContact CB-CB 4Å; R437-Q452 HydrophobicContact CB-CG 4.16Å
438	I	97.4	Very high	90.4	Very high	3 Å²	3	45.8 Å²	45.8	2%	0.015	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	135.8	-175.9	-175.4	179.6	0	0	0	111.7	A160 Q163 A164 A423 I425 V440 E450 L451	A160-I438 HydrophobicContact CB-CB 4.31Å; A160-I438 WeakPolarHBondContact O-CD1 3.43Å; Q163-I438 HydrophobicContact CB-CD1 4.03Å; Q163-I438 HydrophobicContact CB-CG2 4.2Å; A164-I438 HydrophobicContact CB-CD1 3.53Å; A423-I438 HydrophobicContact CB-CD1 4.38Å; I425-I438 HydrophobicContact CG1-CB 4.32Å; I425-I438 HydrophobicContact CG1-CD1 3.98Å; I425-I438 HydrophobicContact CG1-CG1 3.94Å; I438-V440 HydrophobicContact CD1-CG2 3.51Å; I438-V440 HydrophobicContact CG1-CG2 3.67Å; I438-V440 HydrophobicContact CG2-CG2 4.29Å; I438-E450 CarbonylContact O-C 3.56Å; I438-E450 WeakPolarHBondContact O-CA 3.42Å; I438-L451 HydrophobicContact CG2-CB 3.81Å; I438-L451 HydrophobicContact CG2-CD1 4.14Å; I438-L451 PolarHBondContact N-O 2.64Å; I438-L451 PolarHBondContact O-N 2.93Å
439	H	97.6	Very high	90.7	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	131.3	164.2	-48.7	116	0	0	0	109.9	A423 N424 V426 R437 W448 Y449 E450 I459 I464 S467	A423-H439 CarbonylContact C-O 3.35Å; A423-H439 VanDerWaalsContact CA-O 3.28Å; A423-H439 WeakPolarHBondContact CA-O 3.46Å; N424-H439 HydrophobicContact CB-CB 4.26Å; N424-H439 PolarHBondContact N-O 3.41Å; N424-H439 PolarHBondContact ND2-ND1 2.75Å; N424-H439 PolarHBondContact O-N 3.11Å; N424-H439 PolarHBondContact O-ND1 3.5Å; V426-H439 VanDerWaalsContact CG2-CE1 3.48Å; V426-H439 WeakPolarHBondContact CG2-CE1 3.49Å; R437-H439 PolarHBondContact NH1-CE1 2.9Å; R437-H439 VanDerWaalsContact NH1-CE1 3.26Å; R437-H439 PolarHBondContact NH1-NE2 2.88Å; H439-W448 HydrophobicContact CB-CE3 4.09Å; H439-W448 HydrophobicContact CB-CZ3 4.27Å; H439-Y449 CarbonylContact C-O 3.49Å; H439-Y449 VanDerWaalsContact CA-O 3.26Å; H439-Y449 WeakPolarHBondContact CA-O 3.23Å; H439-E450 IonicContact CD2-OE2 3.39Å; H439-E450 IonicContact NE2-OE2 3.44Å; H439-E450 PolarHBondContact NE2-OE2 2.78Å; H439-I459 VanDerWaalsContact CD2-CD1 3.45Å; H439-I459 WeakPolarHBondContact CD2-CD1 3.31Å; H439-I459 VanDerWaalsContact NE2-CD1 3.27Å; H439-I459 WeakPolarHBondContact NE2-CD1 3.1Å; H439-I464 HydrophobicContact CB-CD1 4.37Å; H439-I464 HydrophobicContact CB-CG1 4.38Å; H439-I464 HydrophobicContact CB-CG2 4.39Å; H439-S467 PolarHBondContact CE1-OG 3.34Å
440	V	96.5	Very high	91.1	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	136.6	-177.4	177.4	0	0	0	0	110.4	I146 N167 I438 W448 Y449 L451	I146-V440 HydrophobicContact CD1-CB 4.29Å; I146-V440 HydrophobicContact CD1-CG1 3.76Å; N167-V440 HydrophobicContact CB-CG1 3.79Å; N167-V440 WeakPolarHBondContact ND2-CG1 3.3Å; N167-V440 VanDerWaalsContact OD1-CG1 3.3Å; N167-V440 WeakPolarHBondContact OD1-CG1 3.41Å; I438-V440 HydrophobicContact CD1-CG2 3.51Å; I438-V440 HydrophobicContact CG1-CG2 3.67Å; I438-V440 HydrophobicContact CG2-CG2 4.29Å; V440-W448 WeakPolarHBondContact O-CA 3.42Å; V440-Y449 PolarHBondContact N-O 3.31Å; V440-Y449 PolarHBondContact O-N 3.48Å; V440-L451 HydrophobicContact CB-CD1 3.9Å; V440-L451 HydrophobicContact CG2-CD1 3.66Å
441	L	95.4	Very high	91.6	Very high	30 Å²	30	37.6 Å²	37.6	16%	0.157	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	122.2	169.1	179.7	66.4	0	0	0	110.3	I422 H443 W448	I422-L441 HydrophobicContact CG2-CD2 4.41Å; I422-L441 PolarHBondContact O-N 2.86Å; L441-H443 PolarHBondContact O-N 2.8Å; L441-W448 HydrophobicContact CB-CD2 4.21Å; L441-W448 HydrophobicContact CB-CE3 4.27Å; L441-W448 HydrophobicContact CB-CH2 3.94Å; L441-W448 HydrophobicContact CB-CZ2 3.88Å; L441-W448 HydrophobicContact CB-CZ3 4.15Å; L441-W448 HydrophobicContact CD1-CD2 4.4Å; L441-W448 HydrophobicContact CD1-CG 4.47Å; L441-W448 HydrophobicContact CD1-CZ2 4.41Å
442	H	93.9	Very high	92.2	Very high	6 Å²	6	38 Å²	38	3%	0.028	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	106	167.6	179.4	-91.8	0	0	0	109.9	I146 G444 T445 G446 K447 Y449	I146-H442 HydrophobicContact CD1-CB 4.14Å; I146-H442 HydrophobicContact CG1-CB 4.06Å; H442-G444 VanDerWaalsContact C-N 3.28Å; H442-G444 PolarHBondContact O-N 3.01Å; H442-T445 WeakPolarHBondContact CB-OG1 3.47Å; H442-T445 WeakPolarHBondContact ND1-CB 3.39Å; H442-T445 WeakPolarHBondContact ND1-CG2 3.4Å; H442-T445 PolarHBondContact ND1-N 2.9Å; H442-T445 PolarHBondContact ND1-OG1 2.77Å; H442-T445 PolarHBondContact O-N 3.24Å; H442-T445 VanDerWaalsContact O-N 3.12Å; H442-T445 PolarHBondContact O-OG1 2.92Å; H442-G446 PolarHBondContact O-N 2.87Å; H442-K447 PolarHBondContact N-O 2.91Å; H442-Y449 HydrophobicContact CB-CD2 3.95Å; H442-Y449 HydrophobicContact CB-CE2 3.68Å
443	H	90.1	Very high	92.9	Very high	43 Å²	43	35.8 Å²	35.8	20%	0.199	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-39.9	-173.4	-64	-78.6	0	0	0	113.8	D128 N167 L441 T445	D128-H443 HydrophobicContact CB-CB 4.05Å; D128-H443 CarbonylContact O-C 3.54Å; D128-H443 IonicContact OD1-CD2 3.53Å; D128-H443 IonicContact OD1-CG 3Å; N167-H443 PolarHBondContact O-NE2 3.42Å; N167-H443 VanDerWaalsContact O-NE2 3.12Å; L441-H443 PolarHBondContact O-N 2.8Å; H443-T445 PolarHBondContact O-N 2.83Å
444	G	87	Confident	93.5	Very high	22 Å²	22	32.5 Å²	32.5	23%	0.227	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-21.1	-177.4	0	0	0	0	0	115.4	D128 H442	D128-G444 WeakPolarHBondContact O-CA 3.36Å; D128-G444 PolarHBondContact O-N 2.76Å; H442-G444 VanDerWaalsContact C-N 3.28Å; H442-G444 PolarHBondContact O-N 3.01Å
445	T	89.7	Confident	93.8	Very high	49 Å²	49	38.2 Å²	38.2	30%	0.301	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.9	-19	178.7	56	0	0	0	0	112.7	A131 H442 H443 K447	A131-T445 HydrophobicContact CB-CG2 3.38Å; H442-T445 WeakPolarHBondContact CB-OG1 3.47Å; H442-T445 WeakPolarHBondContact ND1-CB 3.39Å; H442-T445 WeakPolarHBondContact ND1-CG2 3.4Å; H442-T445 PolarHBondContact ND1-N 2.9Å; H442-T445 PolarHBondContact ND1-OG1 2.77Å; H442-T445 PolarHBondContact O-N 3.24Å; H442-T445 VanDerWaalsContact O-N 3.12Å; H442-T445 PolarHBondContact O-OG1 2.92Å; H443-T445 PolarHBondContact O-N 2.83Å; T445-K447 PolarHBondContact O-N 3.4Å; T445-K447 PolarHBondContact OG1-N 2.99Å
446	G	90.8	Very high	93.9	Very high	52 Å²	52	39 Å²	39	54%	0.536	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.1	9.8	-168.9	0	0	0	0	0	113.9	H442	H442-G446 PolarHBondContact O-N 2.87Å
447	K	94	Very high	93.9	Very high	115 Å²	115	41.4 Å²	41.4	50%	0.5	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	150.4	-179.7	-67.7	-173.6	175.4	-171.6	0	111.6	H442 T445 Y449	H442-K447 PolarHBondContact N-O 2.91Å; T445-K447 PolarHBondContact O-N 3.4Å; T445-K447 PolarHBondContact OG1-N 2.99Å; K447-Y449 HydrophobicContact CB-CE2 3.82Å
448	W	96.5	Very high	93.9	Very high	16 Å²	16	45.1 Å²	45.1	6%	0.061	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	140.6	175.7	-74.1	86.8	0	0	0	111.2	I397 L421 H439 V440 L441 I459 I464	I397-W448 HydrophobicContact CG2-CZ2 3.6Å; L421-W448 HydrophobicContact CB-CH2 4.2Å; L421-W448 HydrophobicContact CB-CZ2 4.41Å; L421-W448 HydrophobicContact CD2-CH2 3.87Å; L421-W448 HydrophobicContact CD2-CZ2 4.37Å; L421-W448 HydrophobicContact CG-CH2 3.78Å; L421-W448 HydrophobicContact CG-CZ2 4.41Å; L421-W448 WeakPolarHBondContact O-CH2 3.29Å; L421-W448 VanDerWaalsContact O-CZ2 3.27Å; L421-W448 WeakPolarHBondContact O-CZ2 3.45Å; H439-W448 HydrophobicContact CB-CE3 4.09Å; H439-W448 HydrophobicContact CB-CZ3 4.27Å; V440-W448 WeakPolarHBondContact O-CA 3.42Å; L441-W448 HydrophobicContact CB-CD2 4.21Å; L441-W448 HydrophobicContact CB-CE3 4.27Å; L441-W448 HydrophobicContact CB-CH2 3.94Å; L441-W448 HydrophobicContact CB-CZ2 3.88Å; L441-W448 HydrophobicContact CB-CZ3 4.15Å; L441-W448 HydrophobicContact CD1-CD2 4.4Å; L441-W448 HydrophobicContact CD1-CG 4.47Å; L441-W448 HydrophobicContact CD1-CZ2 4.41Å; W448-I459 HydrophobicContact CB-CG2 3.74Å; W448-I459 WeakPolarHBondContact CB-O 3.49Å; W448-I459 PolarHBondContact O-N 3.4Å; W448-I464 HydrophobicContact CB-CD1 3.96Å; W448-I464 HydrophobicContact CD2-CD1 3.26Å; W448-I464 HydrophobicContact CE3-CD1 3.39Å; W448-I464 HydrophobicContact CG-CD1 3.54Å; W448-I464 HydrophobicContact CZ2-CD1 4.4Å; W448-I464 HydrophobicContact CZ3-CD1 4.04Å
449	Y	96.8	Very high	93.8	Very high	19 Å²	19	46.2 Å²	46.2	8%	0.075	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	139.2	177.8	-65.1	-93.3	0	0	0	109.5	L143 I146 H439 V440 H442 K447 V456 T457 D458	L143-Y449 HydrophobicContact CD1-CE1 4.16Å; L143-Y449 HydrophobicContact CD1-CE2 4.01Å; L143-Y449 VanDerWaalsContact CD1-OH 3.25Å; L143-Y449 WeakPolarHBondContact CD1-OH 3.23Å; I146-Y449 HydrophobicContact CD1-CD2 4.33Å; I146-Y449 HydrophobicContact CG1-CD2 4.23Å; I146-Y449 HydrophobicContact CG2-CD1 3.84Å; I146-Y449 HydrophobicContact CG2-CD2 4.06Å; I146-Y449 HydrophobicContact CG2-CG 3.56Å; H439-Y449 CarbonylContact C-O 3.49Å; H439-Y449 VanDerWaalsContact CA-O 3.26Å; H439-Y449 WeakPolarHBondContact CA-O 3.23Å; V440-Y449 PolarHBondContact N-O 3.31Å; V440-Y449 PolarHBondContact O-N 3.48Å; H442-Y449 HydrophobicContact CB-CD2 3.95Å; H442-Y449 HydrophobicContact CB-CE2 3.68Å; K447-Y449 HydrophobicContact CB-CE2 3.82Å; Y449-V456 HydrophobicContact CD1-CG1 4.26Å; Y449-T457 CarbonylContact C-O 3.54Å; Y449-T457 VanDerWaalsContact CA-O 3.31Å; Y449-T457 WeakPolarHBondContact CA-O 3.43Å; Y449-D458 WeakPolarHBondContact CD1-OD1 3.46Å; Y449-D458 WeakPolarHBondContact CE1-OD1 3.17Å
450	E	97.1	Very high	93.6	Very high	42 Å²	42	51.7 Å²	51.7	20%	0.196	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	128.7	167.2	-179.9	180	99.2	0	0	108.6	R437 I438 H439 V456 T457 I459	R437-E450 IonicContact CZ-OE2 2.86Å; R437-E450 VanDerWaalsContact NH1-CD 3.26Å; R437-E450 IonicContact NH1-OE2 2.57Å; R437-E450 PolarHBondContact NH1-OE2 3.33Å; R437-E450 IonicContact NH2-OE2 2.77Å; I438-E450 CarbonylContact O-C 3.56Å; I438-E450 WeakPolarHBondContact O-CA 3.42Å; H439-E450 IonicContact CD2-OE2 3.39Å; H439-E450 IonicContact NE2-OE2 3.44Å; H439-E450 PolarHBondContact NE2-OE2 2.78Å; E450-V456 WeakPolarHBondContact O-CA 3.42Å; E450-T457 PolarHBondContact N-O 2.99Å; E450-T457 PolarHBondContact O-N 2.66Å; E450-I459 HydrophobicContact CB-CB 4.29Å; E450-I459 HydrophobicContact CB-CD1 4.49Å; E450-I459 HydrophobicContact CB-CG2 4.31Å
451	L	95.6	Very high	93.4	Very high	6 Å²	6	54.4 Å²	54.4	3%	0.031	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	122.8	176.4	-53.2	91	0	0	0	108.6	I146 V147 I438 V440 Q455 V456	I146-L451 HydrophobicContact CG2-CD1 4.5Å; I146-L451 HydrophobicContact CG2-CD2 4.19Å; I146-L451 HydrophobicContact CG2-CG 4.5Å; V147-L451 WeakPolarHBondContact O-CD2 3.36Å; I438-L451 HydrophobicContact CG2-CB 3.81Å; I438-L451 HydrophobicContact CG2-CD1 4.14Å; I438-L451 PolarHBondContact N-O 2.64Å; I438-L451 PolarHBondContact O-N 2.93Å; V440-L451 HydrophobicContact CB-CD1 3.9Å; V440-L451 HydrophobicContact CG2-CD1 3.66Å; L451-Q455 WeakPolarHBondContact CA-O 3.49Å; L451-V456 HydrophobicContact CD2-CG2 4.19Å; L451-V456 HydrophobicContact CG-CG2 4.37Å
452	Q	93.9	Very high	93.1	Very high	60 Å²	60	60.3 Å²	60.3	28%	0.28	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	102.4	173.1	-175.5	174.7	0.4	0	0	108.1	R437 L454 Q455	R437-Q452 HydrophobicContact CB-CB 4Å; R437-Q452 HydrophobicContact CB-CG 4.16Å; Q452-L454 PolarHBondContact O-N 3.31Å; Q452-L454 VanDerWaalsContact O-N 3.08Å; Q452-Q455 PolarHBondContact N-O 3.14Å; Q452-Q455 WeakPolarHBondContact O-CB 3.28Å; Q452-Q455 PolarHBondContact O-N 3.5Å
453	D	90.9	Very high	93	Very high	43 Å²	43	64.8 Å²	64.8	23%	0.23	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.8	-112.9	-173.7	-58.1	-31	0	0	0	111.8	G148 L149 N151	G148-D453 CarbonylContact C-O 3.54Å; G148-D453 WeakPolarHBondContact CA-O 3.47Å; L149-D453 PolarHBondContact N-O 3.45Å; L149-D453 CarbonylContact O-C 3.47Å; L149-D453 VanDerWaalsContact O-CA 3.23Å; L149-D453 WeakPolarHBondContact O-CA 3.21Å; N151-D453 HydrophobicContact CB-CB 3.87Å; N151-D453 WeakPolarHBondContact CB-OD1 3.49Å; N151-D453 WeakPolarHBondContact CB-OD2 3.03Å; N151-D453 PolarHBondContact ND2-OD2 3.34Å
454	L	91.6	Very high	93.2	Very high	83 Å²	83	62.7 Å²	62.7	44%	0.435	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-13.2	179.4	-63.5	178.3	0	0	0	113.6	N150 H215 Q452	N150-L454 HydrophobicContact CB-CD2 4.15Å; H215-L454 HydrophobicContact CB-CD2 3.55Å; Q452-L454 PolarHBondContact O-N 3.31Å; Q452-L454 VanDerWaalsContact O-N 3.08Å
455	Q	92.6	Very high	93.3	Very high	130 Å²	130	63.1 Å²	63.1	61%	0.607	34%	0.337	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.4	132	-177.6	-60.8	-176.5	-2.5	0	0	110.2	L451 Q452	L451-Q455 WeakPolarHBondContact CA-O 3.49Å; Q452-Q455 PolarHBondContact N-O 3.14Å; Q452-Q455 WeakPolarHBondContact O-CB 3.28Å; Q452-Q455 PolarHBondContact O-N 3.5Å
456	V	94.6	Very high	93.3	Very high	56 Å²	56	66 Å²	66	34%	0.339	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	121	176.4	179	0	0	0	0	107.5	I146 Y449 E450 L451	I146-V456 HydrophobicContact CG2-CG1 3.65Å; Y449-V456 HydrophobicContact CD1-CG1 4.26Å; E450-V456 WeakPolarHBondContact O-CA 3.42Å; L451-V456 HydrophobicContact CD2-CG2 4.19Å; L451-V456 HydrophobicContact CG-CG2 4.37Å
457	T	95	Very high	93.3	Very high	63 Å²	63	63.9 Å²	63.9	39%	0.387	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	146.1	-176.9	52.7	0	0	0	0	110.8	Y449 E450	Y449-T457 CarbonylContact C-O 3.54Å; Y449-T457 VanDerWaalsContact CA-O 3.31Å; Y449-T457 WeakPolarHBondContact CA-O 3.43Å; E450-T457 PolarHBondContact N-O 2.99Å; E450-T457 PolarHBondContact O-N 2.66Å
458	D	94.8	Very high	93.3	Very high	109 Å²	109	60 Å²	60	58%	0.583	31%	0.31	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.7	138.1	171.9	-73	18.5	0	0	0	109	Y449	Y449-D458 WeakPolarHBondContact CD1-OD1 3.46Å; Y449-D458 WeakPolarHBondContact CE1-OD1 3.17Å
459	I	95.3	Very high	93.2	Very high	26 Å²	26	59.2 Å²	59.2	13%	0.133	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	140.7	177.3	-166.7	176.1	0	0	0	111.5	H439 W448 E450 M463 I464	H439-I459 VanDerWaalsContact CD2-CD1 3.45Å; H439-I459 WeakPolarHBondContact CD2-CD1 3.31Å; H439-I459 VanDerWaalsContact NE2-CD1 3.27Å; H439-I459 WeakPolarHBondContact NE2-CD1 3.1Å; W448-I459 HydrophobicContact CB-CG2 3.74Å; W448-I459 WeakPolarHBondContact CB-O 3.49Å; W448-I459 PolarHBondContact O-N 3.4Å; E450-I459 HydrophobicContact CB-CB 4.29Å; E450-I459 HydrophobicContact CB-CD1 4.49Å; E450-I459 HydrophobicContact CB-CG2 4.31Å; I459-M463 HydrophobicContact CD1-CB 3.78Å; I459-M463 HydrophobicContact CG1-CB 3.78Å; I459-M463 HydrophobicContact CG1-CG 4.42Å; I459-I464 HydrophobicContact CD1-CG1 4.4Å; I459-I464 HydrophobicContact CG2-CG1 4.45Å
460	L	93.7	Very high	93.2	Very high	116 Å²	116	58.8 Å²	58.8	61%	0.607	31%	0.305	S	S	*	.			trans	-75.6	140.7	174.3	-65.8	174.3	0	0	0	110.5	Q462 M463	L460-Q462 PolarHBondContact O-N 3.38Å; L460-Q462 VanDerWaalsContact O-N 3.11Å; L460-M463 HydrophobicContact CB-CG 4.3Å; L460-M463 WeakPolarHBondContact O-CB 3.35Å; L460-M463 PolarHBondContact O-N 3.33Å
461	P	91.6	Very high	93.2	Very high	57 Å²	57	57 Å²	57	37%	0.37	30%	0.297	S	S	.	.	H	α-helix	trans	-51.7	-39.9	179.7	-27.5	33.3	0	0	0	113.6	I397 M463 I464	I397-P461 HydrophobicContact CD1-CB 3.51Å; I397-P461 WeakPolarHBondContact CD1-O 3.08Å; P461-M463 PolarHBondContact O-N 2.73Å; P461-M463 VanDerWaalsContact O-N 3.17Å; P461-I464 VanDerWaalsContact O-CB 3.28Å; P461-I464 WeakPolarHBondContact O-CB 3.38Å; P461-I464 WeakPolarHBondContact O-CG1 3.16Å; P461-I464 PolarHBondContact O-N 2.82Å
462	Q	90.1	Very high	93.3	Very high	153 Å²	153	56.7 Å²	56.7	72%	0.715	30%	0.295	S	S	*	.	H	α-helix	trans	-59.3	-28.2	179.7	-65.3	168.5	-4.4	0	0	113.6	L460 I464 T465	L460-Q462 PolarHBondContact O-N 3.38Å; L460-Q462 VanDerWaalsContact O-N 3.11Å; Q462-I464 VanDerWaalsContact C-N 3.33Å; Q462-T465 PolarHBondContact O-OG1 2.89Å
463	M	91.9	Very high	93.5	Very high	100 Å²	100	54 Å²	54	49%	0.493	28%	0.283	S	S	.	.	H	α-helix	trans	-76.4	-24.1	178.9	-61.7	-59.2	-66	0	0	112.1	I459 L460 P461 T465 L466	I459-M463 HydrophobicContact CD1-CB 3.78Å; I459-M463 HydrophobicContact CG1-CB 3.78Å; I459-M463 HydrophobicContact CG1-CG 4.42Å; L460-M463 HydrophobicContact CB-CG 4.3Å; L460-M463 WeakPolarHBondContact O-CB 3.35Å; L460-M463 PolarHBondContact O-N 3.33Å; P461-M463 PolarHBondContact O-N 2.73Å; P461-M463 VanDerWaalsContact O-N 3.17Å; M463-T465 VanDerWaalsContact C-N 3.32Å; M463-T465 PolarHBondContact O-N 3.23Å; M463-L466 HydrophobicContact CE-CD1 4.48Å; M463-L466 PolarHBondContact O-N 2.86Å; M463-L466 HydrophobicContact SD-CD1 4.13Å
464	I	93.2	Very high	93.8	Very high	0 Å²	0	52 Å²	52	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-65.1	-39.2	-179.2	-55.9	177	0	0	0	110.3	F395 I397 L421 N424 H439 W448 I459 P461 Q462 L466 S467	F395-I464 HydrophobicContact CE2-CG2 4.37Å; F395-I464 HydrophobicContact CZ-CG2 4.4Å; I397-I464 HydrophobicContact CD1-CB 4.45Å; I397-I464 HydrophobicContact CD1-CD1 4.49Å; L421-I464 HydrophobicContact CD2-CG2 4.21Å; N424-I464 HydrophobicContact CB-CG2 4.08Å; N424-I464 WeakPolarHBondContact ND2-CG2 3.47Å; H439-I464 HydrophobicContact CB-CD1 4.37Å; H439-I464 HydrophobicContact CB-CG1 4.38Å; H439-I464 HydrophobicContact CB-CG2 4.39Å; W448-I464 HydrophobicContact CB-CD1 3.96Å; W448-I464 HydrophobicContact CD2-CD1 3.26Å; W448-I464 HydrophobicContact CE3-CD1 3.39Å; W448-I464 HydrophobicContact CG-CD1 3.54Å; W448-I464 HydrophobicContact CZ2-CD1 4.4Å; W448-I464 HydrophobicContact CZ3-CD1 4.04Å; I459-I464 HydrophobicContact CD1-CG1 4.4Å; I459-I464 HydrophobicContact CG2-CG1 4.45Å; P461-I464 VanDerWaalsContact O-CB 3.28Å; P461-I464 WeakPolarHBondContact O-CB 3.38Å; P461-I464 WeakPolarHBondContact O-CG1 3.16Å; P461-I464 PolarHBondContact O-N 2.82Å; Q462-I464 VanDerWaalsContact C-N 3.33Å; I464-L466 VanDerWaalsContact C-N 3.25Å; I464-L466 PolarHBondContact O-N 3.37Å; I464-S467 PolarHBondContact O-N 2.94Å; I464-S467 PolarHBondContact O-OG 3.22Å
465	T	90.4	Very high	94.1	Very high	31 Å²	31	50 Å²	50	19%	0.19	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-17.8	-178.7	58.9	0	0	0	0	113.3	I392 F395 I397 Q462 M463 S467	I392-T465 WeakPolarHBondContact CG2-O 3.42Å; F395-T465 HydrophobicContact CD2-CG2 4.26Å; F395-T465 HydrophobicContact CE2-CG2 4.06Å; F395-T465 HydrophobicContact CZ-CG2 4.43Å; F395-T465 VanDerWaalsContact O-CG2 3.23Å; F395-T465 WeakPolarHBondContact O-CG2 3.43Å; I397-T465 HydrophobicContact CD1-CG2 4.19Å; I397-T465 HydrophobicContact CG1-CG2 4.09Å; Q462-T465 PolarHBondContact O-OG1 2.89Å; M463-T465 VanDerWaalsContact C-N 3.32Å; M463-T465 PolarHBondContact O-N 3.23Å; T465-S467 VanDerWaalsContact C-N 3.33Å
466	L	89.3	Confident	94.2	Very high	110 Å²	110	46 Å²	46	58%	0.576	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-8.9	177.5	-60.2	176.9	0	0	0	112.9	M463 I464	M463-L466 HydrophobicContact CE-CD1 4.48Å; M463-L466 PolarHBondContact O-N 2.86Å; M463-L466 HydrophobicContact SD-CD1 4.13Å; I464-L466 VanDerWaalsContact C-N 3.25Å; I464-L466 PolarHBondContact O-N 3.37Å
467	S	91.4	Very high	94	Very high	6 Å²	6	45.4 Å²	45.4	4%	0.042	23%	0.231	C	C	.	.	S	Bend	trans	-83.9	155.1	-176.8	68.9	0	0	0	0	112.9	N424 V426 H439 I464 T465 A469	N424-S467 PolarHBondContact ND2-OG 3.28Å; V426-S467 WeakPolarHBondContact CG2-OG 3.2Å; H439-S467 PolarHBondContact CE1-OG 3.34Å; I464-S467 PolarHBondContact O-N 2.94Å; I464-S467 PolarHBondContact O-OG 3.22Å; T465-S467 VanDerWaalsContact C-N 3.33Å; S467-A469 PolarHBondContact O-N 3.06Å
468	E	92.4	Very high	93.3	Very high	34 Å²	34	45.7 Å²	45.7	16%	0.159	23%	0.23	C	C	.	.			trans	-74.7	66.5	173	-67.5	-174.8	-164.3	0	0	111.2	R378 K388 I392 V426 Y470	R378-E468 PolarHBondContact NE-O 2.98Å; K388-E468 WeakPolarHBondContact CE-OE2 3.19Å; K388-E468 IonicContact NZ-OE2 3.64Å; K388-E468 PolarHBondContact NZ-OE2 3.4Å; I392-E468 HydrophobicContact CD1-CG 3.69Å; V426-E468 HydrophobicContact CG1-CB 4.43Å; E468-Y470 PolarHBondContact O-N 2.84Å
469	A	95	Very high	91.6	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-49	126.1	179.5	0	0	0	0	0	111.1	I376 R378 F395 N424 S467 Q472	I376-A469 HydrophobicContact CD1-CB 3.85Å; I376-A469 WeakPolarHBondContact CD1-O 3.16Å; R378-A469 PolarHBondContact NE-O 2.82Å; R378-A469 PolarHBondContact NH2-O 3.28Å; F395-A469 HydrophobicContact CE1-CB 4.02Å; F395-A469 HydrophobicContact CZ-CB 4.36Å; N424-A469 WeakPolarHBondContact OD1-CB 3.41Å; S467-A469 PolarHBondContact O-N 3.06Å; A469-Q472 HydrophobicContact CB-CG 4.47Å
470	Y	96.2	Very high	89.5	Confident	10 Å²	10	49.7 Å²	49.7	4%	0.039	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	-49.2	-177	-174.1	-135.3	0	0	0	112	D240 V242 I376 R378 F379 I425 H427 Y436 E468	D240-Y470 VanDerWaalsContact CG-OH 3.23Å; D240-Y470 PolarHBondContact OD1-OH 3.35Å; D240-Y470 VanDerWaalsContact OD1-OH 3.1Å; D240-Y470 PolarHBondContact OD2-OH 2.96Å; V242-Y470 HydrophobicContact CG2-CD1 4.45Å; V242-Y470 HydrophobicContact CG2-CE1 3.75Å; V242-Y470 HydrophobicContact CG2-CE2 3.91Å; V242-Y470 VanDerWaalsContact CG2-CZ 3.42Å; V242-Y470 WeakPolarHBondContact CG2-OH 3.22Å; I376-Y470 PolarHBondContact N-O 3.05Å; I376-Y470 VanDerWaalsContact O-CD2 3.31Å; I376-Y470 WeakPolarHBondContact O-CD2 3.37Å; I376-Y470 WeakPolarHBondContact O-CE2 3.27Å; R378-Y470 HydrophobicContact CB-CD2 4.39Å; R378-Y470 HydrophobicContact CB-CE2 4.47Å; R378-Y470 HydrophobicContact CG-CD2 4.23Å; F379-Y470 AromaticContact CD2-CE2 3.88Å; F379-Y470 HydrophobicContact CD2-CE2 3.88Å; F379-Y470 AromaticContact CD2-CZ 3.85Å; F379-Y470 HydrophobicContact CE2-CD2 4.32Å; F379-Y470 HydrophobicContact CE2-CE1 4.21Å; F379-Y470 AromaticContact CE2-CE2 3.73Å; F379-Y470 HydrophobicContact CE2-CE2 3.73Å; F379-Y470 AromaticContact CE2-CZ 3.65Å; I425-Y470 PolarHBondContact O-N 2.65Å; H427-Y470 HydrophobicContact CB-CD1 4.44Å; H427-Y470 HydrophobicContact CB-CG 4.42Å; Y436-Y470 AromaticContact CE1-CD1 3.76Å; Y436-Y470 HydrophobicContact CE1-CD1 3.76Å; Y436-Y470 AromaticContact CE1-CE1 3.9Å; Y436-Y470 HydrophobicContact CE1-CE1 3.9Å; E468-Y470 PolarHBondContact O-N 2.84Å
471	I	97.9	Very high	87.2	Confident	3 Å²	3	48.3 Å²	48.3	2%	0.015	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	130.9	175.7	-56.5	169.1	0	0	0	108.3	V161 V242 L245 I373 F374 I425	V161-I471 HydrophobicContact CG2-CD1 4.24Å; V242-I471 HydrophobicContact CG2-CD1 3.83Å; V242-I471 HydrophobicContact CG2-CG1 3.74Å; L245-I471 HydrophobicContact CD2-CD1 4.32Å; L245-I471 HydrophobicContact CD2-CG2 3.9Å; I373-I471 HydrophobicContact CG2-CG2 3.96Å; F374-I471 CarbonylContact O-C 3.5Å; F374-I471 WeakPolarHBondContact O-CA 3.4Å; I425-I471 HydrophobicContact CB-CB 4.06Å; I425-I471 HydrophobicContact CD1-CB 4.1Å; I425-I471 HydrophobicContact CD1-CD1 4.22Å; I425-I471 HydrophobicContact CD1-CG2 4.37Å; I425-I471 HydrophobicContact CG1-CB 4.38Å; I425-I471 PolarHBondContact N-O 3.43Å; I425-I471 PolarHBondContact O-N 3.15Å
472	Q	97.8	Very high	84.6	Confident	0 Å²	0	49 Å²	49	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	143.4	177.7	-63.3	177.2	-24.4	0	0	110.6	I373 F374 L421 A423 N424 A469 W474	I373-Q472 CarbonylContact C-O 3.56Å; I373-Q472 VanDerWaalsContact CA-O 3.27Å; I373-Q472 WeakPolarHBondContact CA-O 3.3Å; F374-Q472 HydrophobicContact CB-CB 4.34Å; F374-Q472 PolarHBondContact N-O 3.49Å; F374-Q472 PolarHBondContact O-N 2.88Å; L421-Q472 HydrophobicContact CD1-CB 3.84Å; L421-Q472 HydrophobicContact CD1-CG 4.14Å; A423-Q472 WeakPolarHBondContact O-CA 3.31Å; N424-Q472 WeakPolarHBondContact OD1-CG 3.47Å; A469-Q472 HydrophobicContact CB-CG 4.47Å; Q472-W474 VanDerWaalsContact CB-NE1 3.31Å; Q472-W474 VanDerWaalsContact OE1-NE1 3.17Å
473	I	98.1	Very high	82	Confident	3 Å²	3	48.3 Å²	48.3	2%	0.015	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	127.8	171.3	-49.9	-173.7	0	0	0	108.7	A164 L165 V168 F271 Y371 I373 I422 A423	A164-I473 HydrophobicContact CB-CD1 3.68Å; A164-I473 HydrophobicContact CB-CG1 4.49Å; L165-I473 HydrophobicContact CD2-CD1 4.41Å; V168-I473 HydrophobicContact CG2-CD1 4.15Å; V168-I473 HydrophobicContact CG2-CG2 4Å; F271-I473 HydrophobicContact CE1-CG2 4.44Å; Y371-I473 HydrophobicContact CD1-CG2 4.34Å; I373-I473 HydrophobicContact CG1-CG1 4.29Å; I422-I473 HydrophobicContact CD1-CB 4.36Å; I422-I473 HydrophobicContact CD1-CG2 3.81Å; I422-I473 HydrophobicContact CG1-CB 4.04Å; I422-I473 HydrophobicContact CG1-CG2 3.91Å; I422-I473 WeakPolarHBondContact CG1-O 3.36Å; I422-I473 PolarHBondContact N-O 3.36Å; A423-I473 HydrophobicContact CB-CB 4.21Å; A423-I473 HydrophobicContact CB-CG1 4.35Å; A423-I473 PolarHBondContact N-O 3.38Å; A423-I473 PolarHBondContact O-N 3.28Å
474	W	97.4	Very high	79.3	Confident	1 Å²	1	51.6 Å²	51.6	0%	0.004	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	131.2	-176.7	-62.6	81.3	0	0	0	110.1	L337 Y371 L372 F374 F395 P396 V400 Y419 D420 L421 Q472	L337-W474 HydrophobicContact CD2-CH2 4.31Å; L337-W474 HydrophobicContact CD2-CZ2 4.05Å; Y371-W474 CarbonylContact C-O 3.05Å; Y371-W474 VanDerWaalsContact CA-O 3.24Å; Y371-W474 WeakPolarHBondContact CA-O 3.2Å; L372-W474 HydrophobicContact CB-CB 4.42Å; L372-W474 PolarHBondContact N-O 2.87Å; L372-W474 PolarHBondContact O-N 3.07Å; F374-W474 AromaticContact CD2-CD1 3.49Å; F374-W474 VanDerWaalsContact CD2-CD1 3.49Å; F374-W474 AromaticContact CD2-CE2 3.91Å; F374-W474 HydrophobicContact CD2-CG 4.46Å; F374-W474 AromaticContact CD2-NE1 3.09Å; F374-W474 AromaticContact CE2-CD1 3.68Å; F374-W474 HydrophobicContact CE2-CD2 4.37Å; F374-W474 AromaticContact CE2-CE2 3.9Å; F374-W474 HydrophobicContact CE2-CG 4.25Å; F374-W474 AromaticContact CE2-NE1 3.46Å; F395-W474 HydrophobicContact CB-CH2 4.36Å; F395-W474 HydrophobicContact CD2-CH2 4.07Å; F395-W474 HydrophobicContact CD2-CZ2 4.22Å; F395-W474 HydrophobicContact CG-CZ2 4.47Å; P396-W474 WeakPolarHBondContact O-CH2 3.3Å; P396-W474 WeakPolarHBondContact O-CZ3 3.08Å; V400-W474 HydrophobicContact CB-CE3 4.41Å; V400-W474 HydrophobicContact CB-CZ3 4.03Å; V400-W474 HydrophobicContact CG2-CE3 4.22Å; V400-W474 HydrophobicContact CG2-CH2 3.68Å; V400-W474 HydrophobicContact CG2-CZ3 3.39Å; Y419-W474 HydrophobicContact CD1-CB 3.81Å; Y419-W474 HydrophobicContact CG-CB 4.33Å; D420-W474 CarbonylContact O-C 3.55Å; D420-W474 WeakPolarHBondContact O-CA 3.44Å; L421-W474 HydrophobicContact CB-CD2 4.21Å; L421-W474 HydrophobicContact CB-CE3 3.86Å; L421-W474 HydrophobicContact CB-CH2 3.98Å; L421-W474 HydrophobicContact CB-CZ2 4.33Å; L421-W474 HydrophobicContact CB-CZ3 3.72Å; L421-W474 HydrophobicContact CD1-CD2 3.93Å; L421-W474 HydrophobicContact CD1-CE3 4.44Å; L421-W474 HydrophobicContact CD1-CG 4.39Å; L421-W474 HydrophobicContact CD1-CH2 4.24Å; L421-W474 HydrophobicContact CD1-CZ2 3.72Å; L421-W474 HydrophobicContact CG-CZ2 4.49Å; L421-W474 VanDerWaalsContact N-CE3 3.32Å; Q472-W474 VanDerWaalsContact CB-NE1 3.31Å; Q472-W474 VanDerWaalsContact OE1-NE1 3.17Å
475	K	96.4	Very high	76.5	Confident	43 Å²	43	59.7 Å²	59.7	19%	0.187	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	130.5	174.2	179	-168	173.5	-157.7	0	108.9	Y371 Y419 D420 I422 R477 E481	Y371-K475 HydrophobicContact CD1-CB 4.09Å; Y371-K475 HydrophobicContact CD1-CG 4.46Å; Y371-K475 HydrophobicContact CE1-CB 3.69Å; Y371-K475 HydrophobicContact CE1-CD 4.44Å; Y371-K475 HydrophobicContact CE1-CG 3.74Å; Y419-K475 CarbonylContact C-O 3.54Å; Y419-K475 VanDerWaalsContact CA-O 3.28Å; Y419-K475 WeakPolarHBondContact CA-O 3.32Å; D420-K475 PolarHBondContact N-O 3.49Å; D420-K475 PolarHBondContact O-N 3.47Å; I422-K475 HydrophobicContact CG2-CB 3.77Å; K475-R477 PolarHBondContact O-N 3.33Å; K475-E481 IonicContact NZ-OE1 2.71Å; K475-E481 PolarHBondContact NZ-OE1 3.42Å; K475-E481 IonicContact NZ-OE2 3.86Å; K475-E481 PolarHBondContact NZ-OE2 2.87Å
476	R	95.1	Very high	73.6	Confident	46 Å²	46	61.7 Å²	61.7	17%	0.174	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	130.3	169.5	-166.7	173.9	66.3	-162.8	1.1	109.6	L368 P370 N416 T418 Y419 D478	L368-R476 PolarHBondContact O-NH1 3.21Å; P370-R476 WeakPolarHBondContact O-CB 3.12Å; P370-R476 PolarHBondContact O-N 3.37Å; N416-R476 HydrophobicContact CB-CG 4.37Å; N416-R476 WeakPolarHBondContact O-CD 3Å; T418-R476 WeakPolarHBondContact O-CA 3.34Å; Y419-R476 HydrophobicContact CD1-CB 4.08Å; Y419-R476 HydrophobicContact CE1-CB 3.56Å; Y419-R476 HydrophobicContact CE1-CG 4.22Å; Y419-R476 HydrophobicContact CE2-CB 4.18Å; Y419-R476 HydrophobicContact CE2-CG 3.92Å; Y419-R476 WeakPolarHBondContact OH-CD 3.15Å; R476-D478 IonicContact NE-OD1 2.94Å
477	R	90.9	Very high	70.6	Confident	43 Å²	43	64 Å²	64	16%	0.162	36%	0.361	C	S	.	.	P	Polyproline II helix	trans	-73.2	132	170.6	-177.8	173.5	-76.8	168.4	5.1	109.1	N399 T418 D420 K475	N399-R477 PolarHBondContact OD1-NH1 3.24Å; T418-R477 PolarHBondContact O-N 3.1Å; D420-R477 IonicContact OD1-NH2 2.71Å; D420-R477 IonicContact OD2-CZ 3.62Å; D420-R477 IonicContact OD2-NE 3.45Å; D420-R477 PolarHBondContact OD2-NE 2.91Å; D420-R477 IonicContact OD2-NH2 3.32Å; D420-R477 PolarHBondContact OD2-NH2 3.21Å; K475-R477 PolarHBondContact O-N 3.33Å
478	D	81.3	Confident	69.5	Low	68 Å²	68	67 Å²	67	36%	0.364	38%	0.377	S	S	.	.	P	Polyproline II helix	trans	-97.1	135.4	169.9	-68.2	-37.6	0	0	0	109.4	N416 R476 D480 E481	N416-D478 WeakPolarHBondContact ND2-CA 3.34Å; N416-D478 PolarHBondContact ND2-OD1 3.16Å; R476-D478 IonicContact NE-OD1 2.94Å; D478-D480 PolarHBondContact O-N 3.14Å; D478-E481 PolarHBondContact O-N 3.38Å
479	N	58.4	Low	68.3	Low	81 Å²	81	68.7 Å²	68.7	43%	0.433	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-15.2	-172.8	-73.2	-7.7	0	0	0	114.9	N416 E481 T482	N416-N479 PolarHBondContact ND2-N 3.43Å; N416-N479 PolarHBondContact OD1-ND2 2.66Å; N416-N479 PolarHBondContact OD1-OD1 3.02Å; N479-E481 VanDerWaalsContact C-N 3.34Å; N479-T482 PolarHBondContact O-OG1 3.31Å
480	D	50.3	Low	66.9	Low	139 Å²	139	72.5 Å²	72.5	74%	0.743	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-21.7	176.3	-67.1	-27	0	0	0	113.1	D478	D478-D480 PolarHBondContact O-N 3.14Å
481	E	45.7	Very low	65.1	Low	87 Å²	87	76.2 Å²	76.2	41%	0.407	43%	0.432	S	S	.	.	G	3₁₀ helix	trans	-76.3	-25.1	177.9	-69.7	-177.5	171.4	0	0	112.2	K475 D478 N479 N483 Q484	K475-E481 IonicContact NZ-OE1 2.71Å; K475-E481 PolarHBondContact NZ-OE1 3.42Å; K475-E481 IonicContact NZ-OE2 3.86Å; K475-E481 PolarHBondContact NZ-OE2 2.87Å; D478-E481 PolarHBondContact O-N 3.38Å; N479-E481 VanDerWaalsContact C-N 3.34Å; E481-N483 VanDerWaalsContact C-N 3.26Å; E481-N483 PolarHBondContact O-N 2.91Å; E481-Q484 PolarHBondContact O-N 3Å
482	T	38.3	Very low	63.1	Low	70 Å²	70	80.8 Å²	80.8	43%	0.429	46%	0.458	S	S	.	.	G	3₁₀ helix	trans	-66.4	-22.4	179.6	8.4	0	0	0	0	114	N479	N479-T482 PolarHBondContact O-OG1 3.31Å
483	N	34.1	Very low	60.8	Low	139 Å²	139	86.1 Å²	86.1	74%	0.743	49%	0.488	S	S	*	.	G	3₁₀ helix	trans	-83.5	-6.6	178.4	-81.8	-12.1	0	0	0	114.1	E481	E481-N483 VanDerWaalsContact C-N 3.26Å; E481-N483 PolarHBondContact O-N 2.91Å
484	Q	35.6	Very low	58.1	Low	170 Å²	170	92.1 Å²	92.1	79%	0.794	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.8	-13.3	-179.3	-71.2	-173.7	1.2	0	0	114.4	E481	E481-Q484 PolarHBondContact O-N 3Å
485	Q	33.6	Very low	55.1	Low	169 Å²	169	99.1 Å²	99.1	79%	0.79	56%	0.562	S	S	*	*	S	Bend	trans	-97.8	2.6	176.4	-72.2	-178.6	-9.5	0	0	113.5
486	G	29.7	Very low	51.6	Low	74 Å²	74	103.8 Å²	103.8	76%	0.763	59%	0.593	S	S	*	*			trans	-115.4	19.7	-178.5	0	0	0	0	0	115.4
487	A	26.7	Very low	47.7	Very low	159 Å²	159	109 Å²	109	100%	1.314	63%	0.631	S	S	*	*			trans	-121.3	0	177	0	0	0	0	0	111.7

Retrieved 487 of 487 residues in 91.7 ms (Link to these results)

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