A0A077Z388_TRITR Loading...

peroxidase

AlphaFold DB , UniProt , Accession A0A077Z388, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 729 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	35.6	Very low	35.3	Very low	246 Å²	246	159.5 Å²	159.5	100%	1.212	78%	0.775	S	S	*	*				0	122.8	0	-77.8	173.4	158.7	0	0	107.4
2	K	39	Very low	35.3	Very low	205 Å²	205	156.7 Å²	156.7	89%	0.891	77%	0.765	S	S	*	*			cis	-136.5	143.6	-0.4	-84.9	174.7	172.5	175.8	0	107.6
3	M	31.6	Very low	35.3	Very low	183 Å²	183	155.6 Å²	155.6	90%	0.901	76%	0.764	S	S	*	*			trans	-63.8	146.3	179.2	-72.2	152.4	123.9	0	0	113.6
4	R	31.7	Very low	35.2	Very low	223 Å²	223	152.1 Å²	152.1	84%	0.842	76%	0.756	S	S	*	*			trans	18.9	166	132.4	-77.8	-175.2	-177.3	-172.3	1.6	119.9
5	P	36.6	Very low	35.1	Very low	79 Å²	79	147.3 Å²	147.3	51%	0.513	75%	0.75	S	S	.	*			cis	-141.6	149.9	13.1	23.9	1.5	0	0	0	115.2	H7	P5-H7 HydrophobicContact CB-CB 4.23Å; P5-H7 HydrophobicContact CG-CB 4.18Å; P5-H7 VanDerWaalsContact CG-CD2 3.48Å; P5-H7 WeakPolarHBondContact CG-CD2 3.48Å; P5-H7 PolarHBondContact O-N 3.03Å
6	I	35.5	Very low	35.1	Very low	149 Å²	149	150.1 Å²	150.1	76%	0.764	76%	0.756	S	S	*	*				39.4	17.5	75.3	-51.4	176.8	0	0	0	116.7
7	H	34.8	Very low	34.9	Very low	129 Å²	129	147.7 Å²	147.7	60%	0.597	76%	0.756	S	S	*	*			trans	-117.2	5.7	176.5	-78.8	-34	0	0	0	116.9	P5	P5-H7 HydrophobicContact CB-CB 4.23Å; P5-H7 HydrophobicContact CG-CB 4.18Å; P5-H7 VanDerWaalsContact CG-CD2 3.48Å; P5-H7 WeakPolarHBondContact CG-CD2 3.48Å; P5-H7 PolarHBondContact O-N 3.03Å
8	L	35.2	Very low	34.8	Very low	151 Å²	151	145.5 Å²	145.5	79%	0.791	76%	0.756	S	S	*	*	S	Bend	trans	-96.5	-11.8	178	-124.8	77.5	0	0	0	115.5
9	L	35.1	Very low	34.9	Very low	147 Å²	147	141.9 Å²	141.9	77%	0.77	74%	0.744	S	S	*	*	S	Bend	trans	-93.1	-7.9	-174.6	-136.8	81.7	0	0	0	114.7
10	I	37.8	Very low	35.4	Very low	120 Å²	120	146 Å²	146	62%	0.615	75%	0.749	S	S	*	*	S	Bend	trans	-100.3	-17.3	-177.2	-63.5	177.3	0	0	0	112.2
11	I	35.8	Very low	35.9	Very low	123 Å²	123	146.8 Å²	146.8	63%	0.631	75%	0.75	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.3	-16.6	-179.1	-59.8	177.6	0	0	0	112.4
12	L	34.8	Very low	36.7	Very low	125 Å²	125	136.3 Å²	136.3	65%	0.654	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84	-10	175.9	-82.6	155.5	0	0	0	114
13	L	35.4	Very low	38.2	Very low	143 Å²	143	128.5 Å²	128.5	75%	0.749	67%	0.669	S	S	*	*	S	Bend	trans	-96.9	-3.8	-177.2	-78.2	160.7	0	0	0	114.3
14	T	34.5	Very low	40.5	Very low	106 Å²	106	124 Å²	124	65%	0.65	65%	0.652	S	S	*	*	S	Bend	trans	-111.9	3.2	178.7	54.8	0	0	0	0	114.2
15	A	33.8	Very low	42.8	Very low	81 Å²	81	122.6 Å²	122.6	67%	0.669	65%	0.647	S	S	*	*	S	Bend	trans	-98.9	5.1	-177.3	0	0	0	0	0	114.8
16	F	35.2	Very low	45	Very low	192 Å²	192	123 Å²	123	84%	0.842	65%	0.645	S	S	*	*	S	Bend	trans	-96.9	11.2	-178.5	-85.8	-81.6	0	0	0	115.1
17	S	31.8	Very low	47.2	Very low	109 Å²	109	120.2 Å²	120.2	76%	0.762	63%	0.627	S	S	*	*			trans	-104.9	24.1	-170.4	53.5	0	0	0	0	116.1
18	S	32.6	Very low	49.4	Very low	108 Å²	108	115.9 Å²	115.9	76%	0.755	61%	0.606	S	S	*	*			trans	-137.9	51.3	-180	178.4	0	0	0	0	114.2	R20	S18-R20 PolarHBondContact O-N 3.32Å
19	C	35.9	Very low	51.8	Low	78 Å²	78	111.7 Å²	111.7	53%	0.527	59%	0.588	S	S	.	*	S	Bend	trans	-75.2	112.5	143.2	-79.3	0	0	0	0	105.5	E21	C19-E21 PolarHBondContact O-N 3.31Å
20	R	44.6	Very low	53.9	Low	222 Å²	222	109.4 Å²	109.4	84%	0.838	57%	0.572	S	S	*	*			trans	-53.9	113.6	-177.9	-163.8	179.7	-170.9	-176.8	1.7	107.8	S18	S18-R20 PolarHBondContact O-N 3.32Å
21	E	46.8	Very low	55.6	Low	164 Å²	164	107.6 Å²	107.6	77%	0.766	58%	0.575	S	S	*	*			trans	-52.9	143.4	172.1	-67.6	-177.1	168	0	0	108.3	C19 V23	C19-E21 PolarHBondContact O-N 3.31Å; E21-V23 PolarHBondContact O-N 2.74Å
22	P	53.5	Low	57.3	Low	26 Å²	26	109 Å²	109	17%	0.169	58%	0.584	C	S	.	*			trans	-50.3	137.5	175.9	20.1	-30.8	0	0	0	108.9	T24 E39 W40	P22-T24 HydrophobicContact CG-CG2 4.31Å; P22-T24 VanDerWaalsContact O-CG2 3.28Å; P22-T24 WeakPolarHBondContact O-CG2 3.32Å; P22-T24 PolarHBondContact O-N 2.9Å; P22-E39 VanDerWaalsContact CA-OE1 3.29Å; P22-E39 WeakPolarHBondContact CA-OE1 3.38Å; P22-E39 HydrophobicContact CB-CG 4.1Å; P22-E39 VanDerWaalsContact CB-OE1 3.29Å; P22-E39 WeakPolarHBondContact CB-OE1 3.49Å; P22-W40 HydrophobicContact CB-CZ2 4.47Å
23	V	70.5	Confident	59.2	Low	40 Å²	40	110 Å²	110	24%	0.242	59%	0.59	C	S	.	*			trans	-67.8	106.6	177.1	-177.7	0	0	0	0	106.6	E21 R25 F27 H37 H38 E39	E21-V23 PolarHBondContact O-N 2.74Å; V23-R25 WeakPolarHBondContact CG1-O 3.46Å; V23-F27 HydrophobicContact CB-CB 4.2Å; V23-F27 HydrophobicContact CB-CD2 3.9Å; V23-F27 HydrophobicContact CG1-CB 3.85Å; V23-F27 HydrophobicContact CG1-CD2 4.22Å; V23-F27 HydrophobicContact CG2-CD2 4.33Å; V23-H37 VanDerWaalsContact O-O 3.11Å; V23-H38 CarbonylContact O-C 3.59Å; V23-H38 VanDerWaalsContact O-CA 3.28Å; V23-H38 WeakPolarHBondContact O-CA 3.5Å; V23-E39 PolarHBondContact O-N 2.85Å
24	T	78	Confident	61.6	Low	90 Å²	90	103.7 Å²	103.7	55%	0.552	56%	0.558	S	S	*	*			trans	-101.6	1.9	-177.3	58.3	0	0	0	0	113.1	P22 H37	P22-T24 HydrophobicContact CG-CG2 4.31Å; P22-T24 VanDerWaalsContact O-CG2 3.28Å; P22-T24 WeakPolarHBondContact O-CG2 3.32Å; P22-T24 PolarHBondContact O-N 2.9Å; T24-H37 CarbonylContact C-O 3.59Å; T24-H37 WeakPolarHBondContact CA-O 3.07Å
25	R	81.3	Confident	64.1	Low	192 Å²	192	98.9 Å²	98.9	73%	0.725	53%	0.528	S	S	*	.	S	Bend	trans	-140.4	132.6	172.9	-163.8	175.3	-176.6	-174.1	1.4	111.6	V23 F27 H37	V23-R25 WeakPolarHBondContact CG1-O 3.46Å; R25-F27 PolarHBondContact O-N 2.94Å; R25-H37 CarbonylContact C-O 3.47Å; R25-H37 VanDerWaalsContact CA-O 3.31Å; R25-H37 WeakPolarHBondContact CA-O 3.25Å; R25-H37 PolarHBondContact N-O 3.09Å
26	N	81.4	Confident	66.8	Low	88 Å²	88	95.1 Å²	95.1	47%	0.471	50%	0.497	S	S	.	.	S	Bend	trans	52	36.8	174.6	-59.3	-8.3	0	0	0	113.6	R28 H37	N26-R28 VanDerWaalsContact C-N 3.28Å; N26-R28 PolarHBondContact O-N 3.43Å; N26-H37 PolarHBondContact N-ND1 3.18Å; N26-H37 PolarHBondContact OD1-CE1 2.92Å; N26-H37 PolarHBondContact OD1-ND1 2.97Å; N26-H37 VanDerWaalsContact OD1-ND1 3.16Å
27	F	82.4	Confident	69.2	Low	91 Å²	91	87.8 Å²	87.8	40%	0.399	47%	0.465	S	S	.	.	S	Bend	trans	-55	-44.3	179.2	169.7	-107.2	0	0	0	112.3	V23 R25 D36 E39	V23-F27 HydrophobicContact CB-CB 4.2Å; V23-F27 HydrophobicContact CB-CD2 3.9Å; V23-F27 HydrophobicContact CG1-CB 3.85Å; V23-F27 HydrophobicContact CG1-CD2 4.22Å; V23-F27 HydrophobicContact CG2-CD2 4.33Å; R25-F27 PolarHBondContact O-N 2.94Å; F27-D36 WeakPolarHBondContact CA-O 3.4Å; F27-D36 WeakPolarHBondContact CB-O 3.25Å; F27-D36 PolarHBondContact N-O 2.65Å; F27-E39 VanDerWaalsContact CD1-CA 3.48Å; F27-E39 HydrophobicContact CD1-CB 4.08Å; F27-E39 HydrophobicContact CD2-CB 3.42Å; F27-E39 VanDerWaalsContact CD2-CB 3.42Å; F27-E39 HydrophobicContact CE1-CB 4.03Å; F27-E39 HydrophobicContact CE2-CB 3.35Å; F27-E39 HydrophobicContact CG-CB 3.76Å; F27-E39 HydrophobicContact CZ-CB 3.66Å
28	R	80.6	Confident	71.7	Confident	38 Å²	38	83.5 Å²	83.5	14%	0.143	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	122.3	175.1	-176	-174.5	176.4	-168.8	0.9	108.1	N26 C35 D36 I63 N376	N26-R28 VanDerWaalsContact C-N 3.28Å; N26-R28 PolarHBondContact O-N 3.43Å; R28-C35 CarbonylContact O-C 3.49Å; R28-C35 WeakPolarHBondContact O-CA 3.28Å; R28-D36 HydrophobicContact CB-CB 4.31Å; R28-D36 PolarHBondContact N-O 3.48Å; R28-D36 PolarHBondContact O-N 2.93Å; R28-I63 HydrophobicContact CB-CD1 4.19Å; R28-I63 HydrophobicContact CG-CD1 3.79Å; R28-I63 WeakPolarHBondContact O-CD1 3.37Å; R28-N376 PolarHBondContact NH1-ND2 3.04Å
29	C	85.6	Confident	73.9	Confident	63 Å²	63	80.8 Å²	80.8	43%	0.426	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	143.5	178.4	-66.9	0	0	0	0	110.9	C34 C35	C29-C34 CarbonylContact C-O 3.19Å; C29-C34 WeakPolarHBondContact CA-O 3.44Å; C29-C35 HydrophobicContact CB-CB 4.13Å; C29-C35 WeakPolarHBondContact CB-SG 3.47Å; C29-C35 WeakPolarHBondContact SG-CB 3.45Å; C29-C35 CovalentContact SG-SG 2.04Å; C29-C35 PolarHBondContact SG-SG 3.2Å
30	K	79.1	Confident	75.9	Confident	99 Å²	99	79.1 Å²	79.1	43%	0.43	39%	0.391	S	S	.	.			trans	-106.2	-179.5	163.6	-65.8	-176.1	-174.8	175.1	0	109	C34 I63	K30-C34 PolarHBondContact N-O 3.47Å; K30-I63 HydrophobicContact CG-CD1 4.06Å
31	A	73.3	Confident	77.6	Confident	81 Å²	81	68.6 Å²	68.6	67%	0.669	35%	0.351	S	S	*	.	S	Bend	trans	-54.4	160.9	171.1	0	0	0	0	0	111.9
32	N	73.3	Confident	78.8	Confident	154 Å²	154	62.7 Å²	62.7	82%	0.824	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.5	36.4	178	-56.3	-13	0	0	0	115.4	C34	N32-C34 PolarHBondContact O-N 3.03Å
33	N	74.6	Confident	79.5	Confident	146 Å²	146	64 Å²	64	78%	0.781	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.5	19.6	179.7	-75.7	-14.5	0	0	0	114.9	C35	N33-C35 PolarHBondContact O-N 3.4Å
34	C	85.6	Confident	80	Confident	10 Å²	10	64.3 Å²	64.3	7%	0.068	32%	0.324	C	S	.	.			trans	-78.8	106.5	173.3	-175.3	0	0	0	0	110.1	C29 K30 N32 M62 C68	C29-C34 CarbonylContact C-O 3.19Å; C29-C34 WeakPolarHBondContact CA-O 3.44Å; K30-C34 PolarHBondContact N-O 3.47Å; N32-C34 PolarHBondContact O-N 3.03Å; C34-M62 VanDerWaalsContact SG-CB 3.53Å; C34-C68 HydrophobicContact CB-CB 3.51Å; C34-C68 WeakPolarHBondContact CB-SG 3.28Å; C34-C68 WeakPolarHBondContact SG-CA 3.46Å; C34-C68 WeakPolarHBondContact SG-CB 3.36Å; C34-C68 CovalentContact SG-SG 2Å; C34-C68 PolarHBondContact SG-SG 3.1Å
35	C	86.7	Confident	79.9	Confident	5 Å²	5	61.1 Å²	61.1	3%	0.034	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	141.4	-174.6	-61.5	0	0	0	0	112.6	R28 C29 N33 M62	R28-C35 CarbonylContact O-C 3.49Å; R28-C35 WeakPolarHBondContact O-CA 3.28Å; C29-C35 HydrophobicContact CB-CB 4.13Å; C29-C35 WeakPolarHBondContact CB-SG 3.47Å; C29-C35 WeakPolarHBondContact SG-CB 3.45Å; C29-C35 CovalentContact SG-SG 2.04Å; C29-C35 PolarHBondContact SG-SG 3.2Å; N33-C35 PolarHBondContact O-N 3.4Å; C35-M62 WeakPolarHBondContact O-CB 3.08Å; C35-M62 PolarHBondContact O-N 2.8Å; C35-M62 VanDerWaalsContact O-N 3.11Å
36	D	89.3	Confident	78.9	Confident	2 Å²	2	54.4 Å²	54.4	1%	0.011	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	111.2	148.4	-67.7	-15.7	0	0	0	106.8	F27 R28 C41 N60 C61 M62 I63 S64	F27-D36 WeakPolarHBondContact CA-O 3.4Å; F27-D36 WeakPolarHBondContact CB-O 3.25Å; F27-D36 PolarHBondContact N-O 2.65Å; R28-D36 HydrophobicContact CB-CB 4.31Å; R28-D36 PolarHBondContact N-O 3.48Å; R28-D36 PolarHBondContact O-N 2.93Å; D36-C41 HydrophobicContact CB-CB 3.74Å; D36-N60 CarbonylContact C-O 3.45Å; D36-C61 WeakPolarHBondContact OD1-CA 3.26Å; D36-M62 PolarHBondContact OD1-N 3.21Å; D36-I63 WeakPolarHBondContact OD1-CA 3.45Å; D36-I63 WeakPolarHBondContact OD1-CB 3.39Å; D36-I63 PolarHBondContact OD1-N 3.33Å; D36-S64 PolarHBondContact OD1-N 3.31Å; D36-S64 WeakPolarHBondContact OD2-CB 3.28Å; D36-S64 PolarHBondContact OD2-N 3.43Å; D36-S64 PolarHBondContact OD2-OG 3.11Å
37	H	87.4	Confident	77.9	Confident	38 Å²	38	52.6 Å²	52.6	18%	0.176	29%	0.286	C	S	.	.			trans	-76	-32.9	177.5	-67.9	-81.2	0	0	0	111.5	V23 T24 R25 N26 L59 N60	V23-H37 VanDerWaalsContact O-O 3.11Å; T24-H37 CarbonylContact C-O 3.59Å; T24-H37 WeakPolarHBondContact CA-O 3.07Å; R25-H37 CarbonylContact C-O 3.47Å; R25-H37 VanDerWaalsContact CA-O 3.31Å; R25-H37 WeakPolarHBondContact CA-O 3.25Å; R25-H37 PolarHBondContact N-O 3.09Å; N26-H37 PolarHBondContact N-ND1 3.18Å; N26-H37 PolarHBondContact OD1-CE1 2.92Å; N26-H37 PolarHBondContact OD1-ND1 2.97Å; N26-H37 VanDerWaalsContact OD1-ND1 3.16Å; H37-L59 PolarHBondContact CD2-O 3.36Å; H37-L59 VanDerWaalsContact CD2-O 3.31Å; H37-N60 WeakPolarHBondContact CA-O 3.32Å; H37-N60 HydrophobicContact CB-CB 4.42Å; H37-N60 WeakPolarHBondContact CB-O 3.46Å; H37-N60 PolarHBondContact N-O 2.99Å
38	H	83	Confident	77.2	Confident	19 Å²	19	48.9 Å²	48.9	9%	0.088	27%	0.274	C	S	.	.	S	Bend	trans	-103.5	143.2	178.6	-157.7	-87.5	0	0	0	113.1	V23 W40 C41 W44 W56	V23-H38 CarbonylContact O-C 3.59Å; V23-H38 VanDerWaalsContact O-CA 3.28Å; V23-H38 WeakPolarHBondContact O-CA 3.5Å; H38-W40 AromaticContact CE1-CD2 3.58Å; H38-W40 AromaticContact CE1-CE2 3.97Å; H38-W40 AromaticContact CE1-CE3 3.67Å; H38-W40 AromaticContact CE1-CG 3.86Å; H38-W40 AromaticContact ND1-CD2 3.98Å; H38-W40 AromaticContact ND1-CG 3.78Å; H38-W40 PolarHBondContact ND1-N 3.12Å; H38-W40 VanDerWaalsContact ND1-N 3.18Å; H38-W40 PolarHBondContact O-N 3.06Å; H38-W40 VanDerWaalsContact O-N 3.13Å; H38-C41 WeakPolarHBondContact O-CB 3.17Å; H38-C41 PolarHBondContact O-N 3.15Å; H38-C41 PolarHBondContact O-SG 2.85Å; H38-W44 HydrophobicContact CB-CH2 4.01Å; H38-W44 HydrophobicContact CB-CZ3 3.57Å; H38-W44 AromaticContact CD2-CH2 3.84Å; H38-W44 AromaticContact CE1-CH2 3.54Å; H38-W44 AromaticContact CG-CH2 3.42Å; H38-W44 VanDerWaalsContact CG-CH2 3.42Å; H38-W44 AromaticContact CG-CZ3 3.53Å; H38-W44 AromaticContact ND1-CH2 3.19Å; H38-W44 WeakPolarHBondContact ND1-CH2 3.17Å; H38-W44 AromaticContact ND1-CZ2 3.96Å; H38-W44 AromaticContact ND1-CZ3 3.52Å; H38-W44 AromaticContact NE2-CH2 3.92Å; H38-W56 HydrophobicContact CB-CH2 4.19Å
39	E	79.8	Confident	77.1	Confident	50 Å²	50	48.1 Å²	48.1	23%	0.234	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-10.4	178	64.1	168.8	176.6	0	0	115.9	P22 V23 F27	P22-E39 VanDerWaalsContact CA-OE1 3.29Å; P22-E39 WeakPolarHBondContact CA-OE1 3.38Å; P22-E39 HydrophobicContact CB-CG 4.1Å; P22-E39 VanDerWaalsContact CB-OE1 3.29Å; P22-E39 WeakPolarHBondContact CB-OE1 3.49Å; V23-E39 PolarHBondContact O-N 2.85Å; F27-E39 VanDerWaalsContact CD1-CA 3.48Å; F27-E39 HydrophobicContact CD1-CB 4.08Å; F27-E39 HydrophobicContact CD2-CB 3.42Å; F27-E39 VanDerWaalsContact CD2-CB 3.42Å; F27-E39 HydrophobicContact CE1-CB 4.03Å; F27-E39 HydrophobicContact CE2-CB 3.35Å; F27-E39 HydrophobicContact CG-CB 3.76Å; F27-E39 HydrophobicContact CZ-CB 3.66Å
40	W	77.6	Confident	76.9	Confident	44 Å²	44	45.8 Å²	45.8	17%	0.167	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.3	6.2	178.5	-55.1	-18.2	0	0	0	114.2	P22 H38 E42 F43 W44 F564	P22-W40 HydrophobicContact CB-CZ2 4.47Å; H38-W40 AromaticContact CE1-CD2 3.58Å; H38-W40 AromaticContact CE1-CE2 3.97Å; H38-W40 AromaticContact CE1-CE3 3.67Å; H38-W40 AromaticContact CE1-CG 3.86Å; H38-W40 AromaticContact ND1-CD2 3.98Å; H38-W40 AromaticContact ND1-CG 3.78Å; H38-W40 PolarHBondContact ND1-N 3.12Å; H38-W40 VanDerWaalsContact ND1-N 3.18Å; H38-W40 PolarHBondContact O-N 3.06Å; H38-W40 VanDerWaalsContact O-N 3.13Å; W40-E42 PolarHBondContact O-N 3.33Å; W40-F43 PolarHBondContact O-N 2.98Å; W40-W44 HydrophobicContact CB-CD2 3.96Å; W40-W44 HydrophobicContact CB-CE3 4.25Å; W40-W44 HydrophobicContact CB-CH2 4.25Å; W40-W44 HydrophobicContact CB-CZ2 3.98Å; W40-W44 HydrophobicContact CB-CZ3 4.35Å; W40-W44 HydrophobicContact CD2-CZ2 4.31Å; W40-W44 AromaticContact CE3-CE2 3.95Å; W40-W44 HydrophobicContact CE3-CH2 4.27Å; W40-W44 AromaticContact CE3-CZ2 3.47Å; W40-W44 HydrophobicContact CE3-CZ2 3.47Å; W40-W44 VanDerWaalsContact CE3-CZ2 3.47Å; W40-W44 HydrophobicContact CZ3-CZ2 4.21Å; W40-W44 WeakPolarHBondContact O-CB 3.09Å; W40-W44 PolarHBondContact O-N 2.7Å; W40-F564 WeakPolarHBondContact CH2-O 3.25Å; W40-F564 VanDerWaalsContact CZ2-C 3.48Å; W40-F564 WeakPolarHBondContact CZ2-O 3.14Å
41	C	80.8	Confident	76.7	Confident	1 Å²	1	44.9 Å²	44.9	1%	0.007	26%	0.256	C	S	.	.	H	α-helix	trans	-49	-37.3	177.9	-78.2	0	0	0	0	113.5	D36 H38 A45 N60 C61 S64	D36-C41 HydrophobicContact CB-CB 3.74Å; H38-C41 WeakPolarHBondContact O-CB 3.17Å; H38-C41 PolarHBondContact O-N 3.15Å; H38-C41 PolarHBondContact O-SG 2.85Å; C41-A45 VanDerWaalsContact O-CB 3.23Å; C41-A45 WeakPolarHBondContact O-CB 3.34Å; C41-A45 PolarHBondContact O-N 2.51Å; C41-N60 PolarHBondContact SG-O 2.87Å; C41-C61 WeakPolarHBondContact CA-SG 3.29Å; C41-C61 HydrophobicContact CB-CB 3.38Å; C41-C61 WeakPolarHBondContact CB-SG 3.34Å; C41-C61 WeakPolarHBondContact SG-CA 3.25Å; C41-C61 WeakPolarHBondContact SG-CB 3.49Å; C41-C61 CovalentContact SG-SG 2.02Å; C41-C61 PolarHBondContact SG-SG 2.91Å; C41-S64 WeakPolarHBondContact O-CB 3.29Å
42	E	70.2	Confident	75.9	Confident	39 Å²	39	42.2 Å²	42.2	18%	0.182	23%	0.232	C	C	.	.	H	α-helix	trans	-71.9	-44.2	-179.7	-178.2	176.1	152.5	0	0	113.1	W40 A45 G46 S64 N376 N378	W40-E42 PolarHBondContact O-N 3.33Å; E42-A45 WeakPolarHBondContact O-CB 3.18Å; E42-A45 PolarHBondContact O-N 2.81Å; E42-G46 PolarHBondContact O-N 2.76Å; E42-S64 WeakPolarHBondContact CA-OG 3.37Å; E42-S64 PolarHBondContact N-OG 2.77Å; E42-N376 WeakPolarHBondContact CG-ND2 3.28Å; E42-N376 VanDerWaalsContact OE1-CA 3.29Å; E42-N376 WeakPolarHBondContact OE1-CA 3.47Å; E42-N376 WeakPolarHBondContact OE1-CB 3.48Å; E42-N376 PolarHBondContact OE1-ND2 3.1Å; E42-N376 PolarHBondContact OE1-OD1 3.35Å; E42-N376 VanDerWaalsContact OE2-CB 3.27Å; E42-N376 WeakPolarHBondContact OE2-CB 3.45Å; E42-N376 PolarHBondContact OE2-ND2 3.3Å; E42-N378 WeakPolarHBondContact CG-ND2 3.49Å; E42-N378 WeakPolarHBondContact CG-OD1 3.48Å; E42-N378 PolarHBondContact OE1-ND2 2.9Å; E42-N378 PolarHBondContact OE1-OD1 3.12Å; E42-N378 VanDerWaalsContact OE1-OD1 3.13Å
43	F	69.6	Low	75.7	Confident	53 Å²	53	36.1 Å²	36.1	23%	0.232	20%	0.199	C	C	.	.	H	α-helix	trans	-61.7	-49.8	175.3	163.3	-106.3	0	0	0	110.2	W40 A45 G46 I47 L526	W40-F43 PolarHBondContact O-N 2.98Å; F43-A45 VanDerWaalsContact C-N 3.31Å; F43-A45 PolarHBondContact O-N 2.81Å; F43-G46 PolarHBondContact O-N 2.94Å; F43-G46 VanDerWaalsContact O-N 3.07Å; F43-I47 HydrophobicContact CD2-CG2 4.17Å; F43-I47 HydrophobicContact CE1-CD1 3.82Å; F43-I47 HydrophobicContact CE2-CG2 3.67Å; F43-I47 HydrophobicContact CZ-CD1 3.89Å; F43-I47 HydrophobicContact CZ-CG2 3.96Å; F43-I47 PolarHBondContact O-N 2.8Å; F43-L526 HydrophobicContact CB-CD1 3.95Å; F43-L526 HydrophobicContact CB-CD2 4.16Å; F43-L526 HydrophobicContact CD1-CD1 4.02Å; F43-L526 HydrophobicContact CD2-CD1 4.05Å; F43-L526 HydrophobicContact CD2-CD2 3.33Å; F43-L526 HydrophobicContact CD2-CG 4.35Å; F43-L526 HydrophobicContact CE2-CD2 3.86Å; F43-L526 HydrophobicContact CG-CD1 3.72Å; F43-L526 HydrophobicContact CG-CD2 3.83Å; F43-L526 HydrophobicContact CG-CG 4.43Å
44	W	79.4	Confident	76	Confident	48 Å²	48	30.2 Å²	30.2	18%	0.182	17%	0.171	C	C	.	.	H	α-helix	trans	-54.8	-48.7	175.4	-68.6	-27.2	0	0	0	110.2	H38 W40 G46 I47 G48 E49 W56 M57	H38-W44 HydrophobicContact CB-CH2 4.01Å; H38-W44 HydrophobicContact CB-CZ3 3.57Å; H38-W44 AromaticContact CD2-CH2 3.84Å; H38-W44 AromaticContact CE1-CH2 3.54Å; H38-W44 AromaticContact CG-CH2 3.42Å; H38-W44 VanDerWaalsContact CG-CH2 3.42Å; H38-W44 AromaticContact CG-CZ3 3.53Å; H38-W44 AromaticContact ND1-CH2 3.19Å; H38-W44 WeakPolarHBondContact ND1-CH2 3.17Å; H38-W44 AromaticContact ND1-CZ2 3.96Å; H38-W44 AromaticContact ND1-CZ3 3.52Å; H38-W44 AromaticContact NE2-CH2 3.92Å; W40-W44 HydrophobicContact CB-CD2 3.96Å; W40-W44 HydrophobicContact CB-CE3 4.25Å; W40-W44 HydrophobicContact CB-CH2 4.25Å; W40-W44 HydrophobicContact CB-CZ2 3.98Å; W40-W44 HydrophobicContact CB-CZ3 4.35Å; W40-W44 HydrophobicContact CD2-CZ2 4.31Å; W40-W44 AromaticContact CE3-CE2 3.95Å; W40-W44 HydrophobicContact CE3-CH2 4.27Å; W40-W44 AromaticContact CE3-CZ2 3.47Å; W40-W44 HydrophobicContact CE3-CZ2 3.47Å; W40-W44 VanDerWaalsContact CE3-CZ2 3.47Å; W40-W44 HydrophobicContact CZ3-CZ2 4.21Å; W40-W44 WeakPolarHBondContact O-CB 3.09Å; W40-W44 PolarHBondContact O-N 2.7Å; W44-G46 VanDerWaalsContact C-N 3.34Å; W44-G46 PolarHBondContact O-N 3Å; W44-I47 WeakPolarHBondContact O-CG1 3.26Å; W44-I47 PolarHBondContact O-N 3.29Å; W44-G48 PolarHBondContact O-N 2.85Å; W44-E49 VanDerWaalsContact C-CB 3.48Å; W44-E49 HydrophobicContact CB-CB 3.66Å; W44-E49 HydrophobicContact CB-CG 3.71Å; W44-E49 HydrophobicContact CG-CG 4.23Å; W44-E49 WeakPolarHBondContact O-CA 3.41Å; W44-E49 WeakPolarHBondContact O-CB 3.45Å; W44-E49 WeakPolarHBondContact O-CG 3.46Å; W44-E49 PolarHBondContact O-N 3.03Å; W44-W56 HydrophobicContact CE3-CH2 4.29Å; W44-W56 AromaticContact CE3-CZ3 3.8Å; W44-W56 HydrophobicContact CE3-CZ3 3.8Å; W44-W56 AromaticContact CH2-CH2 3.88Å; W44-W56 HydrophobicContact CH2-CH2 3.88Å; W44-W56 HydrophobicContact CH2-CZ3 4.17Å; W44-W56 AromaticContact CZ3-CH2 3.39Å; W44-W56 HydrophobicContact CZ3-CH2 3.39Å; W44-W56 AromaticContact CZ3-CZ3 3.36Å; W44-W56 HydrophobicContact CZ3-CZ3 3.36Å; W44-M57 HydrophobicContact CB-CE 3.56Å; W44-M57 HydrophobicContact CB-SD 4.02Å; W44-M57 HydrophobicContact CE3-CE 4.49Å; W44-M57 HydrophobicContact CE3-SD 3.95Å
45	A	76.9	Confident	75.6	Confident	23 Å²	23	34.5 Å²	34.5	19%	0.19	20%	0.201	C	C	.	.	H	α-helix	trans	-57.1	-44.1	174.5	0	0	0	0	0	113.3	C41 E42 F43 I47 G48 C50	C41-A45 VanDerWaalsContact O-CB 3.23Å; C41-A45 WeakPolarHBondContact O-CB 3.34Å; C41-A45 PolarHBondContact O-N 2.51Å; E42-A45 WeakPolarHBondContact O-CB 3.18Å; E42-A45 PolarHBondContact O-N 2.81Å; F43-A45 VanDerWaalsContact C-N 3.31Å; F43-A45 PolarHBondContact O-N 2.81Å; A45-I47 VanDerWaalsContact C-N 3.32Å; A45-I47 PolarHBondContact O-N 3Å; A45-G48 WeakPolarHBondContact O-CA 3.2Å; A45-G48 PolarHBondContact O-N 2.84Å; A45-C50 WeakPolarHBondContact CA-SG 3.42Å; A45-C50 WeakPolarHBondContact CB-SG 3.48Å
46	G	59.9	Low	75.6	Confident	50 Å²	50	38.9 Å²	38.9	52%	0.515	22%	0.217	S	C	.	.	H	α-helix	trans	-66.1	-27.8	179.8	0	0	0	0	0	114.4	E42 F43 W44 G48	E42-G46 PolarHBondContact O-N 2.76Å; F43-G46 PolarHBondContact O-N 2.94Å; F43-G46 VanDerWaalsContact O-N 3.07Å; W44-G46 VanDerWaalsContact C-N 3.34Å; W44-G46 PolarHBondContact O-N 3Å; G46-G48 VanDerWaalsContact C-N 3.31Å
47	I	60.9	Low	75.5	Confident	50 Å²	50	38.9 Å²	38.9	26%	0.256	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.9	6	171.2	68.1	169.4	0	0	0	113.1	F43 W44 A45 E49	F43-I47 HydrophobicContact CD2-CG2 4.17Å; F43-I47 HydrophobicContact CE1-CD1 3.82Å; F43-I47 HydrophobicContact CE2-CG2 3.67Å; F43-I47 HydrophobicContact CZ-CD1 3.89Å; F43-I47 HydrophobicContact CZ-CG2 3.96Å; F43-I47 PolarHBondContact O-N 2.8Å; W44-I47 WeakPolarHBondContact O-CG1 3.26Å; W44-I47 PolarHBondContact O-N 3.29Å; A45-I47 VanDerWaalsContact C-N 3.32Å; A45-I47 PolarHBondContact O-N 3Å; I47-E49 HydrophobicContact CD1-CG 4.13Å; I47-E49 HydrophobicContact CG1-CG 3.99Å
48	G	67.9	Low	75.5	Confident	14 Å²	14	44.4 Å²	44.4	14%	0.144	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	96.8	7.6	175.2	0	0	0	0	0	115.7	W44 A45 G46 C50 D51 T52	W44-G48 PolarHBondContact O-N 2.85Å; A45-G48 WeakPolarHBondContact O-CA 3.2Å; A45-G48 PolarHBondContact O-N 2.84Å; G46-G48 VanDerWaalsContact C-N 3.31Å; G48-C50 PolarHBondContact O-N 2.9Å; G48-C50 VanDerWaalsContact O-N 3.08Å; G48-D51 PolarHBondContact O-N 2.87Å; G48-D51 VanDerWaalsContact O-N 3.12Å; G48-T52 WeakPolarHBondContact O-CG2 3.39Å; G48-T52 PolarHBondContact O-N 2.96Å
49	E	77.5	Confident	75.5	Confident	21 Å²	21	49 Å²	49	10%	0.098	26%	0.26	C	S	.	.	H	α-helix	trans	-61.4	-24.3	-173.5	-70.4	-70.5	167.5	0	0	113.8	W44 I47 D51 T52 N53 M57 S266	W44-E49 VanDerWaalsContact C-CB 3.48Å; W44-E49 HydrophobicContact CB-CB 3.66Å; W44-E49 HydrophobicContact CB-CG 3.71Å; W44-E49 HydrophobicContact CG-CG 4.23Å; W44-E49 WeakPolarHBondContact O-CA 3.41Å; W44-E49 WeakPolarHBondContact O-CB 3.45Å; W44-E49 WeakPolarHBondContact O-CG 3.46Å; W44-E49 PolarHBondContact O-N 3.03Å; I47-E49 HydrophobicContact CD1-CG 4.13Å; I47-E49 HydrophobicContact CG1-CG 3.99Å; E49-D51 PolarHBondContact O-N 3.29Å; E49-T52 WeakPolarHBondContact O-CB 3.31Å; E49-T52 PolarHBondContact O-N 2.68Å; E49-T52 VanDerWaalsContact OE2-CB 3.28Å; E49-T52 WeakPolarHBondContact OE2-CB 3.37Å; E49-T52 PolarHBondContact OE2-OG1 2.77Å; E49-N53 PolarHBondContact O-N 3.24Å; E49-M57 HydrophobicContact CB-CE 3.83Å; E49-M57 HydrophobicContact CB-CG 4.07Å; E49-M57 HydrophobicContact CB-SD 4.01Å; E49-M57 WeakPolarHBondContact O-CG 3.32Å; E49-S266 PolarHBondContact OE1-OG 3.1Å
50	C	81.1	Confident	76	Confident	14 Å²	14	48.3 Å²	48.3	10%	0.095	26%	0.258	C	S	.	.	H	α-helix	trans	-62.4	-31.6	177.8	-66.1	0	0	0	0	114.3	A45 G48 A54 C65	A45-C50 WeakPolarHBondContact CA-SG 3.42Å; A45-C50 WeakPolarHBondContact CB-SG 3.48Å; G48-C50 PolarHBondContact O-N 2.9Å; G48-C50 VanDerWaalsContact O-N 3.08Å; C50-A54 WeakPolarHBondContact O-CA 3.3Å; C50-A54 WeakPolarHBondContact O-CB 3.16Å; C50-C65 WeakPolarHBondContact CA-SG 3.38Å; C50-C65 HydrophobicContact CB-CB 3.46Å; C50-C65 VanDerWaalsContact CB-CB 3.46Å; C50-C65 WeakPolarHBondContact CB-SG 3.49Å; C50-C65 WeakPolarHBondContact SG-CA 3.47Å; C50-C65 WeakPolarHBondContact SG-CB 3.3Å; C50-C65 CovalentContact SG-SG 2.02Å; C50-C65 PolarHBondContact SG-SG 2.89Å
51	D	75	Confident	76.6	Confident	81 Å²	81	46.2 Å²	46.2	43%	0.433	25%	0.25	S	S	.	.	H	α-helix	trans	-89.3	-41.3	174.7	-60.2	-35.6	0	0	0	109.8	G48 E49 R146	G48-D51 PolarHBondContact O-N 2.87Å; G48-D51 VanDerWaalsContact O-N 3.12Å; E49-D51 PolarHBondContact O-N 3.29Å; D51-R146 IonicContact OD1-NH2 3.93Å; D51-R146 IonicContact OD2-CZ 3.67Å; D51-R146 IonicContact OD2-NE 3.42Å; D51-R146 IonicContact OD2-NH2 3.65Å; D51-R146 PolarHBondContact OD2-NH2 3.21Å
52	T	56.6	Low	77.1	Confident	25 Å²	25	48.7 Å²	48.7	15%	0.153	26%	0.262	C	S	.	.	H	α-helix	trans	-56.8	-59.7	178.9	163.5	0	0	0	0	114.4	G48 E49 Q153	G48-T52 WeakPolarHBondContact O-CG2 3.39Å; G48-T52 PolarHBondContact O-N 2.96Å; E49-T52 WeakPolarHBondContact O-CB 3.31Å; E49-T52 PolarHBondContact O-N 2.68Å; E49-T52 VanDerWaalsContact OE2-CB 3.28Å; E49-T52 WeakPolarHBondContact OE2-CB 3.37Å; E49-T52 PolarHBondContact OE2-OG1 2.77Å; T52-Q153 HydrophobicContact CG2-CG 3.94Å
53	N	70.3	Confident	77.9	Confident	25 Å²	25	47.4 Å²	47.4	13%	0.134	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.6	46.5	-170.7	-168.1	-2.9	0	0	0	107.9	E49 S55 W56 M57 D267	E49-N53 PolarHBondContact O-N 3.24Å; N53-S55 PolarHBondContact O-N 3.07Å; N53-S55 VanDerWaalsContact O-N 3.13Å; N53-W56 PolarHBondContact O-N 2.56Å; N53-W56 VanDerWaalsContact O-N 3.1Å; N53-W56 WeakPolarHBondContact OD1-CB 3.33Å; N53-M57 HydrophobicContact CB-CG 4.01Å; N53-M57 VanDerWaalsContact O-CB 3.23Å; N53-M57 WeakPolarHBondContact O-CB 3.46Å; N53-M57 VanDerWaalsContact O-CG 3.28Å; N53-M57 WeakPolarHBondContact O-CG 3.03Å; N53-M57 PolarHBondContact O-N 2.86Å; N53-D267 HydrophobicContact CB-CB 4.02Å
54	A	81.1	Confident	78.7	Confident	23 Å²	23	46.1 Å²	46.1	19%	0.19	26%	0.255	C	S	.	.	H	α-helix	trans	-56.8	-34.2	-167.9	0	0	0	0	0	112.9	C50 R58	C50-A54 WeakPolarHBondContact O-CA 3.3Å; C50-A54 WeakPolarHBondContact O-CB 3.16Å; A54-R58 WeakPolarHBondContact O-CA 3.06Å; A54-R58 WeakPolarHBondContact O-CB 3.05Å; A54-R58 WeakPolarHBondContact O-CD 3.36Å; A54-R58 WeakPolarHBondContact O-CG 3.31Å; A54-R58 PolarHBondContact O-N 3.32Å
55	S	77.3	Confident	79	Confident	99 Å²	99	45.4 Å²	45.4	69%	0.692	26%	0.257	S	S	*	.	H	α-helix	trans	-65	-49.9	177	53.9	0	0	0	0	111.6	N53 L59	N53-S55 PolarHBondContact O-N 3.07Å; N53-S55 VanDerWaalsContact O-N 3.13Å; S55-L59 WeakPolarHBondContact O-CB 3.49Å; S55-L59 PolarHBondContact O-N 2.81Å
56	W	87	Confident	79.1	Confident	97 Å²	97	46.6 Å²	46.6	37%	0.367	26%	0.262	S	S	.	.	H	α-helix	trans	-70.5	-43.7	178.1	-167.1	94.4	0	0	0	111.2	H38 W44 N53 L59 N60	H38-W56 HydrophobicContact CB-CH2 4.19Å; W44-W56 HydrophobicContact CE3-CH2 4.29Å; W44-W56 AromaticContact CE3-CZ3 3.8Å; W44-W56 HydrophobicContact CE3-CZ3 3.8Å; W44-W56 AromaticContact CH2-CH2 3.88Å; W44-W56 HydrophobicContact CH2-CH2 3.88Å; W44-W56 HydrophobicContact CH2-CZ3 4.17Å; W44-W56 AromaticContact CZ3-CH2 3.39Å; W44-W56 HydrophobicContact CZ3-CH2 3.39Å; W44-W56 AromaticContact CZ3-CZ3 3.36Å; W44-W56 HydrophobicContact CZ3-CZ3 3.36Å; N53-W56 PolarHBondContact O-N 2.56Å; N53-W56 VanDerWaalsContact O-N 3.1Å; N53-W56 WeakPolarHBondContact OD1-CB 3.33Å; W56-L59 PolarHBondContact O-N 2.88Å; W56-N60 HydrophobicContact CD2-CB 3.95Å; W56-N60 VanDerWaalsContact CE2-ND2 3.32Å; W56-N60 HydrophobicContact CE3-CB 3.79Å; W56-N60 HydrophobicContact CH2-CB 3.58Å; W56-N60 HydrophobicContact CZ2-CB 3.77Å; W56-N60 HydrophobicContact CZ3-CB 3.6Å; W56-N60 PolarHBondContact NE1-ND2 3.04Å; W56-N60 VanDerWaalsContact O-CB 3.27Å; W56-N60 WeakPolarHBondContact O-CB 3.22Å; W56-N60 PolarHBondContact O-N 3.36Å; W56-N60 PolarHBondContact O-ND2 2.58Å
57	M	86.6	Confident	79.9	Confident	2 Å²	2	46.4 Å²	46.4	1%	0.01	26%	0.259	C	S	.	.	H	α-helix	trans	-72.3	-36.1	-176.2	-69.1	-69.5	-66.4	0	0	112.8	W44 E49 N53 L59 C61 C65	W44-M57 HydrophobicContact CB-CE 3.56Å; W44-M57 HydrophobicContact CB-SD 4.02Å; W44-M57 HydrophobicContact CE3-CE 4.49Å; W44-M57 HydrophobicContact CE3-SD 3.95Å; E49-M57 HydrophobicContact CB-CE 3.83Å; E49-M57 HydrophobicContact CB-CG 4.07Å; E49-M57 HydrophobicContact CB-SD 4.01Å; E49-M57 WeakPolarHBondContact O-CG 3.32Å; N53-M57 HydrophobicContact CB-CG 4.01Å; N53-M57 VanDerWaalsContact O-CB 3.23Å; N53-M57 WeakPolarHBondContact O-CB 3.46Å; N53-M57 VanDerWaalsContact O-CG 3.28Å; N53-M57 WeakPolarHBondContact O-CG 3.03Å; N53-M57 PolarHBondContact O-N 2.86Å; M57-L59 PolarHBondContact O-N 2.93Å; M57-C61 HydrophobicContact CB-CB 4.38Å; M57-C61 HydrophobicContact CE-CB 3.57Å; M57-C61 CarbonylContact O-C 3.43Å; M57-C61 WeakPolarHBondContact O-CA 3.37Å; M57-C61 VanDerWaalsContact O-CB 3.23Å; M57-C61 WeakPolarHBondContact O-CB 3.28Å; M57-C61 PolarHBondContact O-N 2.83Å; M57-C61 HydrophobicContact SD-CB 3.92Å; M57-C65 VanDerWaalsContact CE-SG 3.57Å
58	R	86	Confident	80.4	Confident	155 Å²	155	45.7 Å²	45.7	59%	0.585	26%	0.258	S	S	*	.	H	α-helix	trans	-68.7	-23.1	171.5	-70.6	172.4	-175.6	175.9	2.7	112.3	A54 M62 T66	A54-R58 WeakPolarHBondContact O-CA 3.06Å; A54-R58 WeakPolarHBondContact O-CB 3.05Å; A54-R58 WeakPolarHBondContact O-CD 3.36Å; A54-R58 WeakPolarHBondContact O-CG 3.31Å; A54-R58 PolarHBondContact O-N 3.32Å; R58-M62 WeakPolarHBondContact O-CG 3.05Å; R58-T66 HydrophobicContact CG-CG2 4.2Å
59	L	85	Confident	80.1	Confident	115 Å²	115	51.7 Å²	51.7	60%	0.602	29%	0.286	S	S	*	.	H	α-helix	trans	-90.4	-36.1	178.2	-146.4	113.4	0	0	0	112.3	H37 S55 W56 M57	H37-L59 PolarHBondContact CD2-O 3.36Å; H37-L59 VanDerWaalsContact CD2-O 3.31Å; S55-L59 WeakPolarHBondContact O-CB 3.49Å; S55-L59 PolarHBondContact O-N 2.81Å; W56-L59 PolarHBondContact O-N 2.88Å; M57-L59 PolarHBondContact O-N 2.93Å
60	N	89.4	Confident	78.7	Confident	35 Å²	35	55.4 Å²	55.4	19%	0.187	32%	0.315	C	S	.	.	H	α-helix	trans	-108.5	-13.8	-172.4	-64.7	-80.3	0	0	0	113.7	D36 H37 C41 W56	D36-N60 CarbonylContact C-O 3.45Å; H37-N60 WeakPolarHBondContact CA-O 3.32Å; H37-N60 HydrophobicContact CB-CB 4.42Å; H37-N60 WeakPolarHBondContact CB-O 3.46Å; H37-N60 PolarHBondContact N-O 2.99Å; C41-N60 PolarHBondContact SG-O 2.87Å; W56-N60 HydrophobicContact CD2-CB 3.95Å; W56-N60 VanDerWaalsContact CE2-ND2 3.32Å; W56-N60 HydrophobicContact CE3-CB 3.79Å; W56-N60 HydrophobicContact CH2-CB 3.58Å; W56-N60 HydrophobicContact CZ2-CB 3.77Å; W56-N60 HydrophobicContact CZ3-CB 3.6Å; W56-N60 PolarHBondContact NE1-ND2 3.04Å; W56-N60 VanDerWaalsContact O-CB 3.27Å; W56-N60 WeakPolarHBondContact O-CB 3.22Å; W56-N60 PolarHBondContact O-N 3.36Å; W56-N60 PolarHBondContact O-ND2 2.58Å
61	C	89.8	Confident	76.4	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	35%	0.349	C	S	.	.	B	Isolated β-bridge	trans	-139.2	44.7	-172.9	-61.9	0	0	0	0	111.5	D36 C41 M57 I63 S64 C65	D36-C61 WeakPolarHBondContact OD1-CA 3.26Å; C41-C61 WeakPolarHBondContact CA-SG 3.29Å; C41-C61 HydrophobicContact CB-CB 3.38Å; C41-C61 WeakPolarHBondContact CB-SG 3.34Å; C41-C61 WeakPolarHBondContact SG-CA 3.25Å; C41-C61 WeakPolarHBondContact SG-CB 3.49Å; C41-C61 CovalentContact SG-SG 2.02Å; C41-C61 PolarHBondContact SG-SG 2.91Å; M57-C61 HydrophobicContact CB-CB 4.38Å; M57-C61 HydrophobicContact CE-CB 3.57Å; M57-C61 CarbonylContact O-C 3.43Å; M57-C61 WeakPolarHBondContact O-CA 3.37Å; M57-C61 VanDerWaalsContact O-CB 3.23Å; M57-C61 WeakPolarHBondContact O-CB 3.28Å; M57-C61 PolarHBondContact O-N 2.83Å; M57-C61 HydrophobicContact SD-CB 3.92Å; C61-I63 VanDerWaalsContact C-N 3.34Å; C61-I63 PolarHBondContact O-N 3.16Å; C61-S64 PolarHBondContact O-N 3.43Å; C61-C65 WeakPolarHBondContact O-CB 3.29Å; C61-C65 PolarHBondContact O-N 2.95Å; C61-C65 PolarHBondContact O-SG 2.04Å
62	M	90.9	Very high	74.5	Confident	53 Å²	53	65 Å²	65	26%	0.261	36%	0.363	S	S	.	.	H	α-helix	trans	-58.3	-43.9	-171	-67.2	175.3	178.6	0	0	112.9	C34 C35 D36 R58 T66	C34-M62 VanDerWaalsContact SG-CB 3.53Å; C35-M62 WeakPolarHBondContact O-CB 3.08Å; C35-M62 PolarHBondContact O-N 2.8Å; C35-M62 VanDerWaalsContact O-N 3.11Å; D36-M62 PolarHBondContact OD1-N 3.21Å; R58-M62 WeakPolarHBondContact O-CG 3.05Å; M62-T66 PolarHBondContact O-N 3.16Å; M62-T66 PolarHBondContact O-OG1 2.94Å
63	I	88.1	Confident	73.3	Confident	12 Å²	12	71.6 Å²	71.6	6%	0.062	40%	0.397	C	S	.	.	H	α-helix	trans	-68.1	-47.7	-177.2	-57.1	173.1	0	0	0	108.9	R28 K30 D36 C61 C65 G67	R28-I63 HydrophobicContact CB-CD1 4.19Å; R28-I63 HydrophobicContact CG-CD1 3.79Å; R28-I63 WeakPolarHBondContact O-CD1 3.37Å; K30-I63 HydrophobicContact CG-CD1 4.06Å; D36-I63 WeakPolarHBondContact OD1-CA 3.45Å; D36-I63 WeakPolarHBondContact OD1-CB 3.39Å; D36-I63 PolarHBondContact OD1-N 3.33Å; C61-I63 VanDerWaalsContact C-N 3.34Å; C61-I63 PolarHBondContact O-N 3.16Å; I63-C65 VanDerWaalsContact C-N 3.29Å; I63-C65 PolarHBondContact O-N 3.34Å; I63-G67 PolarHBondContact O-N 2.91Å
64	S	86.4	Confident	71.3	Confident	27 Å²	27	77.4 Å²	77.4	19%	0.189	43%	0.428	C	S	.	.	H	α-helix	trans	-63.8	-32.4	-178	-72.9	0	0	0	0	112.7	D36 C41 E42 C61	D36-S64 PolarHBondContact OD1-N 3.31Å; D36-S64 WeakPolarHBondContact OD2-CB 3.28Å; D36-S64 PolarHBondContact OD2-N 3.43Å; D36-S64 PolarHBondContact OD2-OG 3.11Å; C41-S64 WeakPolarHBondContact O-CB 3.29Å; E42-S64 WeakPolarHBondContact CA-OG 3.37Å; E42-S64 PolarHBondContact N-OG 2.77Å; C61-S64 PolarHBondContact O-N 3.43Å
65	C	84.7	Confident	68.8	Low	33 Å²	33	83.8 Å²	83.8	22%	0.223	45%	0.454	C	S	.	.	H	α-helix	trans	-98.6	-36.3	-174.8	-64.7	0	0	0	0	116.6	C50 M57 C61 I63	C50-C65 WeakPolarHBondContact CA-SG 3.38Å; C50-C65 HydrophobicContact CB-CB 3.46Å; C50-C65 VanDerWaalsContact CB-CB 3.46Å; C50-C65 WeakPolarHBondContact CB-SG 3.49Å; C50-C65 WeakPolarHBondContact SG-CA 3.47Å; C50-C65 WeakPolarHBondContact SG-CB 3.3Å; C50-C65 CovalentContact SG-SG 2.02Å; C50-C65 PolarHBondContact SG-SG 2.89Å; M57-C65 VanDerWaalsContact CE-SG 3.57Å; C61-C65 WeakPolarHBondContact O-CB 3.29Å; C61-C65 PolarHBondContact O-N 2.95Å; C61-C65 PolarHBondContact O-SG 2.04Å; I63-C65 VanDerWaalsContact C-N 3.29Å; I63-C65 PolarHBondContact O-N 3.34Å
66	T	79.6	Confident	66.4	Low	48 Å²	48	85.6 Å²	85.6	29%	0.294	46%	0.461	S	S	.	.	H	α-helix	trans	-121.7	-5.7	-170	66.7	0	0	0	0	113.2	R58 M62 C68 L69	R58-T66 HydrophobicContact CG-CG2 4.2Å; M62-T66 PolarHBondContact O-N 3.16Å; M62-T66 PolarHBondContact O-OG1 2.94Å; T66-C68 PolarHBondContact O-N 3.24Å; T66-C68 VanDerWaalsContact O-N 3.09Å; T66-C68 PolarHBondContact OG1-N 3.06Å; T66-L69 PolarHBondContact O-N 2.04Å
67	G	76.3	Confident	63.7	Low	45 Å²	45	89.2 Å²	89.2	46%	0.464	48%	0.482	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.8	7.7	-175	0	0	0	0	0	114.7	I63	I63-G67 PolarHBondContact O-N 2.91Å
68	C	72.8	Confident	61	Low	36 Å²	36	96.5 Å²	96.5	24%	0.243	51%	0.514	C	S	.	.	T	Hydrogen-bonded Turn	trans	70.7	32.8	-175.3	-45.9	0	0	0	0	115.7	C34 T66 S70	C34-C68 HydrophobicContact CB-CB 3.51Å; C34-C68 WeakPolarHBondContact CB-SG 3.28Å; C34-C68 WeakPolarHBondContact SG-CA 3.46Å; C34-C68 WeakPolarHBondContact SG-CB 3.36Å; C34-C68 CovalentContact SG-SG 2Å; C34-C68 PolarHBondContact SG-SG 3.1Å; T66-C68 PolarHBondContact O-N 3.24Å; T66-C68 VanDerWaalsContact O-N 3.09Å; T66-C68 PolarHBondContact OG1-N 3.06Å; C68-S70 PolarHBondContact O-N 3.37Å
69	L	61.3	Low	58.3	Low	139 Å²	139	98.9 Å²	98.9	73%	0.728	53%	0.529	S	S	*	.			trans	-68.8	105.4	169.5	-67.1	171.1	0	0	0	109	T66 F71	T66-L69 PolarHBondContact O-N 2.04Å; L69-F71 PolarHBondContact O-N 3.42Å; L69-F71 VanDerWaalsContact O-N 3.13Å
70	S	47.5	Very low	55.7	Low	99 Å²	99	101.4 Å²	101.4	69%	0.692	54%	0.543	S	S	*	.			trans	-58.7	111.1	168	43.4	0	0	0	0	108.5	C68 P72	C68-S70 PolarHBondContact O-N 3.37Å; S70-P72 VanDerWaalsContact O-CD 3.23Å; S70-P72 WeakPolarHBondContact O-CD 3.5Å
71	F	32.6	Very low	53	Low	186 Å²	186	107.4 Å²	107.4	82%	0.816	57%	0.57	S	S	*	*	P	Polyproline II helix	trans	-69.9	120.2	167.8	-69.2	-85.3	0	0	0	108.5	L69	L69-F71 PolarHBondContact O-N 3.42Å; L69-F71 VanDerWaalsContact O-N 3.13Å
72	P	35.5	Very low	50.2	Low	112 Å²	112	119.4 Å²	119.4	73%	0.727	62%	0.615	S	S	*	*	P	Polyproline II helix	trans	-83.6	134.5	155.4	2.8	18.3	0	0	0	108.1	S70	S70-P72 VanDerWaalsContact O-CD 3.23Å; S70-P72 WeakPolarHBondContact O-CD 3.5Å
73	D	30.8	Very low	47.4	Very low	162 Å²	162	124.8 Å²	124.8	87%	0.866	64%	0.644	S	S	*	*	S	Bend	trans	-50.5	143.9	166.2	-78.1	-45.3	0	0	0	111.1
74	N	28	Very low	44.9	Very low	148 Å²	148	128 Å²	128	79%	0.791	67%	0.673	S	S	*	*			trans	67	78.7	174.5	-75.3	-19.1	0	0	0	117.8
75	Q	29.8	Very low	42.3	Very low	157 Å²	157	134.5 Å²	134.5	73%	0.734	71%	0.705	S	S	*	*			trans	-144.7	76.3	138.9	-77.1	-154.3	-7.6	0	0	112	Q77	Q75-Q77 PolarHBondContact O-N 3.39Å
76	T	26.9	Very low	39.8	Very low	136 Å²	136	141.8 Å²	141.8	83%	0.834	73%	0.733	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.5	67	157.3	-42.7	0	0	0	0	109.2
77	Q	29.9	Very low	37.6	Very low	174 Å²	174	145.2 Å²	145.2	81%	0.813	76%	0.757	S	S	*	*	T	Hydrogen-bonded Turn	trans	-172.5	31.8	171	-113.9	167.7	30.2	0	0	117.3	Q75	Q75-Q77 PolarHBondContact O-N 3.39Å
78	F	29.6	Very low	35.6	Very low	155 Å²	155	154 Å²	154	68%	0.68	78%	0.775	S	S	*	*			trans	-145.6	60.1	175.3	-94.7	-81.4	0	0	0	113.9
79	F	29.5	Very low	33.7	Very low	204 Å²	204	158.2 Å²	158.2	90%	0.895	80%	0.803	S	S	*	*	S	Bend	trans	-141.6	14.1	165.3	-125.7	-90.9	0	0	0	115.6
80	N	30.4	Very low	32.5	Very low	168 Å²	168	159.5 Å²	159.5	90%	0.898	81%	0.808	S	S	*	*	S	Bend	trans	-113.6	18.3	-180	-81.5	-19.4	0	0	0	115.3
81	Q	33.5	Very low	31.9	Very low	161 Å²	161	159.2 Å²	159.2	75%	0.752	81%	0.807	S	S	*	*	S	Bend	trans	-130.1	16.6	-175.7	-84.1	-176.9	-11.9	0	0	116.7
82	R	31.2	Very low	31.8	Very low	252 Å²	252	155 Å²	155	95%	0.951	81%	0.806	S	S	*	*	S	Bend	trans	-125.7	22.3	172.3	-71.9	-165.7	-166.2	-155.3	4.9	115.9
83	L	32.1	Very low	31.7	Very low	167 Å²	167	156.5 Å²	156.5	87%	0.874	81%	0.808	S	S	*	*	S	Bend	trans	-111.8	13.4	167.6	-77.2	165	0	0	0	113.1
84	A	34.3	Very low	31.7	Very low	80 Å²	80	157 Å²	157	66%	0.661	81%	0.807	S	S	*	*	S	Bend	trans	-105.9	7	-171.2	0	0	0	0	0	116
85	N	32.8	Very low	32	Very low	162 Å²	162	158.6 Å²	158.6	87%	0.866	81%	0.807	S	S	*	*			trans	-122.9	35.8	-177.9	-81.2	-12.2	0	0	0	114.2
86	F	30.9	Very low	32.1	Very low	187 Å²	187	158 Å²	158	82%	0.82	82%	0.815	S	S	*	*	S	Bend	trans	-85	129.9	157.3	-93.2	-83.5	0	0	0	109	R88	F86-R88 PolarHBondContact O-N 2.86Å
87	P	34.3	Very low	32.4	Very low	120 Å²	120	157.3 Å²	157.3	78%	0.779	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-56.9	129.4	176.1	-16.6	28.2	0	0	0	109.3
88	R	33.4	Very low	32.6	Very low	228 Å²	228	155.1 Å²	155.1	86%	0.86	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-51.9	144.8	170.7	-71.5	-179.5	178.1	-174	-1.1	109.4	F86 I90	F86-R88 PolarHBondContact O-N 2.86Å; R88-I90 PolarHBondContact O-N 3.02Å
89	P	34.5	Very low	33.1	Very low	126 Å²	126	154.8 Å²	154.8	82%	0.818	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-58.6	128.2	172.4	-10.7	24.5	0	0	0	108.1	S91	P89-S91 PolarHBondContact O-N 3.43Å
90	I	34.8	Very low	33.8	Very low	165 Å²	165	155.6 Å²	155.6	85%	0.846	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-55.3	126.4	170.3	-67	169.1	0	0	0	107.3	R88 A92	R88-I90 PolarHBondContact O-N 3.02Å; I90-A92 PolarHBondContact O-N 2.8Å; I90-A92 VanDerWaalsContact O-N 3.15Å
91	S	35	Very low	34.9	Very low	94 Å²	94	151.8 Å²	151.8	66%	0.657	79%	0.792	S	S	*	*			trans	-28	110.9	171	149.8	0	0	0	0	112.8	P89 N93	P89-S91 PolarHBondContact O-N 3.43Å; S91-N93 VanDerWaalsContact C-N 3.34Å; S91-N93 PolarHBondContact O-N 3.05Å
92	A	31.3	Very low	36.6	Very low	96 Å²	96	153.8 Å²	153.8	79%	0.793	79%	0.793	S	S	*	*			trans	-72.1	90.7	163.3	0	0	0	0	0	108.3	I90	I90-A92 PolarHBondContact O-N 2.8Å; I90-A92 VanDerWaalsContact O-N 3.15Å
93	N	33.2	Very low	38.9	Very low	145 Å²	145	148 Å²	148	78%	0.775	77%	0.771	S	S	*	*			trans	-161	71	163.5	-95.9	-17.5	0	0	0	109.3	S91	S91-N93 VanDerWaalsContact C-N 3.34Å; S91-N93 PolarHBondContact O-N 3.05Å
94	M	31.4	Very low	41.1	Very low	172 Å²	172	140.1 Å²	140.1	85%	0.847	73%	0.731	S	S	*	*			trans	-169.5	147.5	154.8	-104.6	176.5	-147.2	0	0	106
95	F	34.1	Very low	43.5	Very low	181 Å²	181	141.2 Å²	141.2	79%	0.794	72%	0.722	S	S	*	*			trans	90.1	61	-171.3	-49	-69.6	0	0	0	115.9	N97	F95-N97 PolarHBondContact O-N 3.24Å; F95-N97 VanDerWaalsContact O-N 3.09Å
96	T	31.4	Very low	46.2	Very low	145 Å²	145	136.2 Å²	136.2	89%	0.89	70%	0.695	S	S	*	*			trans	-65.8	86.5	139.6	49	0	0	0	0	109
97	N	32.6	Very low	48.8	Very low	122 Å²	122	130 Å²	130	65%	0.652	67%	0.673	S	S	*	*	S	Bend	trans	-148.6	130.1	156.1	-106.3	-23.1	0	0	0	105.7	F95 I99	F95-N97 PolarHBondContact O-N 3.24Å; F95-N97 VanDerWaalsContact O-N 3.09Å; N97-I99 VanDerWaalsContact C-N 3.32Å; N97-I99 PolarHBondContact O-N 3.32Å
98	P	34.5	Very low	51.5	Low	128 Å²	128	131 Å²	131	83%	0.831	67%	0.667	S	S	*	*			trans	-67.6	94.7	178.2	27.8	-30.9	0	0	0	108.1	R100	P98-R100 PolarHBondContact O-N 3.08Å
99	I	39.8	Very low	54.4	Low	147 Å²	147	120.8 Å²	120.8	75%	0.754	63%	0.629	S	S	*	*			trans	-64.7	106.7	173.5	-60.4	174.9	0	0	0	105.7	N97	N97-I99 VanDerWaalsContact C-N 3.32Å; N97-I99 PolarHBondContact O-N 3.32Å
100	R	43.5	Very low	57.2	Low	221 Å²	221	114.9 Å²	114.9	83%	0.834	59%	0.591	S	S	*	*	P	Polyproline II helix	trans	-51.1	128	167.9	-79.4	-175.7	-179.7	-174.5	-0.6	107.4	P98 R102	P98-R100 PolarHBondContact O-N 3.08Å; R100-R102 PolarHBondContact O-N 3.33Å
101	P	53.7	Low	59.9	Low	89 Å²	89	110 Å²	110	58%	0.578	56%	0.564	S	S	*	*	P	Polyproline II helix	trans	-52.7	137.9	174.9	20.2	-29.6	0	0	0	108.5	R103	P101-R103 PolarHBondContact O-N 3.06Å
102	R	69.5	Low	62.7	Low	203 Å²	203	111.1 Å²	111.1	77%	0.766	56%	0.559	S	S	*	*	P	Polyproline II helix	trans	-51.1	133.4	173.1	-65.3	-176.5	-178.3	-172.6	0.6	107	R100 G104 H105	R100-R102 PolarHBondContact O-N 3.33Å; R102-G104 PolarHBondContact O-N 3.4Å; R102-H105 PolarHBondContact O-N 3.17Å
103	R	79.6	Confident	65.6	Low	129 Å²	129	106.7 Å²	106.7	49%	0.487	52%	0.522	S	S	.	.	G	3₁₀ helix	trans	-50.8	-29.2	-173.1	-78.3	-170.2	179.6	-154.6	-0.7	113.6	P101 H105 D106 F109 N128 A130	P101-R103 PolarHBondContact O-N 3.06Å; R103-H105 PolarHBondContact O-N 3.07Å; R103-D106 WeakPolarHBondContact O-CB 3.39Å; R103-D106 PolarHBondContact O-N 3.18Å; R103-D106 VanDerWaalsContact O-N 3.13Å; R103-F109 HydrophobicContact CB-CD1 4.33Å; R103-F109 HydrophobicContact CB-CE1 4.43Å; R103-F109 VanDerWaalsContact O-CD1 3.26Å; R103-F109 WeakPolarHBondContact O-CD1 3.2Å; R103-N128 HydrophobicContact CB-CB 4.48Å; R103-N128 WeakPolarHBondContact CD-OD1 3.43Å; R103-N128 PolarHBondContact NH1-OD1 3.1Å; R103-A130 HydrophobicContact CB-CB 4.14Å
104	G	78.6	Confident	68.4	Low	3 Å²	3	100.8 Å²	100.8	3%	0.031	49%	0.491	C	S	.	.	G	3₁₀ helix	trans	-64.7	-12.8	174.5	0	0	0	0	0	116.1	R102 C110 V132 C171	R102-G104 PolarHBondContact O-N 3.4Å; G104-C110 PolarHBondContact O-SG 3.07Å; G104-V132 WeakPolarHBondContact O-CG2 3.45Å; G104-C171 WeakPolarHBondContact O-CB 3.28Å
105	H	84.6	Confident	71.2	Confident	103 Å²	103	102.2 Å²	102.2	48%	0.477	49%	0.487	S	S	.	.	G	3₁₀ helix	trans	-109	7.6	175.1	-61.2	-61.5	0	0	0	112.7	R102 R103 P107	R102-H105 PolarHBondContact O-N 3.17Å; R103-H105 PolarHBondContact O-N 3.07Å; H105-P107 WeakPolarHBondContact O-CD 3.29Å
106	D	89.3	Confident	74	Confident	57 Å²	57	95.9 Å²	95.9	31%	0.305	46%	0.461	S	S	.	.			trans	-87.7	108.8	172.4	175.8	2.6	0	0	0	109.3	R103 E108 F109 C110	R103-D106 WeakPolarHBondContact O-CB 3.39Å; R103-D106 PolarHBondContact O-N 3.18Å; R103-D106 VanDerWaalsContact O-N 3.13Å; D106-E108 VanDerWaalsContact C-N 3.26Å; D106-E108 PolarHBondContact O-N 3.4Å; D106-E108 PolarHBondContact OD1-N 2.83Å; D106-E108 VanDerWaalsContact OD1-N 3.07Å; D106-F109 HydrophobicContact CB-CB 3.97Å; D106-F109 PolarHBondContact O-N 3.24Å; D106-C110 PolarHBondContact O-N 2.83Å; D106-C110 PolarHBondContact O-SG 2.95Å
107	P	86.4	Confident	76.9	Confident	55 Å²	55	91.9 Å²	91.9	36%	0.357	43%	0.434	S	S	.	.	H	α-helix	trans	-60.6	-34.4	-176.7	-22.3	34.8	0	0	0	113	H105 C110 E111	H105-P107 WeakPolarHBondContact O-CD 3.29Å; P107-C110 PolarHBondContact O-N 2.97Å; P107-E111 WeakPolarHBondContact O-CB 3.14Å; P107-E111 WeakPolarHBondContact O-CG 3.23Å; P107-E111 PolarHBondContact O-N 3.38Å
108	E	91.1	Very high	79.7	Confident	141 Å²	141	86.6 Å²	86.6	66%	0.659	41%	0.407	S	S	*	.	H	α-helix	trans	-69	-43.8	-178.5	-65.8	-176.7	-179.7	0	0	110.9	D106 E111 Q112	D106-E108 VanDerWaalsContact C-N 3.26Å; D106-E108 PolarHBondContact O-N 3.4Å; D106-E108 PolarHBondContact OD1-N 2.83Å; D106-E108 VanDerWaalsContact OD1-N 3.07Å; E108-E111 PolarHBondContact O-N 3.43Å; E108-Q112 WeakPolarHBondContact O-CG 3.18Å; E108-Q112 PolarHBondContact O-N 2.97Å; E108-Q112 VanDerWaalsContact O-N 3.17Å
109	F	93.2	Very high	82.3	Confident	15 Å²	15	83.3 Å²	83.3	7%	0.066	39%	0.387	C	S	.	.	H	α-helix	trans	-59.6	-46.3	172	171.2	-97.1	0	0	0	111.3	R103 D106 E111 Q112 V113 K124 L125 N128 A130	R103-F109 HydrophobicContact CB-CD1 4.33Å; R103-F109 HydrophobicContact CB-CE1 4.43Å; R103-F109 VanDerWaalsContact O-CD1 3.26Å; R103-F109 WeakPolarHBondContact O-CD1 3.2Å; D106-F109 HydrophobicContact CB-CB 3.97Å; D106-F109 PolarHBondContact O-N 3.24Å; F109-E111 VanDerWaalsContact C-N 3.34Å; F109-E111 PolarHBondContact O-N 2.92Å; F109-Q112 WeakPolarHBondContact O-CB 3.39Å; F109-Q112 PolarHBondContact O-N 3.24Å; F109-V113 HydrophobicContact CD1-CG2 4.31Å; F109-V113 HydrophobicContact CE1-CG2 3.8Å; F109-V113 HydrophobicContact CE2-CG2 4.06Å; F109-V113 HydrophobicContact CZ-CG2 3.66Å; F109-V113 WeakPolarHBondContact O-CG2 3.36Å; F109-V113 PolarHBondContact O-N 3.15Å; F109-V113 VanDerWaalsContact O-N 3.08Å; F109-K124 HydrophobicContact CE2-CG 4.32Å; F109-K124 HydrophobicContact CZ-CG 4.34Å; F109-L125 HydrophobicContact CE1-CD2 4.02Å; F109-N128 HydrophobicContact CE2-CB 4.18Å; F109-N128 HydrophobicContact CZ-CB 3.74Å; F109-A130 HydrophobicContact CD1-CB 4.34Å; F109-A130 HydrophobicContact CE1-CB 3.45Å; F109-A130 VanDerWaalsContact CE1-CB 3.45Å; F109-A130 HydrophobicContact CZ-CB 4.03Å
110	C	93	Very high	84.8	Confident	1 Å²	1	81.3 Å²	81.3	1%	0.007	38%	0.375	C	S	.	.	H	α-helix	trans	-66.5	-33.8	-179.9	-58.9	0	0	0	0	112.7	G104 D106 P107 Q112 V113 L114 L170 C171	G104-C110 PolarHBondContact O-SG 3.07Å; D106-C110 PolarHBondContact O-N 2.83Å; D106-C110 PolarHBondContact O-SG 2.95Å; P107-C110 PolarHBondContact O-N 2.97Å; C110-Q112 VanDerWaalsContact C-N 3.32Å; C110-Q112 PolarHBondContact O-N 2.8Å; C110-V113 PolarHBondContact O-N 2.87Å; C110-L114 WeakPolarHBondContact O-CG 3.46Å; C110-L114 PolarHBondContact O-N 3.38Å; C110-L170 HydrophobicContact CB-CB 3.63Å; C110-L170 HydrophobicContact CB-CD2 3.96Å; C110-L170 HydrophobicContact CB-CG 3.96Å; C110-C171 VanDerWaalsContact CA-SG 3.56Å; C110-C171 HydrophobicContact CB-CB 4.06Å; C110-C171 WeakPolarHBondContact CB-SG 3.44Å; C110-C171 WeakPolarHBondContact SG-CB 3.25Å; C110-C171 PolarHBondContact SG-N 2.89Å; C110-C171 CovalentContact SG-SG 2.03Å; C110-C171 PolarHBondContact SG-SG 3.27Å
111	E	92.9	Very high	87.2	Confident	62 Å²	62	70.8 Å²	70.8	29%	0.29	34%	0.335	S	S	.	.	H	α-helix	trans	-64.2	-36	173.7	-80.3	-172.9	179.4	0	0	111.7	P107 E108 F109 R167 L170	P107-E111 WeakPolarHBondContact O-CB 3.14Å; P107-E111 WeakPolarHBondContact O-CG 3.23Å; P107-E111 PolarHBondContact O-N 3.38Å; E108-E111 PolarHBondContact O-N 3.43Å; F109-E111 VanDerWaalsContact C-N 3.34Å; F109-E111 PolarHBondContact O-N 2.92Å; E111-R167 IonicContact OE1-CZ 3.24Å; E111-R167 VanDerWaalsContact OE1-CZ 3.24Å; E111-R167 IonicContact OE1-NE 3.22Å; E111-R167 PolarHBondContact OE1-NE 2.89Å; E111-R167 IonicContact OE1-NH2 2.81Å; E111-R167 PolarHBondContact OE1-NH2 3.16Å; E111-R167 IonicContact OE2-NH2 3.98Å; E111-L170 HydrophobicContact CB-CD2 4.11Å; E111-L170 HydrophobicContact CG-CD2 3.29Å
112	Q	92.6	Very high	88.9	Confident	119 Å²	119	68.5 Å²	68.5	56%	0.556	32%	0.317	S	S	*	.	H	α-helix	trans	-67.3	-44.1	174.3	-66.6	169.2	20.7	0	0	111.4	E108 F109 C110 L114 R115	E108-Q112 WeakPolarHBondContact O-CG 3.18Å; E108-Q112 PolarHBondContact O-N 2.97Å; E108-Q112 VanDerWaalsContact O-N 3.17Å; F109-Q112 WeakPolarHBondContact O-CB 3.39Å; F109-Q112 PolarHBondContact O-N 3.24Å; C110-Q112 VanDerWaalsContact C-N 3.32Å; C110-Q112 PolarHBondContact O-N 2.8Å; Q112-L114 VanDerWaalsContact C-N 3.28Å; Q112-L114 PolarHBondContact O-N 2.87Å; Q112-R115 PolarHBondContact O-N 3.27Å; Q112-R115 VanDerWaalsContact O-N 3.14Å
113	V	92.7	Very high	89.9	Confident	2 Å²	2	60.7 Å²	60.7	1%	0.012	30%	0.3	C	S	.	.	H	α-helix	trans	-64.2	-31.9	-179.7	168.8	0	0	0	0	112.5	F109 C110 R115 L116 R121 K124 L125 A174	F109-V113 HydrophobicContact CD1-CG2 4.31Å; F109-V113 HydrophobicContact CE1-CG2 3.8Å; F109-V113 HydrophobicContact CE2-CG2 4.06Å; F109-V113 HydrophobicContact CZ-CG2 3.66Å; F109-V113 WeakPolarHBondContact O-CG2 3.36Å; F109-V113 PolarHBondContact O-N 3.15Å; F109-V113 VanDerWaalsContact O-N 3.08Å; C110-V113 PolarHBondContact O-N 2.87Å; V113-R115 PolarHBondContact O-N 3.28Å; V113-L116 WeakPolarHBondContact O-CB 3.2Å; V113-L116 PolarHBondContact O-N 2.88Å; V113-L116 VanDerWaalsContact O-N 3.17Å; V113-R121 HydrophobicContact CG1-CB 4.4Å; V113-R121 HydrophobicContact CG1-CG 3.6Å; V113-R121 PolarHBondContact O-NE 3.29Å; V113-K124 HydrophobicContact CG2-CB 4.42Å; V113-K124 HydrophobicContact CG2-CG 4.06Å; V113-L125 HydrophobicContact CG1-CD1 3.99Å; V113-L125 HydrophobicContact CG1-CD2 3.88Å; V113-L125 HydrophobicContact CG1-CG 3.73Å; V113-L125 HydrophobicContact CG2-CD2 4.37Å; V113-A174 HydrophobicContact CG1-CB 4.49Å
114	L	92.4	Very high	90.6	Very high	21 Å²	21	58.4 Å²	58.4	11%	0.11	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-15.9	175.3	-79.6	178.3	0	0	0	114.3	C110 Q112 L116 R121 L170 A174 L186	C110-L114 WeakPolarHBondContact O-CG 3.46Å; C110-L114 PolarHBondContact O-N 3.38Å; Q112-L114 VanDerWaalsContact C-N 3.28Å; Q112-L114 PolarHBondContact O-N 2.87Å; L114-L116 VanDerWaalsContact C-N 3.33Å; L114-R121 PolarHBondContact O-NH2 2.97Å; L114-L170 HydrophobicContact CD1-CD1 3.45Å; L114-L170 VanDerWaalsContact CD1-CD1 3.45Å; L114-L170 HydrophobicContact CD1-CD2 3.77Å; L114-L170 HydrophobicContact CD1-CG 3.5Å; L114-L170 VanDerWaalsContact CD1-CG 3.5Å; L114-L170 HydrophobicContact CG-CG 4.33Å; L114-A174 HydrophobicContact CD2-CB 3.65Å; L114-A174 HydrophobicContact CG-CB 4.32Å; L114-L186 HydrophobicContact CD1-CD1 3.65Å
115	R	90.2	Very high	91.2	Very high	203 Å²	203	58.2 Å²	58.2	77%	0.766	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.7	-6.6	177.2	-59.4	179.4	-174.8	169.2	2.5	113.1	Q112 V113	Q112-R115 PolarHBondContact O-N 3.27Å; Q112-R115 VanDerWaalsContact O-N 3.14Å; V113-R115 PolarHBondContact O-N 3.28Å
116	L	92.5	Very high	91.5	Very high	47 Å²	47	54.9 Å²	54.9	25%	0.246	28%	0.282	C	S	.	.	S	Bend	trans	-89.5	150.1	-177.7	-56.6	178.5	0	0	0	110.7	V113 L114 E120 R121 K124	V113-L116 WeakPolarHBondContact O-CB 3.2Å; V113-L116 PolarHBondContact O-N 2.88Å; V113-L116 VanDerWaalsContact O-N 3.17Å; L114-L116 VanDerWaalsContact C-N 3.33Å; L116-E120 HydrophobicContact CB-CB 3.86Å; L116-E120 HydrophobicContact CD1-CB 4.28Å; L116-E120 HydrophobicContact CD2-CB 4.43Å; L116-E120 HydrophobicContact CG-CB 4.42Å; L116-R121 HydrophobicContact CB-CB 4.08Å; L116-R121 PolarHBondContact O-NE 3.09Å; L116-R121 PolarHBondContact O-NH2 3.34Å; L116-K124 HydrophobicContact CD1-CB 3.94Å; L116-K124 HydrophobicContact CD1-CG 4.24Å
117	N	92.1	Very high	91.6	Very high	62 Å²	62	58.9 Å²	58.9	33%	0.332	30%	0.299	S	S	.	.			trans	-66.9	169.8	168.6	67.8	51.5	0	0	0	111.1	S119 E120 R121	N117-S119 VanDerWaalsContact C-N 3.35Å; N117-S119 PolarHBondContact O-N 3.09Å; N117-S119 PolarHBondContact OD1-N 3.36Å; N117-E120 PolarHBondContact ND2-OE2 2.54Å; N117-E120 VanDerWaalsContact ND2-OE2 3.09Å; N117-E120 PolarHBondContact O-N 3.04Å; N117-E120 WeakPolarHBondContact OD1-CG 3.48Å; N117-E120 PolarHBondContact OD1-N 3Å; N117-R121 WeakPolarHBondContact O-CB 3.39Å; N117-R121 PolarHBondContact O-N 2.78Å
118	A	91	Very high	91.8	Very high	11 Å²	11	57.6 Å²	57.6	9%	0.091	29%	0.289	C	S	.	.	H	α-helix	trans	-55.1	-44.5	-173.4	0	0	0	0	0	114.1	L122 P669 F672	A118-L122 WeakPolarHBondContact O-CB 3.5Å; A118-L122 PolarHBondContact O-N 3.28Å; A118-P669 WeakPolarHBondContact CB-O 3.17Å; A118-P669 PolarHBondContact N-O 3.38Å; A118-F672 VanDerWaalsContact CB-O 3.3Å; A118-F672 WeakPolarHBondContact CB-O 3.47Å
119	S	89.1	Confident	91.6	Very high	58 Å²	58	53.9 Å²	53.9	41%	0.406	29%	0.288	S	S	.	.	H	α-helix	trans	-67	-49	-177.4	-58.7	0	0	0	0	111.6	N117 G123 S673	N117-S119 VanDerWaalsContact C-N 3.35Å; N117-S119 PolarHBondContact O-N 3.09Å; N117-S119 PolarHBondContact OD1-N 3.36Å; S119-G123 PolarHBondContact O-N 2.89Å; S119-S673 VanDerWaalsContact OG-CB 3.24Å; S119-S673 WeakPolarHBondContact OG-CB 3.43Å
120	E	92.4	Very high	91.6	Very high	105 Å²	105	53.2 Å²	53.2	49%	0.491	29%	0.286	S	S	.	.	H	α-helix	trans	-64.5	-42.2	177.6	-70.6	172.9	163.2	0	0	111.7	L116 N117 G123 K124	L116-E120 HydrophobicContact CB-CB 3.86Å; L116-E120 HydrophobicContact CD1-CB 4.28Å; L116-E120 HydrophobicContact CD2-CB 4.43Å; L116-E120 HydrophobicContact CG-CB 4.42Å; N117-E120 PolarHBondContact ND2-OE2 2.54Å; N117-E120 VanDerWaalsContact ND2-OE2 3.09Å; N117-E120 PolarHBondContact O-N 3.04Å; N117-E120 WeakPolarHBondContact OD1-CG 3.48Å; N117-E120 PolarHBondContact OD1-N 3Å; E120-G123 PolarHBondContact O-N 3.45Å; E120-K124 VanDerWaalsContact O-CB 3.26Å; E120-K124 WeakPolarHBondContact O-CB 3.42Å; E120-K124 PolarHBondContact O-N 3.05Å
121	R	93.3	Very high	91.5	Very high	1 Å²	1	55 Å²	55	0%	0.004	30%	0.295	C	S	.	.	H	α-helix	trans	-58.7	-52.7	178.4	176.8	175.9	-60.9	179.9	9.1	111.4	V113 L114 L116 N117 K124 L125 A174 L175 E670	V113-R121 HydrophobicContact CG1-CB 4.4Å; V113-R121 HydrophobicContact CG1-CG 3.6Å; V113-R121 PolarHBondContact O-NE 3.29Å; L114-R121 PolarHBondContact O-NH2 2.97Å; L116-R121 HydrophobicContact CB-CB 4.08Å; L116-R121 PolarHBondContact O-NE 3.09Å; L116-R121 PolarHBondContact O-NH2 3.34Å; N117-R121 WeakPolarHBondContact O-CB 3.39Å; N117-R121 PolarHBondContact O-N 2.78Å; R121-K124 PolarHBondContact O-N 2.97Å; R121-L125 HydrophobicContact CG-CD1 4.05Å; R121-L125 WeakPolarHBondContact O-CB 3.49Å; R121-L125 VanDerWaalsContact O-CG 3.28Å; R121-L125 WeakPolarHBondContact O-CG 3.49Å; R121-L125 PolarHBondContact O-N 3.36Å; R121-A174 VanDerWaalsContact CD-O 3.23Å; R121-A174 WeakPolarHBondContact CD-O 3.41Å; R121-A174 PolarHBondContact NH1-O 2.9Å; R121-L175 HydrophobicContact CG-CD2 4.28Å; R121-E670 IonicContact CZ-OE2 3.89Å; R121-E670 PolarHBondContact NH1-O 3.5Å; R121-E670 IonicContact NH1-OE2 2.88Å; R121-E670 VanDerWaalsContact NH2-CG 3.34Å; R121-E670 IonicContact NH2-OE2 3.91Å; R121-E670 PolarHBondContact NH2-OE2 3.36Å
122	L	91.4	Very high	91.5	Very high	40 Å²	40	52.6 Å²	52.6	21%	0.209	28%	0.284	C	S	.	.	H	α-helix	trans	-64	-45.5	-179.6	-178.5	59.9	0	0	0	111	A118 K124 L125 A126 I131 L175	A118-L122 WeakPolarHBondContact O-CB 3.5Å; A118-L122 PolarHBondContact O-N 3.28Å; L122-K124 VanDerWaalsContact C-N 3.34Å; L122-K124 PolarHBondContact O-N 2.92Å; L122-L125 PolarHBondContact O-N 2.77Å; L122-A126 WeakPolarHBondContact O-CB 3.43Å; L122-A126 PolarHBondContact O-N 2.76Å; L122-I131 HydrophobicContact CD1-CD1 4.17Å; L122-L175 HydrophobicContact CD1-CD1 4.42Å; L122-L175 HydrophobicContact CD1-CD2 4.48Å
123	G	90.4	Very high	91.5	Very high	39 Å²	39	48.2 Å²	48.2	40%	0.402	27%	0.265	S	S	.	.	H	α-helix	trans	-57.8	-45.4	176.1	0	0	0	0	0	112.2	S119 E120 A126 E127	S119-G123 PolarHBondContact O-N 2.89Å; E120-G123 PolarHBondContact O-N 3.45Å; G123-A126 PolarHBondContact O-N 3.35Å; G123-E127 WeakPolarHBondContact O-CB 3.44Å; G123-E127 PolarHBondContact O-N 3.43Å
124	K	92.9	Very high	91.4	Very high	81 Å²	81	55 Å²	55	35%	0.352	29%	0.294	S	S	.	.	H	α-helix	trans	-66.2	-40.9	179.1	-162.7	70.3	-171.1	163.1	0	112.4	F109 V113 L116 E120 R121 L122 E127 N128	F109-K124 HydrophobicContact CE2-CG 4.32Å; F109-K124 HydrophobicContact CZ-CG 4.34Å; V113-K124 HydrophobicContact CG2-CB 4.42Å; V113-K124 HydrophobicContact CG2-CG 4.06Å; L116-K124 HydrophobicContact CD1-CB 3.94Å; L116-K124 HydrophobicContact CD1-CG 4.24Å; E120-K124 VanDerWaalsContact O-CB 3.26Å; E120-K124 WeakPolarHBondContact O-CB 3.42Å; E120-K124 PolarHBondContact O-N 3.05Å; R121-K124 PolarHBondContact O-N 2.97Å; L122-K124 VanDerWaalsContact C-N 3.34Å; L122-K124 PolarHBondContact O-N 2.92Å; K124-E127 IonicContact NZ-OE2 2.88Å; K124-E127 PolarHBondContact NZ-OE2 3.27Å; K124-N128 WeakPolarHBondContact O-CB 3.36Å; K124-N128 PolarHBondContact O-N 3.46Å; K124-N128 PolarHBondContact O-ND2 2.96Å
125	L	92.4	Very high	91.3	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-65.2	-42	175.8	-71.1	169.1	0	0	0	111.7	F109 V113 R121 L122 N128 G129 A130 I131 C171 L175	F109-L125 HydrophobicContact CE1-CD2 4.02Å; V113-L125 HydrophobicContact CG1-CD1 3.99Å; V113-L125 HydrophobicContact CG1-CD2 3.88Å; V113-L125 HydrophobicContact CG1-CG 3.73Å; V113-L125 HydrophobicContact CG2-CD2 4.37Å; R121-L125 HydrophobicContact CG-CD1 4.05Å; R121-L125 WeakPolarHBondContact O-CB 3.49Å; R121-L125 VanDerWaalsContact O-CG 3.28Å; R121-L125 WeakPolarHBondContact O-CG 3.49Å; R121-L125 PolarHBondContact O-N 3.36Å; L122-L125 PolarHBondContact O-N 2.77Å; L125-N128 PolarHBondContact O-N 3.04Å; L125-G129 PolarHBondContact O-N 2.78Å; L125-A130 HydrophobicContact CD2-CB 3.87Å; L125-A130 PolarHBondContact O-N 3.46Å; L125-I131 HydrophobicContact CB-CG1 3.8Å; L125-C171 HydrophobicContact CD2-CB 4.11Å; L125-L175 HydrophobicContact CD1-CD1 3.59Å; L125-L175 HydrophobicContact CD1-CD2 3.85Å; L125-L175 HydrophobicContact CD1-CG 3.57Å
126	A	89.8	Confident	91.2	Very high	32 Å²	32	48 Å²	48	26%	0.264	27%	0.271	S	S	.	.	H	α-helix	trans	-66.4	-50.2	180	0	0	0	0	0	112.4	L122 G123 N128 G129 I131 H728	L122-A126 WeakPolarHBondContact O-CB 3.43Å; L122-A126 PolarHBondContact O-N 2.76Å; G123-A126 PolarHBondContact O-N 3.35Å; A126-N128 PolarHBondContact O-N 2.91Å; A126-N128 VanDerWaalsContact O-N 3.09Å; A126-G129 PolarHBondContact O-N 3.08Å; A126-G129 VanDerWaalsContact O-N 3.07Å; A126-I131 HydrophobicContact CB-CD1 4.14Å; A126-H728 VanDerWaalsContact CB-CE1 3.44Å; A126-H728 WeakPolarHBondContact CB-CE1 3.49Å; A126-H728 WeakPolarHBondContact CB-NE2 3.44Å
127	E	90.9	Very high	90.6	Very high	141 Å²	141	46.3 Å²	46.3	66%	0.659	26%	0.264	S	S	*	.	H	α-helix	trans	-52.3	-34.5	177	-177.4	-165.6	-157.9	0	0	111.7	G123 K124	G123-E127 WeakPolarHBondContact O-CB 3.44Å; G123-E127 PolarHBondContact O-N 3.43Å; K124-E127 IonicContact NZ-OE2 2.88Å; K124-E127 PolarHBondContact NZ-OE2 3.27Å
128	N	91.6	Very high	90.1	Very high	29 Å²	29	48.5 Å²	48.5	16%	0.155	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.9	5.5	-173.4	-71.8	-82.4	0	0	0	114	R103 F109 K124 L125 A126 A130	R103-N128 HydrophobicContact CB-CB 4.48Å; R103-N128 WeakPolarHBondContact CD-OD1 3.43Å; R103-N128 PolarHBondContact NH1-OD1 3.1Å; F109-N128 HydrophobicContact CE2-CB 4.18Å; F109-N128 HydrophobicContact CZ-CB 3.74Å; K124-N128 WeakPolarHBondContact O-CB 3.36Å; K124-N128 PolarHBondContact O-N 3.46Å; K124-N128 PolarHBondContact O-ND2 2.96Å; L125-N128 PolarHBondContact O-N 3.04Å; A126-N128 PolarHBondContact O-N 2.91Å; A126-N128 VanDerWaalsContact O-N 3.09Å; N128-A130 HydrophobicContact CB-CB 4.12Å; N128-A130 PolarHBondContact O-N 2.58Å
129	G	87.7	Confident	89.5	Confident	62 Å²	62	50.6 Å²	50.6	64%	0.639	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.6	32.5	-175.6	0	0	0	0	0	112.6	L125 A126	L125-G129 PolarHBondContact O-N 2.78Å; A126-G129 PolarHBondContact O-N 3.08Å; A126-G129 VanDerWaalsContact O-N 3.07Å
130	A	91.9	Very high	89.2	Confident	1 Å²	1	48.8 Å²	48.8	1%	0.008	28%	0.278	C	S	.	.			trans	-107.8	8	-167.9	0	0	0	0	0	113.6	R103 F109 L125 N128 V132	R103-A130 HydrophobicContact CB-CB 4.14Å; F109-A130 HydrophobicContact CD1-CB 4.34Å; F109-A130 HydrophobicContact CE1-CB 3.45Å; F109-A130 VanDerWaalsContact CE1-CB 3.45Å; F109-A130 HydrophobicContact CZ-CB 4.03Å; L125-A130 HydrophobicContact CD2-CB 3.87Å; L125-A130 PolarHBondContact O-N 3.46Å; N128-A130 HydrophobicContact CB-CB 4.12Å; N128-A130 PolarHBondContact O-N 2.58Å; A130-V132 PolarHBondContact O-N 2.74Å; A130-V132 VanDerWaalsContact O-N 3.16Å
131	I	91.5	Very high	88.7	Confident	38 Å²	38	49.5 Å²	49.5	20%	0.195	28%	0.276	C	S	.	.			trans	-68.5	110	172.2	-60.5	177	0	0	0	108.9	L122 L125 A126 L133 L175	L122-I131 HydrophobicContact CD1-CD1 4.17Å; L125-I131 HydrophobicContact CB-CG1 3.8Å; A126-I131 HydrophobicContact CB-CD1 4.14Å; I131-L133 HydrophobicContact CG2-CD2 3.73Å; I131-L133 HydrophobicContact CG2-CG 4.3Å; I131-L175 HydrophobicContact CG1-CD1 4.48Å; I131-L175 HydrophobicContact CG2-CD1 4.14Å
132	V	92.8	Very high	88.2	Confident	12 Å²	12	52.7 Å²	52.7	7%	0.073	29%	0.293	C	S	.	.			trans	-95.6	124.3	176.5	-176.7	0	0	0	0	109.3	G104 A130 N169 C171 F172	G104-V132 WeakPolarHBondContact O-CG2 3.45Å; A130-V132 PolarHBondContact O-N 2.74Å; A130-V132 VanDerWaalsContact O-N 3.16Å; V132-N169 WeakPolarHBondContact CG1-OD1 3.27Å; V132-C171 HydrophobicContact CG2-CB 4.02Å; V132-F172 HydrophobicContact CB-CB 4.12Å; V132-F172 HydrophobicContact CG1-CB 4.05Å
133	L	93.1	Very high	88	Confident	27 Å²	27	52 Å²	52	14%	0.141	29%	0.29	C	S	.	.			trans	-106.1	-1.5	-176.1	-58.9	177.8	0	0	0	113.6	I131 Y176 P418 E420 R421 L424	I131-L133 HydrophobicContact CG2-CD2 3.73Å; I131-L133 HydrophobicContact CG2-CG 4.3Å; L133-Y176 HydrophobicContact CD2-CE2 4.01Å; L133-P418 HydrophobicContact CD1-CG 3.47Å; L133-P418 VanDerWaalsContact CD1-CG 3.47Å; L133-E420 HydrophobicContact CB-CB 4.32Å; L133-E420 HydrophobicContact CB-CG 3.94Å; L133-E420 HydrophobicContact CD1-CB 4.46Å; L133-E420 VanDerWaalsContact O-CG 3.28Å; L133-E420 WeakPolarHBondContact O-CG 3.47Å; L133-R421 HydrophobicContact CD1-CB 3.93Å; L133-R421 HydrophobicContact CD2-CB 3.83Å; L133-R421 HydrophobicContact CD2-CG 4.08Å; L133-L424 HydrophobicContact CB-CD1 4.42Å; L133-L424 HydrophobicContact CD2-CD1 4.35Å; L133-L424 WeakPolarHBondContact O-CD1 3.26Å
134	F	90.5	Very high	88	Confident	146 Å²	146	50.8 Å²	50.8	64%	0.64	28%	0.276	S	S	*	.	S	Bend	trans	-118.6	135.9	-178.1	-62.7	-75.2	0	0	0	110.6	D136 N169 F172 E420	F134-D136 PolarHBondContact O-N 3.45Å; F134-N169 PolarHBondContact O-ND2 2.92Å; F134-F172 WeakPolarHBondContact O-CD2 3.47Å; F134-E420 HydrophobicContact CE1-CG 4.24Å
135	E	90	Very high	87.6	Confident	28 Å²	28	48.4 Å²	48.4	13%	0.131	27%	0.271	C	S	.	.			trans	-76.9	111.7	173	-168.7	-177.7	150	0	0	110.1	A137 R140 N169 F172 T178 M179 L337	E135-A137 PolarHBondContact O-N 2.92Å; E135-A137 VanDerWaalsContact O-N 3.07Å; E135-R140 IonicContact OE1-CZ 2.86Å; E135-R140 IonicContact OE1-NE 3.63Å; E135-R140 IonicContact OE1-NH2 3.79Å; E135-R140 PolarHBondContact OE1-NH2 2.77Å; E135-N169 WeakPolarHBondContact CA-ND2 3.36Å; E135-F172 HydrophobicContact CB-CE1 4.09Å; E135-F172 HydrophobicContact CB-CE2 4.27Å; E135-F172 HydrophobicContact CB-CZ 3.86Å; E135-F172 HydrophobicContact CG-CE1 4.04Å; E135-F172 HydrophobicContact CG-CZ 4.28Å; E135-T178 HydrophobicContact CG-CG2 4.12Å; E135-T178 WeakPolarHBondContact OE1-CB 3.48Å; E135-T178 WeakPolarHBondContact OE2-CA 3.2Å; E135-M179 PolarHBondContact OE2-N 3.43Å; E135-L337 HydrophobicContact CB-CD2 4.47Å
136	D	87.2	Confident	87.4	Confident	48 Å²	48	56 Å²	56	26%	0.257	30%	0.3	S	S	.	.			trans	-70.5	97.7	166.7	179	11.7	0	0	0	109.4	F134 T138 R168 N169	F134-D136 PolarHBondContact O-N 3.45Å; D136-T138 VanDerWaalsContact OD1-CB 3.26Å; D136-T138 WeakPolarHBondContact OD1-CB 3.47Å; D136-T138 VanDerWaalsContact OD1-CG2 3.29Å; D136-T138 WeakPolarHBondContact OD1-CG2 3.42Å; D136-T138 PolarHBondContact OD1-N 3.46Å; D136-T138 PolarHBondContact OD1-OG1 3.45Å; D136-R168 IonicContact OD2-CZ 3.88Å; D136-R168 IonicContact OD2-NE 3.07Å; D136-R168 PolarHBondContact OD2-NE 3.33Å; D136-R168 IonicContact OD2-NH2 3.79Å; D136-N169 HydrophobicContact CB-CB 3.96Å; D136-N169 PolarHBondContact N-ND2 3.29Å
137	A	81.5	Confident	87.3	Confident	11 Å²	11	57.3 Å²	57.3	9%	0.091	30%	0.303	C	S	.	.			trans	-104.1	17.7	172.5	0	0	0	0	0	112.8	E135 S139 R140 L142 L337	E135-A137 PolarHBondContact O-N 2.92Å; E135-A137 VanDerWaalsContact O-N 3.07Å; A137-S139 PolarHBondContact O-N 3.45Å; A137-R140 HydrophobicContact CB-CG 4.22Å; A137-R140 PolarHBondContact O-N 2.9Å; A137-L142 HydrophobicContact CB-CD1 4.21Å; A137-L142 HydrophobicContact CB-CD2 3.46Å; A137-L142 VanDerWaalsContact CB-CD2 3.46Å; A137-L142 HydrophobicContact CB-CG 4.03Å; A137-L337 HydrophobicContact CB-CD2 4.11Å
138	T	81.7	Confident	87.2	Confident	109 Å²	109	51.4 Å²	51.4	67%	0.669	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-18.9	-176.2	59.4	0	0	0	0	113.9	D136 R168	D136-T138 VanDerWaalsContact OD1-CB 3.26Å; D136-T138 WeakPolarHBondContact OD1-CB 3.47Å; D136-T138 VanDerWaalsContact OD1-CG2 3.29Å; D136-T138 WeakPolarHBondContact OD1-CG2 3.42Å; D136-T138 PolarHBondContact OD1-N 3.46Å; D136-T138 PolarHBondContact OD1-OG1 3.45Å; T138-R168 PolarHBondContact OG1-NH2 2.59Å
139	S	77.1	Confident	86.9	Confident	54 Å²	54	51 Å²	51	38%	0.378	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.9	0.7	-179	71.6	0	0	0	0	114.5	A137	A137-S139 PolarHBondContact O-N 3.45Å
140	R	82.6	Confident	87	Confident	21 Å²	21	50 Å²	50	8%	0.079	26%	0.255	C	S	.	.	S	Bend	trans	-141.5	148.5	-172.7	63.8	-166.9	-166.3	88.4	-16.8	110.7	E135 A137 L142 D162 D180	E135-R140 IonicContact OE1-CZ 2.86Å; E135-R140 IonicContact OE1-NE 3.63Å; E135-R140 IonicContact OE1-NH2 3.79Å; E135-R140 PolarHBondContact OE1-NH2 2.77Å; A137-R140 HydrophobicContact CB-CG 4.22Å; A137-R140 PolarHBondContact O-N 2.9Å; R140-L142 PolarHBondContact O-N 3.36Å; R140-D162 HydrophobicContact CB-CB 4.31Å; R140-D180 IonicContact CZ-OD1 3.7Å; R140-D180 IonicContact CZ-OD2 3.58Å; R140-D180 IonicContact NH1-OD1 2.89Å; R140-D180 IonicContact NH1-OD2 3.9Å; R140-D180 PolarHBondContact NH1-OD2 3.04Å; R140-D180 IonicContact NH2-OD1 3.19Å; R140-D180 PolarHBondContact NH2-OD1 2.84Å; R140-D180 IonicContact NH2-OD2 2.78Å; R140-D180 PolarHBondContact NH2-OD2 3.48Å; R140-D180 VanDerWaalsContact NH2-OD2 3.14Å
141	R	82.4	Confident	86.7	Confident	120 Å²	120	50.5 Å²	50.5	45%	0.453	26%	0.259	S	S	.	.			trans	-66.4	121.9	172.9	-175.9	179.2	175.5	-172	-2.6	109.9	T143 D162	R141-T143 PolarHBondContact O-N 2.9Å; R141-D162 WeakPolarHBondContact CB-OD2 3.47Å; R141-D162 PolarHBondContact N-OD2 3.04Å; R141-D162 VanDerWaalsContact N-OD2 3.07Å
142	L	83.7	Confident	86.6	Confident	68 Å²	68	49 Å²	49	36%	0.356	25%	0.251	S	S	.	.			trans	-76.6	121.6	168.1	-68.9	-178	0	0	0	109.2	A137 R140 L337 P338	A137-L142 HydrophobicContact CB-CD1 4.21Å; A137-L142 HydrophobicContact CB-CD2 3.46Å; A137-L142 VanDerWaalsContact CB-CD2 3.46Å; A137-L142 HydrophobicContact CB-CG 4.03Å; R140-L142 PolarHBondContact O-N 3.36Å; L142-L337 HydrophobicContact CD1-CD2 4.07Å; L142-L337 HydrophobicContact CD2-CB 4.1Å; L142-L337 HydrophobicContact CD2-CD2 3.97Å; L142-P338 HydrophobicContact CB-CG 3.98Å
143	T	86.9	Confident	86.2	Confident	25 Å²	25	50.7 Å²	50.7	15%	0.153	26%	0.258	C	S	.	.			trans	-119.4	115.6	-176.4	-49.4	0	0	0	0	108.4	R141 D147 M148 S336	R141-T143 PolarHBondContact O-N 2.9Å; T143-D147 HydrophobicContact CG2-CB 3.58Å; T143-M148 HydrophobicContact CG2-CB 4.39Å; T143-M148 HydrophobicContact CG2-CG 3.42Å; T143-M148 VanDerWaalsContact CG2-CG 3.42Å; T143-S336 WeakPolarHBondContact O-CB 3.44Å; T143-S336 PolarHBondContact O-OG 3.39Å
144	S	89.6	Confident	86	Confident	14 Å²	14	56.6 Å²	56.6	10%	0.098	29%	0.285	C	S	.	.			trans	-72.8	162.4	168	67.5	0	0	0	0	111.1	R146 D147 M148 S336	S144-R146 PolarHBondContact O-N 3.19Å; S144-R146 PolarHBondContact OG-N 3.11Å; S144-D147 WeakPolarHBondContact CB-OD2 3.17Å; S144-D147 PolarHBondContact N-OD2 2.87Å; S144-D147 WeakPolarHBondContact O-CB 3.5Å; S144-D147 PolarHBondContact O-N 3.3Å; S144-D147 PolarHBondContact OG-N 3.27Å; S144-D147 VanDerWaalsContact OG-N 3.07Å; S144-D147 PolarHBondContact OG-OD2 2.97Å; S144-M148 WeakPolarHBondContact O-CG 3.45Å; S144-M148 PolarHBondContact O-N 3.11Å; S144-S336 VanDerWaalsContact CA-OG 3.3Å; S144-S336 WeakPolarHBondContact CA-OG 3.45Å
145	A	85.9	Confident	86	Confident	31 Å²	31	53.1 Å²	53.1	26%	0.256	27%	0.273	S	S	.	.	H	α-helix	trans	-55.1	-35	172	0	0	0	0	0	111.5	V149 D339	A145-V149 VanDerWaalsContact O-CG2 3.29Å; A145-V149 WeakPolarHBondContact O-CG2 3.5Å; A145-V149 PolarHBondContact O-N 2.84Å; A145-D339 WeakPolarHBondContact CB-OD2 3.38Å; A145-D339 PolarHBondContact N-OD2 3.23Å
146	R	86.9	Confident	86	Confident	158 Å²	158	52.9 Å²	52.9	60%	0.596	28%	0.278	S	S	*	.	H	α-helix	trans	-67.7	-39.3	174.6	-172.1	177.5	-174.3	172.2	2.5	112.4	D51 S144 V149 T150	D51-R146 IonicContact OD1-NH2 3.93Å; D51-R146 IonicContact OD2-CZ 3.67Å; D51-R146 IonicContact OD2-NE 3.42Å; D51-R146 IonicContact OD2-NH2 3.65Å; D51-R146 PolarHBondContact OD2-NH2 3.21Å; S144-R146 PolarHBondContact O-N 3.19Å; S144-R146 PolarHBondContact OG-N 3.11Å; R146-V149 PolarHBondContact O-N 3.26Å; R146-T150 WeakPolarHBondContact O-CB 3.43Å; R146-T150 PolarHBondContact O-N 2.83Å; R146-T150 PolarHBondContact O-OG1 3.25Å
147	D	89	Confident	86.3	Confident	61 Å²	61	51.7 Å²	51.7	33%	0.326	27%	0.273	S	S	.	.	H	α-helix	trans	-66	-39.1	177.5	-62.7	-46.5	0	0	0	111.5	T143 S144 T150 S151	T143-D147 HydrophobicContact CG2-CB 3.58Å; S144-D147 WeakPolarHBondContact CB-OD2 3.17Å; S144-D147 PolarHBondContact N-OD2 2.87Å; S144-D147 WeakPolarHBondContact O-CB 3.5Å; S144-D147 PolarHBondContact O-N 3.3Å; S144-D147 PolarHBondContact OG-N 3.27Å; S144-D147 VanDerWaalsContact OG-N 3.07Å; S144-D147 PolarHBondContact OG-OD2 2.97Å; D147-T150 PolarHBondContact O-N 3.4Å; D147-S151 WeakPolarHBondContact O-CB 3.47Å; D147-S151 PolarHBondContact O-N 3.33Å
148	M	87.7	Confident	86.8	Confident	17 Å²	17	51.5 Å²	51.5	8%	0.084	27%	0.27	C	S	.	.	H	α-helix	trans	-59.7	-51.8	175	-61.8	-176	79.7	0	0	110.5	T143 S144 T150 S151 N152 Q158 E322	T143-M148 HydrophobicContact CG2-CB 4.39Å; T143-M148 HydrophobicContact CG2-CG 3.42Å; T143-M148 VanDerWaalsContact CG2-CG 3.42Å; S144-M148 WeakPolarHBondContact O-CG 3.45Å; S144-M148 PolarHBondContact O-N 3.11Å; M148-T150 PolarHBondContact O-N 3.33Å; M148-S151 PolarHBondContact O-N 2.86Å; M148-N152 VanDerWaalsContact O-CB 3.25Å; M148-N152 WeakPolarHBondContact O-CB 3.07Å; M148-N152 PolarHBondContact O-N 3.24Å; M148-Q158 PolarHBondContact O-OE1 2.88Å; M148-E322 HydrophobicContact CE-CB 3.92Å; M148-E322 HydrophobicContact CE-CG 3.88Å; M148-E322 HydrophobicContact SD-CB 4.21Å
149	V	85.8	Confident	87.3	Confident	21 Å²	21	52.7 Å²	52.7	13%	0.127	26%	0.262	C	S	.	.	H	α-helix	trans	-57.6	-48.4	178.4	166.6	0	0	0	0	111.2	A145 R146 N152 Q153	A145-V149 VanDerWaalsContact O-CG2 3.29Å; A145-V149 WeakPolarHBondContact O-CG2 3.5Å; A145-V149 PolarHBondContact O-N 2.84Å; R146-V149 PolarHBondContact O-N 3.26Å; V149-N152 PolarHBondContact O-N 2.86Å; V149-Q153 WeakPolarHBondContact O-CG 3.45Å; V149-Q153 PolarHBondContact O-N 2.81Å; V149-Q153 PolarHBondContact O-NE2 3.3Å
150	T	88.6	Confident	88	Confident	40 Å²	40	54.8 Å²	54.8	25%	0.245	27%	0.266	C	S	.	.	H	α-helix	trans	-63.4	-44.5	178.5	-54	0	0	0	0	112	R146 D147 M148 N152 Q153 Q154	R146-T150 WeakPolarHBondContact O-CB 3.43Å; R146-T150 PolarHBondContact O-N 2.83Å; R146-T150 PolarHBondContact O-OG1 3.25Å; D147-T150 PolarHBondContact O-N 3.4Å; M148-T150 PolarHBondContact O-N 3.33Å; T150-N152 PolarHBondContact O-N 3.27Å; T150-Q153 PolarHBondContact O-N 3.49Å; T150-Q154 WeakPolarHBondContact O-CG 3.42Å; T150-Q154 PolarHBondContact O-N 3.14Å; T150-Q154 VanDerWaalsContact O-N 3.15Å
151	S	86.8	Confident	88.3	Confident	12 Å²	12	55 Å²	55	8%	0.084	27%	0.268	C	S	.	.	H	α-helix	trans	-62.9	-43.3	178.3	-175.5	0	0	0	0	111.4	D147 M148 Q153 Q154 L155	D147-S151 WeakPolarHBondContact O-CB 3.47Å; D147-S151 PolarHBondContact O-N 3.33Å; M148-S151 PolarHBondContact O-N 2.86Å; S151-Q153 VanDerWaalsContact C-N 3.32Å; S151-Q153 PolarHBondContact O-N 2.93Å; S151-Q154 PolarHBondContact O-N 3.42Å; S151-L155 WeakPolarHBondContact O-CB 3.27Å; S151-L155 WeakPolarHBondContact O-CG 3.17Å; S151-L155 PolarHBondContact O-N 3.27Å
152	N	89.2	Confident	88.5	Confident	7 Å²	7	53 Å²	53	4%	0.037	27%	0.267	C	S	.	.	H	α-helix	trans	-62.5	-38.8	178.3	-175.4	17.5	0	0	0	112	M148 V149 T150 G156 L263 S306	M148-N152 VanDerWaalsContact O-CB 3.25Å; M148-N152 WeakPolarHBondContact O-CB 3.07Å; M148-N152 PolarHBondContact O-N 3.24Å; V149-N152 PolarHBondContact O-N 2.86Å; T150-N152 PolarHBondContact O-N 3.27Å; N152-G156 WeakPolarHBondContact O-CA 3.49Å; N152-G156 PolarHBondContact O-N 3.23Å; N152-L263 PolarHBondContact ND2-O 3.01Å; N152-S306 PolarHBondContact ND2-OG 2.94Å; N152-S306 VanDerWaalsContact OD1-CB 3.28Å; N152-S306 WeakPolarHBondContact OD1-CB 3.42Å; N152-S306 PolarHBondContact OD1-OG 2.81Å
153	Q	84.2	Confident	88.6	Confident	46 Å²	46	52.2 Å²	52.2	22%	0.215	28%	0.275	C	S	.	.	H	α-helix	trans	-62.5	-46.7	174	-78.5	148.1	45.5	0	0	113	T52 V149 T150 S151 P265	T52-Q153 HydrophobicContact CG2-CG 3.94Å; V149-Q153 WeakPolarHBondContact O-CG 3.45Å; V149-Q153 PolarHBondContact O-N 2.81Å; V149-Q153 PolarHBondContact O-NE2 3.3Å; T150-Q153 PolarHBondContact O-N 3.49Å; S151-Q153 VanDerWaalsContact C-N 3.32Å; S151-Q153 PolarHBondContact O-N 2.93Å; Q153-P265 HydrophobicContact CB-CG 4.11Å; Q153-P265 HydrophobicContact CG-CB 4.37Å; Q153-P265 HydrophobicContact CG-CG 3.47Å; Q153-P265 VanDerWaalsContact CG-CG 3.47Å
154	Q	88.5	Confident	88.6	Confident	152 Å²	152	51.8 Å²	51.8	71%	0.71	27%	0.273	S	S	*	.	H	α-helix	trans	-68	-37.2	-176	-70.8	175.2	-3.3	0	0	112.2	T150 S151	T150-Q154 WeakPolarHBondContact O-CG 3.42Å; T150-Q154 PolarHBondContact O-N 3.14Å; T150-Q154 VanDerWaalsContact O-N 3.15Å; S151-Q154 PolarHBondContact O-N 3.42Å
155	L	90.6	Very high	88.7	Confident	72 Å²	72	55.4 Å²	55.4	38%	0.377	29%	0.292	S	S	.	.	H	α-helix	trans	-97.7	-22.1	-173.3	-59.3	173	0	0	0	113.6	S151 C157 R159	S151-L155 WeakPolarHBondContact O-CB 3.27Å; S151-L155 WeakPolarHBondContact O-CG 3.17Å; S151-L155 PolarHBondContact O-N 3.27Å; L155-C157 PolarHBondContact O-N 2.83Å; L155-R159 HydrophobicContact CD1-CG 3.66Å
156	G	89.9	Confident	89	Confident	23 Å²	23	54.2 Å²	54.2	24%	0.237	28%	0.282	C	S	.	.	S	Bend	trans	67.9	15.7	-168.9	0	0	0	0	0	113.6	N152 L264	N152-G156 WeakPolarHBondContact O-CA 3.49Å; N152-G156 PolarHBondContact O-N 3.23Å; G156-L264 VanDerWaalsContact O-CD2 3.3Å; G156-L264 WeakPolarHBondContact O-CD2 3.27Å
157	C	93.5	Very high	89.2	Confident	23 Å²	23	54 Å²	54	16%	0.155	28%	0.281	C	S	.	.	S	Bend	trans	-154.9	158.8	175.8	63.2	0	0	0	0	109.3	L155 P307 C309	L155-C157 PolarHBondContact O-N 2.83Å; C157-P307 WeakPolarHBondContact CA-O 3.41Å; C157-P307 HydrophobicContact CB-CG 4Å; C157-P307 WeakPolarHBondContact CB-O 3.44Å; C157-C309 HydrophobicContact CB-CB 3.96Å; C157-C309 WeakPolarHBondContact CB-SG 3.49Å; C157-C309 WeakPolarHBondContact SG-CA 3.24Å; C157-C309 WeakPolarHBondContact SG-CB 3.46Å; C157-C309 CovalentContact SG-SG 2.04Å; C157-C309 PolarHBondContact SG-SG 3.05Å
158	Q	92.4	Very high	89.3	Confident	7 Å²	7	57 Å²	57	3%	0.033	29%	0.287	C	S	.	.	B	Isolated β-bridge	trans	-94.3	126.5	176.2	-174.6	60.9	23.1	0	0	109.6	M148 P307 C309 V320	M148-Q158 PolarHBondContact O-OE1 2.88Å; Q158-P307 PolarHBondContact N-O 3.15Å; Q158-C309 PolarHBondContact O-N 3.39Å; Q158-C309 PolarHBondContact O-SG 3.49Å; Q158-C309 VanDerWaalsContact O-SG 3.36Å; Q158-V320 HydrophobicContact CB-CB 4.11Å; Q158-V320 HydrophobicContact CB-CG1 4.34Å; Q158-V320 HydrophobicContact CB-CG2 3.86Å; Q158-V320 HydrophobicContact CG-CB 3.98Å; Q158-V320 HydrophobicContact CG-CG1 3.66Å; Q158-V320 HydrophobicContact CG-CG2 4.09Å
159	R	92.2	Very high	89.4	Confident	135 Å²	135	56.3 Å²	56.3	51%	0.509	28%	0.284	S	S	.	.	P	Polyproline II helix	trans	-73.2	138.9	172.1	-69.4	-173.9	178.8	178.3	5	109.3	L155	L155-R159 HydrophobicContact CD1-CG 3.66Å
160	E	91	Very high	89.8	Confident	97 Å²	97	55.6 Å²	55.6	45%	0.453	28%	0.28	S	S	.	.	P	Polyproline II helix	trans	-63.4	147.6	171.8	-154.6	164.2	-158.9	0	0	110.3	G195 T196 L308	E160-G195 WeakPolarHBondContact CA-O 2.76Å; E160-T196 HydrophobicContact CG-CG2 4.49Å; E160-L308 HydrophobicContact CB-CD1 3.86Å; E160-L308 HydrophobicContact CG-CD1 4.18Å
161	Q	89.5	Confident	90.1	Very high	25 Å²	25	53.7 Å²	53.7	12%	0.117	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-58.6	136.9	171.1	-174	70.9	-23	0	0	111.1	D180 T182 L190 A194 G195 T196	Q161-D180 PolarHBondContact NE2-OD2 3.22Å; Q161-T182 HydrophobicContact CG-CG2 4.47Å; Q161-L190 HydrophobicContact CB-CD2 4.29Å; Q161-L190 HydrophobicContact CG-CD2 4.18Å; Q161-A194 WeakPolarHBondContact CB-O 3.48Å; Q161-G195 PolarHBondContact N-O 3.37Å; Q161-T196 HydrophobicContact CB-CG2 4.4Å
162	D	87.7	Confident	90.5	Very high	80 Å²	80	53.3 Å²	53.3	43%	0.428	27%	0.265	S	S	.	.	P	Polyproline II helix	trans	-61.1	142.7	176.3	-64	-33.4	0	0	0	110.8	R140 R141	R140-D162 HydrophobicContact CB-CB 4.31Å; R141-D162 WeakPolarHBondContact CB-OD2 3.47Å; R141-D162 PolarHBondContact N-OD2 3.04Å; R141-D162 VanDerWaalsContact N-OD2 3.07Å
163	G	84.8	Confident	90.7	Very high	51 Å²	51	53.5 Å²	53.5	53%	0.526	27%	0.265	S	S	.	.	P	Polyproline II helix	trans	-56.5	150.4	172.4	0	0	0	0	0	112.5
164	A	87	Confident	91.2	Very high	15 Å²	15	51.3 Å²	51.3	12%	0.124	26%	0.255	C	S	.	.			trans	-117.4	135.1	-179.3	0	0	0	0	0	111.4	C166 T182 P189	A164-C166 PolarHBondContact O-N 3.22Å; A164-T182 HydrophobicContact CB-CG2 4.41Å; A164-P189 HydrophobicContact CB-CB 4.12Å; A164-P189 WeakPolarHBondContact O-CB 3.33Å; A164-P189 VanDerWaalsContact O-CG 3.25Å; A164-P189 WeakPolarHBondContact O-CG 3.35Å
165	N	91.4	Very high	91.5	Very high	90 Å²	90	44.4 Å²	44.4	48%	0.481	22%	0.223	S	C	.	.			trans	-91.8	92.8	170.7	-178.4	-2.3	0	0	0	110.2	R167 R168	N165-R167 PolarHBondContact O-N 2Å; N165-R167 VanDerWaalsContact O-N 3.11Å; N165-R167 WeakPolarHBondContact OD1-CB 3.39Å; N165-R167 PolarHBondContact OD1-N 3.11Å; N165-R168 HydrophobicContact CB-CG 4.23Å; N165-R168 PolarHBondContact O-N 3.31Å
166	C	92.8	Very high	91.8	Very high	7 Å²	7	41.2 Å²	41.2	5%	0.047	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-60.8	-23.3	-175.7	-50.2	0	0	0	0	114.2	A164 R168 N169 L170 H173 C183 L186	A164-C166 PolarHBondContact O-N 3.22Å; C166-R168 PolarHBondContact O-N 3.41Å; C166-N169 PolarHBondContact O-N 3.11Å; C166-L170 PolarHBondContact O-N 2.92Å; C166-H173 PolarHBondContact O-CD2 3.42Å; C166-H173 VanDerWaalsContact O-CD2 3.29Å; C166-C183 WeakPolarHBondContact CA-SG 3.19Å; C166-C183 HydrophobicContact CB-CB 3.71Å; C166-C183 WeakPolarHBondContact CB-SG 3.35Å; C166-C183 WeakPolarHBondContact SG-CA 3.3Å; C166-C183 WeakPolarHBondContact SG-CB 3.43Å; C166-C183 CovalentContact SG-SG 2.04Å; C166-C183 PolarHBondContact SG-SG 2.92Å; C166-L186 HydrophobicContact CB-CD2 3.92Å
167	R	91.5	Very high	92.1	Very high	152 Å²	152	41.5 Å²	41.5	57%	0.574	20%	0.2	S	C	*	.	G	3₁₀ helix	trans	-64.9	-22.7	179.4	-74	-178.5	153.2	172.4	-5.2	113.2	E111 N165 N169	E111-R167 IonicContact OE1-CZ 3.24Å; E111-R167 VanDerWaalsContact OE1-CZ 3.24Å; E111-R167 IonicContact OE1-NE 3.22Å; E111-R167 PolarHBondContact OE1-NE 2.89Å; E111-R167 IonicContact OE1-NH2 2.81Å; E111-R167 PolarHBondContact OE1-NH2 3.16Å; E111-R167 IonicContact OE2-NH2 3.98Å; N165-R167 PolarHBondContact O-N 2Å; N165-R167 VanDerWaalsContact O-N 3.11Å; N165-R167 WeakPolarHBondContact OD1-CB 3.39Å; N165-R167 PolarHBondContact OD1-N 3.11Å; R167-N169 VanDerWaalsContact C-N 3.26Å; R167-N169 PolarHBondContact O-N 2.68Å
168	R	89.5	Confident	92.3	Very high	124 Å²	124	40.6 Å²	40.6	47%	0.468	19%	0.194	S	C	.	.	G	3₁₀ helix	trans	-67.1	-25.6	-179.9	-64.6	-178.6	65.2	99.5	-4.3	113.6	D136 T138 N165 C166	D136-R168 IonicContact OD2-CZ 3.88Å; D136-R168 IonicContact OD2-NE 3.07Å; D136-R168 PolarHBondContact OD2-NE 3.33Å; D136-R168 IonicContact OD2-NH2 3.79Å; T138-R168 PolarHBondContact OG1-NH2 2.59Å; N165-R168 HydrophobicContact CB-CG 4.23Å; N165-R168 PolarHBondContact O-N 3.31Å; C166-R168 PolarHBondContact O-N 3.41Å
169	N	90.8	Very high	92.4	Very high	3 Å²	3	40.6 Å²	40.6	2%	0.016	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-136.6	37.1	-175.4	-155.2	13.4	0	0	0	112.8	V132 F134 E135 D136 C166 R167 C171 F172 H173	V132-N169 WeakPolarHBondContact CG1-OD1 3.27Å; F134-N169 PolarHBondContact O-ND2 2.92Å; E135-N169 WeakPolarHBondContact CA-ND2 3.36Å; D136-N169 HydrophobicContact CB-CB 3.96Å; D136-N169 PolarHBondContact N-ND2 3.29Å; C166-N169 PolarHBondContact O-N 3.11Å; R167-N169 VanDerWaalsContact C-N 3.26Å; R167-N169 PolarHBondContact O-N 2.68Å; N169-C171 VanDerWaalsContact C-N 3.31Å; N169-C171 PolarHBondContact O-N 2.02Å; N169-F172 HydrophobicContact CB-CB 4.37Å; N169-F172 WeakPolarHBondContact ND2-CB 3.44Å; N169-F172 WeakPolarHBondContact ND2-CG 2.92Å; N169-F172 WeakPolarHBondContact O-CB 3.43Å; N169-F172 PolarHBondContact O-N 3.15Å; N169-F172 WeakPolarHBondContact OD1-CB 3.21Å; N169-H173 PolarHBondContact O-CD2 3.02Å; N169-H173 PolarHBondContact O-N 3.23Å
170	L	94	Very high	92.6	Very high	7 Å²	7	34.4 Å²	34.4	4%	0.037	17%	0.171	C	C	.	.	H	α-helix	trans	-64.4	-33.9	-166.3	-164	65.8	0	0	0	113.3	C110 E111 L114 C166 H173 A174 L186	C110-L170 HydrophobicContact CB-CB 3.63Å; C110-L170 HydrophobicContact CB-CD2 3.96Å; C110-L170 HydrophobicContact CB-CG 3.96Å; E111-L170 HydrophobicContact CB-CD2 4.11Å; E111-L170 HydrophobicContact CG-CD2 3.29Å; L114-L170 HydrophobicContact CD1-CD1 3.45Å; L114-L170 VanDerWaalsContact CD1-CD1 3.45Å; L114-L170 HydrophobicContact CD1-CD2 3.77Å; L114-L170 HydrophobicContact CD1-CG 3.5Å; L114-L170 VanDerWaalsContact CD1-CG 3.5Å; L114-L170 HydrophobicContact CG-CG 4.33Å; C166-L170 PolarHBondContact O-N 2.92Å; L170-H173 CarbonylContact O-C 3.48Å; L170-H173 PolarHBondContact O-N 3.13Å; L170-A174 PolarHBondContact O-N 3.17Å; L170-L186 HydrophobicContact CD1-CD1 4.26Å; L170-L186 HydrophobicContact CD1-CD2 4.1Å
171	C	94.3	Very high	92.9	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-69.5	-29.7	174.5	-77.7	0	0	0	0	113.2	G104 C110 L125 V132 N169 A174	G104-C171 WeakPolarHBondContact O-CB 3.28Å; C110-C171 VanDerWaalsContact CA-SG 3.56Å; C110-C171 HydrophobicContact CB-CB 4.06Å; C110-C171 WeakPolarHBondContact CB-SG 3.44Å; C110-C171 WeakPolarHBondContact SG-CB 3.25Å; C110-C171 PolarHBondContact SG-N 2.89Å; C110-C171 CovalentContact SG-SG 2.03Å; C110-C171 PolarHBondContact SG-SG 3.27Å; L125-C171 HydrophobicContact CD2-CB 4.11Å; V132-C171 HydrophobicContact CG2-CB 4.02Å; N169-C171 VanDerWaalsContact C-N 3.31Å; N169-C171 PolarHBondContact O-N 2.02Å; C171-A174 WeakPolarHBondContact O-CB 3.31Å; C171-A174 PolarHBondContact O-N 3.36Å
172	F	94.6	Very high	93.2	Very high	4 Å²	4	28.9 Å²	28.9	2%	0.018	15%	0.146	C	C	.	.	H	α-helix	trans	-65.5	-48.8	168.2	174.2	-89.9	0	0	0	109.7	V132 F134 E135 N169 A174 L175 Y176 T178 L424	V132-F172 HydrophobicContact CB-CB 4.12Å; V132-F172 HydrophobicContact CG1-CB 4.05Å; F134-F172 WeakPolarHBondContact O-CD2 3.47Å; E135-F172 HydrophobicContact CB-CE1 4.09Å; E135-F172 HydrophobicContact CB-CE2 4.27Å; E135-F172 HydrophobicContact CB-CZ 3.86Å; E135-F172 HydrophobicContact CG-CE1 4.04Å; E135-F172 HydrophobicContact CG-CZ 4.28Å; N169-F172 HydrophobicContact CB-CB 4.37Å; N169-F172 WeakPolarHBondContact ND2-CB 3.44Å; N169-F172 WeakPolarHBondContact ND2-CG 2.92Å; N169-F172 WeakPolarHBondContact O-CB 3.43Å; N169-F172 PolarHBondContact O-N 3.15Å; N169-F172 WeakPolarHBondContact OD1-CB 3.21Å; F172-A174 PolarHBondContact O-N 2.03Å; F172-A174 VanDerWaalsContact O-N 3.12Å; F172-L175 PolarHBondContact O-N 2.89Å; F172-Y176 HydrophobicContact CD2-CD2 4.24Å; F172-Y176 HydrophobicContact CE2-CD2 4.26Å; F172-Y176 PolarHBondContact O-N 2.94Å; F172-T178 HydrophobicContact CE1-CG2 4.32Å; F172-L424 HydrophobicContact CE2-CD1 4.19Å
173	H	94.5	Very high	93.6	Very high	10 Å²	10	25.2 Å²	25.2	5%	0.046	13%	0.127	C	C	.	.	H	α-helix	trans	-64.9	-14	177.9	-58	-45.7	0	0	0	113.8	C166 N169 L170 L175 T178 R663 F664	C166-H173 PolarHBondContact O-CD2 3.42Å; C166-H173 VanDerWaalsContact O-CD2 3.29Å; N169-H173 PolarHBondContact O-CD2 3.02Å; N169-H173 PolarHBondContact O-N 3.23Å; L170-H173 CarbonylContact O-C 3.48Å; L170-H173 PolarHBondContact O-N 3.13Å; H173-L175 VanDerWaalsContact C-N 3.33Å; H173-T178 WeakPolarHBondContact CE1-CG2 3.4Å; H173-R663 PolarHBondContact O-NH1 3.18Å; H173-R663 PolarHBondContact O-NH2 2.03Å; H173-F664 WeakPolarHBondContact O-CZ 3.25Å
174	A	94.4	Very high	94.2	Very high	1 Å²	1	23 Å²	23	1%	0.008	10%	0.103	C	C	.	.	H	α-helix	trans	-73	-27.1	172.9	0	0	0	0	0	112.4	V113 L114 R121 L170 C171 F172	V113-A174 HydrophobicContact CG1-CB 4.49Å; L114-A174 HydrophobicContact CD2-CB 3.65Å; L114-A174 HydrophobicContact CG-CB 4.32Å; R121-A174 VanDerWaalsContact CD-O 3.23Å; R121-A174 WeakPolarHBondContact CD-O 3.41Å; R121-A174 PolarHBondContact NH1-O 2.9Å; L170-A174 PolarHBondContact O-N 3.17Å; C171-A174 WeakPolarHBondContact O-CB 3.31Å; C171-A174 PolarHBondContact O-N 3.36Å; F172-A174 PolarHBondContact O-N 2.03Å; F172-A174 VanDerWaalsContact O-N 3.12Å
175	L	94.3	Very high	94.7	Very high	7 Å²	7	22.3 Å²	22.3	4%	0.037	10%	0.097	C	C	.	.	H	α-helix	trans	-114.6	-36.4	-176.7	-66.7	-179.1	0	0	0	114	R121 L122 L125 I131 F172 H173	R121-L175 HydrophobicContact CG-CD2 4.28Å; L122-L175 HydrophobicContact CD1-CD1 4.42Å; L122-L175 HydrophobicContact CD1-CD2 4.48Å; L125-L175 HydrophobicContact CD1-CD1 3.59Å; L125-L175 HydrophobicContact CD1-CD2 3.85Å; L125-L175 HydrophobicContact CD1-CG 3.57Å; I131-L175 HydrophobicContact CG1-CD1 4.48Å; I131-L175 HydrophobicContact CG2-CD1 4.14Å; F172-L175 PolarHBondContact O-N 2.89Å; H173-L175 VanDerWaalsContact C-N 3.33Å
176	Y	97.1	Very high	94.9	Very high	5 Å²	5	20.9 Å²	20.9	2%	0.02	9%	0.089	C	C	.	.			trans	-132.4	145.1	-166.1	-51.6	-60.3	0	0	0	113	L133 F172 L424 E425 F664	L133-Y176 HydrophobicContact CD2-CE2 4.01Å; F172-Y176 HydrophobicContact CD2-CD2 4.24Å; F172-Y176 HydrophobicContact CE2-CD2 4.26Å; F172-Y176 PolarHBondContact O-N 2.94Å; Y176-L424 HydrophobicContact CD1-CB 3.81Å; Y176-L424 HydrophobicContact CD2-CB 4.45Å; Y176-L424 HydrophobicContact CD2-CD1 3.79Å; Y176-L424 HydrophobicContact CE1-CB 3.8Å; Y176-L424 HydrophobicContact CE2-CB 4.42Å; Y176-L424 HydrophobicContact CE2-CD1 3.98Å; Y176-L424 HydrophobicContact CG-CB 4.16Å; Y176-L424 HydrophobicContact CG-CD1 4.12Å; Y176-E425 HydrophobicContact CE1-CG 4.39Å; Y176-E425 WeakPolarHBondContact CE1-OE1 3.38Å; Y176-E425 PolarHBondContact OH-OE1 3.5Å; Y176-F664 VanDerWaalsContact C-CZ 3.43Å; Y176-F664 WeakPolarHBondContact O-CZ 2.98Å
177	R	97.7	Very high	95	Very high	29 Å²	29	30.3 Å²	30.3	11%	0.109	12%	0.124	C	C	.	.			trans	-71.4	144.5	171.1	-61.7	173.2	-177	-90.1	1.7	110	R427 Q435 D662 F664	R177-R427 PolarHBondContact O-NH1 2.58Å; R177-Q435 VanDerWaalsContact NH2-NE2 3.14Å; R177-D662 IonicContact CZ-OD1 2.81Å; R177-D662 IonicContact CZ-OD2 3.34Å; R177-D662 IonicContact NH1-OD1 2.71Å; R177-D662 PolarHBondContact NH1-OD1 3.42Å; R177-D662 IonicContact NH1-OD2 3.91Å; R177-D662 PolarHBondContact NH1-OD2 3.14Å; R177-D662 VanDerWaalsContact NH1-OD2 3.17Å; R177-D662 IonicContact NH2-OD1 2.6Å; R177-D662 PolarHBondContact NH2-OD1 3.07Å; R177-D662 IonicContact NH2-OD2 3.14Å; R177-D662 PolarHBondContact NH2-OD2 3.2Å; R177-F664 HydrophobicContact CG-CB 3.9Å; R177-F664 HydrophobicContact CG-CD1 4Å; R177-F664 HydrophobicContact CG-CD2 3.66Å; R177-F664 HydrophobicContact CG-CE1 4.39Å; R177-F664 HydrophobicContact CG-CE2 4.05Å; R177-F664 HydrophobicContact CG-CG 3.62Å; R177-F664 HydrophobicContact CG-CZ 4.39Å; R177-F664 PolarHBondContact NH2-O 3.41Å
178	T	96.7	Very high	95.2	Very high	3 Å²	3	26.2 Å²	26.2	2%	0.018	11%	0.113	C	C	.	.			trans	-65	162	161.7	54.2	0	0	0	0	110.4	E135 F172 H173 G181 T182 R427	E135-T178 HydrophobicContact CG-CG2 4.12Å; E135-T178 WeakPolarHBondContact OE1-CB 3.48Å; E135-T178 WeakPolarHBondContact OE2-CA 3.2Å; F172-T178 HydrophobicContact CE1-CG2 4.32Å; H173-T178 WeakPolarHBondContact CE1-CG2 3.4Å; T178-G181 PolarHBondContact OG1-N 3.37Å; T178-T182 VanDerWaalsContact CG2-O 3.26Å; T178-T182 WeakPolarHBondContact CG2-O 3.45Å; T178-T182 PolarHBondContact OG1-N 3.18Å; T178-T182 PolarHBondContact OG1-O 3.02Å; T178-R427 PolarHBondContact O-NH2 2.82Å
179	M	95.6	Very high	95.5	Very high	8 Å²	8	21.6 Å²	21.6	4%	0.039	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-28.1	179.1	-68.2	-59	172.3	0	0	113.7	E135 S335 L337 S340 F423 R427	E135-M179 PolarHBondContact OE2-N 3.43Å; M179-S335 CarbonylContact O-C 3.36Å; M179-S335 WeakPolarHBondContact O-CA 3.38Å; M179-L337 HydrophobicContact CB-CB 4.09Å; M179-L337 HydrophobicContact CB-CD1 4.42Å; M179-L337 HydrophobicContact CG-CB 4.3Å; M179-L337 HydrophobicContact CG-CD1 3.72Å; M179-S340 WeakPolarHBondContact CE-OG 3.41Å; M179-S340 PolarHBondContact SD-OG 3.13Å; M179-S340 VanDerWaalsContact SD-OG 3.33Å; M179-F423 HydrophobicContact CE-CE1 3.54Å; M179-F423 HydrophobicContact CE-CZ 3.99Å; M179-R427 PolarHBondContact SD-NH1 2.81Å
180	D	95.3	Very high	95.8	Very high	4 Å²	4	23.3 Å²	23.3	2%	0.021	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.1	12.1	-177.8	73.2	-25.8	0	0	0	113.5	R140 Q161 T182 A193 A194 T324 S335	R140-D180 IonicContact CZ-OD1 3.7Å; R140-D180 IonicContact CZ-OD2 3.58Å; R140-D180 IonicContact NH1-OD1 2.89Å; R140-D180 IonicContact NH1-OD2 3.9Å; R140-D180 PolarHBondContact NH1-OD2 3.04Å; R140-D180 IonicContact NH2-OD1 3.19Å; R140-D180 PolarHBondContact NH2-OD1 2.84Å; R140-D180 IonicContact NH2-OD2 2.78Å; R140-D180 PolarHBondContact NH2-OD2 3.48Å; R140-D180 VanDerWaalsContact NH2-OD2 3.14Å; Q161-D180 PolarHBondContact NE2-OD2 3.22Å; D180-T182 PolarHBondContact O-N 3.07Å; D180-T182 WeakPolarHBondContact OD1-CB 2.99Å; D180-T182 WeakPolarHBondContact OD1-CG2 3.32Å; D180-T182 PolarHBondContact OD1-N 2.84Å; D180-T182 PolarHBondContact OD1-OG1 3.23Å; D180-T182 VanDerWaalsContact OD2-CG2 3.27Å; D180-T182 WeakPolarHBondContact OD2-CG2 3.19Å; D180-A193 CarbonylContact O-C 3.54Å; D180-A193 VanDerWaalsContact O-CA 3.23Å; D180-A193 WeakPolarHBondContact O-CA 3.48Å; D180-A194 HydrophobicContact CB-CB 4.35Å; D180-A194 PolarHBondContact O-N 2.78Å; D180-T324 WeakPolarHBondContact O-CG2 3.43Å; D180-S335 VanDerWaalsContact CA-O 3.31Å; D180-S335 WeakPolarHBondContact CA-O 3.38Å; D180-S335 VanDerWaalsContact CB-O 3.31Å; D180-S335 WeakPolarHBondContact CB-O 3.22Å
181	G	96.6	Very high	96	Very high	3 Å²	3	26.3 Å²	26.3	3%	0.031	12%	0.119	C	C	.	.			trans	77.8	-2.7	175.8	0	0	0	0	0	115	T178	T178-G181 PolarHBondContact OG1-N 3.37Å
182	T	96	Very high	96.1	Very high	3 Å²	3	26.4 Å²	26.4	2%	0.018	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60	149.3	175.6	54.4	0	0	0	0	111.7	Q161 A164 T178 D180 N184 P189 L190 A193	Q161-T182 HydrophobicContact CG-CG2 4.47Å; A164-T182 HydrophobicContact CB-CG2 4.41Å; T178-T182 VanDerWaalsContact CG2-O 3.26Å; T178-T182 WeakPolarHBondContact CG2-O 3.45Å; T178-T182 PolarHBondContact OG1-N 3.18Å; T178-T182 PolarHBondContact OG1-O 3.02Å; D180-T182 PolarHBondContact O-N 3.07Å; D180-T182 WeakPolarHBondContact OD1-CB 2.99Å; D180-T182 WeakPolarHBondContact OD1-CG2 3.32Å; D180-T182 PolarHBondContact OD1-N 2.84Å; D180-T182 PolarHBondContact OD1-OG1 3.23Å; D180-T182 VanDerWaalsContact OD2-CG2 3.27Å; D180-T182 WeakPolarHBondContact OD2-CG2 3.19Å; T182-N184 PolarHBondContact O-N 3.36Å; T182-P189 CarbonylContact C-O 3.56Å; T182-P189 VanDerWaalsContact CA-O 3.26Å; T182-P189 WeakPolarHBondContact CA-O 3.47Å; T182-L190 HydrophobicContact CG2-CD2 4.2Å; T182-A193 HydrophobicContact CG2-CB 3.8Å
183	C	96	Very high	96.3	Very high	3 Å²	3	26.2 Å²	26.2	2%	0.02	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.1	19.5	178.2	-64.1	0	0	0	0	115.5	C166 P189 R663	C166-C183 WeakPolarHBondContact CA-SG 3.19Å; C166-C183 HydrophobicContact CB-CB 3.71Å; C166-C183 WeakPolarHBondContact CB-SG 3.35Å; C166-C183 WeakPolarHBondContact SG-CA 3.3Å; C166-C183 WeakPolarHBondContact SG-CB 3.43Å; C166-C183 CovalentContact SG-SG 2.04Å; C166-C183 PolarHBondContact SG-SG 2.92Å; C183-P189 PolarHBondContact N-O 3.16Å; C183-R663 PolarHBondContact O-NH2 3.07Å
184	N	97.4	Very high	96.3	Very high	4 Å²	4	26 Å²	26	2%	0.021	12%	0.119	C	C	.	.	S	Bend	trans	-62	-60.2	160.8	-169.7	-56.1	0	0	0	109.3	T182 F326 D662 R663	T182-N184 PolarHBondContact O-N 3.36Å; N184-F326 HydrophobicContact CB-CE1 4.06Å; N184-F326 HydrophobicContact CB-CE2 3.72Å; N184-F326 HydrophobicContact CB-CZ 3.33Å; N184-F326 VanDerWaalsContact CG-CE1 3.48Å; N184-F326 WeakPolarHBondContact ND2-CE1 3.26Å; N184-F326 VanDerWaalsContact ND2-CZ 3.28Å; N184-F326 WeakPolarHBondContact ND2-CZ 3.26Å; N184-D662 PolarHBondContact ND2-OD1 3.39Å; N184-R663 PolarHBondContact O-NE 3.25Å; N184-R663 WeakPolarHBondContact OD1-CB 2.97Å; N184-R663 PolarHBondContact OD1-N 2.96Å
185	N	97.6	Very high	96.3	Very high	1 Å²	1	26 Å²	26	1%	0.005	12%	0.119	C	C	.	.	S	Bend	trans	-84	115.3	168.2	-169.1	-54.3	0	0	0	109.7	R187 N188 P189 W191 A463	N185-R187 VanDerWaalsContact C-N 3.26Å; N185-R187 PolarHBondContact O-N 2.88Å; N185-R187 PolarHBondContact OD1-N 2.98Å; N185-N188 CarbonylContact O-C 3.31Å; N185-N188 VanDerWaalsContact O-C 3.31Å; N185-N188 PolarHBondContact OD1-N 3.17Å; N185-P189 WeakPolarHBondContact O-CA 3.07Å; N185-W191 HydrophobicContact CB-CB 4.34Å; N185-A463 PolarHBondContact ND2-O 3.14Å
186	L	95.5	Very high	96.3	Very high	61 Å²	61	26 Å²	26	32%	0.319	12%	0.12	S	C	.	.	S	Bend	trans	-71.9	-18.6	-176	-61.1	177.7	0	0	0	113.6	L114 C166 L170	L114-L186 HydrophobicContact CD1-CD1 3.65Å; C166-L186 HydrophobicContact CB-CD2 3.92Å; L170-L186 HydrophobicContact CD1-CD1 4.26Å; L170-L186 HydrophobicContact CD1-CD2 4.1Å
187	R	95.3	Very high	96.3	Very high	205 Å²	205	26.7 Å²	26.7	77%	0.774	13%	0.126	S	C	*	.	S	Bend	trans	-91.6	-35.7	177.5	-64.3	-178.4	-178.7	174.6	1.1	112	N185 P189	N185-R187 VanDerWaalsContact C-N 3.26Å; N185-R187 PolarHBondContact O-N 2.88Å; N185-R187 PolarHBondContact OD1-N 2.98Å; R187-P189 WeakPolarHBondContact O-CD 3.27Å
188	N	96.9	Very high	96.3	Very high	65 Å²	65	25.6 Å²	25.6	35%	0.348	12%	0.122	S	C	.	.	S	Bend	trans	-123.2	79.4	178.2	-62.9	-66.4	0	0	0	109.8	N185 L190 W191	N185-N188 CarbonylContact O-C 3.31Å; N185-N188 VanDerWaalsContact O-C 3.31Å; N185-N188 PolarHBondContact OD1-N 3.17Å; N188-L190 PolarHBondContact O-N 2.98Å; N188-W191 HydrophobicContact CB-CB 4.31Å; N188-W191 HydrophobicContact CB-CD2 3.46Å; N188-W191 VanDerWaalsContact CB-CD2 3.46Å; N188-W191 HydrophobicContact CB-CE3 4.03Å; N188-W191 HydrophobicContact CB-CG 3.57Å; N188-W191 HydrophobicContact CB-CZ2 4.17Å; N188-W191 WeakPolarHBondContact ND2-CH2 3.01Å; N188-W191 WeakPolarHBondContact ND2-CZ2 3.48Å; N188-W191 WeakPolarHBondContact O-CB 3.2Å; N188-W191 PolarHBondContact O-N 3.02Å
189	P	95.8	Very high	96.4	Very high	27 Å²	27	28.8 Å²	28.8	18%	0.175	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-20.2	-167.1	-28.2	37.6	0	0	0	116	A164 T182 C183 N185 R187	A164-P189 HydrophobicContact CB-CB 4.12Å; A164-P189 WeakPolarHBondContact O-CB 3.33Å; A164-P189 VanDerWaalsContact O-CG 3.25Å; A164-P189 WeakPolarHBondContact O-CG 3.35Å; T182-P189 CarbonylContact C-O 3.56Å; T182-P189 VanDerWaalsContact CA-O 3.26Å; T182-P189 WeakPolarHBondContact CA-O 3.47Å; C183-P189 PolarHBondContact N-O 3.16Å; N185-P189 WeakPolarHBondContact O-CA 3.07Å; R187-P189 WeakPolarHBondContact O-CD 3.27Å
190	L	96.1	Very high	96.5	Very high	40 Å²	40	30.4 Å²	30.4	21%	0.209	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92	-8.8	-179.6	-64.5	-176.3	0	0	0	113.9	Q161 T182 N188 G192 A193 T196	Q161-L190 HydrophobicContact CB-CD2 4.29Å; Q161-L190 HydrophobicContact CG-CD2 4.18Å; T182-L190 HydrophobicContact CG2-CD2 4.2Å; N188-L190 PolarHBondContact O-N 2.98Å; L190-G192 PolarHBondContact O-N 3.41Å; L190-G192 VanDerWaalsContact O-N 3.07Å; L190-A193 HydrophobicContact CD2-CB 4.37Å; L190-A193 WeakPolarHBondContact O-CB 3.12Å; L190-A193 PolarHBondContact O-N 2.85Å; L190-T196 HydrophobicContact CB-CG2 4.2Å
191	W	97.8	Very high	96.6	Very high	70 Å²	70	31.6 Å²	31.6	27%	0.265	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	113.5	178.6	-76.8	9.1	0	0	0	110.7	N185 N188 N466	N185-W191 HydrophobicContact CB-CB 4.34Å; N188-W191 HydrophobicContact CB-CB 4.31Å; N188-W191 HydrophobicContact CB-CD2 3.46Å; N188-W191 VanDerWaalsContact CB-CD2 3.46Å; N188-W191 HydrophobicContact CB-CE3 4.03Å; N188-W191 HydrophobicContact CB-CG 3.57Å; N188-W191 HydrophobicContact CB-CZ2 4.17Å; N188-W191 WeakPolarHBondContact ND2-CH2 3.01Å; N188-W191 WeakPolarHBondContact ND2-CZ2 3.48Å; N188-W191 WeakPolarHBondContact O-CB 3.2Å; N188-W191 PolarHBondContact O-N 3.02Å; W191-N466 HydrophobicContact CD2-CB 3.95Å; W191-N466 HydrophobicContact CE3-CB 3.84Å; W191-N466 HydrophobicContact CH2-CB 4.34Å; W191-N466 HydrophobicContact CZ2-CB 4.44Å; W191-N466 HydrophobicContact CZ3-CB 4.05Å
192	G	97.8	Very high	96.6	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.01	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.3	2.7	-175.3	0	0	0	0	0	115.2	L190 A325 F326 S468	L190-G192 PolarHBondContact O-N 3.41Å; L190-G192 VanDerWaalsContact O-N 3.07Å; G192-A325 PolarHBondContact O-N 2.93Å; G192-F326 WeakPolarHBondContact O-CE2 3.29Å; G192-S468 PolarHBondContact N-OG 3.43Å
193	A	96.9	Very high	96.7	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.008	19%	0.188	C	C	.	.			trans	-74.8	149.8	178	0	0	0	0	0	112.1	D180 T182 L190 T196	D180-A193 CarbonylContact O-C 3.54Å; D180-A193 VanDerWaalsContact O-CA 3.23Å; D180-A193 WeakPolarHBondContact O-CA 3.48Å; T182-A193 HydrophobicContact CG2-CB 3.8Å; L190-A193 HydrophobicContact CD2-CB 4.37Å; L190-A193 WeakPolarHBondContact O-CB 3.12Å; L190-A193 PolarHBondContact O-N 2.85Å; A193-T196 HydrophobicContact CB-CG2 4.18Å; A193-T196 WeakPolarHBondContact O-CG2 3.49Å; A193-T196 PolarHBondContact O-OG1 3.19Å
194	A	95.8	Very high	96.8	Very high	5 Å²	5	39.4 Å²	39.4	4%	0.041	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	149.8	171.5	0	0	0	0	0	111.7	Q161 D180 E322 N323 T324	Q161-A194 WeakPolarHBondContact CB-O 3.48Å; D180-A194 HydrophobicContact CB-CB 4.35Å; D180-A194 PolarHBondContact O-N 2.78Å; A194-E322 WeakPolarHBondContact CB-O 3.37Å; A194-N323 WeakPolarHBondContact CA-O 3.39Å; A194-T324 HydrophobicContact CB-CG2 4.32Å
195	G	94.1	Very high	96.8	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.01	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.1	25.5	-178.7	0	0	0	0	0	114	E160 Q161 N321	E160-G195 WeakPolarHBondContact CA-O 2.76Å; Q161-G195 PolarHBondContact N-O 3.37Å; G195-N321 VanDerWaalsContact CA-O 3.3Å; G195-N321 WeakPolarHBondContact CA-O 2.79Å; G195-N321 PolarHBondContact N-O 2.91Å
196	T	95.1	Very high	96.7	Very high	8 Å²	8	42.6 Å²	42.6	5%	0.049	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	158.9	178.9	63.9	0	0	0	0	111.6	E160 Q161 L190 A193 V320 N321	E160-T196 HydrophobicContact CG-CG2 4.49Å; Q161-T196 HydrophobicContact CB-CG2 4.4Å; L190-T196 HydrophobicContact CB-CG2 4.2Å; A193-T196 HydrophobicContact CB-CG2 4.18Å; A193-T196 WeakPolarHBondContact O-CG2 3.49Å; A193-T196 PolarHBondContact O-OG1 3.19Å; T196-V320 WeakPolarHBondContact O-CG1 3.26Å; T196-N321 PolarHBondContact N-O 2.83Å; T196-N321 PolarHBondContact O-N 3.43Å
197	A	96.6	Very high	96.7	Very high	18 Å²	18	42.3 Å²	42.3	15%	0.149	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	147	178.4	0	0	0	0	0	112.1	L308 E318 Q319	A197-L308 HydrophobicContact CB-CD2 4.25Å; A197-E318 HydrophobicContact CB-CB 4.35Å; A197-Q319 WeakPolarHBondContact CA-O 3.1Å
198	F	98.1	Very high	96.6	Very high	7 Å²	7	36.3 Å²	36.3	3%	0.031	20%	0.195	C	C	.	.	P	Polyproline II helix	trans	-60.9	147.1	166.9	-65.1	-67.1	0	0	0	110.6	T261 Q319 V320 N321 I469 N471 T474	F198-T261 HydrophobicContact CE2-CG2 4.28Å; F198-Q319 HydrophobicContact CD2-CB 3.82Å; F198-Q319 VanDerWaalsContact CD2-O 3.29Å; F198-Q319 WeakPolarHBondContact CD2-O 3.41Å; F198-Q319 HydrophobicContact CE2-CB 4.03Å; F198-Q319 PolarHBondContact N-O 3.32Å; F198-V320 WeakPolarHBondContact CE2-O 3.39Å; F198-N321 HydrophobicContact CD1-CB 3.95Å; F198-N321 HydrophobicContact CE1-CB 3.43Å; F198-N321 VanDerWaalsContact CE1-CB 3.43Å; F198-N321 HydrophobicContact CZ-CB 3.79Å; F198-I469 CarbonylContact C-O 3.54Å; F198-I469 VanDerWaalsContact CA-O 3.29Å; F198-I469 WeakPolarHBondContact CA-O 3.39Å; F198-I469 WeakPolarHBondContact CB-O 3.4Å; F198-I469 HydrophobicContact CD1-CB 3.9Å; F198-I469 HydrophobicContact CD1-CG2 3.87Å; F198-I469 WeakPolarHBondContact CD1-O 3.4Å; F198-I469 HydrophobicContact CE1-CB 4.15Å; F198-I469 HydrophobicContact CE1-CG2 3.96Å; F198-N471 HydrophobicContact CB-CB 3.79Å; F198-N471 HydrophobicContact CG-CB 4.39Å; F198-T474 HydrophobicContact CD1-CG2 4.03Å; F198-T474 HydrophobicContact CE1-CG2 3.69Å; F198-T474 HydrophobicContact CZ-CG2 3.98Å
199	Q	97.5	Very high	96.5	Very high	69 Å²	69	35.2 Å²	35.2	32%	0.322	20%	0.199	S	C	.	.	B	Isolated β-bridge	trans	-78.6	166.1	166.2	-68.7	-66.2	-57.5	0	0	110.2	N466 I469 I470 N471	Q199-N466 PolarHBondContact NE2-ND2 3.11Å; Q199-N466 PolarHBondContact OE1-ND2 2.96Å; Q199-I469 PolarHBondContact N-O 3.37Å; Q199-I470 HydrophobicContact CB-CG1 4.4Å; Q199-I470 CarbonylContact O-C 3.53Å; Q199-I470 WeakPolarHBondContact O-CA 3.45Å; Q199-N471 WeakPolarHBondContact O-CB 3.33Å; Q199-N471 PolarHBondContact O-N 3.38Å
200	R	97.8	Very high	96.5	Very high	43 Å²	43	36.8 Å²	36.8	16%	0.162	21%	0.205	C	C	.	.			trans	-130.8	146.9	175.2	-64.1	-174.6	-180	-88.1	-4.5	111.4	L202 R317 E318 Q319 N471 E472 H580	R200-L202 WeakPolarHBondContact CB-O 3.1Å; R200-R317 PolarHBondContact NH2-O 3.3Å; R200-E318 IonicContact CZ-OE1 3.39Å; R200-E318 IonicContact CZ-OE2 2.66Å; R200-E318 VanDerWaalsContact CZ-OE2 3.24Å; R200-E318 VanDerWaalsContact NE-CD 3.31Å; R200-E318 IonicContact NE-OE1 3.86Å; R200-E318 PolarHBondContact NE-OE1 3.09Å; R200-E318 IonicContact NE-OE2 3.85Å; R200-E318 PolarHBondContact NE-OE2 2.87Å; R200-E318 IonicContact NH2-OE1 3.25Å; R200-E318 IonicContact NH2-OE2 2.71Å; R200-E318 PolarHBondContact NH2-OE2 3.21Å; R200-Q319 VanDerWaalsContact NH2-OE1 3.11Å; R200-N471 HydrophobicContact CG-CB 4.27Å; R200-N471 PolarHBondContact NH1-ND2 3.39Å; R200-N471 PolarHBondContact NH2-ND2 3.28Å; R200-E472 WeakPolarHBondContact CA-OE2 3.39Å; R200-H580 PolarHBondContact NH1-O 2.83Å; R200-H580 PolarHBondContact NH2-O 3.09Å; R200-H580 VanDerWaalsContact NH2-O 3.13Å
201	I	97.4	Very high	96.4	Very high	29 Å²	29	35.2 Å²	35.2	15%	0.149	20%	0.199	C	C	.	.	S	Bend	trans	-82.1	-45.5	168.7	-72.1	167.2	0	0	0	109.5	I470 E472 F588 Y591 L650 E653	I201-I470 HydrophobicContact CD1-CD1 4.12Å; I201-I470 HydrophobicContact CD1-CG2 3.79Å; I201-I470 HydrophobicContact CG1-CD1 4.03Å; I201-I470 HydrophobicContact CG1-CG2 3.73Å; I201-E472 PolarHBondContact N-OE1 2.87Å; I201-E472 PolarHBondContact N-OE2 2.87Å; I201-F588 HydrophobicContact CB-CE1 4.3Å; I201-F588 HydrophobicContact CG2-CE1 4.27Å; I201-Y591 HydrophobicContact CD1-CE1 4.13Å; I201-Y591 HydrophobicContact CG2-CD1 3.74Å; I201-Y591 HydrophobicContact CG2-CD2 3.56Å; I201-Y591 HydrophobicContact CG2-CE1 3.51Å; I201-Y591 HydrophobicContact CG2-CE2 3.32Å; I201-Y591 HydrophobicContact CG2-CG 3.77Å; I201-L650 HydrophobicContact CD1-CD2 3.51Å; I201-E653 HydrophobicContact CD1-CG 4.33Å
202	L	97.7	Very high	96.3	Very high	39 Å²	39	33.2 Å²	33.2	20%	0.204	20%	0.195	C	C	.	.	S	Bend	trans	-116.6	150.6	178.1	-61.7	-177.9	0	0	0	110.2	R200 E472 A583 H587 F588 Y591	R200-L202 WeakPolarHBondContact CB-O 3.1Å; L202-E472 PolarHBondContact N-OE1 3.15Å; L202-A583 HydrophobicContact CD1-CB 4.01Å; L202-H587 HydrophobicContact CD1-CB 3.82Å; L202-F588 HydrophobicContact CB-CE1 4.28Å; L202-F588 HydrophobicContact CB-CZ 4.19Å; L202-F588 HydrophobicContact CD1-CD1 3.98Å; L202-F588 HydrophobicContact CD1-CE1 3.6Å; L202-F588 HydrophobicContact CD1-CE2 4.31Å; L202-F588 HydrophobicContact CD1-CG 4.45Å; L202-F588 HydrophobicContact CD1-CZ 3.77Å; L202-F588 HydrophobicContact CG-CD1 4.42Å; L202-F588 HydrophobicContact CG-CE1 3.72Å; L202-F588 HydrophobicContact CG-CZ 4.06Å; L202-Y591 HydrophobicContact CD2-CD2 4.4Å
203	P	97.4	Very high	96.2	Very high	104 Å²	104	33.3 Å²	33.3	68%	0.675	20%	0.196	S	C	*	.			trans	-52.6	145.9	171.8	-25.6	34.8	0	0	0	111.9
204	P	97.5	Very high	96.1	Very high	29 Å²	29	33.8 Å²	33.8	19%	0.188	20%	0.199	C	C	.	.			trans	-63.5	141.6	179	26	-32.2	0	0	0	111.5	Y206 S316 G581	P204-Y206 HydrophobicContact CB-CD2 4.08Å; P204-Y206 HydrophobicContact CB-CE2 3.77Å; P204-Y206 HydrophobicContact CG-CE2 4.47Å; P204-S316 VanDerWaalsContact CG-CB 3.45Å; P204-G581 CarbonylContact C-O 3.5Å; P204-G581 VanDerWaalsContact CA-O 3.31Å; P204-G581 WeakPolarHBondContact CA-O 3.29Å
205	V	97.3	Very high	95.8	Very high	61 Å²	61	33.9 Å²	33.9	37%	0.37	20%	0.199	S	C	.	.			trans	-110.5	99.8	174.9	-176.2	0	0	0	0	108.7	V214 G581 A583	V205-V214 HydrophobicContact CG1-CG1 4.01Å; V205-V214 WeakPolarHBondContact O-CG1 3.13Å; V205-G581 PolarHBondContact N-O 2.87Å; V205-G581 VanDerWaalsContact O-CA 3.22Å; V205-G581 WeakPolarHBondContact O-CA 3.42Å; V205-A583 HydrophobicContact CG2-CB 3.92Å
206	Y	97	Very high	95.5	Very high	11 Å²	11	34 Å²	34	4%	0.043	20%	0.2	C	C	.	.			trans	-108.2	151	168.6	-67.7	-67	0	0	0	109.3	P204 D208 G209 I210 S212 R317 Q319 D579 H580	P204-Y206 HydrophobicContact CB-CD2 4.08Å; P204-Y206 HydrophobicContact CB-CE2 3.77Å; P204-Y206 HydrophobicContact CG-CE2 4.47Å; Y206-D208 VanDerWaalsContact C-N 3.26Å; Y206-D208 PolarHBondContact O-N 3Å; Y206-G209 PolarHBondContact O-N 2.85Å; Y206-I210 VanDerWaalsContact CD2-O 3.28Å; Y206-I210 WeakPolarHBondContact CD2-O 3.24Å; Y206-S212 CarbonylContact C-O 3.6Å; Y206-S212 WeakPolarHBondContact CA-O 3.47Å; Y206-S212 WeakPolarHBondContact CB-O 3.4Å; Y206-R317 HydrophobicContact CE2-CB 3.85Å; Y206-R317 WeakPolarHBondContact CE2-O 3.45Å; Y206-R317 PolarHBondContact OH-O 3.1Å; Y206-Q319 PolarHBondContact OH-NE2 3.05Å; Y206-D579 WeakPolarHBondContact CE1-O 3.38Å; Y206-H580 PolarHBondContact OH-O 3.47Å
207	E	94.6	Very high	95	Very high	55 Å²	55	40 Å²	40	26%	0.257	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-34.4	-177	-171.7	167.8	-141	0	0	112.8	S212 S216 H217 T218	E207-S212 PolarHBondContact N-O 3.27Å; E207-S216 WeakPolarHBondContact OE2-CA 3.14Å; E207-S216 WeakPolarHBondContact OE2-CB 3.48Å; E207-S216 PolarHBondContact OE2-N 3.31Å; E207-S216 VanDerWaalsContact OE2-N 3.12Å; E207-S216 PolarHBondContact OE2-OG 3.23Å; E207-H217 PolarHBondContact OE1-N 3.24Å; E207-H217 VanDerWaalsContact OE1-N 3.16Å; E207-H217 IonicContact OE2-CD2 3.83Å; E207-H217 PolarHBondContact OE2-CD2 3.08Å; E207-H217 IonicContact OE2-CG 3.53Å; E207-H217 PolarHBondContact OE2-N 3.11Å; E207-T218 VanDerWaalsContact OE1-CG2 3.31Å; E207-T218 WeakPolarHBondContact OE1-CG2 3.37Å; E207-T218 PolarHBondContact OE1-N 3.47Å; E207-T218 PolarHBondContact OE1-OG1 3.4Å; E207-T218 VanDerWaalsContact OE1-OG1 3.1Å
208	D	93.9	Very high	94.6	Very high	79 Å²	79	43.4 Å²	43.4	42%	0.422	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.1	4.8	174.8	62.7	-3	0	0	0	113.1	Y206 I210 G211 S212	Y206-D208 VanDerWaalsContact C-N 3.26Å; Y206-D208 PolarHBondContact O-N 3Å; D208-I210 PolarHBondContact O-N 3.36Å; D208-I210 PolarHBondContact OD1-N 2.77Å; D208-G211 PolarHBondContact OD1-N 2.98Å; D208-S212 VanDerWaalsContact CG-CB 3.45Å; D208-S212 VanDerWaalsContact CG-OG 3.29Å; D208-S212 PolarHBondContact OD1-N 3.32Å; D208-S212 VanDerWaalsContact OD2-CB 3.29Å; D208-S212 WeakPolarHBondContact OD2-CB 3.06Å; D208-S212 PolarHBondContact OD2-N 2.93Å; D208-S212 PolarHBondContact OD2-OG 3.11Å
209	G	94.4	Very high	94.2	Very high	42 Å²	42	49 Å²	49	43%	0.433	27%	0.27	S	S	.	.	S	Bend	trans	72.1	-5.8	-172.4	0	0	0	0	0	115.4	Y206 S316	Y206-G209 PolarHBondContact O-N 2.85Å; G209-S316 PolarHBondContact O-OG 3.47Å; G209-S316 VanDerWaalsContact O-OG 3.08Å
210	I	95	Very high	93.9	Very high	60 Å²	60	48.5 Å²	48.5	31%	0.308	27%	0.27	S	S	.	.	S	Bend	trans	-114.1	-57	-172.3	-60.7	176	0	0	0	111.2	Y206 D208 S316 R317	Y206-I210 VanDerWaalsContact CD2-O 3.28Å; Y206-I210 WeakPolarHBondContact CD2-O 3.24Å; D208-I210 PolarHBondContact O-N 3.36Å; D208-I210 PolarHBondContact OD1-N 2.77Å; I210-S316 CarbonylContact O-C 3.54Å; I210-S316 WeakPolarHBondContact O-CA 3.43Å; I210-R317 PolarHBondContact O-N 2.96Å
211	G	94.8	Very high	93.8	Very high	7 Å²	7	47.9 Å²	47.9	7%	0.072	27%	0.268	C	S	.	.	S	Bend	trans	-167.7	-5.7	-172.7	0	0	0	0	0	115.9	D208 P213 R304	D208-G211 PolarHBondContact OD1-N 2.98Å; G211-P213 WeakPolarHBondContact O-CD 3.33Å; G211-R304 PolarHBondContact O-NH1 3.03Å; G211-R304 PolarHBondContact O-NH2 3.38Å
212	S	95.1	Very high	93.7	Very high	28 Å²	28	46.8 Å²	46.8	20%	0.196	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-74.1	119.1	176	-61.2	0	0	0	0	109.4	Y206 E207 D208	Y206-S212 CarbonylContact C-O 3.6Å; Y206-S212 WeakPolarHBondContact CA-O 3.47Å; Y206-S212 WeakPolarHBondContact CB-O 3.4Å; E207-S212 PolarHBondContact N-O 3.27Å; D208-S212 VanDerWaalsContact CG-CB 3.45Å; D208-S212 VanDerWaalsContact CG-OG 3.29Å; D208-S212 PolarHBondContact OD1-N 3.32Å; D208-S212 VanDerWaalsContact OD2-CB 3.29Å; D208-S212 WeakPolarHBondContact OD2-CB 3.06Å; D208-S212 PolarHBondContact OD2-N 2.93Å; D208-S212 PolarHBondContact OD2-OG 3.11Å
213	P	95.9	Very high	93.6	Very high	4 Å²	4	46 Å²	46	3%	0.026	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-55.7	145.9	-178.7	-26.2	36.6	0	0	0	111.8	G211 S216 F280 R578	G211-P213 WeakPolarHBondContact O-CD 3.33Å; P213-S216 WeakPolarHBondContact O-CB 3.07Å; P213-S216 PolarHBondContact O-N 3.04Å; P213-S216 VanDerWaalsContact O-N 3.14Å; P213-S216 PolarHBondContact O-OG 3.18Å; P213-S216 VanDerWaalsContact O-OG 3.05Å; P213-F280 HydrophobicContact CB-CD1 3.97Å; P213-F280 HydrophobicContact CB-CE1 3.47Å; P213-F280 VanDerWaalsContact CB-CE1 3.47Å; P213-F280 HydrophobicContact CB-CZ 3.83Å; P213-F280 HydrophobicContact CG-CD1 3.85Å; P213-F280 HydrophobicContact CG-CE1 3.9Å; P213-F280 HydrophobicContact CG-CG 4.3Å; P213-F280 HydrophobicContact CG-CZ 4.39Å; P213-R578 HydrophobicContact CB-CB 4.33Å; P213-R578 WeakPolarHBondContact CB-O 3.16Å
214	V	95.2	Very high	93.6	Very high	11 Å²	11	41 Å²	41	7%	0.067	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56	143.7	174.1	-65.2	0	0	0	0	111.4	V205 S216 R578	V205-V214 HydrophobicContact CG1-CG1 4.01Å; V205-V214 WeakPolarHBondContact O-CG1 3.13Å; V214-S216 PolarHBondContact O-N 3.11Å; V214-R578 HydrophobicContact CG2-CB 3.96Å; V214-R578 HydrophobicContact CG2-CG 3.82Å
215	S	89.7	Confident	93.5	Very high	6 Å²	6	39.8 Å²	39.8	4%	0.042	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.1	19.3	-175.8	-132.4	0	0	0	0	114.6	K219 D220 R221	S215-K219 WeakPolarHBondContact O-CD 3.5Å; S215-K219 PolarHBondContact O-NZ 2.04Å; S215-K219 WeakPolarHBondContact OG-CA 3.38Å; S215-D220 VanDerWaalsContact CB-OD1 3.22Å; S215-D220 WeakPolarHBondContact CB-OD1 3.49Å; S215-D220 PolarHBondContact OG-N 3.26Å; S215-D220 VanDerWaalsContact OG-N 3.12Å; S215-D220 PolarHBondContact OG-OD1 2.91Å; S215-R221 WeakPolarHBondContact OG-CB 3.26Å; S215-R221 PolarHBondContact OG-N 3.32Å
216	S	87.2	Confident	93.4	Very high	5 Å²	5	40.2 Å²	40.2	4%	0.035	22%	0.217	C	C	.	.	S	Bend	trans	-74.8	-36.5	172.3	71.7	0	0	0	0	111.5	E207 P213 V214 K219	E207-S216 WeakPolarHBondContact OE2-CA 3.14Å; E207-S216 WeakPolarHBondContact OE2-CB 3.48Å; E207-S216 PolarHBondContact OE2-N 3.31Å; E207-S216 VanDerWaalsContact OE2-N 3.12Å; E207-S216 PolarHBondContact OE2-OG 3.23Å; P213-S216 WeakPolarHBondContact O-CB 3.07Å; P213-S216 PolarHBondContact O-N 3.04Å; P213-S216 VanDerWaalsContact O-N 3.14Å; P213-S216 PolarHBondContact O-OG 3.18Å; P213-S216 VanDerWaalsContact O-OG 3.05Å; V214-S216 PolarHBondContact O-N 3.11Å; S216-K219 WeakPolarHBondContact O-CE 3.31Å; S216-K219 PolarHBondContact O-NZ 3.35Å
217	H	85.4	Confident	93.4	Very high	132 Å²	132	39.8 Å²	39.8	61%	0.611	22%	0.216	S	C	*	.	S	Bend	trans	-109.7	-49.4	179.3	-58.9	-64.1	0	0	0	113.3	E207 K219	E207-H217 PolarHBondContact OE1-N 3.24Å; E207-H217 VanDerWaalsContact OE1-N 3.16Å; E207-H217 IonicContact OE2-CD2 3.83Å; E207-H217 PolarHBondContact OE2-CD2 3.08Å; E207-H217 IonicContact OE2-CG 3.53Å; E207-H217 PolarHBondContact OE2-N 3.11Å; H217-K219 PolarHBondContact O-N 3.3Å
218	T	88.9	Confident	93.4	Very high	90 Å²	90	37.2 Å²	37.2	55%	0.552	20%	0.204	S	C	*	.	S	Bend	trans	-71.5	-27.7	-173.8	58.5	0	0	0	0	114	E207 D220	E207-T218 VanDerWaalsContact OE1-CG2 3.31Å; E207-T218 WeakPolarHBondContact OE1-CG2 3.37Å; E207-T218 PolarHBondContact OE1-N 3.47Å; E207-T218 PolarHBondContact OE1-OG1 3.4Å; E207-T218 VanDerWaalsContact OE1-OG1 3.1Å; T218-D220 PolarHBondContact O-N 2.81Å; T218-D220 PolarHBondContact OG1-OD1 2.9Å; T218-D220 PolarHBondContact OG1-OD2 3.36Å
219	K	88.1	Confident	93.4	Very high	124 Å²	124	37 Å²	37	54%	0.539	20%	0.198	S	C	.	.			trans	52.8	37.4	-175.7	-53.3	-64	169	-157.5	0	113.1	S215 S216 H217 R221	S215-K219 WeakPolarHBondContact O-CD 3.5Å; S215-K219 PolarHBondContact O-NZ 2.04Å; S215-K219 WeakPolarHBondContact OG-CA 3.38Å; S216-K219 WeakPolarHBondContact O-CE 3.31Å; S216-K219 PolarHBondContact O-NZ 3.35Å; H217-K219 PolarHBondContact O-N 3.3Å; K219-R221 VanDerWaalsContact C-N 3.28Å; K219-R221 PolarHBondContact O-N 3.25Å
220	D	91.5	Very high	93.2	Very high	59 Å²	59	41.1 Å²	41.1	32%	0.316	20%	0.204	S	C	.	.			trans	-75.2	-7.3	177.8	58	-1.7	0	0	0	115.2	S215 T218 N625	S215-D220 VanDerWaalsContact CB-OD1 3.22Å; S215-D220 WeakPolarHBondContact CB-OD1 3.49Å; S215-D220 PolarHBondContact OG-N 3.26Å; S215-D220 VanDerWaalsContact OG-N 3.12Å; S215-D220 PolarHBondContact OG-OD1 2.91Å; T218-D220 PolarHBondContact O-N 2.81Å; T218-D220 PolarHBondContact OG1-OD1 2.9Å; T218-D220 PolarHBondContact OG1-OD2 3.36Å; D220-N625 PolarHBondContact O-ND2 2.95Å
221	R	95.6	Very high	93.2	Very high	30 Å²	30	38.4 Å²	38.4	11%	0.113	19%	0.19	C	C	.	.	S	Bend	trans	-118.9	154.6	179.9	-66.4	175.5	-171.5	-142.4	-5.3	110.6	S215 K219 F620 N625 D627	S215-R221 WeakPolarHBondContact OG-CB 3.26Å; S215-R221 PolarHBondContact OG-N 3.32Å; K219-R221 VanDerWaalsContact C-N 3.28Å; K219-R221 PolarHBondContact O-N 3.25Å; R221-F620 HydrophobicContact CG-CD1 4.39Å; R221-N625 HydrophobicContact CG-CB 4.02Å; R221-N625 VanDerWaalsContact CZ-O 3.23Å; R221-N625 PolarHBondContact NE-O 2.78Å; R221-N625 PolarHBondContact NH1-O 2.84Å; R221-D627 IonicContact CZ-OD1 2.68Å; R221-D627 IonicContact NH1-OD1 3.27Å; R221-D627 PolarHBondContact NH1-OD1 2.81Å
222	P	95.8	Very high	93.2	Very high	7 Å²	7	38 Å²	38	5%	0.045	19%	0.186	C	C	.	.			trans	-62.7	158.9	169.5	28.8	-32.7	0	0	0	109.7	E226 A227 R578 G619 F620	P222-E226 HydrophobicContact CB-CB 4.16Å; P222-E226 HydrophobicContact CB-CG 3.94Å; P222-E226 WeakPolarHBondContact CB-OE2 3.27Å; P222-A227 HydrophobicContact CG-CB 4.21Å; P222-R578 PolarHBondContact O-NH1 3.4Å; P222-R578 PolarHBondContact O-NH2 3.41Å; P222-G619 VanDerWaalsContact CD-O 3.27Å; P222-G619 WeakPolarHBondContact CD-O 3.38Å; P222-F620 HydrophobicContact CG-CD1 4.08Å; P222-F620 HydrophobicContact CG-CD2 4.29Å; P222-F620 HydrophobicContact CG-CE1 3.95Å; P222-F620 HydrophobicContact CG-CE2 4.14Å; P222-F620 HydrophobicContact CG-CG 4.27Å; P222-F620 HydrophobicContact CG-CZ 3.98Å
223	S	95.7	Very high	93.1	Very high	21 Å²	21	37.9 Å²	37.9	15%	0.147	19%	0.185	C	C	.	.			trans	-59.6	151.5	170.3	71.2	0	0	0	0	109.8	R225 E226 A227 R283	S223-R225 PolarHBondContact O-N 2.91Å; S223-E226 PolarHBondContact N-OE2 2.76Å; S223-E226 WeakPolarHBondContact O-CB 3.19Å; S223-E226 PolarHBondContact O-N 3.01Å; S223-E226 VanDerWaalsContact O-N 3.09Å; S223-E226 WeakPolarHBondContact OG-CB 3.5Å; S223-E226 PolarHBondContact OG-N 2.8Å; S223-A227 PolarHBondContact O-N 3.11Å; S223-R283 WeakPolarHBondContact CB-O 3.34Å; S223-R283 PolarHBondContact OG-O 3.39Å
224	A	97.1	Very high	92.8	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-57.2	-33.8	177.4	0	0	0	0	0	112.1	T228 I282 S571 V574 Q575	A224-T228 WeakPolarHBondContact O-CG2 3.44Å; A224-T228 PolarHBondContact O-N 2.72Å; A224-T228 VanDerWaalsContact O-N 3.11Å; A224-T228 PolarHBondContact O-OG1 2.82Å; A224-I282 HydrophobicContact CB-CG1 4.41Å; A224-I282 HydrophobicContact CB-CG2 3.85Å; A224-S571 WeakPolarHBondContact CB-O 3.49Å; A224-S571 PolarHBondContact O-OG 3.24Å; A224-V574 HydrophobicContact CB-CB 3.82Å; A224-V574 HydrophobicContact CB-CG1 3.8Å; A224-Q575 HydrophobicContact CB-CB 4.15Å
225	R	96.1	Very high	92.1	Very high	3 Å²	3	42.1 Å²	42.1	1%	0.011	21%	0.213	C	C	.	.	H	α-helix	trans	-68.8	-40.5	175.2	-179.1	58.4	175.1	164.6	2.5	113.3	S223 T228 R229 I282 V284 D288 T560 E561 D568 S571	S223-R225 PolarHBondContact O-N 2.91Å; R225-T228 PolarHBondContact O-N 2.67Å; R225-T228 PolarHBondContact O-OG1 2.96Å; R225-R229 HydrophobicContact CG-CG 4.32Å; R225-R229 VanDerWaalsContact CZ-CG 3.48Å; R225-R229 WeakPolarHBondContact O-CB 3.41Å; R225-R229 WeakPolarHBondContact O-CG 3.03Å; R225-R229 PolarHBondContact O-N 2.66Å; R225-I282 HydrophobicContact CB-CG2 3.94Å; R225-V284 HydrophobicContact CB-CG2 4.33Å; R225-V284 HydrophobicContact CG-CG2 4.19Å; R225-D288 IonicContact CZ-OD2 3.51Å; R225-D288 IonicContact NE-OD2 3.38Å; R225-D288 PolarHBondContact NE-OD2 3.32Å; R225-D288 IonicContact NH2-OD1 2.9Å; R225-D288 PolarHBondContact NH2-OD1 3.49Å; R225-D288 IonicContact NH2-OD2 2.7Å; R225-D288 PolarHBondContact NH2-OD2 3.03Å; R225-T560 PolarHBondContact NH1-O 2.91Å; R225-T560 VanDerWaalsContact NH1-O 3.09Å; R225-E561 IonicContact CZ-OE1 2.94Å; R225-E561 IonicContact CZ-OE2 2.78Å; R225-E561 IonicContact NH1-OE1 2.74Å; R225-E561 PolarHBondContact NH1-OE1 2.75Å; R225-E561 IonicContact NH1-OE2 2.74Å; R225-E561 IonicContact NH2-OE1 3.83Å; R225-E561 PolarHBondContact NH2-OE1 3.24Å; R225-E561 IonicContact NH2-OE2 3.75Å; R225-E561 PolarHBondContact NH2-OE2 3.33Å; R225-D568 VanDerWaalsContact CD-OD2 3.29Å; R225-D568 WeakPolarHBondContact CD-OD2 3.5Å; R225-D568 IonicContact CZ-OD2 2.76Å; R225-D568 IonicContact NE-OD2 4Å; R225-D568 IonicContact NH1-OD2 3.69Å; R225-D568 PolarHBondContact NH1-OD2 3.42Å; R225-S571 VanDerWaalsContact CA-OG 3.26Å; R225-S571 WeakPolarHBondContact CA-OG 3.48Å
226	E	95	Very high	91.8	Very high	70 Å²	70	47.6 Å²	47.6	33%	0.327	24%	0.238	S	C	.	.	H	α-helix	trans	-63.5	-49.3	175.2	178.9	173.7	-158	0	0	110.8	P222 S223 T228 R229 F230	P222-E226 HydrophobicContact CB-CB 4.16Å; P222-E226 HydrophobicContact CB-CG 3.94Å; P222-E226 WeakPolarHBondContact CB-OE2 3.27Å; S223-E226 PolarHBondContact N-OE2 2.76Å; S223-E226 WeakPolarHBondContact O-CB 3.19Å; S223-E226 PolarHBondContact O-N 3.01Å; S223-E226 VanDerWaalsContact O-N 3.09Å; S223-E226 WeakPolarHBondContact OG-CB 3.5Å; S223-E226 PolarHBondContact OG-N 2.8Å; E226-T228 VanDerWaalsContact C-N 3.29Å; E226-T228 PolarHBondContact O-N 2.89Å; E226-R229 PolarHBondContact O-N 3.06Å; E226-F230 HydrophobicContact CG-CD2 3.65Å; E226-F230 HydrophobicContact CG-CE2 3.77Å; E226-F230 WeakPolarHBondContact O-CD2 3.38Å; E226-F230 PolarHBondContact O-N 2.89Å; E226-F230 VanDerWaalsContact O-N 3.09Å
227	A	95.9	Very high	91.8	Very high	3 Å²	3	51.8 Å²	51.8	3%	0.025	26%	0.26	C	S	.	.	H	α-helix	trans	-55.1	-44.9	177.2	0	0	0	0	0	111.7	P222 S223 L231 F620 V630	P222-A227 HydrophobicContact CG-CB 4.21Å; S223-A227 PolarHBondContact O-N 3.11Å; A227-L231 WeakPolarHBondContact O-CB 3.17Å; A227-L231 PolarHBondContact O-N 3.09Å; A227-F620 HydrophobicContact CB-CE2 4.44Å; A227-F620 HydrophobicContact CB-CZ 4.22Å; A227-V630 HydrophobicContact CB-CG2 4.4Å
228	T	95.4	Very high	91.9	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.252	C	S	.	.	I	π-helix	trans	-72.3	-43.9	-177.9	56.8	0	0	0	0	112.7	A224 R225 E226 F230 L232 S233 D568 A570 S571 V574	A224-T228 WeakPolarHBondContact O-CG2 3.44Å; A224-T228 PolarHBondContact O-N 2.72Å; A224-T228 VanDerWaalsContact O-N 3.11Å; A224-T228 PolarHBondContact O-OG1 2.82Å; R225-T228 PolarHBondContact O-N 2.67Å; R225-T228 PolarHBondContact O-OG1 2.96Å; E226-T228 VanDerWaalsContact C-N 3.29Å; E226-T228 PolarHBondContact O-N 2.89Å; T228-F230 PolarHBondContact O-N 2.98Å; T228-L232 HydrophobicContact CG2-CD1 4.21Å; T228-L232 CarbonylContact O-C 3.52Å; T228-L232 WeakPolarHBondContact O-CA 3.23Å; T228-L232 PolarHBondContact O-N 3.45Å; T228-S233 WeakPolarHBondContact O-CB 3.38Å; T228-S233 PolarHBondContact O-N 2.81Å; T228-D568 PolarHBondContact OG1-OD2 3.18Å; T228-A570 VanDerWaalsContact CG2-C 3.46Å; T228-A570 HydrophobicContact CG2-CB 3.72Å; T228-S571 PolarHBondContact OG1-OG 3.25Å; T228-V574 HydrophobicContact CG2-CG2 3.98Å
229	R	92.8	Very high	92.1	Very high	76 Å²	76	46.7 Å²	46.7	29%	0.287	24%	0.238	S	C	.	.	I	π-helix	trans	-60.3	-44.4	179.2	-74.8	173.4	67.5	88.5	18.9	112.7	R225 E226 D288	R225-R229 HydrophobicContact CG-CG 4.32Å; R225-R229 VanDerWaalsContact CZ-CG 3.48Å; R225-R229 WeakPolarHBondContact O-CB 3.41Å; R225-R229 WeakPolarHBondContact O-CG 3.03Å; R225-R229 PolarHBondContact O-N 2.66Å; E226-R229 PolarHBondContact O-N 3.06Å; R229-D288 VanDerWaalsContact CD-OD2 3.28Å; R229-D288 WeakPolarHBondContact CD-OD2 3.36Å; R229-D288 IonicContact CZ-OD2 3.19Å; R229-D288 IonicContact NE-OD2 2.62Å; R229-D288 IonicContact NH1-OD1 3.53Å; R229-D288 PolarHBondContact NH1-OD1 2.88Å; R229-D288 IonicContact NH1-OD2 3.86Å; R229-D288 PolarHBondContact NH1-OD2 3.44Å
230	F	91	Very high	92.1	Very high	127 Å²	127	41.4 Å²	41.4	56%	0.557	22%	0.216	S	C	*	.	I	π-helix	trans	-85.1	-28.1	-174	-69.7	-65.2	0	0	0	113.4	E226 T228	E226-F230 HydrophobicContact CG-CD2 3.65Å; E226-F230 HydrophobicContact CG-CE2 3.77Å; E226-F230 WeakPolarHBondContact O-CD2 3.38Å; E226-F230 PolarHBondContact O-N 2.89Å; E226-F230 VanDerWaalsContact O-N 3.09Å; T228-F230 PolarHBondContact O-N 2.98Å
231	L	94.3	Very high	92	Very high	3 Å²	3	40.5 Å²	40.5	2%	0.016	22%	0.221	C	C	.	.	I	π-helix	trans	-110.1	-41.8	-174.2	-58.5	166	0	0	0	113.5	A227 R554 N615 L616 F620 V630 L634	A227-L231 WeakPolarHBondContact O-CB 3.17Å; A227-L231 PolarHBondContact O-N 3.09Å; L231-R554 WeakPolarHBondContact O-CD 3.26Å; L231-R554 PolarHBondContact O-NH1 3.19Å; L231-N615 HydrophobicContact CD2-CB 3.49Å; L231-N615 VanDerWaalsContact CD2-CB 3.49Å; L231-L616 HydrophobicContact CD1-CD2 3.74Å; L231-L616 HydrophobicContact CD1-CG 4.43Å; L231-L616 HydrophobicContact CD2-CD2 4.32Å; L231-L616 HydrophobicContact CD2-CG 4.12Å; L231-F620 HydrophobicContact CD1-CD2 4.38Å; L231-F620 HydrophobicContact CD1-CE2 3.83Å; L231-V630 HydrophobicContact CB-CG1 4.43Å; L231-V630 HydrophobicContact CD1-CG1 3.67Å; L231-L634 HydrophobicContact CB-CD1 4.13Å; L231-L634 HydrophobicContact CB-CD2 4.49Å; L231-L634 HydrophobicContact CD1-CD1 4.48Å; L231-L634 HydrophobicContact CD2-CD1 4.31Å
232	L	95.5	Very high	91.8	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.239	C	C	.	.	I	π-helix	trans	-103.9	-42.4	-166.9	-55.6	-172.1	0	0	0	113.5	T228 R554 V555 Y629 V630 L633 L634	T228-L232 HydrophobicContact CG2-CD1 4.21Å; T228-L232 CarbonylContact O-C 3.52Å; T228-L232 WeakPolarHBondContact O-CA 3.23Å; T228-L232 PolarHBondContact O-N 3.45Å; L232-R554 CarbonylContact O-C 3.47Å; L232-R554 VanDerWaalsContact O-CA 3.27Å; L232-R554 WeakPolarHBondContact O-CA 3.49Å; L232-R554 WeakPolarHBondContact O-CB 3.42Å; L232-V555 HydrophobicContact CB-CG2 4.26Å; L232-V555 PolarHBondContact O-N 2.77Å; L232-Y629 HydrophobicContact CD1-CD1 4.14Å; L232-Y629 HydrophobicContact CD1-CE1 3.81Å; L232-V630 HydrophobicContact CD1-CG2 4.37Å; L232-V630 HydrophobicContact CD2-CG1 4.37Å; L232-L633 HydrophobicContact CD1-CD2 4.14Å; L232-L633 HydrophobicContact CD2-CB 4.46Å; L232-L633 HydrophobicContact CD2-CD2 4.1Å; L232-L634 HydrophobicContact CD2-CD2 3.78Å; L232-L634 HydrophobicContact CD2-CG 3.91Å
233	S	93.9	Very high	91.9	Very high	25 Å²	25	46.7 Å²	46.7	18%	0.175	25%	0.246	C	C	.	.	B	Isolated β-bridge	trans	-67	132.4	-174.2	-164.6	0	0	0	0	111.4	T228 V555 T560	T228-S233 WeakPolarHBondContact O-CB 3.38Å; T228-S233 PolarHBondContact O-N 2.81Å; S233-V555 WeakPolarHBondContact CA-O 3.42Å; S233-T560 PolarHBondContact OG-OG1 3.33Å
234	S	87.8	Confident	92	Very high	8 Å²	8	45.7 Å²	45.7	6%	0.056	24%	0.239	C	C	.	.			trans	-156.7	133.8	-179.5	167.5	0	0	0	0	110.8	Q236 V555	S234-Q236 VanDerWaalsContact C-N 3.25Å; S234-Q236 WeakPolarHBondContact OG-CB 3.25Å; S234-Q236 PolarHBondContact OG-N 3.21Å; S234-Q236 PolarHBondContact OG-OE1 3.42Å; S234-V555 PolarHBondContact N-O 2.77Å
235	P	81.6	Confident	92	Very high	96 Å²	96	45.8 Å²	45.8	62%	0.623	24%	0.24	S	C	*	.	S	Bend	trans	-78.6	-9.1	170.4	33.7	-36	0	0	0	112.7
236	Q	83.6	Confident	92	Very high	121 Å²	121	45.7 Å²	45.7	57%	0.565	24%	0.24	S	C	*	.			trans	-75.1	129.8	-178.1	-67.5	88.6	8.8	0	0	111.1	S234	S234-Q236 VanDerWaalsContact C-N 3.25Å; S234-Q236 WeakPolarHBondContact OG-CB 3.25Å; S234-Q236 PolarHBondContact OG-N 3.21Å; S234-Q236 PolarHBondContact OG-OE1 3.42Å
237	L	86.4	Confident	92.2	Very high	93 Å²	93	42.4 Å²	42.4	49%	0.487	22%	0.224	S	C	.	.			trans	-94.5	102.2	173.4	179.2	61	0	0	0	109.6	T239 T486 K550	L237-T239 HydrophobicContact CD1-CG2 3.96Å; L237-T239 HydrophobicContact CD2-CG2 4.31Å; L237-T239 HydrophobicContact CG-CG2 3.87Å; L237-T486 HydrophobicContact CD1-CG2 4.02Å; L237-K550 HydrophobicContact CD1-CB 3.87Å; L237-K550 HydrophobicContact CD1-CD 3.8Å; L237-K550 HydrophobicContact CD1-CG 3.73Å
238	V	88.8	Confident	92.3	Very high	74 Å²	74	42.7 Å²	42.7	45%	0.448	23%	0.225	S	C	.	.			trans	-102.8	119.4	170.3	-175.4	0	0	0	0	108.3	K550 R551	V238-K550 WeakPolarHBondContact O-CG 3.4Å; V238-R551 HydrophobicContact CG1-CB 4.49Å; V238-R551 HydrophobicContact CG1-CG 4.34Å; V238-R551 PolarHBondContact O-N 2.82Å
239	T	92.4	Very high	92.4	Very high	41 Å²	41	42.7 Å²	42.7	25%	0.252	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	164.5	-176	56	0	0	0	0	112.5	L237 E548 V549	L237-T239 HydrophobicContact CD1-CG2 3.96Å; L237-T239 HydrophobicContact CD2-CG2 4.31Å; L237-T239 HydrophobicContact CG-CG2 3.87Å; T239-E548 VanDerWaalsContact CB-OE2 3.22Å; T239-E548 WeakPolarHBondContact CB-OE2 3.39Å; T239-E548 HydrophobicContact CG2-CB 4.02Å; T239-E548 PolarHBondContact OG1-OE2 2.65Å; T239-V549 CarbonylContact C-O 3.55Å; T239-V549 VanDerWaalsContact CA-O 3.24Å; T239-V549 WeakPolarHBondContact CA-O 3.43Å; T239-V549 WeakPolarHBondContact CB-O 3.24Å
240	S	88	Confident	92.7	Very high	12 Å²	12	39.1 Å²	39.1	8%	0.084	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	105.2	160.7	-180	0	0	0	0	108.4	K242 W243 V549	S240-K242 PolarHBondContact O-N 3.37Å; S240-W243 PolarHBondContact O-N 3.1Å; S240-V549 PolarHBondContact N-O 2.77Å
241	G	88.6	Confident	93	Very high	40 Å²	40	33.4 Å²	33.4	41%	0.412	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	0.2	179.1	0	0	0	0	0	115.3	E548	G241-E548 WeakPolarHBondContact CA-OE1 3.33Å
242	K	93.2	Very high	93.2	Very high	116 Å²	116	34.8 Å²	34.8	50%	0.504	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	-39.1	175.1	-62.9	-174.6	-179.2	-175.3	0	112.3	S240 D640 V706	S240-K242 PolarHBondContact O-N 3.37Å; K242-D640 IonicContact NZ-OD1 3.56Å; K242-D640 PolarHBondContact NZ-OD1 2.91Å; K242-V706 PolarHBondContact O-N 2.95Å
243	W	96.8	Very high	93.3	Very high	52 Å²	52	34.8 Å²	34.8	20%	0.197	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	146.7	-166.8	-48.9	132.8	0	0	0	112.7	S240 L247 K445 V549 F704 V706	S240-W243 PolarHBondContact O-N 3.1Å; W243-L247 HydrophobicContact CB-CD2 3.97Å; W243-L247 HydrophobicContact CG-CD2 4.21Å; W243-K445 HydrophobicContact CD2-CD 3.78Å; W243-K445 HydrophobicContact CD2-CG 4.18Å; W243-K445 HydrophobicContact CE3-CD 3.81Å; W243-K445 HydrophobicContact CE3-CG 4.49Å; W243-K445 HydrophobicContact CG-CD 4.35Å; W243-K445 HydrophobicContact CH2-CD 4.22Å; W243-K445 HydrophobicContact CH2-CG 4.19Å; W243-K445 HydrophobicContact CZ2-CD 4.18Å; W243-K445 HydrophobicContact CZ2-CG 3.82Å; W243-K445 HydrophobicContact CZ3-CD 4.04Å; W243-V549 HydrophobicContact CB-CG1 3.86Å; W243-V549 WeakPolarHBondContact O-CG1 3.41Å; W243-V549 PolarHBondContact O-N 2.96Å; W243-F704 CarbonylContact C-O 3.44Å; W243-F704 VanDerWaalsContact CA-O 3.23Å; W243-F704 WeakPolarHBondContact CA-O 3.34Å; W243-V706 VanDerWaalsContact C-CG2 3.48Å; W243-V706 WeakPolarHBondContact O-CG2 3.46Å
244	N	97.4	Very high	93.5	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	166.2	-178.4	73.2	31.9	0	0	0	112.8	L246 L247 L544 L545 M547 G703 F704 A705 V706	N244-L246 PolarHBondContact O-N 3.31Å; N244-L246 WeakPolarHBondContact OD1-CB 3.42Å; N244-L246 PolarHBondContact OD1-N 3.35Å; N244-L246 VanDerWaalsContact OD1-N 3.11Å; N244-L247 VanDerWaalsContact O-CB 3.22Å; N244-L247 WeakPolarHBondContact O-CB 3.44Å; N244-L247 PolarHBondContact O-N 3.23Å; N244-L247 VanDerWaalsContact O-N 3.11Å; N244-L544 WeakPolarHBondContact CB-O 3.2Å; N244-L545 WeakPolarHBondContact CB-O 3.48Å; N244-L545 WeakPolarHBondContact ND2-CD2 3.29Å; N244-M547 CarbonylContact C-O 2.87Å; N244-M547 WeakPolarHBondContact CA-O 3.12Å; N244-G703 PolarHBondContact ND2-O 3.09Å; N244-F704 PolarHBondContact N-O 2.92Å; N244-F704 VanDerWaalsContact ND2-C 3.32Å; N244-F704 WeakPolarHBondContact ND2-CA 3.37Å; N244-A705 PolarHBondContact ND2-O 3.44Å; N244-V706 HydrophobicContact CB-CG2 4.42Å
245	M	96.8	Very high	94	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.005	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-15.1	-174.7	-167.4	57	165.8	0	0	114	L247 M248 Q249 M484 T486 L544 M547 V549	M245-L247 PolarHBondContact O-N 3.39Å; M245-M248 HydrophobicContact CE-CB 4.41Å; M245-M248 HydrophobicContact CE-CE 3.29Å; M245-M248 HydrophobicContact CE-CG 4.39Å; M245-M248 PolarHBondContact O-N 2.99Å; M245-M248 HydrophobicContact SD-CB 3.87Å; M245-M248 HydrophobicContact SD-CE 4.18Å; M245-M248 HydrophobicContact SD-CG 4.46Å; M245-Q249 PolarHBondContact O-N 2.74Å; M245-M484 VanDerWaalsContact CE-O 3.25Å; M245-M484 WeakPolarHBondContact CE-O 3.45Å; M245-T486 HydrophobicContact CE-CG2 3.85Å; M245-T486 WeakPolarHBondContact CE-OG1 3.06Å; M245-T486 HydrophobicContact SD-CG2 4.33Å; M245-L544 HydrophobicContact CB-CD2 3.96Å; M245-L544 HydrophobicContact CG-CD2 3.72Å; M245-L544 PolarHBondContact N-O 2.88Å; M245-M547 HydrophobicContact CB-CB 3.89Å; M245-M547 PolarHBondContact N-O 3.32Å; M245-V549 HydrophobicContact SD-CG2 4.08Å
246	L	97.7	Very high	94.7	Very high	2 Å²	2	30.7 Å²	30.7	1%	0.01	17%	0.166	C	C	.	.	H	α-helix	trans	-60.3	-27.6	170.4	-173.9	63.4	0	0	0	111.3	N244 M248 Q249 F250 V395 L544 L545 I685 M689 F704	N244-L246 PolarHBondContact O-N 3.31Å; N244-L246 WeakPolarHBondContact OD1-CB 3.42Å; N244-L246 PolarHBondContact OD1-N 3.35Å; N244-L246 VanDerWaalsContact OD1-N 3.11Å; L246-M248 VanDerWaalsContact C-N 3.33Å; L246-M248 PolarHBondContact O-N 2.97Å; L246-Q249 PolarHBondContact O-N 2.76Å; L246-F250 VanDerWaalsContact O-CB 3.3Å; L246-F250 WeakPolarHBondContact O-CB 3.23Å; L246-F250 PolarHBondContact O-N 3.3Å; L246-V395 HydrophobicContact CD1-CG2 4.1Å; L246-L544 HydrophobicContact CB-CB 4.25Å; L246-L544 HydrophobicContact CD1-CD1 4.12Å; L246-L544 PolarHBondContact N-O 3.13Å; L246-L545 HydrophobicContact CD2-CD2 4.24Å; L246-I685 HydrophobicContact CD2-CG1 3.77Å; L246-M689 HydrophobicContact CD2-CE 4.32Å; L246-M689 HydrophobicContact CD2-SD 3.56Å; L246-M689 VanDerWaalsContact CD2-SD 3.56Å; L246-F704 HydrophobicContact CB-CD1 4.35Å; L246-F704 HydrophobicContact CB-CE1 4.46Å; L246-F704 HydrophobicContact CD2-CE1 4.41Å; L246-F704 HydrophobicContact CG-CD1 4.38Å; L246-F704 HydrophobicContact CG-CE1 4.08Å
247	L	98.2	Very high	95.4	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-58.6	-43.5	175.5	-169.5	76.1	0	0	0	112.2	W243 N244 M245 G251 W442 K445 I446 M484 V549 L642 F704	W243-L247 HydrophobicContact CB-CD2 3.97Å; W243-L247 HydrophobicContact CG-CD2 4.21Å; N244-L247 VanDerWaalsContact O-CB 3.22Å; N244-L247 WeakPolarHBondContact O-CB 3.44Å; N244-L247 PolarHBondContact O-N 3.23Å; N244-L247 VanDerWaalsContact O-N 3.11Å; M245-L247 PolarHBondContact O-N 3.39Å; L247-G251 PolarHBondContact O-N 3.22Å; L247-G251 VanDerWaalsContact O-N 3.15Å; L247-W442 VanDerWaalsContact CD1-CD1 3.45Å; L247-W442 HydrophobicContact CD1-CG 4.25Å; L247-W442 PolarHBondContact O-NE1 3.42Å; L247-K445 HydrophobicContact CD1-CB 4.1Å; L247-K445 HydrophobicContact CD1-CD 3.8Å; L247-K445 HydrophobicContact CD2-CB 4.31Å; L247-I446 HydrophobicContact CD2-CD1 4.17Å; L247-I446 HydrophobicContact CG-CD1 4.38Å; L247-M484 HydrophobicContact CD2-CE 4.18Å; L247-M484 HydrophobicContact CG-CE 4.44Å; L247-V549 HydrophobicContact CD2-CG1 4.49Å; L247-L642 HydrophobicContact CD2-CD1 3.55Å; L247-F704 HydrophobicContact CB-CD1 3.94Å; L247-F704 HydrophobicContact CB-CE1 4.47Å; L247-F704 HydrophobicContact CD1-CB 4.13Å; L247-F704 HydrophobicContact CD1-CD1 3.81Å; L247-F704 HydrophobicContact CD1-CD2 4.1Å; L247-F704 HydrophobicContact CD1-CE1 4.2Å; L247-F704 HydrophobicContact CD1-CE2 4.46Å; L247-F704 HydrophobicContact CD1-CG 3.76Å
248	M	97.7	Very high	96	Very high	10 Å²	10	20.6 Å²	20.6	5%	0.049	12%	0.116	C	C	.	.	H	α-helix	trans	-64	-49.3	174.5	-177.1	-79.4	-74.3	0	0	110.3	M245 L246 F250 G251 Q252 M484 I485 V549	M245-M248 HydrophobicContact CE-CB 4.41Å; M245-M248 HydrophobicContact CE-CE 3.29Å; M245-M248 HydrophobicContact CE-CG 4.39Å; M245-M248 PolarHBondContact O-N 2.99Å; M245-M248 HydrophobicContact SD-CB 3.87Å; M245-M248 HydrophobicContact SD-CE 4.18Å; M245-M248 HydrophobicContact SD-CG 4.46Å; L246-M248 VanDerWaalsContact C-N 3.33Å; L246-M248 PolarHBondContact O-N 2.97Å; M248-F250 PolarHBondContact O-N 2.74Å; M248-G251 PolarHBondContact O-N 2.87Å; M248-G251 VanDerWaalsContact O-N 3.17Å; M248-Q252 PolarHBondContact O-N 3.4Å; M248-M484 HydrophobicContact CB-CB 3.95Å; M248-M484 HydrophobicContact CB-CE 4.01Å; M248-M484 HydrophobicContact CG-CB 3.54Å; M248-I485 HydrophobicContact CE-CG1 4.14Å; M248-I485 HydrophobicContact SD-CG1 4.22Å; M248-V549 HydrophobicContact CB-CG2 4.18Å
249	Q	97.7	Very high	96.4	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-67.9	-36.6	-173.1	-168.8	57.1	77	0	0	112.9	M245 L246 Q252 F253 A391 V395 L544	M245-Q249 PolarHBondContact O-N 2.74Å; L246-Q249 PolarHBondContact O-N 2.76Å; Q249-Q252 PolarHBondContact O-N 3.31Å; Q249-F253 PolarHBondContact O-N 3.15Å; Q249-F253 VanDerWaalsContact O-N 3.11Å; Q249-A391 VanDerWaalsContact CD-C 3.4Å; Q249-A391 HydrophobicContact CG-CB 4.14Å; Q249-A391 WeakPolarHBondContact CG-O 3.33Å; Q249-A391 VanDerWaalsContact OE1-C 3.32Å; Q249-V395 HydrophobicContact CB-CG2 4.39Å; Q249-V395 HydrophobicContact CG-CG2 3.58Å; Q249-L544 HydrophobicContact CB-CD1 4.17Å; Q249-L544 HydrophobicContact CG-CD1 4.23Å
250	F	98.5	Very high	96.5	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-67.2	-39.7	172.9	-173	-95.7	0	0	0	111.4	L246 M248 Q252 F253 I254 F399 I437 W442 I685 F704	L246-F250 VanDerWaalsContact O-CB 3.3Å; L246-F250 WeakPolarHBondContact O-CB 3.23Å; L246-F250 PolarHBondContact O-N 3.3Å; M248-F250 PolarHBondContact O-N 2.74Å; F250-Q252 VanDerWaalsContact C-N 3.29Å; F250-Q252 PolarHBondContact O-N 3.33Å; F250-F253 HydrophobicContact CE2-CD1 4.4Å; F250-F253 WeakPolarHBondContact O-CB 3.29Å; F250-F253 PolarHBondContact O-N 3.07Å; F250-F253 VanDerWaalsContact O-N 3.1Å; F250-I254 HydrophobicContact CD1-CG2 4.09Å; F250-I254 HydrophobicContact CE1-CD1 4.46Å; F250-I254 HydrophobicContact CE1-CG2 3.55Å; F250-I254 HydrophobicContact CE2-CG2 4.39Å; F250-I254 HydrophobicContact CZ-CG2 3.72Å; F250-I254 PolarHBondContact O-N 3.36Å; F250-F399 HydrophobicContact CE2-CE2 4.26Å; F250-F399 HydrophobicContact CE2-CZ 4.06Å; F250-I437 HydrophobicContact CD1-CG2 4.38Å; F250-I437 HydrophobicContact CD2-CG2 4.43Å; F250-I437 HydrophobicContact CE1-CB 4.46Å; F250-I437 HydrophobicContact CE1-CG2 3.69Å; F250-I437 HydrophobicContact CE2-CB 4.4Å; F250-I437 HydrophobicContact CE2-CG2 3.77Å; F250-I437 HydrophobicContact CZ-CB 3.84Å; F250-I437 HydrophobicContact CZ-CG2 3.35Å; F250-W442 HydrophobicContact CD1-CB 4.06Å; F250-W442 AromaticContact CD1-CD1 3.57Å; F250-W442 AromaticContact CD1-CG 3.83Å; F250-W442 HydrophobicContact CD1-CG 3.83Å; F250-W442 HydrophobicContact CE1-CB 4.11Å; F250-W442 HydrophobicContact CE1-CG 4.26Å; F250-I685 HydrophobicContact CD2-CD1 3.95Å; F250-I685 HydrophobicContact CE2-CD1 4.11Å; F250-F704 HydrophobicContact CB-CE1 3.86Å; F250-F704 HydrophobicContact CB-CZ 3.96Å; F250-F704 AromaticContact CD1-CZ 3.89Å; F250-F704 HydrophobicContact CD1-CZ 3.89Å; F250-F704 HydrophobicContact CD2-CZ 4.5Å; F250-F704 HydrophobicContact CG-CE1 4.26Å; F250-F704 AromaticContact CG-CZ 3.85Å; F250-F704 HydrophobicContact CG-CZ 3.85Å
251	G	98.3	Very high	96.9	Very high	8 Å²	8	17.3 Å²	17.3	8%	0.082	9%	0.092	C	C	.	.	H	α-helix	trans	-57.4	-41	172.9	0	0	0	0	0	112.6	L247 M248 I254 V255	L247-G251 PolarHBondContact O-N 3.22Å; L247-G251 VanDerWaalsContact O-N 3.15Å; M248-G251 PolarHBondContact O-N 2.87Å; M248-G251 VanDerWaalsContact O-N 3.17Å; G251-I254 VanDerWaalsContact O-CG1 3.26Å; G251-I254 WeakPolarHBondContact O-CG1 3.29Å; G251-V255 WeakPolarHBondContact O-CG2 3.46Å; G251-V255 PolarHBondContact O-N 3.24Å
252	Q	97.8	Very high	97.1	Very high	32 Å²	32	15.4 Å²	15.4	15%	0.15	7%	0.072	C	C	.	.	H	α-helix	trans	-64.8	-43.5	173.2	-173	179.7	20	0	0	112.4	M248 Q249 F250 I254 V255 H256 F389 L392	M248-Q252 PolarHBondContact O-N 3.4Å; Q249-Q252 PolarHBondContact O-N 3.31Å; F250-Q252 VanDerWaalsContact C-N 3.29Å; F250-Q252 PolarHBondContact O-N 3.33Å; Q252-I254 PolarHBondContact O-N 3.05Å; Q252-V255 PolarHBondContact O-N 2.96Å; Q252-H256 PolarHBondContact O-CD2 3.13Å; Q252-H256 PolarHBondContact O-N 2.87Å; Q252-F389 VanDerWaalsContact NE2-CD2 3.26Å; Q252-L392 HydrophobicContact CG-CD1 4.34Å; Q252-L392 HydrophobicContact CG-CD2 4.46Å
253	F	98.4	Very high	97	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-58	-47.3	179.3	173.3	-96.9	0	0	0	111.9	Q249 F250 V255 H256 D257 A331 V332 L392 V395 H396 F399 I434	Q249-F253 PolarHBondContact O-N 3.15Å; Q249-F253 VanDerWaalsContact O-N 3.11Å; F250-F253 HydrophobicContact CE2-CD1 4.4Å; F250-F253 WeakPolarHBondContact O-CB 3.29Å; F250-F253 PolarHBondContact O-N 3.07Å; F250-F253 VanDerWaalsContact O-N 3.1Å; F253-V255 PolarHBondContact O-N 3.31Å; F253-H256 PolarHBondContact O-N 3.15Å; F253-D257 PolarHBondContact O-N 2.96Å; F253-A331 HydrophobicContact CD2-CB 4.3Å; F253-A331 HydrophobicContact CE2-CB 3.75Å; F253-A331 HydrophobicContact CZ-CB 4.05Å; F253-V332 HydrophobicContact CE2-CG2 4.26Å; F253-V332 HydrophobicContact CZ-CG2 4.03Å; F253-L392 HydrophobicContact CB-CD1 4.26Å; F253-V395 HydrophobicContact CB-CG1 3.92Å; F253-V395 HydrophobicContact CD1-CG1 4.35Å; F253-V395 HydrophobicContact CD2-CG1 3.9Å; F253-V395 HydrophobicContact CG-CG1 3.78Å; F253-H396 AromaticContact CD2-CD2 3.91Å; F253-H396 AromaticContact CD2-NE2 3.79Å; F253-H396 AromaticContact CE2-CE1 3.94Å; F253-H396 AromaticContact CE2-ND1 3.92Å; F253-F399 HydrophobicContact CD1-CD2 4.39Å; F253-F399 AromaticContact CD1-CE2 3.86Å; F253-F399 HydrophobicContact CD1-CE2 3.86Å; F253-F399 AromaticContact CE1-CD2 3.68Å; F253-F399 HydrophobicContact CE1-CD2 3.68Å; F253-F399 AromaticContact CE1-CE2 3.35Å; F253-F399 HydrophobicContact CE1-CE2 3.35Å; F253-F399 AromaticContact CE1-CZ 3.99Å; F253-F399 HydrophobicContact CE1-CZ 3.99Å; F253-F399 AromaticContact CE2-CD2 3.85Å; F253-F399 HydrophobicContact CE2-CD2 3.85Å; F253-F399 HydrophobicContact CE2-CE2 4.28Å; F253-F399 AromaticContact CZ-CD2 3.36Å; F253-F399 HydrophobicContact CZ-CD2 3.36Å; F253-F399 AromaticContact CZ-CE2 3.6Å; F253-F399 HydrophobicContact CZ-CE2 3.6Å; F253-F399 HydrophobicContact CZ-CG 4.05Å; F253-F399 HydrophobicContact CZ-CZ 4.44Å; F253-I434 HydrophobicContact CE1-CD1 3.93Å; F253-I434 HydrophobicContact CE1-CG1 4.16Å; F253-I434 HydrophobicContact CZ-CD1 4.15Å
254	I	98.2	Very high	96.8	Very high	2 Å²	2	11.9 Å²	11.9	1%	0.01	6%	0.062	C	C	.	.	H	α-helix	trans	-70.9	-29	-179.4	64.6	176	0	0	0	113.3	F250 G251 Q252 H256 D257 T258 L327 I434 T438 W442 F655	F250-I254 HydrophobicContact CD1-CG2 4.09Å; F250-I254 HydrophobicContact CE1-CD1 4.46Å; F250-I254 HydrophobicContact CE1-CG2 3.55Å; F250-I254 HydrophobicContact CE2-CG2 4.39Å; F250-I254 HydrophobicContact CZ-CG2 3.72Å; F250-I254 PolarHBondContact O-N 3.36Å; G251-I254 VanDerWaalsContact O-CG1 3.26Å; G251-I254 WeakPolarHBondContact O-CG1 3.29Å; Q252-I254 PolarHBondContact O-N 3.05Å; I254-H256 VanDerWaalsContact C-N 3.33Å; I254-D257 WeakPolarHBondContact O-CB 3.34Å; I254-D257 PolarHBondContact O-N 3.49Å; I254-T258 WeakPolarHBondContact O-CG2 3.41Å; I254-T258 PolarHBondContact O-N 3.01Å; I254-T258 PolarHBondContact O-OG1 3.03Å; I254-L327 HydrophobicContact CB-CD2 3.92Å; I254-L327 HydrophobicContact CG2-CD2 4.3Å; I254-I434 HydrophobicContact CG2-CG2 4.28Å; I254-T438 HydrophobicContact CD1-CG2 3.88Å; I254-W442 HydrophobicContact CD1-CD2 3.94Å; I254-W442 HydrophobicContact CD1-CE3 3.68Å; I254-W442 HydrophobicContact CD1-CH2 4.05Å; I254-W442 HydrophobicContact CD1-CZ2 4.26Å; I254-W442 HydrophobicContact CD1-CZ3 3.74Å; I254-F655 HydrophobicContact CD1-CE1 4.41Å; I254-F655 HydrophobicContact CD1-CZ 3.98Å
255	V	97.6	Very high	96.3	Very high	24 Å²	24	12.5 Å²	12.5	15%	0.145	7%	0.066	C	C	.	.	H	α-helix	trans	-68.7	-37	171.6	170	0	0	0	0	110.8	G251 Q252 F253 D257 T258 S259 M478	G251-V255 WeakPolarHBondContact O-CG2 3.46Å; G251-V255 PolarHBondContact O-N 3.24Å; Q252-V255 PolarHBondContact O-N 2.96Å; F253-V255 PolarHBondContact O-N 3.31Å; V255-D257 VanDerWaalsContact C-N 3.29Å; V255-T258 PolarHBondContact O-N 2.99Å; V255-T258 PolarHBondContact O-OG1 3.14Å; V255-S259 PolarHBondContact O-N 3.12Å; V255-S259 PolarHBondContact O-OG 3.3Å; V255-M478 HydrophobicContact CG2-CB 3.99Å; V255-M478 HydrophobicContact CG2-CE 3.27Å; V255-M478 HydrophobicContact CG2-CG 4.26Å
256	H	97.8	Very high	95.7	Very high	16 Å²	16	14.8 Å²	14.8	7%	0.074	8%	0.083	C	C	.	.	H	α-helix	trans	-71	-26.3	174.6	-74.1	-157.4	0	0	0	112.4	Q252 F253 I254 T258 N323 D383 R385	Q252-H256 PolarHBondContact O-CD2 3.13Å; Q252-H256 PolarHBondContact O-N 2.87Å; F253-H256 PolarHBondContact O-N 3.15Å; I254-H256 VanDerWaalsContact C-N 3.33Å; H256-T258 VanDerWaalsContact C-N 3.28Å; H256-T258 PolarHBondContact O-N 3.45Å; H256-N323 PolarHBondContact O-ND2 2.95Å; H256-D383 IonicContact ND1-OD2 3.38Å; H256-R385 VanDerWaalsContact CE1-CB 3.47Å; H256-R385 WeakPolarHBondContact CE1-CB 3.4Å; H256-R385 PolarHBondContact O-NH2 2.99Å
257	D	98.3	Very high	95	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-67.7	-29.8	172.3	-157.9	28.3	0	0	0	112.6	F253 I254 V255 L327 D328 G329 S330 A331	F253-D257 PolarHBondContact O-N 2.96Å; I254-D257 WeakPolarHBondContact O-CB 3.34Å; I254-D257 PolarHBondContact O-N 3.49Å; V255-D257 VanDerWaalsContact C-N 3.29Å; D257-L327 WeakPolarHBondContact OD2-CA 3.5Å; D257-D328 PolarHBondContact OD2-N 2.88Å; D257-G329 WeakPolarHBondContact OD1-CA 3.35Å; D257-G329 PolarHBondContact OD1-N 2.97Å; D257-G329 PolarHBondContact OD2-N 2.73Å; D257-S330 PolarHBondContact O-OG 3.31Å; D257-S330 WeakPolarHBondContact OD1-CA 3.19Å; D257-S330 PolarHBondContact OD1-N 3.07Å; D257-S330 PolarHBondContact OD1-OG 2.86Å; D257-A331 HydrophobicContact CB-CB 3.99Å; D257-A331 PolarHBondContact OD1-N 3.09Å
258	T	98.2	Very high	94.5	Very high	3 Å²	3	24.5 Å²	24.5	2%	0.018	12%	0.124	C	C	.	.	H	α-helix	trans	-109.2	-25.1	-167.8	52.1	0	0	0	0	114.2	I254 V255 H256 N321 T324 A325 L327 I469 L658	I254-T258 WeakPolarHBondContact O-CG2 3.41Å; I254-T258 PolarHBondContact O-N 3.01Å; I254-T258 PolarHBondContact O-OG1 3.03Å; V255-T258 PolarHBondContact O-N 2.99Å; V255-T258 PolarHBondContact O-OG1 3.14Å; H256-T258 VanDerWaalsContact C-N 3.28Å; H256-T258 PolarHBondContact O-N 3.45Å; T258-N321 PolarHBondContact O-ND2 2.62Å; T258-T324 CarbonylContact C-O 3.49Å; T258-T324 VanDerWaalsContact C-O 3.25Å; T258-T324 VanDerWaalsContact CA-O 3.25Å; T258-T324 WeakPolarHBondContact CA-O 3.45Å; T258-A325 VanDerWaalsContact CG2-O 3.27Å; T258-A325 WeakPolarHBondContact CG2-O 3.37Å; T258-L327 HydrophobicContact CG2-CD2 3.58Å; T258-L327 HydrophobicContact CG2-CG 4.16Å; T258-I469 VanDerWaalsContact O-CG1 3.25Å; T258-I469 WeakPolarHBondContact O-CG1 3.22Å; T258-L658 HydrophobicContact CG2-CD1 4.26Å
259	S	97.1	Very high	94.2	Very high	1 Å²	1	24.2 Å²	24.2	1%	0.007	12%	0.123	C	C	.	.			trans	-149.8	139	-172.4	66.9	0	0	0	0	115.6	V255 N321 R385 T474	V255-S259 PolarHBondContact O-N 3.12Å; V255-S259 PolarHBondContact O-OG 3.3Å; S259-N321 VanDerWaalsContact CA-OD1 3.24Å; S259-N321 WeakPolarHBondContact CA-OD1 3.47Å; S259-R385 VanDerWaalsContact O-CZ 3.24Å; S259-R385 PolarHBondContact O-NH1 3Å; S259-R385 PolarHBondContact O-NH2 3.33Å; S259-T474 WeakPolarHBondContact CB-OG1 3.39Å; S259-T474 PolarHBondContact OG-OG1 3.32Å
260	R	95.4	Very high	93.7	Very high	32 Å²	32	26.9 Å²	26.9	12%	0.121	15%	0.15	C	C	.	.			trans	-147.6	116.2	169.2	-179.5	173.8	170.8	-170.1	-4.7	109.8	N321 E322 N323 N384	R260-N321 PolarHBondContact N-OD1 3.27Å; R260-N321 CarbonylContact O-C 3.45Å; R260-N321 WeakPolarHBondContact O-CA 3.4Å; R260-N321 PolarHBondContact O-OD1 3.45Å; R260-E322 HydrophobicContact CB-CB 4.08Å; R260-E322 VanDerWaalsContact CD-OE2 3.31Å; R260-E322 WeakPolarHBondContact CD-OE2 3.41Å; R260-E322 HydrophobicContact CG-CB 4.17Å; R260-E322 IonicContact CZ-OE2 3.33Å; R260-E322 IonicContact NE-OE2 2.64Å; R260-E322 PolarHBondContact NE-OE2 2.61Å; R260-E322 IonicContact NH1-OE2 3.45Å; R260-E322 IonicContact NH2-OE2 2.66Å; R260-E322 PolarHBondContact NH2-OE2 2.97Å; R260-E322 PolarHBondContact O-N 2.93Å; R260-N323 HydrophobicContact CB-CB 4.42Å; R260-N323 WeakPolarHBondContact CB-OD1 3.44Å; R260-N384 VanDerWaalsContact CZ-ND2 3.34Å; R260-N384 PolarHBondContact NH1-ND2 3.36Å; R260-N384 PolarHBondContact NH1-OD1 3.29Å; R260-N384 PolarHBondContact NH2-ND2 2.78Å
261	T	95.2	Very high	93.4	Very high	24 Å²	24	29 Å²	29	15%	0.147	17%	0.165	C	C	.	.	B	Isolated β-bridge	trans	-77.1	126.9	178.3	-53.6	0	0	0	0	111.2	F198 S305	F198-T261 HydrophobicContact CE2-CG2 4.28Å; T261-S305 WeakPolarHBondContact CG2-OG 3.39Å
262	S	92.7	Very high	93.1	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	18%	0.175	C	C	.	.			trans	-63.6	133.3	169.5	-64.3	0	0	0	0	111.6	S305 S306 V320 E322	S262-S305 CarbonylContact O-C 3.41Å; S262-S305 WeakPolarHBondContact O-CA 3.23Å; S262-S306 PolarHBondContact O-N 3.15Å; S262-V320 PolarHBondContact N-O 2.99Å; S262-E322 VanDerWaalsContact CA-OE1 3.26Å; S262-E322 WeakPolarHBondContact CA-OE1 2.97Å; S262-E322 VanDerWaalsContact CB-OE1 3.26Å; S262-E322 WeakPolarHBondContact CB-OE1 3.36Å; S262-E322 VanDerWaalsContact OG-CD 3.24Å; S262-E322 WeakPolarHBondContact OG-CG 3.47Å; S262-E322 PolarHBondContact OG-OE1 2.58Å
263	L	91.5	Very high	92.8	Very high	84 Å²	84	34.6 Å²	34.6	44%	0.44	20%	0.195	S	C	.	.	B	Isolated β-bridge	trans	-113	145.1	178.8	-61.7	-178.8	0	0	0	111.5	N152 S306	N152-L263 PolarHBondContact ND2-O 3.01Å; L263-S306 PolarHBondContact O-OG 3.12Å
264	L	91.8	Very high	92.5	Very high	10 Å²	10	38.2 Å²	38.2	5%	0.052	21%	0.212	C	C	.	.			trans	-67.4	155.6	169.4	-71.9	170.5	0	0	0	110.4	G156 S266 G277 R278 T303 R304 S306	G156-L264 VanDerWaalsContact O-CD2 3.3Å; G156-L264 WeakPolarHBondContact O-CD2 3.27Å; L264-S266 PolarHBondContact O-N 2.82Å; L264-G277 WeakPolarHBondContact CD1-O 3.47Å; L264-R278 HydrophobicContact CD1-CB 4.29Å; L264-R278 HydrophobicContact CD1-CG 4.29Å; L264-T303 HydrophobicContact CB-CG2 3.75Å; L264-T303 WeakPolarHBondContact O-CG2 3.43Å; L264-R304 WeakPolarHBondContact CB-O 3.37Å; L264-R304 HydrophobicContact CD1-CB 4.42Å; L264-R304 PolarHBondContact N-O 3.11Å; L264-S306 WeakPolarHBondContact CA-OG 3.36Å; L264-S306 WeakPolarHBondContact CD2-OG 3.41Å; L264-S306 PolarHBondContact N-OG 3.38Å; L264-S306 VanDerWaalsContact N-OG 3.13Å
265	P	86.9	Confident	92.3	Very high	13 Å²	13	40.1 Å²	40.1	8%	0.084	22%	0.222	C	C	.	.			trans	-56.7	135	171.6	-25.8	36.1	0	0	0	111.8	Q153 D267 R278	Q153-P265 HydrophobicContact CB-CG 4.11Å; Q153-P265 HydrophobicContact CG-CB 4.37Å; Q153-P265 HydrophobicContact CG-CG 3.47Å; Q153-P265 VanDerWaalsContact CG-CG 3.47Å; P265-D267 WeakPolarHBondContact CB-OD1 3.33Å; P265-R278 PolarHBondContact O-NH1 3.37Å
266	S	84.9	Confident	91.9	Very high	50 Å²	50	44.4 Å²	44.4	35%	0.35	25%	0.25	S	C	.	.	S	Bend	trans	-86.1	-10.3	-173.3	67.1	0	0	0	0	114	E49 L264 R268 C269	E49-S266 PolarHBondContact OE1-OG 3.1Å; L264-S266 PolarHBondContact O-N 2.82Å; S266-R268 PolarHBondContact O-N 2.98Å; S266-C269 PolarHBondContact O-N 2.95Å
267	D	84	Confident	91.4	Very high	67 Å²	67	45.3 Å²	45.3	36%	0.358	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47.1	-34.7	-176.1	67.1	-42.1	0	0	0	114.7	N53 P265 R278	N53-D267 HydrophobicContact CB-CB 4.02Å; P265-D267 WeakPolarHBondContact CB-OD1 3.33Å; D267-R278 IonicContact OD1-NH1 2.59Å
268	R	86.4	Confident	91.2	Very high	139 Å²	139	46.9 Å²	46.9	53%	0.525	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98	0.5	-179.9	-58.7	-165.8	-77.4	-170.4	-5.6	115.1	S266 I275 R278 C279	S266-R268 PolarHBondContact O-N 2.98Å; R268-I275 HydrophobicContact CB-CD1 4.06Å; R268-I275 VanDerWaalsContact O-CD1 3.28Å; R268-I275 WeakPolarHBondContact O-CD1 3.23Å; R268-R278 VanDerWaalsContact NH2-NE 3.18Å; R268-C279 PolarHBondContact O-SG 3.36Å
269	C	90.9	Very high	91	Very high	4 Å²	4	46.9 Å²	46.9	3%	0.027	27%	0.269	C	S	.	.			trans	-105.8	20.5	-176.5	-56.4	0	0	0	0	114	S266 S271 C279 F301 T303	S266-C269 PolarHBondContact O-N 2.95Å; C269-S271 PolarHBondContact O-N 3.39Å; C269-S271 VanDerWaalsContact O-N 3.15Å; C269-C279 WeakPolarHBondContact CA-SG 3.42Å; C269-C279 HydrophobicContact CB-CB 3.84Å; C269-C279 WeakPolarHBondContact CB-SG 3.35Å; C269-C279 VanDerWaalsContact SG-CA 3.51Å; C269-C279 WeakPolarHBondContact SG-CB 3.47Å; C269-C279 CovalentContact SG-SG 2.04Å; C269-C279 PolarHBondContact SG-SG 3.36Å; C269-F301 WeakPolarHBondContact O-CB 3.23Å; C269-F301 WeakPolarHBondContact O-CG 3.13Å; C269-T303 WeakPolarHBondContact CB-OG1 3.06Å; C269-T303 PolarHBondContact SG-OG1 3.16Å; C269-T303 VanDerWaalsContact SG-OG1 3.34Å
270	G	88.8	Confident	90.9	Very high	55 Å²	55	47.2 Å²	47.2	57%	0.567	27%	0.271	S	S	*	.	S	Bend	trans	-79.4	24.9	176.7	0	0	0	0	0	115.1	F301	G270-F301 VanDerWaalsContact C-CZ 3.47Å; G270-F301 VanDerWaalsContact O-CZ 3.3Å; G270-F301 WeakPolarHBondContact O-CZ 3.44Å
271	S	90.9	Very high	90.9	Very high	45 Å²	45	46.8 Å²	46.8	32%	0.315	27%	0.272	S	S	.	.	S	Bend	trans	-145.3	168.2	178.1	76.6	0	0	0	0	111	C269 M273	C269-S271 PolarHBondContact O-N 3.39Å; C269-S271 VanDerWaalsContact O-N 3.15Å; S271-M273 PolarHBondContact O-N 3.11Å; S271-M273 WeakPolarHBondContact OG-CB 3.47Å; S271-M273 PolarHBondContact OG-N 2.84Å
272	C	92.4	Very high	90.9	Very high	41 Å²	41	45.7 Å²	45.7	28%	0.277	27%	0.265	S	S	.	.	S	Bend	trans	-80.9	9.3	174.9	-57.3	0	0	0	0	114.1	P281 P297 C299	C272-P281 WeakPolarHBondContact O-CG 3.44Å; C272-P297 HydrophobicContact CB-CB 4.31Å; C272-P297 HydrophobicContact CB-CG 3.91Å; C272-P297 PolarHBondContact SG-O 3.15Å; C272-P297 VanDerWaalsContact SG-O 3.37Å; C272-C299 WeakPolarHBondContact CA-SG 3.28Å; C272-C299 HydrophobicContact CB-CB 3.72Å; C272-C299 WeakPolarHBondContact CB-SG 3.32Å; C272-C299 WeakPolarHBondContact SG-CB 3.48Å; C272-C299 PolarHBondContact SG-N 3.48Å; C272-C299 VanDerWaalsContact SG-N 3.42Å; C272-C299 CovalentContact SG-SG 2.03Å; C272-C299 PolarHBondContact SG-SG 3.11Å
273	M	92.2	Very high	91	Very high	116 Å²	116	53.7 Å²	53.7	57%	0.571	30%	0.295	S	S	*	.			trans	-79.6	130	175.3	-174.4	178	60.5	0	0	110.1	S271 I275	S271-M273 PolarHBondContact O-N 3.11Å; S271-M273 WeakPolarHBondContact OG-CB 3.47Å; S271-M273 PolarHBondContact OG-N 2.84Å; M273-I275 HydrophobicContact CE-CD1 4.12Å; M273-I275 HydrophobicContact CE-CG1 4.04Å
274	E	91.6	Very high	91.2	Very high	76 Å²	76	49.9 Å²	49.9	36%	0.355	28%	0.275	S	S	.	.			trans	-70.7	131.5	168.8	-167.2	174.7	151.2	0	0	109.7	C279	E274-C279 WeakPolarHBondContact CG-O 3.46Å
275	I	92.9	Very high	91.2	Very high	43 Å²	43	52.4 Å²	52.4	22%	0.221	29%	0.287	C	S	.	.	B	Isolated β-bridge	trans	-116.9	108.4	171.9	-58.8	-174.7	0	0	0	106	R268 M273 G277 R278 C279	R268-I275 HydrophobicContact CB-CD1 4.06Å; R268-I275 VanDerWaalsContact O-CD1 3.28Å; R268-I275 WeakPolarHBondContact O-CD1 3.23Å; M273-I275 HydrophobicContact CE-CD1 4.12Å; M273-I275 HydrophobicContact CE-CG1 4.04Å; I275-G277 PolarHBondContact O-N 2.71Å; I275-R278 HydrophobicContact CB-CB 4.35Å; I275-R278 HydrophobicContact CG2-CB 4.08Å; I275-R278 PolarHBondContact O-N 2.88Å; I275-C279 HydrophobicContact CB-CB 3.89Å; I275-C279 HydrophobicContact CG1-CB 4.1Å; I275-C279 PolarHBondContact N-O 3.27Å; I275-C279 VanDerWaalsContact N-O 3.13Å; I275-C279 PolarHBondContact O-N 2.99Å
276	P	89.2	Confident	91.4	Very high	114 Å²	114	56 Å²	56	74%	0.74	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.4	131.1	-176.4	-31.6	36.2	0	0	0	112.5	R278	P276-R278 PolarHBondContact O-N 2.99Å
277	G	88.8	Confident	91.7	Very high	34 Å²	34	61.2 Å²	61.2	35%	0.351	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.8	-7.6	-178.8	0	0	0	0	0	116.5	L264 I275 R317	L264-G277 WeakPolarHBondContact CD1-O 3.47Å; I275-G277 PolarHBondContact O-N 2.71Å; G277-R317 PolarHBondContact O-NH1 3.25Å; G277-R317 PolarHBondContact O-NH2 3.48Å
278	R	93.1	Very high	92.1	Very high	33 Å²	33	58.5 Å²	58.5	13%	0.125	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-128.3	-58.1	-174.5	-179.1	-179.2	-70.2	-90.9	-9.2	115.5	L264 P265 D267 R268 I275 P276 R304	L264-R278 HydrophobicContact CD1-CB 4.29Å; L264-R278 HydrophobicContact CD1-CG 4.29Å; P265-R278 PolarHBondContact O-NH1 3.37Å; D267-R278 IonicContact OD1-NH1 2.59Å; R268-R278 VanDerWaalsContact NH2-NE 3.18Å; I275-R278 HydrophobicContact CB-CB 4.35Å; I275-R278 HydrophobicContact CG2-CB 4.08Å; I275-R278 PolarHBondContact O-N 2.88Å; P276-R278 PolarHBondContact O-N 2.99Å; R278-R304 WeakPolarHBondContact O-CB 3.48Å; R278-R304 WeakPolarHBondContact O-CG 3.2Å; R278-R304 PolarHBondContact O-N 3.44Å
279	C	95	Very high	92.2	Very high	3 Å²	3	57.1 Å²	57.1	2%	0.02	32%	0.317	C	S	.	.	B	Isolated β-bridge	trans	-112	127.8	-174.6	-52.3	0	0	0	0	109.1	R268 C269 E274 I275	R268-C279 PolarHBondContact O-SG 3.36Å; C269-C279 WeakPolarHBondContact CA-SG 3.42Å; C269-C279 HydrophobicContact CB-CB 3.84Å; C269-C279 WeakPolarHBondContact CB-SG 3.35Å; C269-C279 VanDerWaalsContact SG-CA 3.51Å; C269-C279 WeakPolarHBondContact SG-CB 3.47Å; C269-C279 CovalentContact SG-SG 2.04Å; C269-C279 PolarHBondContact SG-SG 3.36Å; E274-C279 WeakPolarHBondContact CG-O 3.46Å; I275-C279 HydrophobicContact CB-CB 3.89Å; I275-C279 HydrophobicContact CG1-CB 4.1Å; I275-C279 PolarHBondContact N-O 3.27Å; I275-C279 VanDerWaalsContact N-O 3.13Å; I275-C279 PolarHBondContact O-N 2.99Å
280	F	94.8	Very high	92.2	Very high	9 Å²	9	61.2 Å²	61.2	4%	0.039	33%	0.332	C	S	.	.			trans	-134	67.9	-179.3	-177.6	-140.7	0	0	0	110	P213 F302 R304 Q575 R578	P213-F280 HydrophobicContact CB-CD1 3.97Å; P213-F280 HydrophobicContact CB-CE1 3.47Å; P213-F280 VanDerWaalsContact CB-CE1 3.47Å; P213-F280 HydrophobicContact CB-CZ 3.83Å; P213-F280 HydrophobicContact CG-CD1 3.85Å; P213-F280 HydrophobicContact CG-CE1 3.9Å; P213-F280 HydrophobicContact CG-CG 4.3Å; P213-F280 HydrophobicContact CG-CZ 4.39Å; F280-F302 HydrophobicContact CB-CD1 4.03Å; F280-F302 HydrophobicContact CB-CE1 4.46Å; F280-F302 PolarHBondContact N-O 2.85Å; F280-F302 WeakPolarHBondContact O-CB 3.43Å; F280-F302 WeakPolarHBondContact O-CD1 3.21Å; F280-R304 HydrophobicContact CB-CG 3.98Å; F280-Q575 HydrophobicContact CD1-CG 3.9Å; F280-Q575 VanDerWaalsContact CE1-CD 3.46Å; F280-Q575 HydrophobicContact CE1-CG 4.1Å; F280-Q575 PolarHBondContact O-NE2 2.83Å; F280-R578 HydrophobicContact CE1-CB 4.23Å
281	P	95.3	Very high	92.4	Very high	22 Å²	22	59.8 Å²	59.8	14%	0.143	31%	0.31	C	S	.	.			trans	-60.1	145.8	-169.5	25.7	-34.1	0	0	0	112.2	C272 R283 C299	C272-P281 WeakPolarHBondContact O-CG 3.44Å; P281-R283 PolarHBondContact O-N 3.07Å; P281-C299 HydrophobicContact CB-CB 4.1Å
282	I	95.6	Very high	92.4	Very high	1 Å²	1	59 Å²	59	1%	0.005	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	111.5	177.9	-58.2	166.5	0	0	0	107.7	A224 R225 V284 C299 L300 F302 Q575	A224-I282 HydrophobicContact CB-CG1 4.41Å; A224-I282 HydrophobicContact CB-CG2 3.85Å; R225-I282 HydrophobicContact CB-CG2 3.94Å; I282-V284 PolarHBondContact O-N 2.72Å; I282-C299 CarbonylContact O-C 3.56Å; I282-C299 WeakPolarHBondContact O-CA 3.23Å; I282-C299 VanDerWaalsContact O-CB 3.24Å; I282-C299 WeakPolarHBondContact O-CB 3.1Å; I282-L300 HydrophobicContact CB-CB 4.12Å; I282-L300 HydrophobicContact CD1-CB 4.37Å; I282-L300 HydrophobicContact CD1-CD1 4.45Å; I282-L300 PolarHBondContact N-O 2.77Å; I282-L300 PolarHBondContact O-N 3.34Å; I282-F302 HydrophobicContact CD1-CD2 4.36Å; I282-F302 HydrophobicContact CG1-CB 4.34Å; I282-Q575 HydrophobicContact CD1-CB 3.86Å; I282-Q575 HydrophobicContact CD1-CG 4.17Å; I282-Q575 HydrophobicContact CG1-CB 3.81Å; I282-Q575 HydrophobicContact CG1-CG 3.62Å
283	R	94.5	Very high	92.2	Very high	169 Å²	169	59.1 Å²	59.1	64%	0.638	31%	0.31	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59.2	137.4	175.2	179.4	176	166.7	160	-1.7	110.6	S223 P281 E285	S223-R283 WeakPolarHBondContact CB-O 3.34Å; S223-R283 PolarHBondContact OG-O 3.39Å; P281-R283 PolarHBondContact O-N 3.07Å; R283-E285 IonicContact CZ-OE1 2.85Å; R283-E285 IonicContact NE-OE1 3.03Å; R283-E285 IonicContact NH2-OE1 3.33Å
284	V	95.3	Very high	92	Very high	3 Å²	3	58.7 Å²	58.7	2%	0.018	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	139.2	175.7	178.3	0	0	0	0	108.6	R225 I282 D288 F291 C298 L300	R225-V284 HydrophobicContact CB-CG2 4.33Å; R225-V284 HydrophobicContact CG-CG2 4.19Å; I282-V284 PolarHBondContact O-N 2.72Å; V284-D288 HydrophobicContact CG1-CB 3.4Å; V284-F291 HydrophobicContact CG1-CB 3.84Å; V284-F291 HydrophobicContact CG2-CB 4.22Å; V284-C298 HydrophobicContact CB-CB 4.05Å; V284-C298 HydrophobicContact CG1-CB 4.4Å; V284-C298 PolarHBondContact N-O 3.17Å; V284-L300 HydrophobicContact CG2-CG 4.02Å
285	E	92.3	Very high	91.7	Very high	64 Å²	64	65.9 Å²	65.9	30%	0.299	35%	0.348	S	S	.	.			trans	-71.4	146.6	175.4	-70.5	-57.8	130.7	0	0	111.6	R283 F287 D288	R283-E285 IonicContact CZ-OE1 2.85Å; R283-E285 IonicContact NE-OE1 3.03Å; R283-E285 IonicContact NH2-OE1 3.33Å; E285-F287 HydrophobicContact CB-CD1 4.33Å; E285-F287 HydrophobicContact CB-CE1 3.92Å; E285-F287 HydrophobicContact CB-CE2 4.42Å; E285-F287 HydrophobicContact CB-CZ 3.97Å; E285-F287 HydrophobicContact CG-CE1 4.38Å; E285-F287 HydrophobicContact CG-CZ 4.24Å; E285-F287 PolarHBondContact O-N 3.39Å; E285-F287 VanDerWaalsContact O-N 3.12Å; E285-D288 VanDerWaalsContact O-CB 3.28Å; E285-D288 WeakPolarHBondContact O-CB 3.26Å; E285-D288 PolarHBondContact O-N 3.16Å
286	N	91.6	Very high	91.5	Very high	87 Å²	87	67.2 Å²	67.2	47%	0.465	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-32.1	-173.3	-62.3	-15.4	0	0	0	113.1	G292 P296	N286-G292 WeakPolarHBondContact O-CA 3.45Å; N286-P296 VanDerWaalsContact CG-CG 3.48Å; N286-P296 WeakPolarHBondContact ND2-CG 3.32Å; N286-P296 VanDerWaalsContact OD1-CG 3.25Å; N286-P296 WeakPolarHBondContact OD1-CG 2.96Å
287	F	90.3	Very high	91.5	Very high	161 Å²	161	66.6 Å²	66.6	71%	0.706	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.4	11.7	-179.3	58.6	-92.6	0	0	0	113.4	E285 P289	E285-F287 HydrophobicContact CB-CD1 4.33Å; E285-F287 HydrophobicContact CB-CE1 3.92Å; E285-F287 HydrophobicContact CB-CE2 4.42Å; E285-F287 HydrophobicContact CB-CZ 3.97Å; E285-F287 HydrophobicContact CG-CE1 4.38Å; E285-F287 HydrophobicContact CG-CZ 4.24Å; E285-F287 PolarHBondContact O-N 3.39Å; E285-F287 VanDerWaalsContact O-N 3.12Å; F287-P289 VanDerWaalsContact O-CD 3.25Å; F287-P289 WeakPolarHBondContact O-CD 3.36Å
288	D	93.1	Very high	91.8	Very high	10 Å²	10	65.3 Å²	65.3	5%	0.053	34%	0.341	C	S	.	.			trans	-57.6	120	172.4	-179	-53.9	0	0	0	109.5	R225 R229 V284 E285 R290 F291 G292	R225-D288 IonicContact CZ-OD2 3.51Å; R225-D288 IonicContact NE-OD2 3.38Å; R225-D288 PolarHBondContact NE-OD2 3.32Å; R225-D288 IonicContact NH2-OD1 2.9Å; R225-D288 PolarHBondContact NH2-OD1 3.49Å; R225-D288 IonicContact NH2-OD2 2.7Å; R225-D288 PolarHBondContact NH2-OD2 3.03Å; R229-D288 VanDerWaalsContact CD-OD2 3.28Å; R229-D288 WeakPolarHBondContact CD-OD2 3.36Å; R229-D288 IonicContact CZ-OD2 3.19Å; R229-D288 IonicContact NE-OD2 2.62Å; R229-D288 IonicContact NH1-OD1 3.53Å; R229-D288 PolarHBondContact NH1-OD1 2.88Å; R229-D288 IonicContact NH1-OD2 3.86Å; R229-D288 PolarHBondContact NH1-OD2 3.44Å; V284-D288 HydrophobicContact CG1-CB 3.4Å; E285-D288 VanDerWaalsContact O-CB 3.28Å; E285-D288 WeakPolarHBondContact O-CB 3.26Å; E285-D288 PolarHBondContact O-N 3.16Å; D288-R290 PolarHBondContact O-N 3.42Å; D288-R290 PolarHBondContact OD1-N 3.02Å; D288-F291 PolarHBondContact OD1-N 2.89Å; D288-G292 VanDerWaalsContact O-CA 3.26Å; D288-G292 WeakPolarHBondContact O-CA 3.03Å; D288-G292 PolarHBondContact O-N 3.05Å
289	P	88.5	Confident	91.8	Very high	110 Å²	110	64.8 Å²	64.8	71%	0.714	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-19.3	-176.3	18.2	-36	0	0	0	115.8	F287	F287-P289 VanDerWaalsContact O-CD 3.25Å; F287-P289 WeakPolarHBondContact O-CD 3.36Å
290	R	90.8	Very high	91.8	Very high	90 Å²	90	65.4 Å²	65.4	34%	0.34	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.4	-46.4	-178.4	177.9	58.4	-179	149.4	0.7	112.8	D288 E561 G565	D288-R290 PolarHBondContact O-N 3.42Å; D288-R290 PolarHBondContact OD1-N 3.02Å; R290-E561 WeakPolarHBondContact CB-OE2 3.49Å; R290-E561 HydrophobicContact CG-CB 4.27Å; R290-E561 WeakPolarHBondContact CG-OE2 3.33Å; R290-E561 PolarHBondContact NE-O 3.35Å; R290-E561 VanDerWaalsContact NE-O 3.15Å; R290-G565 PolarHBondContact NH2-O 3.22Å
291	F	92	Very high	91.7	Very high	24 Å²	24	70.8 Å²	70.8	11%	0.105	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.1	5.3	-171.6	-57.6	-64.2	0	0	0	113.2	V284 D288 L300 E561 S566 D568	V284-F291 HydrophobicContact CG1-CB 3.84Å; V284-F291 HydrophobicContact CG2-CB 4.22Å; D288-F291 PolarHBondContact OD1-N 2.89Å; F291-L300 HydrophobicContact CB-CD2 4.16Å; F291-L300 HydrophobicContact CD1-CD2 3.51Å; F291-L300 HydrophobicContact CD2-CD1 4.49Å; F291-L300 HydrophobicContact CD2-CD2 4.04Å; F291-L300 HydrophobicContact CE1-CD2 3.79Å; F291-L300 HydrophobicContact CE2-CD2 4.3Å; F291-L300 HydrophobicContact CG-CD2 3.64Å; F291-L300 HydrophobicContact CZ-CD2 4.18Å; F291-E561 WeakPolarHBondContact CZ-O 3.02Å; F291-S566 VanDerWaalsContact CE1-O 3.29Å; F291-S566 WeakPolarHBondContact CE1-O 3.33Å; F291-D568 HydrophobicContact CE2-CB 4.03Å; F291-D568 HydrophobicContact CZ-CB 4.41Å
292	G	90.4	Very high	91.7	Very high	29 Å²	29	70.1 Å²	70.1	30%	0.299	36%	0.364	S	S	.	.			trans	-62.3	153.5	170.5	0	0	0	0	0	110.4	N286 D288	N286-G292 WeakPolarHBondContact O-CA 3.45Å; D288-G292 VanDerWaalsContact O-CA 3.26Å; D288-G292 WeakPolarHBondContact O-CA 3.03Å; D288-G292 PolarHBondContact O-N 3.05Å
293	C	89.4	Confident	91.6	Very high	44 Å²	44	71 Å²	71	30%	0.297	37%	0.37	S	S	.	.			trans	-138.6	142.8	-175.2	75.6	0	0	0	0	110.2	R295 C298	C293-R295 PolarHBondContact O-N 3.46Å; C293-R295 VanDerWaalsContact SG-C 3.57Å; C293-R295 PolarHBondContact SG-O 3Å; C293-C298 WeakPolarHBondContact CA-SG 3.48Å; C293-C298 HydrophobicContact CB-CB 3.9Å; C293-C298 WeakPolarHBondContact CB-SG 3.44Å; C293-C298 PolarHBondContact N-SG 3.19Å; C293-C298 PolarHBondContact O-SG 2.95Å; C293-C298 WeakPolarHBondContact SG-CA 3.42Å; C293-C298 WeakPolarHBondContact SG-CB 3.27Å; C293-C298 CovalentContact SG-SG 2.04Å; C293-C298 PolarHBondContact SG-SG 3.43Å
294	A	86.8	Confident	91.7	Very high	107 Å²	107	63.4 Å²	63.4	88%	0.884	34%	0.341	S	S	*	.	S	Bend	trans	-69.1	-21.7	-179.4	0	0	0	0	0	113.1
295	R	86.9	Confident	91.8	Very high	226 Å²	226	63.2 Å²	63.2	85%	0.853	34%	0.34	S	S	*	.	S	Bend	trans	-124.2	92.2	-179.8	-65.2	-176	-172.6	168.5	2.3	109.5	C293	C293-R295 PolarHBondContact O-N 3.46Å; C293-R295 VanDerWaalsContact SG-C 3.57Å; C293-R295 PolarHBondContact SG-O 3Å
296	P	87.4	Confident	91.9	Very high	72 Å²	72	60.2 Å²	60.2	47%	0.468	33%	0.326	S	S	.	.	S	Bend	trans	-60	156.9	176.9	-22.5	34.6	0	0	0	112.1	N286	N286-P296 VanDerWaalsContact CG-CG 3.48Å; N286-P296 WeakPolarHBondContact ND2-CG 3.32Å; N286-P296 VanDerWaalsContact OD1-CG 3.25Å; N286-P296 WeakPolarHBondContact OD1-CG 2.96Å
297	P	90.7	Very high	92.1	Very high	101 Å²	101	56.7 Å²	56.7	66%	0.656	31%	0.308	S	S	*	.	P	Polyproline II helix	cis	-77.8	139.3	5.2	30.9	-35	0	0	0	113.3	C272	C272-P297 HydrophobicContact CB-CB 4.31Å; C272-P297 HydrophobicContact CB-CG 3.91Å; C272-P297 PolarHBondContact SG-O 3.15Å; C272-P297 VanDerWaalsContact SG-O 3.37Å
298	C	93.4	Very high	92.3	Very high	6 Å²	6	50 Å²	50	4%	0.041	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	136.2	172.7	-44.2	0	0	0	0	109.8	V284 C293	V284-C298 HydrophobicContact CB-CB 4.05Å; V284-C298 HydrophobicContact CG1-CB 4.4Å; V284-C298 PolarHBondContact N-O 3.17Å; C293-C298 WeakPolarHBondContact CA-SG 3.48Å; C293-C298 HydrophobicContact CB-CB 3.9Å; C293-C298 WeakPolarHBondContact CB-SG 3.44Å; C293-C298 PolarHBondContact N-SG 3.19Å; C293-C298 PolarHBondContact O-SG 2.95Å; C293-C298 WeakPolarHBondContact SG-CA 3.42Å; C293-C298 WeakPolarHBondContact SG-CB 3.27Å; C293-C298 CovalentContact SG-SG 2.04Å; C293-C298 PolarHBondContact SG-SG 3.43Å
299	C	94.4	Very high	92.4	Very high	23 Å²	23	51.6 Å²	51.6	16%	0.155	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	163.1	178	71.3	0	0	0	0	112.7	C272 P281 I282	C272-C299 WeakPolarHBondContact CA-SG 3.28Å; C272-C299 HydrophobicContact CB-CB 3.72Å; C272-C299 WeakPolarHBondContact CB-SG 3.32Å; C272-C299 WeakPolarHBondContact SG-CB 3.48Å; C272-C299 PolarHBondContact SG-N 3.48Å; C272-C299 VanDerWaalsContact SG-N 3.42Å; C272-C299 CovalentContact SG-SG 2.03Å; C272-C299 PolarHBondContact SG-SG 3.11Å; P281-C299 HydrophobicContact CB-CB 4.1Å; I282-C299 CarbonylContact O-C 3.56Å; I282-C299 WeakPolarHBondContact O-CA 3.23Å; I282-C299 VanDerWaalsContact O-CB 3.24Å; I282-C299 WeakPolarHBondContact O-CB 3.1Å
300	L	93.8	Very high	92.7	Very high	15 Å²	15	49 Å²	49	8%	0.079	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	134.6	157.9	-54.7	168.9	0	0	0	108.8	I282 V284 F291 D568	I282-L300 HydrophobicContact CB-CB 4.12Å; I282-L300 HydrophobicContact CD1-CB 4.37Å; I282-L300 HydrophobicContact CD1-CD1 4.45Å; I282-L300 PolarHBondContact N-O 2.77Å; I282-L300 PolarHBondContact O-N 3.34Å; V284-L300 HydrophobicContact CG2-CG 4.02Å; F291-L300 HydrophobicContact CB-CD2 4.16Å; F291-L300 HydrophobicContact CD1-CD2 3.51Å; F291-L300 HydrophobicContact CD2-CD1 4.49Å; F291-L300 HydrophobicContact CD2-CD2 4.04Å; F291-L300 HydrophobicContact CE1-CD2 3.79Å; F291-L300 HydrophobicContact CE2-CD2 4.3Å; F291-L300 HydrophobicContact CG-CD2 3.64Å; F291-L300 HydrophobicContact CZ-CD2 4.18Å; L300-D568 HydrophobicContact CD1-CB 3.65Å
301	F	93.5	Very high	92.9	Very high	123 Å²	123	45.8 Å²	45.8	54%	0.539	28%	0.275	S	S	.	.			trans	-67.8	137	177.2	-56.5	-32.3	0	0	0	110.7	C269 G270	C269-F301 WeakPolarHBondContact O-CB 3.23Å; C269-F301 WeakPolarHBondContact O-CG 3.13Å; G270-F301 VanDerWaalsContact C-CZ 3.47Å; G270-F301 VanDerWaalsContact O-CZ 3.3Å; G270-F301 WeakPolarHBondContact O-CZ 3.44Å
302	F	94.1	Very high	92.9	Very high	7 Å²	7	45.9 Å²	45.9	3%	0.031	28%	0.282	C	S	.	.			trans	-146	122.3	179.6	-179.7	-80.4	0	0	0	110.1	F280 I282 R304 T572 Q575 R576 D579	F280-F302 HydrophobicContact CB-CD1 4.03Å; F280-F302 HydrophobicContact CB-CE1 4.46Å; F280-F302 PolarHBondContact N-O 2.85Å; F280-F302 WeakPolarHBondContact O-CB 3.43Å; F280-F302 WeakPolarHBondContact O-CD1 3.21Å; I282-F302 HydrophobicContact CD1-CD2 4.36Å; I282-F302 HydrophobicContact CG1-CB 4.34Å; F302-R304 HydrophobicContact CE1-CG 4.47Å; F302-T572 HydrophobicContact CD2-CG2 4.15Å; F302-T572 HydrophobicContact CE2-CG2 3.97Å; F302-Q575 HydrophobicContact CD1-CG 3.95Å; F302-Q575 HydrophobicContact CD2-CB 3.9Å; F302-Q575 HydrophobicContact CD2-CG 3.72Å; F302-Q575 HydrophobicContact CE1-CG 4.03Å; F302-Q575 HydrophobicContact CE2-CB 3.72Å; F302-Q575 HydrophobicContact CE2-CG 3.79Å; F302-Q575 HydrophobicContact CG-CB 4.48Å; F302-Q575 HydrophobicContact CG-CG 3.8Å; F302-Q575 HydrophobicContact CZ-CB 4.18Å; F302-Q575 HydrophobicContact CZ-CG 3.95Å; F302-R576 HydrophobicContact CE2-CB 4.29Å; F302-R576 HydrophobicContact CZ-CB 4.22Å; F302-R576 VanDerWaalsContact CZ-NH1 3.26Å; F302-D579 HydrophobicContact CE1-CB 3.99Å; F302-D579 HydrophobicContact CZ-CB 4Å
303	T	94.8	Very high	92.7	Very high	20 Å²	20	51.8 Å²	51.8	12%	0.123	30%	0.304	C	S	.	.	B	Isolated β-bridge	trans	-100.9	130.5	174.7	-54.8	0	0	0	0	109.6	L264 C269 R576	L264-T303 HydrophobicContact CB-CG2 3.75Å; L264-T303 WeakPolarHBondContact O-CG2 3.43Å; C269-T303 WeakPolarHBondContact CB-OG1 3.06Å; C269-T303 PolarHBondContact SG-OG1 3.16Å; C269-T303 VanDerWaalsContact SG-OG1 3.34Å; T303-R576 PolarHBondContact O-NH1 3.12Å; T303-R576 PolarHBondContact O-NH2 2.81Å; T303-R576 VanDerWaalsContact O-NH2 3.16Å
304	R	95.9	Very high	92.6	Very high	9 Å²	9	55.2 Å²	55.2	3%	0.034	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-64.7	149.4	178.1	-65.8	-166.6	67.4	-175.8	3	111.6	G211 L264 R278 F280 F302 R317 D579	G211-R304 PolarHBondContact O-NH1 3.03Å; G211-R304 PolarHBondContact O-NH2 3.38Å; L264-R304 WeakPolarHBondContact CB-O 3.37Å; L264-R304 HydrophobicContact CD1-CB 4.42Å; L264-R304 PolarHBondContact N-O 3.11Å; R278-R304 WeakPolarHBondContact O-CB 3.48Å; R278-R304 WeakPolarHBondContact O-CG 3.2Å; R278-R304 PolarHBondContact O-N 3.44Å; F280-R304 HydrophobicContact CB-CG 3.98Å; F302-R304 HydrophobicContact CE1-CG 4.47Å; R304-R317 VanDerWaalsContact NH2-CD 3.33Å; R304-D579 WeakPolarHBondContact CA-OD2 3.25Å; R304-D579 WeakPolarHBondContact CB-OD1 3.4Å; R304-D579 WeakPolarHBondContact CG-OD1 3.42Å; R304-D579 IonicContact CZ-OD1 2.97Å; R304-D579 IonicContact NE-OD1 3.32Å; R304-D579 PolarHBondContact NE-OD1 3.41Å; R304-D579 PolarHBondContact NH2-O 3.27Å; R304-D579 VanDerWaalsContact NH2-O 3.07Å; R304-D579 IonicContact NH2-OD1 2.89Å; R304-D579 PolarHBondContact NH2-OD1 3.38Å
305	S	96.8	Very high	93	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	30%	0.304	C	S	.	.	B	Isolated β-bridge	trans	-65.6	145.2	174.3	-60.4	0	0	0	0	110.4	T261 S262 R317 R576 D579 H580	T261-S305 WeakPolarHBondContact CG2-OG 3.39Å; S262-S305 CarbonylContact O-C 3.41Å; S262-S305 WeakPolarHBondContact O-CA 3.23Å; S305-R317 PolarHBondContact O-NH2 3.15Å; S305-R576 VanDerWaalsContact N-NH1 3.16Å; S305-R576 WeakPolarHBondContact OG-CD 3.48Å; S305-R576 PolarHBondContact OG-NH1 3.48Å; S305-D579 PolarHBondContact N-OD2 3.17Å; S305-D579 PolarHBondContact OG-OD2 3.32Å; S305-H580 WeakPolarHBondContact CB-NE2 3.46Å; S305-H580 PolarHBondContact OG-NE2 3.22Å
306	S	95.2	Very high	93.4	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-64.8	134.1	178.5	-69.7	0	0	0	0	111.1	N152 S262 L263 L264	N152-S306 PolarHBondContact ND2-OG 2.94Å; N152-S306 VanDerWaalsContact OD1-CB 3.28Å; N152-S306 WeakPolarHBondContact OD1-CB 3.42Å; N152-S306 PolarHBondContact OD1-OG 2.81Å; S262-S306 PolarHBondContact O-N 3.15Å; L263-S306 PolarHBondContact O-OG 3.12Å; L264-S306 WeakPolarHBondContact CA-OG 3.36Å; L264-S306 WeakPolarHBondContact CD2-OG 3.41Å; L264-S306 PolarHBondContact N-OG 3.38Å; L264-S306 VanDerWaalsContact N-OG 3.13Å
307	P	95.6	Very high	93.9	Very high	14 Å²	14	41 Å²	41	9%	0.091	26%	0.257	C	S	.	.	B	Isolated β-bridge	trans	-76.1	154.9	172.2	34.1	-33.5	0	0	0	110.3	C157 Q158 C309 R317 E318	C157-P307 WeakPolarHBondContact CA-O 3.41Å; C157-P307 HydrophobicContact CB-CG 4Å; C157-P307 WeakPolarHBondContact CB-O 3.44Å; Q158-P307 PolarHBondContact N-O 3.15Å; P307-C309 PolarHBondContact O-N 3.37Å; P307-R317 HydrophobicContact CB-CG 3.82Å; P307-E318 CarbonylContact C-O 3.25Å; P307-E318 VanDerWaalsContact CA-O 3.25Å; P307-E318 WeakPolarHBondContact CA-O 3.3Å
308	L	95.5	Very high	94.2	Very high	20 Å²	20	38 Å²	38	11%	0.105	23%	0.234	C	C	.	.	B	Isolated β-bridge	trans	-61.9	131.2	159.5	-172.6	74.5	0	0	0	108.2	E160 A197 G310 T311 E318 V320	E160-L308 HydrophobicContact CB-CD1 3.86Å; E160-L308 HydrophobicContact CG-CD1 4.18Å; A197-L308 HydrophobicContact CB-CD2 4.25Å; L308-G310 PolarHBondContact O-N 3.36Å; L308-T311 HydrophobicContact CB-CG2 4.01Å; L308-T311 HydrophobicContact CD2-CG2 4.16Å; L308-T311 HydrophobicContact CG-CG2 4.47Å; L308-T311 PolarHBondContact O-N 2.99Å; L308-T311 PolarHBondContact O-OG1 3.23Å; L308-E318 PolarHBondContact N-O 3.32Å; L308-V320 HydrophobicContact CB-CG2 3.81Å; L308-V320 HydrophobicContact CD1-CG2 3.6Å; L308-V320 HydrophobicContact CG-CG2 4.36Å
309	C	94.9	Very high	94.4	Very high	43 Å²	43	37.7 Å²	37.7	29%	0.291	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	130.3	178.5	-65.4	0	0	0	0	110.9	C157 Q158 P307	C157-C309 HydrophobicContact CB-CB 3.96Å; C157-C309 WeakPolarHBondContact CB-SG 3.49Å; C157-C309 WeakPolarHBondContact SG-CA 3.24Å; C157-C309 WeakPolarHBondContact SG-CB 3.46Å; C157-C309 CovalentContact SG-SG 2.04Å; C157-C309 PolarHBondContact SG-SG 3.05Å; Q158-C309 PolarHBondContact O-N 3.39Å; Q158-C309 PolarHBondContact O-SG 3.49Å; Q158-C309 VanDerWaalsContact O-SG 3.36Å; P307-C309 PolarHBondContact O-N 3.37Å
310	G	93.5	Very high	94.5	Very high	57 Å²	57	36.6 Å²	36.6	59%	0.588	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	93.5	-6.8	-175.4	0	0	0	0	0	114.9	L308	L308-G310 PolarHBondContact O-N 3.36Å
311	T	95	Very high	94.6	Very high	21 Å²	21	36.1 Å²	36.1	13%	0.129	22%	0.222	C	C	.	.			trans	-105.7	159.8	175.2	73.4	0	0	0	0	112.2	L308 M313 S316 E318	L308-T311 HydrophobicContact CB-CG2 4.01Å; L308-T311 HydrophobicContact CD2-CG2 4.16Å; L308-T311 HydrophobicContact CG-CG2 4.47Å; L308-T311 PolarHBondContact O-N 2.99Å; L308-T311 PolarHBondContact O-OG1 3.23Å; T311-M313 VanDerWaalsContact C-N 3.34Å; T311-S316 WeakPolarHBondContact CB-O 3.16Å; T311-E318 HydrophobicContact CG2-CB 4.23Å; T311-E318 HydrophobicContact CG2-CG 4.42Å; T311-E318 PolarHBondContact OG1-N 2.93Å; T311-E318 VanDerWaalsContact OG1-N 3.15Å
312	G	92.2	Very high	94.7	Very high	26 Å²	26	30.8 Å²	30.8	27%	0.268	20%	0.199	S	C	.	.	S	Bend	trans	75.4	21.8	-179.5	0	0	0	0	0	114.3	S315	G312-S315 VanDerWaalsContact CA-O 3.28Å; G312-S315 WeakPolarHBondContact CA-O 3.36Å; G312-S315 PolarHBondContact N-O 3.35Å
313	M	87.2	Confident	94.8	Very high	154 Å²	154	31 Å²	31	76%	0.759	20%	0.2	S	C	*	.	S	Bend	trans	-125.2	-64.5	176.4	-66.3	178.9	66.7	0	0	110.7	T311 S315	T311-M313 VanDerWaalsContact C-N 3.34Å; M313-S315 PolarHBondContact N-O 2.87Å
314	S	87.1	Confident	95	Very high	115 Å²	115	30 Å²	30	80%	0.804	19%	0.194	S	C	*	.	S	Bend	trans	-110.5	-25.6	175.1	54	0	0	0	0	112.9
315	S	94.2	Very high	95.1	Very high	53 Å²	53	29.7 Å²	29.7	37%	0.371	19%	0.193	S	C	.	.	S	Bend	trans	-109.4	161.1	169.7	60.3	0	0	0	0	110.5	G312 M313	G312-S315 VanDerWaalsContact CA-O 3.28Å; G312-S315 WeakPolarHBondContact CA-O 3.36Å; G312-S315 PolarHBondContact N-O 3.35Å; M313-S315 PolarHBondContact N-O 2.87Å
316	S	96.3	Very high	95.2	Very high	40 Å²	40	29.7 Å²	29.7	28%	0.28	19%	0.194	S	C	.	.			trans	-58.6	144.5	177.4	-50.6	0	0	0	0	111.9	P204 G209 I210 T311 E318	P204-S316 VanDerWaalsContact CG-CB 3.45Å; G209-S316 PolarHBondContact O-OG 3.47Å; G209-S316 VanDerWaalsContact O-OG 3.08Å; I210-S316 CarbonylContact O-C 3.54Å; I210-S316 WeakPolarHBondContact O-CA 3.43Å; T311-S316 WeakPolarHBondContact CB-O 3.16Å; S316-E318 PolarHBondContact O-N 3.27Å
317	R	97.4	Very high	95.3	Very high	14 Å²	14	29.9 Å²	29.9	5%	0.053	20%	0.195	C	C	.	.			trans	-67.3	123.6	-178	-173.7	-170	-173.5	116.1	-10.7	110.7	R200 Y206 I210 G277 R304 S305 P307	R200-R317 PolarHBondContact NH2-O 3.3Å; Y206-R317 HydrophobicContact CE2-CB 3.85Å; Y206-R317 WeakPolarHBondContact CE2-O 3.45Å; Y206-R317 PolarHBondContact OH-O 3.1Å; I210-R317 PolarHBondContact O-N 2.96Å; G277-R317 PolarHBondContact O-NH1 3.25Å; G277-R317 PolarHBondContact O-NH2 3.48Å; R304-R317 VanDerWaalsContact NH2-CD 3.33Å; S305-R317 PolarHBondContact O-NH2 3.15Å; P307-R317 HydrophobicContact CB-CG 3.82Å
318	E	97.7	Very high	95.5	Very high	38 Å²	38	29.4 Å²	29.4	18%	0.178	19%	0.191	C	C	.	.			trans	-112	137.5	175.2	-64.9	-57.3	160.4	0	0	112	A197 R200 P307 L308 T311 S316	A197-E318 HydrophobicContact CB-CB 4.35Å; R200-E318 IonicContact CZ-OE1 3.39Å; R200-E318 IonicContact CZ-OE2 2.66Å; R200-E318 VanDerWaalsContact CZ-OE2 3.24Å; R200-E318 VanDerWaalsContact NE-CD 3.31Å; R200-E318 IonicContact NE-OE1 3.86Å; R200-E318 PolarHBondContact NE-OE1 3.09Å; R200-E318 IonicContact NE-OE2 3.85Å; R200-E318 PolarHBondContact NE-OE2 2.87Å; R200-E318 IonicContact NH2-OE1 3.25Å; R200-E318 IonicContact NH2-OE2 2.71Å; R200-E318 PolarHBondContact NH2-OE2 3.21Å; P307-E318 CarbonylContact C-O 3.25Å; P307-E318 VanDerWaalsContact CA-O 3.25Å; P307-E318 WeakPolarHBondContact CA-O 3.3Å; L308-E318 PolarHBondContact N-O 3.32Å; T311-E318 HydrophobicContact CG2-CB 4.23Å; T311-E318 HydrophobicContact CG2-CG 4.42Å; T311-E318 PolarHBondContact OG1-N 2.93Å; T311-E318 VanDerWaalsContact OG1-N 3.15Å; S316-E318 PolarHBondContact O-N 3.27Å
319	Q	97.3	Very high	95.6	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	19%	0.186	C	C	.	.	B	Isolated β-bridge	trans	-94.5	155.3	178.3	-65.3	78.3	27.6	0	0	111	A197 F198 R200 Y206 N471	A197-Q319 WeakPolarHBondContact CA-O 3.1Å; F198-Q319 HydrophobicContact CD2-CB 3.82Å; F198-Q319 VanDerWaalsContact CD2-O 3.29Å; F198-Q319 WeakPolarHBondContact CD2-O 3.41Å; F198-Q319 HydrophobicContact CE2-CB 4.03Å; F198-Q319 PolarHBondContact N-O 3.32Å; R200-Q319 VanDerWaalsContact NH2-OE1 3.11Å; Y206-Q319 PolarHBondContact OH-NE2 3.05Å; Q319-N471 PolarHBondContact OE1-ND2 3.44Å
320	V	96.2	Very high	95.8	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	139.2	-173.2	-178.1	0	0	0	0	111.8	Q158 T196 F198 S262 L308	Q158-V320 HydrophobicContact CB-CB 4.11Å; Q158-V320 HydrophobicContact CB-CG1 4.34Å; Q158-V320 HydrophobicContact CB-CG2 3.86Å; Q158-V320 HydrophobicContact CG-CB 3.98Å; Q158-V320 HydrophobicContact CG-CG1 3.66Å; Q158-V320 HydrophobicContact CG-CG2 4.09Å; T196-V320 WeakPolarHBondContact O-CG1 3.26Å; F198-V320 WeakPolarHBondContact CE2-O 3.39Å; S262-V320 PolarHBondContact N-O 2.99Å; L308-V320 HydrophobicContact CB-CG2 3.81Å; L308-V320 HydrophobicContact CD1-CG2 3.6Å; L308-V320 HydrophobicContact CG-CG2 4.36Å
321	N	96.8	Very high	95.9	Very high	4 Å²	4	23.8 Å²	23.8	2%	0.021	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	121.4	168.3	-168	11.7	0	0	0	110.3	G195 T196 F198 T258 S259 R260 N323	G195-N321 VanDerWaalsContact CA-O 3.3Å; G195-N321 WeakPolarHBondContact CA-O 2.79Å; G195-N321 PolarHBondContact N-O 2.91Å; T196-N321 PolarHBondContact N-O 2.83Å; T196-N321 PolarHBondContact O-N 3.43Å; F198-N321 HydrophobicContact CD1-CB 3.95Å; F198-N321 HydrophobicContact CE1-CB 3.43Å; F198-N321 VanDerWaalsContact CE1-CB 3.43Å; F198-N321 HydrophobicContact CZ-CB 3.79Å; T258-N321 PolarHBondContact O-ND2 2.62Å; S259-N321 VanDerWaalsContact CA-OD1 3.24Å; S259-N321 WeakPolarHBondContact CA-OD1 3.47Å; R260-N321 PolarHBondContact N-OD1 3.27Å; R260-N321 CarbonylContact O-C 3.45Å; R260-N321 WeakPolarHBondContact O-CA 3.4Å; R260-N321 PolarHBondContact O-OD1 3.45Å; N321-N323 VanDerWaalsContact C-N 3.35Å; N321-N323 PolarHBondContact ND2-O 3.46Å; N321-N323 VanDerWaalsContact ND2-O 3.08Å; N321-N323 PolarHBondContact OD1-N 2.72Å
322	E	95.2	Very high	96.1	Very high	11 Å²	11	22.9 Å²	22.9	5%	0.051	14%	0.139	C	C	.	.			trans	-82.4	-12.9	176.6	-57.1	-176	162.2	0	0	113.4	M148 A194 R260 S262	M148-E322 HydrophobicContact CE-CB 3.92Å; M148-E322 HydrophobicContact CE-CG 3.88Å; M148-E322 HydrophobicContact SD-CB 4.21Å; A194-E322 WeakPolarHBondContact CB-O 3.37Å; R260-E322 HydrophobicContact CB-CB 4.08Å; R260-E322 VanDerWaalsContact CD-OE2 3.31Å; R260-E322 WeakPolarHBondContact CD-OE2 3.41Å; R260-E322 HydrophobicContact CG-CB 4.17Å; R260-E322 IonicContact CZ-OE2 3.33Å; R260-E322 IonicContact NE-OE2 2.64Å; R260-E322 PolarHBondContact NE-OE2 2.61Å; R260-E322 IonicContact NH1-OE2 3.45Å; R260-E322 IonicContact NH2-OE2 2.66Å; R260-E322 PolarHBondContact NH2-OE2 2.97Å; R260-E322 PolarHBondContact O-N 2.93Å; S262-E322 VanDerWaalsContact CA-OE1 3.26Å; S262-E322 WeakPolarHBondContact CA-OE1 2.97Å; S262-E322 VanDerWaalsContact CB-OE1 3.26Å; S262-E322 WeakPolarHBondContact CB-OE1 3.36Å; S262-E322 VanDerWaalsContact OG-CD 3.24Å; S262-E322 WeakPolarHBondContact OG-CG 3.47Å; S262-E322 PolarHBondContact OG-OE1 2.58Å
323	N	96.2	Very high	96.3	Very high	11 Å²	11	21.6 Å²	21.6	6%	0.059	13%	0.127	C	C	.	.	S	Bend	trans	-107.3	162.5	-178.4	-69.2	12.3	0	0	0	111.6	A194 H256 R260 N321 S335 D383 R385	A194-N323 WeakPolarHBondContact CA-O 3.39Å; H256-N323 PolarHBondContact O-ND2 2.95Å; R260-N323 HydrophobicContact CB-CB 4.42Å; R260-N323 WeakPolarHBondContact CB-OD1 3.44Å; N321-N323 VanDerWaalsContact C-N 3.35Å; N321-N323 PolarHBondContact ND2-O 3.46Å; N321-N323 VanDerWaalsContact ND2-O 3.08Å; N321-N323 PolarHBondContact OD1-N 2.72Å; N323-S335 VanDerWaalsContact CA-OG 3.3Å; N323-S335 WeakPolarHBondContact CA-OG 3.07Å; N323-D383 PolarHBondContact ND2-OD1 3.3Å; N323-D383 VanDerWaalsContact ND2-OD1 3.07Å; N323-R385 PolarHBondContact ND2-NH2 3.35Å; N323-R385 VanDerWaalsContact ND2-NH2 3.19Å
324	T	97.9	Very high	96.8	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	9%	0.094	C	C	.	.			trans	-63.1	147.1	167.2	58	0	0	0	0	109.6	D180 A194 T258 F326 D328 S330 S335	D180-T324 WeakPolarHBondContact O-CG2 3.43Å; A194-T324 HydrophobicContact CB-CG2 4.32Å; T258-T324 CarbonylContact C-O 3.49Å; T258-T324 VanDerWaalsContact C-O 3.25Å; T258-T324 VanDerWaalsContact CA-O 3.25Å; T258-T324 WeakPolarHBondContact CA-O 3.45Å; T324-F326 VanDerWaalsContact C-N 3.33Å; T324-D328 PolarHBondContact OG1-OD1 3.1Å; T324-D328 PolarHBondContact OG1-OD2 3.38Å; T324-S330 WeakPolarHBondContact OG1-CB 3.14Å; T324-S330 PolarHBondContact OG1-OG 2.98Å; T324-S335 PolarHBondContact N-OG 3.07Å; T324-S335 VanDerWaalsContact N-OG 3.12Å
325	A	98.5	Very high	97.2	Very high	2 Å²	2	9.8 Å²	9.8	2%	0.017	6%	0.059	C	C	.	.	S	Bend	trans	-76.7	-23.4	178.7	0	0	0	0	0	112.9	G192 T258 P467 I469 L658	G192-A325 PolarHBondContact O-N 2.93Å; T258-A325 VanDerWaalsContact CG2-O 3.27Å; T258-A325 WeakPolarHBondContact CG2-O 3.37Å; A325-P467 WeakPolarHBondContact CB-O 3.12Å; A325-I469 HydrophobicContact CB-CD1 3.95Å; A325-I469 HydrophobicContact CB-CG1 3.82Å; A325-L658 HydrophobicContact CB-CD2 4.28Å; A325-L658 WeakPolarHBondContact O-CD2 3.26Å
326	F	98.7	Very high	97.2	Very high	1 Å²	1	7.6 Å²	7.6	0%	0.004	4%	0.044	C	C	.	.	S	Bend	trans	-75.5	153.2	-171.2	-50.6	-73.2	0	0	0	112.6	N184 G192 T324 D328 P467 D662	N184-F326 HydrophobicContact CB-CE1 4.06Å; N184-F326 HydrophobicContact CB-CE2 3.72Å; N184-F326 HydrophobicContact CB-CZ 3.33Å; N184-F326 VanDerWaalsContact CG-CE1 3.48Å; N184-F326 WeakPolarHBondContact ND2-CE1 3.26Å; N184-F326 VanDerWaalsContact ND2-CZ 3.28Å; N184-F326 WeakPolarHBondContact ND2-CZ 3.26Å; G192-F326 WeakPolarHBondContact O-CE2 3.29Å; T324-F326 VanDerWaalsContact C-N 3.33Å; F326-D328 VanDerWaalsContact C-N 3.27Å; F326-D328 HydrophobicContact CB-CB 4.1Å; F326-D328 PolarHBondContact O-N 3.08Å; F326-P467 HydrophobicContact CD1-CB 4.47Å; F326-P467 HydrophobicContact CE1-CB 3.81Å; F326-P467 HydrophobicContact CE1-CG 3.54Å; F326-P467 HydrophobicContact CZ-CG 3.83Å; F326-D662 HydrophobicContact CD1-CB 3.88Å; F326-D662 HydrophobicContact CE1-CB 4.16Å
327	L	98.8	Very high	97.1	Very high	4 Å²	4	6.9 Å²	6.9	2%	0.021	4%	0.037	C	C	.	.	S	Bend	trans	-79.3	80.2	162.9	-64.7	171.3	0	0	0	108.7	I254 D257 T258 I434 Q435 T438 Y439 F655	I254-L327 HydrophobicContact CB-CD2 3.92Å; I254-L327 HydrophobicContact CG2-CD2 4.3Å; D257-L327 WeakPolarHBondContact OD2-CA 3.5Å; T258-L327 HydrophobicContact CG2-CD2 3.58Å; T258-L327 HydrophobicContact CG2-CG 4.16Å; L327-I434 HydrophobicContact CB-CG2 4.27Å; L327-I434 HydrophobicContact CD2-CG2 4.38Å; L327-Q435 HydrophobicContact CB-CG 3.9Å; L327-Q435 WeakPolarHBondContact O-CG 3.41Å; L327-Q435 PolarHBondContact O-NE2 3.25Å; L327-T438 HydrophobicContact CD1-CG2 3.79Å; L327-Y439 HydrophobicContact CD1-CD2 4.41Å; L327-Y439 HydrophobicContact CD1-CE2 3.7Å; L327-F655 HydrophobicContact CD1-CE1 4.23Å
328	D	98.7	Very high	96.9	Very high	3 Å²	3	8.3 Å²	8.3	2%	0.016	5%	0.048	C	C	.	.	S	Bend	trans	-122	6	-173.3	65.5	9.4	0	0	0	113.6	D257 T324 F326 S330	D257-D328 PolarHBondContact OD2-N 2.88Å; T324-D328 PolarHBondContact OG1-OD1 3.1Å; T324-D328 PolarHBondContact OG1-OD2 3.38Å; F326-D328 VanDerWaalsContact C-N 3.27Å; F326-D328 HydrophobicContact CB-CB 4.1Å; F326-D328 PolarHBondContact O-N 3.08Å; D328-S330 VanDerWaalsContact C-N 3.33Å; D328-S330 VanDerWaalsContact OD1-CB 3.26Å; D328-S330 WeakPolarHBondContact OD1-CB 3.39Å; D328-S330 PolarHBondContact OD1-N 3.28Å
329	G	98.4	Very high	96.7	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	4%	0.044	C	C	.	.	S	Bend	trans	74.4	19.5	-177.6	0	0	0	0	0	113.6	D257 A331 V332 Y333	D257-G329 WeakPolarHBondContact OD1-CA 3.35Å; D257-G329 PolarHBondContact OD1-N 2.97Å; D257-G329 PolarHBondContact OD2-N 2.73Å; G329-A331 PolarHBondContact O-N 3.06Å; G329-A331 VanDerWaalsContact O-N 3.14Å; G329-V332 CarbonylContact O-C 3.58Å; G329-V332 WeakPolarHBondContact O-CA 3.24Å; G329-V332 WeakPolarHBondContact O-CB 3.41Å; G329-V332 PolarHBondContact O-N 3.35Å; G329-Y333 WeakPolarHBondContact O-CD2 3.45Å; G329-Y333 PolarHBondContact O-N 3.01Å
330	S	98.1	Very high	96.6	Very high	3 Å²	3	7.4 Å²	7.4	2%	0.021	4%	0.044	C	C	.	.	H	α-helix	trans	-51.2	-27.5	167.9	81.3	0	0	0	0	113.4	D257 T324 D328 V332 Y333 S334 S335	D257-S330 PolarHBondContact O-OG 3.31Å; D257-S330 WeakPolarHBondContact OD1-CA 3.19Å; D257-S330 PolarHBondContact OD1-N 3.07Å; D257-S330 PolarHBondContact OD1-OG 2.86Å; T324-S330 WeakPolarHBondContact OG1-CB 3.14Å; T324-S330 PolarHBondContact OG1-OG 2.98Å; D328-S330 VanDerWaalsContact C-N 3.33Å; D328-S330 VanDerWaalsContact OD1-CB 3.26Å; D328-S330 WeakPolarHBondContact OD1-CB 3.39Å; D328-S330 PolarHBondContact OD1-N 3.28Å; S330-V332 PolarHBondContact O-N 2.95Å; S330-V332 VanDerWaalsContact O-N 3.14Å; S330-Y333 PolarHBondContact O-N 3.49Å; S330-S334 CarbonylContact O-C 3.49Å; S330-S334 WeakPolarHBondContact O-CA 3.38Å; S330-S334 PolarHBondContact O-N 2.69Å; S330-S335 WeakPolarHBondContact CB-OG 3.44Å; S330-S335 PolarHBondContact OG-OG 2.81Å
331	A	97	Very high	96.5	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-57.9	-26.1	169.1	0	0	0	0	0	113.4	F253 D257 G329 D383 H396	F253-A331 HydrophobicContact CD2-CB 4.3Å; F253-A331 HydrophobicContact CE2-CB 3.75Å; F253-A331 HydrophobicContact CZ-CB 4.05Å; D257-A331 HydrophobicContact CB-CB 3.99Å; D257-A331 PolarHBondContact OD1-N 3.09Å; G329-A331 PolarHBondContact O-N 3.06Å; G329-A331 VanDerWaalsContact O-N 3.14Å; A331-D383 PolarHBondContact O-N 3.21Å; A331-H396 PolarHBondContact O-CE1 3.3Å; A331-H396 PolarHBondContact O-ND1 2.9Å
332	V	97.7	Very high	96.4	Very high	1 Å²	1	16 Å²	16	1%	0.006	8%	0.083	C	C	.	.	H	α-helix	trans	-98.2	-43.8	176.5	-177.8	0	0	0	0	111	F253 G329 S330 M351 G382 F399 I400	F253-V332 HydrophobicContact CE2-CG2 4.26Å; F253-V332 HydrophobicContact CZ-CG2 4.03Å; G329-V332 CarbonylContact O-C 3.58Å; G329-V332 WeakPolarHBondContact O-CA 3.24Å; G329-V332 WeakPolarHBondContact O-CB 3.41Å; G329-V332 PolarHBondContact O-N 3.35Å; S330-V332 PolarHBondContact O-N 2.95Å; S330-V332 VanDerWaalsContact O-N 3.14Å; V332-M351 HydrophobicContact CG1-CE 4.2Å; V332-M351 VanDerWaalsContact O-CE 3.24Å; V332-M351 WeakPolarHBondContact O-CE 3.02Å; V332-G382 PolarHBondContact O-N 3.22Å; V332-F399 HydrophobicContact CG2-CB 3.69Å; V332-F399 HydrophobicContact CG2-CG 4.43Å; V332-I400 HydrophobicContact CG1-CG1 3.99Å
333	Y	97.5	Very high	96.4	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-99.1	-6	-168.8	-55.7	-63.5	0	0	0	115.4	G329 S330 S340 M351 H403 F423 R427 I430	G329-Y333 WeakPolarHBondContact O-CD2 3.45Å; G329-Y333 PolarHBondContact O-N 3.01Å; S330-Y333 PolarHBondContact O-N 3.49Å; Y333-S340 VanDerWaalsContact O-CA 3.23Å; Y333-S340 WeakPolarHBondContact O-CA 3.2Å; Y333-S340 WeakPolarHBondContact O-CB 3.27Å; Y333-S340 PolarHBondContact O-OG 3.13Å; Y333-M351 HydrophobicContact CD1-CE 4.07Å; Y333-M351 HydrophobicContact CD1-SD 3.66Å; Y333-M351 HydrophobicContact CE1-CE 4.45Å; Y333-M351 HydrophobicContact CE1-CG 4.21Å; Y333-M351 HydrophobicContact CE1-SD 3.71Å; Y333-H403 AromaticContact CE1-CE1 3.67Å; Y333-H403 AromaticContact CE1-ND1 3.34Å; Y333-H403 VanDerWaalsContact CE1-ND1 3.34Å; Y333-H403 WeakPolarHBondContact CE1-ND1 3.36Å; Y333-H403 AromaticContact CZ-ND1 3.51Å; Y333-H403 PolarHBondContact OH-ND1 3.46Å; Y333-F423 HydrophobicContact CD1-CE2 4.06Å; Y333-F423 HydrophobicContact CD1-CZ 4.12Å; Y333-F423 HydrophobicContact CE1-CE2 4.25Å; Y333-R427 HydrophobicContact CD1-CG 4.49Å; Y333-R427 HydrophobicContact CD2-CB 4.42Å; Y333-R427 HydrophobicContact CD2-CG 3.7Å; Y333-R427 HydrophobicContact CE1-CB 4.15Å; Y333-R427 HydrophobicContact CE1-CG 4.43Å; Y333-R427 HydrophobicContact CE2-CB 4.01Å; Y333-R427 HydrophobicContact CE2-CG 3.64Å; Y333-R427 HydrophobicContact CG-CG 4.17Å; Y333-I430 HydrophobicContact CE2-CB 4.33Å; Y333-I430 HydrophobicContact CE2-CG2 3.96Å; Y333-I430 VanDerWaalsContact OH-CB 3.25Å; Y333-I430 WeakPolarHBondContact OH-CB 3.44Å; Y333-I430 VanDerWaalsContact OH-CG1 3.31Å; Y333-I430 WeakPolarHBondContact OH-CG1 3.46Å; Y333-I430 WeakPolarHBondContact OH-CG2 3.44Å
334	S	96.7	Very high	96.4	Very high	9 Å²	9	15.7 Å²	15.7	6%	0.063	8%	0.081	C	C	.	.			trans	70	154.2	-166	-161.4	0	0	0	0	114.2	S330 S336 D339 G382	S330-S334 CarbonylContact O-C 3.49Å; S330-S334 WeakPolarHBondContact O-CA 3.38Å; S330-S334 PolarHBondContact O-N 2.69Å; S334-S336 PolarHBondContact O-N 3.34Å; S334-S336 PolarHBondContact OG-N 3.14Å; S334-D339 WeakPolarHBondContact OG-CB 3.25Å; S334-G382 WeakPolarHBondContact CA-O 3.38Å; S334-G382 VanDerWaalsContact N-CA 3.32Å; S334-G382 PolarHBondContact OG-O 3Å
335	S	96.2	Very high	96.3	Very high	12 Å²	12	18.6 Å²	18.6	8%	0.084	10%	0.095	C	C	.	.	S	Bend	trans	-87	15	169.5	-52.8	0	0	0	0	112.8	M179 D180 N323 T324 S330	M179-S335 CarbonylContact O-C 3.36Å; M179-S335 WeakPolarHBondContact O-CA 3.38Å; D180-S335 VanDerWaalsContact CA-O 3.31Å; D180-S335 WeakPolarHBondContact CA-O 3.38Å; D180-S335 VanDerWaalsContact CB-O 3.31Å; D180-S335 WeakPolarHBondContact CB-O 3.22Å; N323-S335 VanDerWaalsContact CA-OG 3.3Å; N323-S335 WeakPolarHBondContact CA-OG 3.07Å; T324-S335 PolarHBondContact N-OG 3.07Å; T324-S335 VanDerWaalsContact N-OG 3.12Å; S330-S335 WeakPolarHBondContact CB-OG 3.44Å; S330-S335 PolarHBondContact OG-OG 2.81Å
336	S	94.3	Very high	96	Very high	7 Å²	7	22.7 Å²	22.7	5%	0.049	12%	0.121	C	C	.	.	S	Bend	trans	-134.4	131	-177.1	175.9	0	0	0	0	111.3	T143 S144 S334 P338 D339 S340	T143-S336 WeakPolarHBondContact O-CB 3.44Å; T143-S336 PolarHBondContact O-OG 3.39Å; S144-S336 VanDerWaalsContact CA-OG 3.3Å; S144-S336 WeakPolarHBondContact CA-OG 3.45Å; S334-S336 PolarHBondContact O-N 3.34Å; S334-S336 PolarHBondContact OG-N 3.14Å; S336-P338 WeakPolarHBondContact OG-CD 3.25Å; S336-D339 PolarHBondContact O-N 2.95Å; S336-S340 WeakPolarHBondContact O-CB 3.46Å; S336-S340 PolarHBondContact O-N 2.93Å
337	L	93.3	Very high	95.8	Very high	25 Å²	25	30.8 Å²	30.8	13%	0.131	16%	0.156	C	C	.	.	H	α-helix	trans	-60.2	-49.5	178.9	179	63.9	0	0	0	112.5	E135 A137 L142 M179 D339 S340 L341	E135-L337 HydrophobicContact CB-CD2 4.47Å; A137-L337 HydrophobicContact CB-CD2 4.11Å; L142-L337 HydrophobicContact CD1-CD2 4.07Å; L142-L337 HydrophobicContact CD2-CB 4.1Å; L142-L337 HydrophobicContact CD2-CD2 3.97Å; M179-L337 HydrophobicContact CB-CB 4.09Å; M179-L337 HydrophobicContact CB-CD1 4.42Å; M179-L337 HydrophobicContact CG-CB 4.3Å; M179-L337 HydrophobicContact CG-CD1 3.72Å; L337-D339 VanDerWaalsContact C-N 3.33Å; L337-D339 PolarHBondContact O-N 3.07Å; L337-S340 PolarHBondContact O-N 2.84Å; L337-L341 HydrophobicContact CD1-CD1 4.43Å; L337-L341 HydrophobicContact CD1-CG 4.23Å; L337-L341 HydrophobicContact CG-CD1 4.34Å; L337-L341 WeakPolarHBondContact O-CG 3.46Å; L337-L341 PolarHBondContact O-N 2.71Å
338	P	93.4	Very high	95.7	Very high	44 Å²	44	32.7 Å²	32.7	29%	0.286	17%	0.168	S	C	.	.	H	α-helix	trans	-52.3	-44.6	173.2	-30	32.9	0	0	0	114.9	L142 S336 R342	L142-P338 HydrophobicContact CB-CG 3.98Å; S336-P338 WeakPolarHBondContact OG-CD 3.25Å; P338-R342 PolarHBondContact O-N 2.02Å
339	D	94.6	Very high	95.5	Very high	16 Å²	16	32.6 Å²	32.6	9%	0.086	17%	0.167	C	C	.	.	H	α-helix	trans	-71.1	-39.9	-179.9	-73.4	-45.2	0	0	0	111.6	A145 S334 S336 L337 L341 R342 L343	A145-D339 WeakPolarHBondContact CB-OD2 3.38Å; A145-D339 PolarHBondContact N-OD2 3.23Å; S334-D339 WeakPolarHBondContact OG-CB 3.25Å; S336-D339 PolarHBondContact O-N 2.95Å; L337-D339 VanDerWaalsContact C-N 3.33Å; L337-D339 PolarHBondContact O-N 3.07Å; D339-L341 VanDerWaalsContact C-N 3.33Å; D339-L341 PolarHBondContact O-N 2.9Å; D339-R342 WeakPolarHBondContact O-CB 3.32Å; D339-R342 PolarHBondContact O-N 2.8Å; D339-R342 VanDerWaalsContact O-N 3.11Å; D339-R342 IonicContact OD1-CZ 3.8Å; D339-R342 IonicContact OD1-NE 3.91Å; D339-R342 IonicContact OD1-NH2 3.22Å; D339-R342 PolarHBondContact OD1-NH2 3.01Å; D339-L343 WeakPolarHBondContact O-CG 3.49Å; D339-L343 PolarHBondContact O-N 3.45Å; D339-L343 VanDerWaalsContact O-N 3.13Å
340	S	95.1	Very high	95.5	Very high	2 Å²	2	33.1 Å²	33.1	1%	0.014	17%	0.171	C	C	.	.	H	α-helix	trans	-58.3	-43.8	174.9	-163.7	0	0	0	0	112.4	M179 Y333 S336 L337 R342 L343 K344	M179-S340 WeakPolarHBondContact CE-OG 3.41Å; M179-S340 PolarHBondContact SD-OG 3.13Å; M179-S340 VanDerWaalsContact SD-OG 3.33Å; Y333-S340 VanDerWaalsContact O-CA 3.23Å; Y333-S340 WeakPolarHBondContact O-CA 3.2Å; Y333-S340 WeakPolarHBondContact O-CB 3.27Å; Y333-S340 PolarHBondContact O-OG 3.13Å; S336-S340 WeakPolarHBondContact O-CB 3.46Å; S336-S340 PolarHBondContact O-N 2.93Å; L337-S340 PolarHBondContact O-N 2.84Å; S340-R342 VanDerWaalsContact C-N 3.27Å; S340-R342 PolarHBondContact O-N 3.32Å; S340-L343 PolarHBondContact O-N 3.08Å; S340-K344 PolarHBondContact O-N 2.99Å; S340-K344 VanDerWaalsContact O-N 3.17Å
341	L	93.6	Very high	95.5	Very high	94 Å²	94	33.2 Å²	33.2	49%	0.492	17%	0.171	S	C	.	.	H	α-helix	trans	-61.6	-35	176.6	-69.5	174.3	0	0	0	112.4	L337 D339	L337-L341 HydrophobicContact CD1-CD1 4.43Å; L337-L341 HydrophobicContact CD1-CG 4.23Å; L337-L341 HydrophobicContact CG-CD1 4.34Å; L337-L341 WeakPolarHBondContact O-CG 3.46Å; L337-L341 PolarHBondContact O-N 2.71Å; D339-L341 VanDerWaalsContact C-N 3.33Å; D339-L341 PolarHBondContact O-N 2.9Å
342	R	94	Very high	95.5	Very high	91 Å²	91	38.7 Å²	38.7	34%	0.343	19%	0.192	S	C	.	.	H	α-helix	trans	-70.9	-32.8	178.1	-179.5	177.9	49.2	59.6	-5	112.8	P338 D339 S340 R352 D380	P338-R342 PolarHBondContact O-N 2.02Å; D339-R342 WeakPolarHBondContact O-CB 3.32Å; D339-R342 PolarHBondContact O-N 2.8Å; D339-R342 VanDerWaalsContact O-N 3.11Å; D339-R342 IonicContact OD1-CZ 3.8Å; D339-R342 IonicContact OD1-NE 3.91Å; D339-R342 IonicContact OD1-NH2 3.22Å; D339-R342 PolarHBondContact OD1-NH2 3.01Å; S340-R342 VanDerWaalsContact C-N 3.27Å; S340-R342 PolarHBondContact O-N 3.32Å; R342-R352 WeakPolarHBondContact O-CD 3.36Å; R342-R352 PolarHBondContact O-NH1 3.34Å; R342-D380 IonicContact CZ-OD1 3.86Å; R342-D380 IonicContact CZ-OD2 2.64Å; R342-D380 IonicContact NH1-OD1 2.78Å; R342-D380 PolarHBondContact NH1-OD1 3.32Å; R342-D380 IonicContact NH1-OD2 3.38Å; R342-D380 PolarHBondContact NH1-OD2 3.07Å; R342-D380 IonicContact NH2-OD1 3.82Å
343	L	95.8	Very high	95.4	Very high	3 Å²	3	43.6 Å²	43.6	2%	0.016	21%	0.213	C	C	.	.	H	α-helix	trans	-80.9	-21.7	-179.4	-65.5	169.7	0	0	0	113.5	D339 S340 M351 R352 D380	D339-L343 WeakPolarHBondContact O-CG 3.49Å; D339-L343 PolarHBondContact O-N 3.45Å; D339-L343 VanDerWaalsContact O-N 3.13Å; S340-L343 PolarHBondContact O-N 3.08Å; L343-M351 HydrophobicContact CB-CE 3.73Å; L343-R352 WeakPolarHBondContact O-CB 3.47Å; L343-R352 WeakPolarHBondContact O-CG 3.35Å; L343-R352 PolarHBondContact O-N 3.43Å; L343-D380 WeakPolarHBondContact CD2-O 3.45Å
344	K	95.3	Very high	95.3	Very high	12 Å²	12	44.6 Å²	44.6	5%	0.052	22%	0.219	C	C	.	.	B	Isolated β-bridge	trans	-81.5	143.7	178.8	-179.4	174.4	61.7	-177.9	0	112.3	S340 P346 E420 F423	S340-K344 PolarHBondContact O-N 2.99Å; S340-K344 VanDerWaalsContact O-N 3.17Å; K344-P346 VanDerWaalsContact O-CD 3.29Å; K344-P346 WeakPolarHBondContact O-CD 3.45Å; K344-E420 IonicContact NZ-OE1 2.69Å; K344-E420 PolarHBondContact NZ-OE1 3.41Å; K344-E420 IonicContact NZ-OE2 3.13Å; K344-E420 PolarHBondContact NZ-OE2 2.91Å; K344-F423 HydrophobicContact CB-CD2 4.48Å; K344-F423 HydrophobicContact CB-CE2 4.21Å; K344-F423 HydrophobicContact CD-CB 4.04Å; K344-F423 HydrophobicContact CD-CD1 3.73Å; K344-F423 HydrophobicContact CD-CD2 3.62Å; K344-F423 HydrophobicContact CD-CE1 4.02Å; K344-F423 HydrophobicContact CD-CE2 3.93Å; K344-F423 HydrophobicContact CD-CG 3.51Å; K344-F423 HydrophobicContact CD-CZ 4.13Å; K344-F423 HydrophobicContact CG-CD2 3.87Å; K344-F423 HydrophobicContact CG-CE2 4.09Å; K344-F423 HydrophobicContact CG-CG 4.25Å
345	E	96.2	Very high	95.2	Very high	62 Å²	62	50.1 Å²	50.1	29%	0.29	24%	0.242	S	C	.	.			trans	-89.1	102.5	163.6	173.8	50.2	-116.5	0	0	109.1	K347 V348 G349 T350 R352	E345-K347 PolarHBondContact O-N 3.25Å; E345-K347 VanDerWaalsContact O-N 3.12Å; E345-K347 WeakPolarHBondContact OE1-CB 3.4Å; E345-K347 PolarHBondContact OE1-N 2.75Å; E345-V348 HydrophobicContact CB-CG2 4.19Å; E345-V348 HydrophobicContact CG-CG2 3.56Å; E345-V348 PolarHBondContact O-N 2.63Å; E345-G349 PolarHBondContact O-N 3.37Å; E345-T350 PolarHBondContact N-O 3.24Å; E345-R352 HydrophobicContact CB-CG 4.15Å
346	P	92.3	Very high	95	Very high	87 Å²	87	51.2 Å²	51.2	57%	0.565	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-21.8	-168.1	25.8	-36.3	0	0	0	114.1	K344 P419	K344-P346 VanDerWaalsContact O-CD 3.29Å; K344-P346 WeakPolarHBondContact O-CD 3.45Å; P346-P419 WeakPolarHBondContact O-CB 3.3Å
347	K	94.7	Very high	94.9	Very high	171 Å²	171	55 Å²	55	74%	0.743	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-25	-175.4	-66.1	-178.8	-179.6	178.2	0	114.2	E345 P419	E345-K347 PolarHBondContact O-N 3.25Å; E345-K347 VanDerWaalsContact O-N 3.12Å; E345-K347 WeakPolarHBondContact OE1-CB 3.4Å; E345-K347 PolarHBondContact OE1-N 2.75Å; K347-P419 WeakPolarHBondContact O-CG 3.2Å
348	V	95.9	Very high	94.7	Very high	45 Å²	45	59.3 Å²	59.3	27%	0.273	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-127.5	-11.8	-175.2	-65.5	0	0	0	0	113.6	E345 T350 T407	E345-V348 HydrophobicContact CB-CG2 4.19Å; E345-V348 HydrophobicContact CG-CG2 3.56Å; E345-V348 PolarHBondContact O-N 2.63Å; V348-T350 VanDerWaalsContact C-N 3.3Å; V348-T350 HydrophobicContact CG2-CG2 3.91Å; V348-T350 VanDerWaalsContact CG2-OG1 3.28Å; V348-T350 WeakPolarHBondContact CG2-OG1 3.47Å; V348-T407 WeakPolarHBondContact O-CG2 3.32Å
349	G	95.5	Very high	94.6	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	28%	0.28	C	S	.	.	S	Bend	trans	82.9	4	177.6	0	0	0	0	0	114.2	E345 H403 P419 F423	E345-G349 PolarHBondContact O-N 3.37Å; G349-H403 PolarHBondContact O-NE2 2.86Å; G349-P419 WeakPolarHBondContact CA-O 3.24Å; G349-F423 WeakPolarHBondContact O-CA 3.2Å; G349-F423 WeakPolarHBondContact O-CB 3.45Å; G349-F423 WeakPolarHBondContact O-CD2 3.24Å
350	T	98.2	Very high	94.5	Very high	12 Å²	12	59.5 Å²	59.5	7%	0.074	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-78.1	164.3	174.8	60.5	0	0	0	0	111.1	E345 V348 N404 T407	E345-T350 PolarHBondContact N-O 3.24Å; V348-T350 VanDerWaalsContact C-N 3.3Å; V348-T350 HydrophobicContact CG2-CG2 3.91Å; V348-T350 VanDerWaalsContact CG2-OG1 3.28Å; V348-T350 WeakPolarHBondContact CG2-OG1 3.47Å; T350-N404 WeakPolarHBondContact CB-OD1 3.46Å; T350-N404 HydrophobicContact CG2-CB 4.42Å; T350-T407 HydrophobicContact CG2-CG2 3.6Å
351	M	98	Very high	94.4	Very high	5 Å²	5	59.6 Å²	59.6	3%	0.025	29%	0.288	C	S	.	.	B	Isolated β-bridge	trans	-72.2	143.5	161.1	-64.2	-60.7	-73.6	0	0	109.7	V332 Y333 L343 I400 H403 N404 F423	V332-M351 HydrophobicContact CG1-CE 4.2Å; V332-M351 VanDerWaalsContact O-CE 3.24Å; V332-M351 WeakPolarHBondContact O-CE 3.02Å; Y333-M351 HydrophobicContact CD1-CE 4.07Å; Y333-M351 HydrophobicContact CD1-SD 3.66Å; Y333-M351 HydrophobicContact CE1-CE 4.45Å; Y333-M351 HydrophobicContact CE1-CG 4.21Å; Y333-M351 HydrophobicContact CE1-SD 3.71Å; L343-M351 HydrophobicContact CB-CE 3.73Å; M351-I400 HydrophobicContact CB-CG2 4.12Å; M351-H403 HydrophobicContact CG-CB 4.21Å; M351-H403 PolarHBondContact N-CD2 3.38Å; M351-N404 PolarHBondContact N-OD1 3.42Å; M351-N404 PolarHBondContact O-ND2 3.28Å; M351-N404 VanDerWaalsContact O-ND2 3.07Å; M351-N404 PolarHBondContact O-OD1 2.91Å; M351-F423 HydrophobicContact SD-CE2 3.8Å
352	R	97.3	Very high	94.5	Very high	115 Å²	115	55.1 Å²	55.1	43%	0.434	27%	0.265	S	S	.	.	P	Polyproline II helix	trans	-63.2	151.4	171.6	-65.5	173.3	75.1	-174.5	1.5	109.5	R342 L343 E345 P363	R342-R352 WeakPolarHBondContact O-CD 3.36Å; R342-R352 PolarHBondContact O-NH1 3.34Å; L343-R352 WeakPolarHBondContact O-CB 3.47Å; L343-R352 WeakPolarHBondContact O-CG 3.35Å; L343-R352 PolarHBondContact O-N 3.43Å; E345-R352 HydrophobicContact CB-CG 4.15Å; R352-P363 VanDerWaalsContact C-CG 3.43Å; R352-P363 HydrophobicContact CB-CB 4.42Å; R352-P363 HydrophobicContact CB-CG 3.54Å; R352-P363 VanDerWaalsContact O-CD 3.29Å; R352-P363 WeakPolarHBondContact O-CD 3.06Å; R352-P363 VanDerWaalsContact O-CG 3.22Å; R352-P363 WeakPolarHBondContact O-CG 3.43Å
353	F	95.5	Very high	94.5	Very high	103 Å²	103	51.5 Å²	51.5	45%	0.452	25%	0.253	S	S	.	.			trans	-149.2	163.6	173.7	63.3	-87.7	0	0	0	109.7	V360 V361 N404	F353-V360 HydrophobicContact CB-CG1 4.2Å; F353-V360 HydrophobicContact CD2-CG1 3.77Å; F353-V360 HydrophobicContact CE2-CG1 4.44Å; F353-V360 HydrophobicContact CG-CG1 4.12Å; F353-V361 WeakPolarHBondContact CA-O 3.44Å; F353-V361 WeakPolarHBondContact CB-O 3.27Å; F353-N404 WeakPolarHBondContact CD1-ND2 3.42Å
354	T	95.3	Very high	94.3	Very high	21 Å²	21	52.3 Å²	52.3	13%	0.129	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	134.2	170	-62.3	0	0	0	0	109.2	F356 V361 P363 F364 D366	T354-F356 HydrophobicContact CG2-CB 4.16Å; T354-V361 PolarHBondContact N-O 2.56Å; T354-V361 WeakPolarHBondContact O-CG2 3.37Å; T354-V361 PolarHBondContact O-N 3.05Å; T354-P363 WeakPolarHBondContact OG1-CA 3.37Å; T354-F364 HydrophobicContact CG2-CD1 3.99Å; T354-F364 HydrophobicContact CG2-CE1 3.56Å; T354-F364 HydrophobicContact CG2-CZ 4.29Å; T354-F364 PolarHBondContact OG1-N 2.04Å; T354-F364 PolarHBondContact OG1-O 3.16Å; T354-D366 HydrophobicContact CG2-CB 4.37Å
355	F	94.1	Very high	94.1	Very high	125 Å²	125	56.4 Å²	56.4	55%	0.548	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	113.3	165.2	-177	-95.6	0	0	0	108.7	H359 V360	F355-H359 WeakPolarHBondContact CA-O 3.33Å; F355-V360 HydrophobicContact CD2-CG2 4.02Å
356	F	93.7	Very high	93.8	Very high	35 Å²	35	57 Å²	57	15%	0.154	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	131	-178.2	-173.7	-91	0	0	0	110.3	T354 N358 H359 F364 D366 C369 L532 F533	T354-F356 HydrophobicContact CG2-CB 4.16Å; F356-N358 VanDerWaalsContact C-N 3.32Å; F356-N358 PolarHBondContact O-N 3.13Å; F356-H359 PolarHBondContact N-O 2.87Å; F356-H359 WeakPolarHBondContact O-CB 3.42Å; F356-H359 PolarHBondContact O-N 3.16Å; F356-F364 HydrophobicContact CB-CE1 4Å; F356-F364 HydrophobicContact CB-CZ 3.88Å; F356-F364 HydrophobicContact CD1-CZ 4.17Å; F356-F364 AromaticContact CD2-CZ 3.92Å; F356-F364 HydrophobicContact CD2-CZ 3.92Å; F356-F364 HydrophobicContact CG-CE1 4.36Å; F356-F364 AromaticContact CG-CZ 3.73Å; F356-F364 HydrophobicContact CG-CZ 3.73Å; F356-D366 HydrophobicContact CD2-CB 3.92Å; F356-D366 HydrophobicContact CE2-CB 4.28Å; F356-C369 HydrophobicContact CE2-CB 4.19Å; F356-C369 HydrophobicContact CZ-CB 3.83Å; F356-L532 HydrophobicContact CD1-CB 4.03Å; F356-L532 HydrophobicContact CD1-CD1 4.13Å; F356-L532 HydrophobicContact CD1-CD2 4.19Å; F356-L532 HydrophobicContact CD1-CG 4.35Å; F356-L532 HydrophobicContact CE1-CB 4.12Å; F356-L532 HydrophobicContact CE1-CD1 4.28Å; F356-F533 HydrophobicContact CE1-CE1 4.1Å; F356-F533 HydrophobicContact CE1-CE2 4.22Å; F356-F533 AromaticContact CE1-CZ 3.71Å; F356-F533 HydrophobicContact CE1-CZ 3.71Å; F356-F533 HydrophobicContact CZ-CE1 4.39Å; F356-F533 AromaticContact CZ-CZ 3.9Å; F356-F533 HydrophobicContact CZ-CZ 3.9Å
357	N	90.6	Very high	93.8	Very high	86 Å²	86	60.8 Å²	60.8	46%	0.46	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.8	48.2	178.4	-162.6	32.9	0	0	0	113.8	H359 L532	N357-H359 PolarHBondContact O-CD2 3.25Å; N357-H359 PolarHBondContact O-N 2.8Å; N357-H359 PolarHBondContact O-NE2 2.89Å; N357-L532 PolarHBondContact ND2-O 3.05Å
358	N	90.3	Very high	93.5	Very high	116 Å²	116	53.2 Å²	53.2	62%	0.62	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.1	11.2	-176.3	-65.1	-17.7	0	0	0	116.6	F356 K694	F356-N358 VanDerWaalsContact C-N 3.32Å; F356-N358 PolarHBondContact O-N 3.13Å; N358-K694 PolarHBondContact O-NZ 3.21Å
359	H	91.2	Very high	93.2	Very high	24 Å²	24	52 Å²	52	11%	0.111	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	138.7	177	-56.6	-65.7	0	0	0	111.4	F355 F356 N357 V361 G535 G536	F355-H359 WeakPolarHBondContact CA-O 3.33Å; F356-H359 PolarHBondContact N-O 2.87Å; F356-H359 WeakPolarHBondContact O-CB 3.42Å; F356-H359 PolarHBondContact O-N 3.16Å; N357-H359 PolarHBondContact O-CD2 3.25Å; N357-H359 PolarHBondContact O-N 2.8Å; N357-H359 PolarHBondContact O-NE2 2.89Å; H359-V361 HydrophobicContact CB-CG1 4.03Å; H359-G535 PolarHBondContact CE1-O 2.87Å; H359-G536 WeakPolarHBondContact CE1-CA 3.48Å; H359-G536 PolarHBondContact CE1-N 2.84Å; H359-G536 VanDerWaalsContact CE1-N 3.28Å; H359-G536 WeakPolarHBondContact ND1-CA 3.14Å; H359-G536 PolarHBondContact NE2-N 3Å
360	V	92.9	Very high	92.9	Very high	40 Å²	40	58.8 Å²	58.8	24%	0.242	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	113.5	166.6	176.4	0	0	0	0	106.7	F353 F355 R401	F353-V360 HydrophobicContact CB-CG1 4.2Å; F353-V360 HydrophobicContact CD2-CG1 3.77Å; F353-V360 HydrophobicContact CE2-CG1 4.44Å; F353-V360 HydrophobicContact CG-CG1 4.12Å; F355-V360 HydrophobicContact CD2-CG2 4.02Å; V360-R401 PolarHBondContact O-NE 3.11Å; V360-R401 PolarHBondContact O-NH2 3.36Å
361	V	92.8	Very high	92.3	Very high	4 Å²	4	59 Å²	59	2%	0.024	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	165.6	-175.7	-66.7	0	0	0	0	109.9	F353 T354 H359 F364 F379 L532	F353-V361 WeakPolarHBondContact CA-O 3.44Å; F353-V361 WeakPolarHBondContact CB-O 3.27Å; T354-V361 PolarHBondContact N-O 2.56Å; T354-V361 WeakPolarHBondContact O-CG2 3.37Å; T354-V361 PolarHBondContact O-N 3.05Å; H359-V361 HydrophobicContact CB-CG1 4.03Å; V361-F364 HydrophobicContact CG2-CD1 4.07Å; V361-F364 HydrophobicContact CG2-CE1 3.67Å; V361-F379 HydrophobicContact CB-CE1 3.9Å; V361-F379 HydrophobicContact CB-CZ 4.26Å; V361-F379 HydrophobicContact CG2-CE1 3.84Å; V361-F379 HydrophobicContact CG2-CZ 4.49Å; V361-L532 HydrophobicContact CB-CD2 4.34Å; V361-L532 HydrophobicContact CG1-CD2 3.84Å; V361-L532 HydrophobicContact CG2-CD2 3.92Å
362	P	94.5	Very high	91.5	Very high	1 Å²	1	63 Å²	63	1%	0.006	32%	0.315	C	S	.	.	S	Bend	trans	-56.7	157.3	172.8	-23.8	35.9	0	0	0	111.7	F364 F379 I381 T397 I400	P362-F364 PolarHBondContact O-N 3.45Å; P362-F379 HydrophobicContact CB-CB 4.16Å; P362-F379 HydrophobicContact CB-CD1 4.27Å; P362-F379 HydrophobicContact CB-CG 4.35Å; P362-F379 WeakPolarHBondContact O-CD1 3.38Å; P362-I381 HydrophobicContact CB-CD1 3.78Å; P362-I381 HydrophobicContact CB-CG1 3.58Å; P362-I381 HydrophobicContact CG-CD1 3.72Å; P362-I381 HydrophobicContact CG-CG1 4.05Å; P362-T397 WeakPolarHBondContact CD-OG1 3.23Å; P362-I400 HydrophobicContact CB-CD1 3.91Å; P362-I400 HydrophobicContact CG-CD1 3.77Å
363	P	93.9	Very high	90.6	Very high	14 Å²	14	63.9 Å²	63.9	9%	0.091	33%	0.328	C	S	.	.			trans	-55.7	139.7	-178.3	-20.2	29.3	0	0	0	111.8	R352 T354 F379 D380	R352-P363 VanDerWaalsContact C-CG 3.43Å; R352-P363 HydrophobicContact CB-CB 4.42Å; R352-P363 HydrophobicContact CB-CG 3.54Å; R352-P363 VanDerWaalsContact O-CD 3.29Å; R352-P363 WeakPolarHBondContact O-CD 3.06Å; R352-P363 VanDerWaalsContact O-CG 3.22Å; R352-P363 WeakPolarHBondContact O-CG 3.43Å; T354-P363 WeakPolarHBondContact OG1-CA 3.37Å; P363-F379 CarbonylContact O-C 3.54Å; P363-F379 WeakPolarHBondContact O-CA 3.21Å; P363-D380 HydrophobicContact CB-CB 4.27Å; P363-D380 WeakPolarHBondContact CD-O 3.28Å; P363-D380 WeakPolarHBondContact O-CB 3.14Å; P363-D380 PolarHBondContact O-N 3.23Å
364	F	92.4	Very high	90.1	Very high	20 Å²	20	62.2 Å²	62.2	9%	0.088	32%	0.324	C	S	.	.			trans	-158.2	169.5	167.9	73.1	-73	0	0	0	109.5	T354 F356 V361 P362 D366 N378 F379 L532	T354-F364 HydrophobicContact CG2-CD1 3.99Å; T354-F364 HydrophobicContact CG2-CE1 3.56Å; T354-F364 HydrophobicContact CG2-CZ 4.29Å; T354-F364 PolarHBondContact OG1-N 2.04Å; T354-F364 PolarHBondContact OG1-O 3.16Å; F356-F364 HydrophobicContact CB-CE1 4Å; F356-F364 HydrophobicContact CB-CZ 3.88Å; F356-F364 HydrophobicContact CD1-CZ 4.17Å; F356-F364 AromaticContact CD2-CZ 3.92Å; F356-F364 HydrophobicContact CD2-CZ 3.92Å; F356-F364 HydrophobicContact CG-CE1 4.36Å; F356-F364 AromaticContact CG-CZ 3.73Å; F356-F364 HydrophobicContact CG-CZ 3.73Å; V361-F364 HydrophobicContact CG2-CD1 4.07Å; V361-F364 HydrophobicContact CG2-CE1 3.67Å; P362-F364 PolarHBondContact O-N 3.45Å; F364-D366 HydrophobicContact CE2-CB 4.31Å; F364-D366 HydrophobicContact CZ-CB 4.28Å; F364-D366 PolarHBondContact O-N 2.78Å; F364-D366 VanDerWaalsContact O-N 3.14Å; F364-N378 VanDerWaalsContact CB-O 3.26Å; F364-N378 WeakPolarHBondContact CB-O 3.04Å; F364-F379 HydrophobicContact CB-CD1 3.9Å; F364-F379 HydrophobicContact CB-CE1 4.41Å; F364-F379 AromaticContact CD1-CD1 3.82Å; F364-F379 HydrophobicContact CD1-CD1 3.82Å; F364-F379 AromaticContact CD1-CE1 3.58Å; F364-F379 HydrophobicContact CD1-CE1 3.58Å; F364-F379 HydrophobicContact CE1-CE1 4.03Å; F364-F379 HydrophobicContact CG-CD1 4.04Å; F364-F379 HydrophobicContact CG-CE1 4.05Å; F364-L532 HydrophobicContact CE1-CD1 4.23Å; F364-L532 HydrophobicContact CE1-CD2 4.36Å; F364-L532 HydrophobicContact CE2-CD1 3.88Å; F364-L532 HydrophobicContact CZ-CD1 3.61Å; F364-L532 HydrophobicContact CZ-CD2 4.4Å
365	N	91.5	Very high	89.8	Confident	98 Å²	98	62.3 Å²	62.3	52%	0.524	33%	0.325	S	S	.	.			trans	-78.7	92.9	174.8	-176.1	10.3	0	0	0	110.8	K367 A368	N365-K367 PolarHBondContact O-N 3.47Å; N365-K367 WeakPolarHBondContact OD1-CB 3.39Å; N365-K367 PolarHBondContact OD1-N 3.21Å; N365-A368 HydrophobicContact CB-CB 4.34Å; N365-A368 VanDerWaalsContact O-CB 3.25Å; N365-A368 WeakPolarHBondContact O-CB 3.43Å; N365-A368 PolarHBondContact O-N 2.75Å
366	D	89.5	Confident	89.3	Confident	74 Å²	74	57.5 Å²	57.5	40%	0.396	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-58.4	-30.2	178.6	62.8	-13.6	0	0	0	113.7	T354 F356 F364 A368 C369	T354-D366 HydrophobicContact CG2-CB 4.37Å; F356-D366 HydrophobicContact CD2-CB 3.92Å; F356-D366 HydrophobicContact CE2-CB 4.28Å; F364-D366 HydrophobicContact CE2-CB 4.31Å; F364-D366 HydrophobicContact CZ-CB 4.28Å; F364-D366 PolarHBondContact O-N 2.78Å; F364-D366 VanDerWaalsContact O-N 3.14Å; D366-A368 PolarHBondContact O-N 3.47Å; D366-A368 VanDerWaalsContact O-N 3.15Å; D366-C369 WeakPolarHBondContact O-CB 3.16Å; D366-C369 PolarHBondContact O-N 3.5Å
367	K	91.2	Very high	88.9	Confident	168 Å²	168	55.9 Å²	55.9	73%	0.73	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-65.5	-13.5	174	-56.8	-178.7	-178	178.2	0	113.5	N365	N365-K367 PolarHBondContact O-N 3.47Å; N365-K367 WeakPolarHBondContact OD1-CB 3.39Å; N365-K367 PolarHBondContact OD1-N 3.21Å
368	A	89.1	Confident	88.7	Confident	12 Å²	12	54.7 Å²	54.7	10%	0.099	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-83.9	3.5	173.5	0	0	0	0	0	112.9	N365 D366 N376	N365-A368 HydrophobicContact CB-CB 4.34Å; N365-A368 VanDerWaalsContact O-CB 3.25Å; N365-A368 WeakPolarHBondContact O-CB 3.43Å; N365-A368 PolarHBondContact O-N 2.75Å; D366-A368 PolarHBondContact O-N 3.47Å; D366-A368 VanDerWaalsContact O-N 3.15Å; A368-N376 HydrophobicContact CB-CB 3.98Å; A368-N376 PolarHBondContact O-N 3.12Å; A368-N376 VanDerWaalsContact O-N 3.17Å
369	C	90	Very high	88.8	Confident	18 Å²	18	49.9 Å²	49.9	12%	0.122	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	103	179.8	-66.3	0	0	0	0	112.5	F356 D366 C375	F356-C369 HydrophobicContact CE2-CB 4.19Å; F356-C369 HydrophobicContact CZ-CB 3.83Å; D366-C369 WeakPolarHBondContact O-CB 3.16Å; D366-C369 PolarHBondContact O-N 3.5Å; C369-C375 HydrophobicContact CB-CB 3.56Å; C369-C375 WeakPolarHBondContact CB-SG 2.97Å; C369-C375 WeakPolarHBondContact SG-CA 2.97Å; C369-C375 WeakPolarHBondContact SG-CB 3.21Å; C369-C375 CovalentContact SG-SG 2.03Å; C369-C375 PolarHBondContact SG-SG 3.14Å
370	F	88.2	Confident	88.8	Confident	143 Å²	143	51.2 Å²	51.2	63%	0.627	27%	0.274	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.3	-10.7	179.5	-55.3	-78.7	0	0	0	112.8	N374	F370-N374 HydrophobicContact CB-CB 4.47Å; F370-N374 PolarHBondContact N-O 3.3Å
371	G	86.4	Confident	88.8	Confident	18 Å²	18	49.9 Å²	49.9	19%	0.186	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	161.3	179.5	178.1	0	0	0	0	0	112.2	N373 N374 C375	G371-N373 VanDerWaalsContact C-N 3.25Å; G371-N373 PolarHBondContact O-N 2.88Å; G371-N374 PolarHBondContact N-O 3.06Å; G371-N374 CarbonylContact O-C 3.55Å; G371-N374 PolarHBondContact O-N 2.9Å; G371-C375 WeakPolarHBondContact O-CB 3.36Å; G371-C375 PolarHBondContact O-N 3.37Å
372	P	80.4	Confident	88.8	Confident	88 Å²	88	50.2 Å²	50.2	57%	0.571	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-26.6	-173.1	23.6	-34.5	0	0	0	114.6	F533	P372-F533 HydrophobicContact CB-CB 3.96Å; P372-F533 HydrophobicContact CB-CD1 3.94Å; P372-F533 HydrophobicContact CB-CD2 4.19Å; P372-F533 HydrophobicContact CB-CG 3.76Å
373	N	79.9	Confident	88.7	Confident	134 Å²	134	50.4 Å²	50.4	72%	0.717	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.5	-3.7	177.5	-56	-42.5	0	0	0	113	G371 K503	G371-N373 VanDerWaalsContact C-N 3.25Å; G371-N373 PolarHBondContact O-N 2.88Å; N373-K503 PolarHBondContact OD1-NZ 3.3Å; N373-K503 VanDerWaalsContact OD1-NZ 3.09Å
374	N	85	Confident	88.4	Confident	68 Å²	68	52 Å²	52	36%	0.364	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	68.5	-178.1	-173.3	13.5	0	0	0	109.3	F370 G371	F370-N374 HydrophobicContact CB-CB 4.47Å; F370-N374 PolarHBondContact N-O 3.3Å; G371-N374 PolarHBondContact N-O 3.06Å; G371-N374 CarbonylContact O-C 3.55Å; G371-N374 PolarHBondContact O-N 2.9Å
375	C	87.3	Confident	88.3	Confident	22 Å²	22	53.3 Å²	53.3	15%	0.149	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	118.8	175.8	172.6	0	0	0	0	110.6	C369 G371 A529 F533	C369-C375 HydrophobicContact CB-CB 3.56Å; C369-C375 WeakPolarHBondContact CB-SG 2.97Å; C369-C375 WeakPolarHBondContact SG-CA 2.97Å; C369-C375 WeakPolarHBondContact SG-CB 3.21Å; C369-C375 CovalentContact SG-SG 2.03Å; C369-C375 PolarHBondContact SG-SG 3.14Å; G371-C375 WeakPolarHBondContact O-CB 3.36Å; G371-C375 PolarHBondContact O-N 3.37Å; C375-A529 HydrophobicContact CB-CB 4.08Å; C375-F533 HydrophobicContact CB-CE2 3.51Å; C375-F533 HydrophobicContact CB-CZ 4.11Å; C375-F533 VanDerWaalsContact SG-CE2 3.58Å
376	N	84.5	Confident	88.2	Confident	24 Å²	24	48.6 Å²	48.6	13%	0.128	26%	0.257	C	S	.	.			trans	-94.5	99.7	173.4	170.5	-45.5	0	0	0	106.8	R28 E42 A368 N378	R28-N376 PolarHBondContact NH1-ND2 3.04Å; E42-N376 WeakPolarHBondContact CG-ND2 3.28Å; E42-N376 VanDerWaalsContact OE1-CA 3.29Å; E42-N376 WeakPolarHBondContact OE1-CA 3.47Å; E42-N376 WeakPolarHBondContact OE1-CB 3.48Å; E42-N376 PolarHBondContact OE1-ND2 3.1Å; E42-N376 PolarHBondContact OE1-OD1 3.35Å; E42-N376 VanDerWaalsContact OE2-CB 3.27Å; E42-N376 WeakPolarHBondContact OE2-CB 3.45Å; E42-N376 PolarHBondContact OE2-ND2 3.3Å; A368-N376 HydrophobicContact CB-CB 3.98Å; A368-N376 PolarHBondContact O-N 3.12Å; A368-N376 VanDerWaalsContact O-N 3.17Å; N376-N378 PolarHBondContact OD1-ND2 2.79Å
377	A	85.2	Confident	88.2	Confident	1 Å²	1	45.9 Å²	45.9	1%	0.008	24%	0.243	C	C	.	.			trans	-106.3	59.1	-173.6	0	0	0	0	0	110.3	F379 P528 A529 L532	A377-F379 HydrophobicContact CB-CZ 4.46Å; A377-F379 PolarHBondContact O-N 2.78Å; A377-P528 HydrophobicContact CB-CB 4.19Å; A377-P528 HydrophobicContact CB-CG 4.05Å; A377-P528 WeakPolarHBondContact O-CG 3.41Å; A377-A529 HydrophobicContact CB-CB 4.11Å; A377-L532 HydrophobicContact CB-CD1 3.61Å
378	N	86.1	Confident	88.1	Confident	62 Å²	62	39 Å²	39	33%	0.332	21%	0.214	S	C	.	.			trans	-72.7	90.5	172.9	-79.3	-25.3	0	0	0	110.4	E42 F364 N376	E42-N378 WeakPolarHBondContact CG-ND2 3.49Å; E42-N378 WeakPolarHBondContact CG-OD1 3.48Å; E42-N378 PolarHBondContact OE1-ND2 2.9Å; E42-N378 PolarHBondContact OE1-OD1 3.12Å; E42-N378 VanDerWaalsContact OE1-OD1 3.13Å; F364-N378 VanDerWaalsContact CB-O 3.26Å; F364-N378 WeakPolarHBondContact CB-O 3.04Å; N376-N378 PolarHBondContact OD1-ND2 2.79Å
379	F	92.1	Very high	88.2	Confident	15 Å²	15	38.8 Å²	38.8	7%	0.066	21%	0.211	C	C	.	.			trans	-66.9	132.9	174.6	-62.5	-54.4	0	0	0	111.3	V361 P362 P363 F364 A377 I381 T387 V393 P528 L532	V361-F379 HydrophobicContact CB-CE1 3.9Å; V361-F379 HydrophobicContact CB-CZ 4.26Å; V361-F379 HydrophobicContact CG2-CE1 3.84Å; V361-F379 HydrophobicContact CG2-CZ 4.49Å; P362-F379 HydrophobicContact CB-CB 4.16Å; P362-F379 HydrophobicContact CB-CD1 4.27Å; P362-F379 HydrophobicContact CB-CG 4.35Å; P362-F379 WeakPolarHBondContact O-CD1 3.38Å; P363-F379 CarbonylContact O-C 3.54Å; P363-F379 WeakPolarHBondContact O-CA 3.21Å; F364-F379 HydrophobicContact CB-CD1 3.9Å; F364-F379 HydrophobicContact CB-CE1 4.41Å; F364-F379 AromaticContact CD1-CD1 3.82Å; F364-F379 HydrophobicContact CD1-CD1 3.82Å; F364-F379 AromaticContact CD1-CE1 3.58Å; F364-F379 HydrophobicContact CD1-CE1 3.58Å; F364-F379 HydrophobicContact CE1-CE1 4.03Å; F364-F379 HydrophobicContact CG-CD1 4.04Å; F364-F379 HydrophobicContact CG-CE1 4.05Å; A377-F379 HydrophobicContact CB-CZ 4.46Å; A377-F379 PolarHBondContact O-N 2.78Å; F379-I381 HydrophobicContact CB-CD1 3.67Å; F379-I381 HydrophobicContact CB-CG1 4Å; F379-T387 HydrophobicContact CB-CG2 3.75Å; F379-T387 HydrophobicContact CD2-CG2 4.1Å; F379-T387 HydrophobicContact CG-CG2 4.4Å; F379-V393 HydrophobicContact CD2-CG1 3.73Å; F379-V393 HydrophobicContact CD2-CG2 4.12Å; F379-V393 HydrophobicContact CE2-CG1 3.64Å; F379-V393 HydrophobicContact CE2-CG2 4.4Å; F379-P528 HydrophobicContact CD2-CB 3.73Å; F379-P528 HydrophobicContact CE2-CB 3.38Å; F379-P528 HydrophobicContact CZ-CB 4.31Å; F379-L532 HydrophobicContact CE1-CD2 4.19Å; F379-L532 HydrophobicContact CZ-CD1 4.37Å; F379-L532 HydrophobicContact CZ-CD2 3.85Å; F379-L532 HydrophobicContact CZ-CG 4.16Å
380	D	91.4	Very high	88.4	Confident	52 Å²	52	38 Å²	38	28%	0.278	21%	0.206	S	C	.	.			trans	-96.5	102.8	178.8	-170.1	9.2	0	0	0	109.2	R342 L343 P363	R342-D380 IonicContact CZ-OD1 3.86Å; R342-D380 IonicContact CZ-OD2 2.64Å; R342-D380 IonicContact NH1-OD1 2.78Å; R342-D380 PolarHBondContact NH1-OD1 3.32Å; R342-D380 IonicContact NH1-OD2 3.38Å; R342-D380 PolarHBondContact NH1-OD2 3.07Å; R342-D380 IonicContact NH2-OD1 3.82Å; L343-D380 WeakPolarHBondContact CD2-O 3.45Å; P363-D380 HydrophobicContact CB-CB 4.27Å; P363-D380 WeakPolarHBondContact CD-O 3.28Å; P363-D380 WeakPolarHBondContact O-CB 3.14Å; P363-D380 PolarHBondContact O-N 3.23Å
381	I	92.7	Very high	88.7	Confident	12 Å²	12	31.2 Å²	31.2	6%	0.062	18%	0.176	C	C	.	.			trans	-134.9	156	-168.2	-60.4	172	0	0	0	108.4	P362 F379 D383 A386 H396	P362-I381 HydrophobicContact CB-CD1 3.78Å; P362-I381 HydrophobicContact CB-CG1 3.58Å; P362-I381 HydrophobicContact CG-CD1 3.72Å; P362-I381 HydrophobicContact CG-CG1 4.05Å; F379-I381 HydrophobicContact CB-CD1 3.67Å; F379-I381 HydrophobicContact CB-CG1 4Å; I381-D383 PolarHBondContact O-N 2.84Å; I381-A386 HydrophobicContact CB-CB 3.98Å; I381-A386 HydrophobicContact CD1-CB 3.58Å; I381-A386 HydrophobicContact CG1-CB 4.36Å; I381-A386 HydrophobicContact CG2-CB 3.76Å; I381-H396 HydrophobicContact CD1-CB 4.36Å; I381-H396 HydrophobicContact CG2-CB 4.29Å; I381-H396 VanDerWaalsContact CG2-ND1 3.27Å; I381-H396 WeakPolarHBondContact CG2-ND1 3.09Å
382	G	93.2	Very high	89.1	Confident	11 Å²	11	30.3 Å²	30.3	11%	0.113	17%	0.167	C	C	.	.	S	Bend	trans	-49.6	-40.4	-179.9	0	0	0	0	0	114.8	V332 S334	V332-G382 PolarHBondContact O-N 3.22Å; S334-G382 WeakPolarHBondContact CA-O 3.38Å; S334-G382 VanDerWaalsContact N-CA 3.32Å; S334-G382 PolarHBondContact OG-O 3Å
383	D	93.6	Very high	89.8	Confident	5 Å²	5	26.2 Å²	26.2	3%	0.027	14%	0.14	C	C	.	.	S	Bend	trans	-109.8	124.6	170.1	-172.7	103.9	0	0	0	111.1	H256 N323 A331 I381 R385 A386	H256-D383 IonicContact ND1-OD2 3.38Å; N323-D383 PolarHBondContact ND2-OD1 3.3Å; N323-D383 VanDerWaalsContact ND2-OD1 3.07Å; A331-D383 PolarHBondContact O-N 3.21Å; I381-D383 PolarHBondContact O-N 2.84Å; D383-R385 PolarHBondContact O-N 3.32Å; D383-R385 IonicContact OD1-CZ 3.39Å; D383-R385 IonicContact OD1-NE 2.83Å; D383-R385 PolarHBondContact OD1-NE 3.49Å; D383-R385 IonicContact OD1-NH2 3.48Å; D383-R385 PolarHBondContact OD1-NH2 2.96Å; D383-R385 WeakPolarHBondContact OD2-CA 3.22Å; D383-R385 WeakPolarHBondContact OD2-CB 3.07Å; D383-R385 WeakPolarHBondContact OD2-CG 3.36Å; D383-R385 IonicContact OD2-CZ 3.63Å; D383-R385 PolarHBondContact OD2-N 3.37Å; D383-R385 IonicContact OD2-NE 3.39Å; D383-R385 PolarHBondContact OD2-NE 3.46Å; D383-R385 VanDerWaalsContact OD2-NE 3.07Å; D383-R385 IonicContact OD2-NH2 3.41Å; D383-A386 WeakPolarHBondContact O-CB 3.45Å; D383-A386 PolarHBondContact O-N 3.3Å; D383-A386 VanDerWaalsContact O-N 3.12Å
384	N	85.8	Confident	90.6	Very high	48 Å²	48	19.8 Å²	19.8	26%	0.257	11%	0.106	S	C	.	.	G	3₁₀ helix	trans	-70.7	-13.2	-176.4	70.9	-18.5	0	0	0	114.1	R260 A386	R260-N384 VanDerWaalsContact CZ-ND2 3.34Å; R260-N384 PolarHBondContact NH1-ND2 3.36Å; R260-N384 PolarHBondContact NH1-OD1 3.29Å; R260-N384 PolarHBondContact NH2-ND2 2.78Å; N384-A386 PolarHBondContact O-N 3.31Å
385	R	91.1	Very high	91.2	Very high	46 Å²	46	16.6 Å²	16.6	17%	0.174	9%	0.089	C	C	.	.	G	3₁₀ helix	trans	-81.2	-5.4	174.4	-54.9	168.1	-69.7	179.7	-6.1	111.7	H256 S259 N323 D383 T387 I388 L392	H256-R385 VanDerWaalsContact CE1-CB 3.47Å; H256-R385 WeakPolarHBondContact CE1-CB 3.4Å; H256-R385 PolarHBondContact O-NH2 2.99Å; S259-R385 VanDerWaalsContact O-CZ 3.24Å; S259-R385 PolarHBondContact O-NH1 3Å; S259-R385 PolarHBondContact O-NH2 3.33Å; N323-R385 PolarHBondContact ND2-NH2 3.35Å; N323-R385 VanDerWaalsContact ND2-NH2 3.19Å; D383-R385 PolarHBondContact O-N 3.32Å; D383-R385 IonicContact OD1-CZ 3.39Å; D383-R385 IonicContact OD1-NE 2.83Å; D383-R385 PolarHBondContact OD1-NE 3.49Å; D383-R385 IonicContact OD1-NH2 3.48Å; D383-R385 PolarHBondContact OD1-NH2 2.96Å; D383-R385 WeakPolarHBondContact OD2-CA 3.22Å; D383-R385 WeakPolarHBondContact OD2-CB 3.07Å; D383-R385 WeakPolarHBondContact OD2-CG 3.36Å; D383-R385 IonicContact OD2-CZ 3.63Å; D383-R385 PolarHBondContact OD2-N 3.37Å; D383-R385 IonicContact OD2-NE 3.39Å; D383-R385 PolarHBondContact OD2-NE 3.46Å; D383-R385 VanDerWaalsContact OD2-NE 3.07Å; D383-R385 IonicContact OD2-NH2 3.41Å; R385-T387 PolarHBondContact O-N 3.06Å; R385-T387 VanDerWaalsContact O-N 3.12Å; R385-I388 HydrophobicContact CB-CD1 3.57Å; R385-I388 HydrophobicContact CB-CG1 4.13Å; R385-I388 HydrophobicContact CG-CD1 3.97Å; R385-I388 VanDerWaalsContact O-CB 3.26Å; R385-I388 WeakPolarHBondContact O-CB 3.38Å; R385-I388 VanDerWaalsContact O-CG1 3.26Å; R385-I388 WeakPolarHBondContact O-CG1 3.19Å; R385-I388 PolarHBondContact O-N 2.95Å; R385-L392 WeakPolarHBondContact O-CD2 3.45Å
386	A	90	Very high	91.6	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.082	C	C	.	.	G	3₁₀ helix	trans	-54.8	-30.1	178	0	0	0	0	0	113.3	I381 D383 N384 V393 H396	I381-A386 HydrophobicContact CB-CB 3.98Å; I381-A386 HydrophobicContact CD1-CB 3.58Å; I381-A386 HydrophobicContact CG1-CB 4.36Å; I381-A386 HydrophobicContact CG2-CB 3.76Å; D383-A386 WeakPolarHBondContact O-CB 3.45Å; D383-A386 PolarHBondContact O-N 3.3Å; D383-A386 VanDerWaalsContact O-N 3.12Å; N384-A386 PolarHBondContact O-N 3.31Å; A386-V393 WeakPolarHBondContact O-CG2 3.24Å; A386-V393 PolarHBondContact O-N 3.43Å; A386-H396 WeakPolarHBondContact CB-NE2 3.45Å
387	T	89.3	Confident	92.2	Very high	17 Å²	17	14.6 Å²	14.6	10%	0.104	8%	0.077	C	C	.	.	G	3₁₀ helix	trans	-86	-0.9	180	58.6	0	0	0	0	114.5	F379 R385 F389	F379-T387 HydrophobicContact CB-CG2 3.75Å; F379-T387 HydrophobicContact CD2-CG2 4.1Å; F379-T387 HydrophobicContact CG-CG2 4.4Å; R385-T387 PolarHBondContact O-N 3.06Å; R385-T387 VanDerWaalsContact O-N 3.12Å; T387-F389 PolarHBondContact O-N 3.09Å
388	I	89	Confident	92.8	Very high	22 Å²	22	14.6 Å²	14.6	11%	0.113	8%	0.076	C	C	.	.	S	Bend	trans	-61.4	-43.2	179.8	-70.8	-178.9	0	0	0	111.4	R385 V525 L526 F564	R385-I388 HydrophobicContact CB-CD1 3.57Å; R385-I388 HydrophobicContact CB-CG1 4.13Å; R385-I388 HydrophobicContact CG-CD1 3.97Å; R385-I388 VanDerWaalsContact O-CB 3.26Å; R385-I388 WeakPolarHBondContact O-CB 3.38Å; R385-I388 VanDerWaalsContact O-CG1 3.26Å; R385-I388 WeakPolarHBondContact O-CG1 3.19Å; R385-I388 PolarHBondContact O-N 2.95Å; I388-V525 CarbonylContact O-C 3.54Å; I388-V525 VanDerWaalsContact O-CA 3.31Å; I388-V525 WeakPolarHBondContact O-CA 3.08Å; I388-L526 HydrophobicContact CG1-CD2 4.39Å; I388-L526 PolarHBondContact O-N 2.81Å; I388-F564 HydrophobicContact CG2-CE1 3.87Å; I388-F564 HydrophobicContact CG2-CZ 3.93Å
389	F	91.9	Very high	93.4	Very high	9 Å²	9	11.6 Å²	11.6	4%	0.039	6%	0.061	C	C	.	.	B	Isolated β-bridge	trans	-130	136.3	-179.4	-55	-54.2	0	0	0	110.6	Q252 T387 A391 L392 V393 F521 V525 M563	Q252-F389 VanDerWaalsContact NE2-CD2 3.26Å; T387-F389 PolarHBondContact O-N 3.09Å; F389-A391 PolarHBondContact O-N 3.47Å; F389-L392 HydrophobicContact CB-CB 4.24Å; F389-L392 WeakPolarHBondContact O-CB 3.48Å; F389-L392 PolarHBondContact O-N 3.18Å; F389-V393 PolarHBondContact O-N 3.38Å; F389-V393 VanDerWaalsContact O-N 3.16Å; F389-F521 HydrophobicContact CD1-CE1 4.01Å; F389-F521 HydrophobicContact CD1-CE2 4.46Å; F389-F521 AromaticContact CD1-CZ 3.61Å; F389-F521 HydrophobicContact CD1-CZ 3.61Å; F389-F521 HydrophobicContact CD2-CZ 4.47Å; F389-F521 AromaticContact CE1-CE1 3.63Å; F389-F521 HydrophobicContact CE1-CE1 3.63Å; F389-F521 AromaticContact CE1-CZ 3.49Å; F389-F521 HydrophobicContact CE1-CZ 3.49Å; F389-F521 VanDerWaalsContact CE1-CZ 3.49Å; F389-F521 HydrophobicContact CE2-CZ 4.35Å; F389-F521 HydrophobicContact CG-CZ 4.14Å; F389-F521 HydrophobicContact CZ-CE1 4.24Å; F389-F521 AromaticContact CZ-CZ 3.89Å; F389-F521 HydrophobicContact CZ-CZ 3.89Å; F389-V525 HydrophobicContact CD1-CB 4.41Å; F389-V525 HydrophobicContact CD1-CG1 4.4Å; F389-V525 HydrophobicContact CD1-CG2 3.84Å; F389-V525 HydrophobicContact CE1-CB 4.45Å; F389-V525 HydrophobicContact CE1-CG1 4.13Å; F389-V525 HydrophobicContact CE1-CG2 3.75Å; F389-M563 HydrophobicContact CE1-CE 4.34Å; F389-M563 HydrophobicContact CE1-SD 3.83Å; F389-M563 HydrophobicContact CZ-CE 4.22Å; F389-M563 HydrophobicContact CZ-SD 4.03Å
390	I	93.2	Very high	93.7	Very high	1 Å²	1	11.3 Å²	11.3	1%	0.005	6%	0.059	C	C	.	.	H	α-helix	trans	-56.6	-33	178.1	54.1	172.2	0	0	0	113.4	A394 Y489 F519 G524 K527 L531 L540	I390-A394 PolarHBondContact O-N 3.01Å; I390-Y489 HydrophobicContact CD1-CD2 4.01Å; I390-Y489 HydrophobicContact CD1-CE2 4.15Å; I390-Y489 HydrophobicContact CG1-CD2 4.27Å; I390-Y489 HydrophobicContact CG1-CE2 3.93Å; I390-F519 HydrophobicContact CD1-CD2 3.74Å; I390-F519 HydrophobicContact CD1-CE2 4.07Å; I390-G524 WeakPolarHBondContact CG2-O 3.38Å; I390-G524 PolarHBondContact N-O 3.08Å; I390-G524 VanDerWaalsContact N-O 3.14Å; I390-K527 WeakPolarHBondContact CG2-O 3.42Å; I390-L531 HydrophobicContact CB-CD1 4.13Å; I390-L531 HydrophobicContact CB-CD2 4.1Å; I390-L531 HydrophobicContact CB-CG 4.06Å; I390-L531 HydrophobicContact CG2-CD1 4.3Å; I390-L531 HydrophobicContact CG2-CG 4.08Å; I390-L540 HydrophobicContact CB-CD2 4.07Å; I390-L540 HydrophobicContact CD1-CD2 4.05Å; I390-L540 HydrophobicContact CG1-CD2 3.83Å
391	A	94.2	Very high	94	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-73.7	-28.3	177.8	0	0	0	0	0	112.4	Q249 F389 A394 V395 Y489 L540 L544	Q249-A391 VanDerWaalsContact CD-C 3.4Å; Q249-A391 HydrophobicContact CG-CB 4.14Å; Q249-A391 WeakPolarHBondContact CG-O 3.33Å; Q249-A391 VanDerWaalsContact OE1-C 3.32Å; F389-A391 PolarHBondContact O-N 3.47Å; A391-A394 WeakPolarHBondContact O-CB 3.44Å; A391-A394 PolarHBondContact O-N 3.13Å; A391-V395 PolarHBondContact O-N 3.33Å; A391-Y489 HydrophobicContact CB-CD1 4.24Å; A391-Y489 HydrophobicContact CB-CE1 3.52Å; A391-L540 VanDerWaalsContact CA-CD2 3.49Å; A391-L540 HydrophobicContact CB-CD2 3.89Å; A391-L540 HydrophobicContact CB-CG 4.33Å; A391-L544 HydrophobicContact CB-CD1 4.26Å
392	L	95.8	Very high	94.3	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-69.5	-46.3	172.7	-177.6	60	0	0	0	110.6	Q252 F253 R385 F389 A394 V395 H396	Q252-L392 HydrophobicContact CG-CD1 4.34Å; Q252-L392 HydrophobicContact CG-CD2 4.46Å; F253-L392 HydrophobicContact CB-CD1 4.26Å; R385-L392 WeakPolarHBondContact O-CD2 3.45Å; F389-L392 HydrophobicContact CB-CB 4.24Å; F389-L392 WeakPolarHBondContact O-CB 3.48Å; F389-L392 PolarHBondContact O-N 3.18Å; L392-A394 PolarHBondContact O-N 2.84Å; L392-A394 VanDerWaalsContact O-N 3.16Å; L392-V395 PolarHBondContact O-N 3.47Å; L392-H396 PolarHBondContact O-CD2 3.06Å; L392-H396 VanDerWaalsContact O-CD2 3.32Å; L392-H396 PolarHBondContact O-N 3.19Å
393	V	95.3	Very high	94.5	Very high	1 Å²	1	9 Å²	9	1%	0.006	4%	0.043	C	C	.	.	H	α-helix	trans	-52.1	-39.9	172.8	177.8	0	0	0	0	111.1	F379 A386 F389 V395 H396 T397 L531	F379-V393 HydrophobicContact CD2-CG1 3.73Å; F379-V393 HydrophobicContact CD2-CG2 4.12Å; F379-V393 HydrophobicContact CE2-CG1 3.64Å; F379-V393 HydrophobicContact CE2-CG2 4.4Å; A386-V393 WeakPolarHBondContact O-CG2 3.24Å; A386-V393 PolarHBondContact O-N 3.43Å; F389-V393 PolarHBondContact O-N 3.38Å; F389-V393 VanDerWaalsContact O-N 3.16Å; V393-V395 PolarHBondContact O-N 3.07Å; V393-H396 PolarHBondContact O-N 2.88Å; V393-T397 WeakPolarHBondContact O-CB 3.48Å; V393-T397 PolarHBondContact O-N 3.35Å; V393-T397 PolarHBondContact O-OG1 3.23Å; V393-L531 HydrophobicContact CB-CD1 3.69Å; V393-L531 HydrophobicContact CG1-CD1 3.58Å; V393-L531 HydrophobicContact CG2-CD1 4.34Å
394	A	95.7	Very high	94.7	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-61.4	-42.8	178.5	0	0	0	0	0	112.8	I390 A391 L392 T397 L398 V537 L541	I390-A394 PolarHBondContact O-N 3.01Å; A391-A394 WeakPolarHBondContact O-CB 3.44Å; A391-A394 PolarHBondContact O-N 3.13Å; L392-A394 PolarHBondContact O-N 2.84Å; L392-A394 VanDerWaalsContact O-N 3.16Å; A394-T397 WeakPolarHBondContact O-CB 3.48Å; A394-T397 PolarHBondContact O-N 3.4Å; A394-L398 PolarHBondContact O-N 3.15Å; A394-L398 VanDerWaalsContact O-N 3.12Å; A394-V537 HydrophobicContact CB-CB 3.83Å; A394-V537 HydrophobicContact CB-CG1 3.99Å; A394-L541 HydrophobicContact CB-CD1 4.34Å; A394-L541 HydrophobicContact CB-CD2 3.81Å; A394-L541 HydrophobicContact CB-CG 3.89Å
395	V	97.3	Very high	95.3	Very high	1 Å²	1	10.7 Å²	10.7	1%	0.006	5%	0.047	C	C	.	.	H	α-helix	trans	-69.2	-42.7	176.8	177.8	0	0	0	0	111.8	L246 Q249 F253 A391 L392 V393 T397 L398 F399	L246-V395 HydrophobicContact CD1-CG2 4.1Å; Q249-V395 HydrophobicContact CB-CG2 4.39Å; Q249-V395 HydrophobicContact CG-CG2 3.58Å; F253-V395 HydrophobicContact CB-CG1 3.92Å; F253-V395 HydrophobicContact CD1-CG1 4.35Å; F253-V395 HydrophobicContact CD2-CG1 3.9Å; F253-V395 HydrophobicContact CG-CG1 3.78Å; A391-V395 PolarHBondContact O-N 3.33Å; L392-V395 PolarHBondContact O-N 3.47Å; V393-V395 PolarHBondContact O-N 3.07Å; V395-T397 PolarHBondContact O-N 3.32Å; V395-L398 WeakPolarHBondContact O-CB 3.47Å; V395-L398 PolarHBondContact O-N 3.03Å; V395-L398 VanDerWaalsContact O-N 3.14Å; V395-F399 HydrophobicContact CG1-CD2 4.15Å; V395-F399 HydrophobicContact CG1-CE2 3.97Å; V395-F399 WeakPolarHBondContact O-CD2 3.45Å; V395-F399 PolarHBondContact O-N 3.1Å
396	H	97.3	Very high	95.7	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-58.7	-39.6	172.8	-79	-97.4	0	0	0	111.7	F253 A331 I381 A386 L392 V393 L398 F399 I400	F253-H396 AromaticContact CD2-CD2 3.91Å; F253-H396 AromaticContact CD2-NE2 3.79Å; F253-H396 AromaticContact CE2-CE1 3.94Å; F253-H396 AromaticContact CE2-ND1 3.92Å; A331-H396 PolarHBondContact O-CE1 3.3Å; A331-H396 PolarHBondContact O-ND1 2.9Å; I381-H396 HydrophobicContact CD1-CB 4.36Å; I381-H396 HydrophobicContact CG2-CB 4.29Å; I381-H396 VanDerWaalsContact CG2-ND1 3.27Å; I381-H396 WeakPolarHBondContact CG2-ND1 3.09Å; A386-H396 WeakPolarHBondContact CB-NE2 3.45Å; L392-H396 PolarHBondContact O-CD2 3.06Å; L392-H396 VanDerWaalsContact O-CD2 3.32Å; L392-H396 PolarHBondContact O-N 3.19Å; V393-H396 PolarHBondContact O-N 2.88Å; H396-L398 VanDerWaalsContact C-N 3.33Å; H396-L398 PolarHBondContact O-N 3.39Å; H396-F399 PolarHBondContact O-N 2.91Å; H396-I400 WeakPolarHBondContact O-CG1 3.49Å; H396-I400 PolarHBondContact O-N 3.14Å
397	T	96.9	Very high	96.1	Very high	3 Å²	3	8.5 Å²	8.5	2%	0.018	4%	0.039	C	C	.	.	H	α-helix	trans	-62.4	-38.4	177.3	-57.7	0	0	0	0	111.8	P362 V393 A394 V395 I400 R401 V537	P362-T397 WeakPolarHBondContact CD-OG1 3.23Å; V393-T397 WeakPolarHBondContact O-CB 3.48Å; V393-T397 PolarHBondContact O-N 3.35Å; V393-T397 PolarHBondContact O-OG1 3.23Å; A394-T397 WeakPolarHBondContact O-CB 3.48Å; A394-T397 PolarHBondContact O-N 3.4Å; V395-T397 PolarHBondContact O-N 3.32Å; T397-I400 PolarHBondContact O-N 3.07Å; T397-R401 HydrophobicContact CG2-CG 4.33Å; T397-R401 WeakPolarHBondContact O-CB 3.22Å; T397-R401 VanDerWaalsContact O-CG 3.25Å; T397-R401 WeakPolarHBondContact O-CG 3.31Å; T397-R401 PolarHBondContact O-N 3.14Å; T397-V537 HydrophobicContact CG2-CG1 4.5Å; T397-V537 HydrophobicContact CG2-CG2 4.25Å
398	L	97.6	Very high	96.5	Very high	1 Å²	1	10.7 Å²	10.7	1%	0.005	5%	0.047	C	C	.	.	H	α-helix	trans	-60	-47	175.7	-70.9	174.1	0	0	0	111.7	A394 V395 H396 R401 E402 L541 L688 M689 N692 M693	A394-L398 PolarHBondContact O-N 3.15Å; A394-L398 VanDerWaalsContact O-N 3.12Å; V395-L398 WeakPolarHBondContact O-CB 3.47Å; V395-L398 PolarHBondContact O-N 3.03Å; V395-L398 VanDerWaalsContact O-N 3.14Å; H396-L398 VanDerWaalsContact C-N 3.33Å; H396-L398 PolarHBondContact O-N 3.39Å; L398-R401 PolarHBondContact O-N 3.3Å; L398-E402 WeakPolarHBondContact O-CB 3.36Å; L398-E402 PolarHBondContact O-N 2.82Å; L398-L541 HydrophobicContact CD1-CD1 4.09Å; L398-L541 HydrophobicContact CD1-CD2 3.93Å; L398-L541 HydrophobicContact CD2-CD1 3.92Å; L398-L541 HydrophobicContact CG-CD1 4.01Å; L398-L688 HydrophobicContact CB-CD2 4.22Å; L398-L688 HydrophobicContact CB-CG 4.31Å; L398-M689 HydrophobicContact CD1-CG 4.26Å; L398-N692 HydrophobicContact CD2-CB 3.72Å; L398-M693 HydrophobicContact CD2-CG 3.94Å
399	F	98.2	Very high	96.9	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-71.1	-34.7	-179.4	-76.1	-71.4	0	0	0	113.6	F250 F253 V332 V395 H396 E402 H403 I430 I434 L688	F250-F399 HydrophobicContact CE2-CE2 4.26Å; F250-F399 HydrophobicContact CE2-CZ 4.06Å; F253-F399 HydrophobicContact CD1-CD2 4.39Å; F253-F399 AromaticContact CD1-CE2 3.86Å; F253-F399 HydrophobicContact CD1-CE2 3.86Å; F253-F399 AromaticContact CE1-CD2 3.68Å; F253-F399 HydrophobicContact CE1-CD2 3.68Å; F253-F399 AromaticContact CE1-CE2 3.35Å; F253-F399 HydrophobicContact CE1-CE2 3.35Å; F253-F399 AromaticContact CE1-CZ 3.99Å; F253-F399 HydrophobicContact CE1-CZ 3.99Å; F253-F399 AromaticContact CE2-CD2 3.85Å; F253-F399 HydrophobicContact CE2-CD2 3.85Å; F253-F399 HydrophobicContact CE2-CE2 4.28Å; F253-F399 AromaticContact CZ-CD2 3.36Å; F253-F399 HydrophobicContact CZ-CD2 3.36Å; F253-F399 AromaticContact CZ-CE2 3.6Å; F253-F399 HydrophobicContact CZ-CE2 3.6Å; F253-F399 HydrophobicContact CZ-CG 4.05Å; F253-F399 HydrophobicContact CZ-CZ 4.44Å; V332-F399 HydrophobicContact CG2-CB 3.69Å; V332-F399 HydrophobicContact CG2-CG 4.43Å; V395-F399 HydrophobicContact CG1-CD2 4.15Å; V395-F399 HydrophobicContact CG1-CE2 3.97Å; V395-F399 WeakPolarHBondContact O-CD2 3.45Å; V395-F399 PolarHBondContact O-N 3.1Å; H396-F399 PolarHBondContact O-N 2.91Å; F399-E402 PolarHBondContact O-N 2.74Å; F399-H403 WeakPolarHBondContact O-CB 3.27Å; F399-H403 PolarHBondContact O-N 2.83Å; F399-I430 HydrophobicContact CD1-CD1 4.42Å; F399-I430 HydrophobicContact CD1-CG2 4.17Å; F399-I434 HydrophobicContact CD1-CD1 4.46Å; F399-I434 HydrophobicContact CD1-CG1 4.22Å; F399-I434 HydrophobicContact CE1-CD1 4.27Å; F399-I434 HydrophobicContact CE1-CG1 3.57Å; F399-I434 HydrophobicContact CZ-CG1 3.77Å; F399-L688 HydrophobicContact CD1-CD1 4.41Å; F399-L688 HydrophobicContact CD1-CD2 4.23Å; F399-L688 HydrophobicContact CD2-CD2 4.44Å; F399-L688 HydrophobicContact CE1-CD1 4.43Å; F399-L688 HydrophobicContact CE1-CD2 3.76Å; F399-L688 HydrophobicContact CE2-CD2 3.99Å; F399-L688 HydrophobicContact CZ-CD2 3.63Å
400	I	97.8	Very high	97.2	Very high	8 Å²	8	13.2 Å²	13.2	4%	0.041	6%	0.059	C	C	.	.	H	α-helix	trans	-63.9	-44.5	172.9	-71.1	164.9	0	0	0	110.5	V332 M351 P362 H396 T397 E402 H403 N404	V332-I400 HydrophobicContact CG1-CG1 3.99Å; M351-I400 HydrophobicContact CB-CG2 4.12Å; P362-I400 HydrophobicContact CB-CD1 3.91Å; P362-I400 HydrophobicContact CG-CD1 3.77Å; H396-I400 WeakPolarHBondContact O-CG1 3.49Å; H396-I400 PolarHBondContact O-N 3.14Å; T397-I400 PolarHBondContact O-N 3.07Å; I400-E402 VanDerWaalsContact C-N 3.35Å; I400-H403 PolarHBondContact O-N 3.44Å; I400-N404 PolarHBondContact O-N 2.82Å; I400-N404 VanDerWaalsContact O-N 3.14Å
401	R	97.9	Very high	97.4	Very high	27 Å²	27	17.7 Å²	17.7	10%	0.102	8%	0.076	C	C	.	.	H	α-helix	trans	-63.3	-41.7	176	-70.9	175.5	-178.5	-176.7	4.2	111.3	V360 T397 L398 N404 R405 E538 N692	V360-R401 PolarHBondContact O-NE 3.11Å; V360-R401 PolarHBondContact O-NH2 3.36Å; T397-R401 HydrophobicContact CG2-CG 4.33Å; T397-R401 WeakPolarHBondContact O-CB 3.22Å; T397-R401 VanDerWaalsContact O-CG 3.25Å; T397-R401 WeakPolarHBondContact O-CG 3.31Å; T397-R401 PolarHBondContact O-N 3.14Å; L398-R401 PolarHBondContact O-N 3.3Å; R401-N404 PolarHBondContact O-N 3.09Å; R401-R405 WeakPolarHBondContact O-CB 3.45Å; R401-R405 PolarHBondContact O-N 3.22Å; R401-E538 IonicContact CZ-OE1 2.58Å; R401-E538 IonicContact NH1-OE1 3.41Å; R401-E538 PolarHBondContact NH1-OE1 3.45Å; R401-E538 IonicContact NH2-OE1 3.36Å; R401-E538 PolarHBondContact NH2-OE1 2.87Å; R401-N692 HydrophobicContact CB-CB 4.05Å; R401-N692 WeakPolarHBondContact CB-OD1 3.32Å; R401-N692 PolarHBondContact NH1-O 3.03Å
402	E	98.4	Very high	97.5	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-66.2	-41.1	178.8	-174.4	61.7	-174	0	0	112	L398 F399 I400 N404 R405 L406 I430 M433 L688 N691 N692	L398-E402 WeakPolarHBondContact O-CB 3.36Å; L398-E402 PolarHBondContact O-N 2.82Å; F399-E402 PolarHBondContact O-N 2.74Å; I400-E402 VanDerWaalsContact C-N 3.35Å; E402-N404 VanDerWaalsContact C-N 3.33Å; E402-N404 PolarHBondContact O-N 3.06Å; E402-R405 PolarHBondContact O-N 3.4Å; E402-R405 IonicContact OE1-CZ 3.94Å; E402-R405 IonicContact OE1-NE 3.4Å; E402-R405 PolarHBondContact OE1-NE 3.19Å; E402-R405 IonicContact OE1-NH2 3.52Å; E402-R405 PolarHBondContact OE1-NH2 2.76Å; E402-R405 IonicContact OE2-CZ 3.85Å; E402-R405 IonicContact OE2-NE 3.02Å; E402-R405 PolarHBondContact OE2-NE 2.9Å; E402-R405 IonicContact OE2-NH2 2.78Å; E402-L406 HydrophobicContact CG-CD1 4.16Å; E402-L406 HydrophobicContact CG-CG 4.4Å; E402-L406 WeakPolarHBondContact O-CB 3.29Å; E402-L406 VanDerWaalsContact O-CG 3.27Å; E402-L406 WeakPolarHBondContact O-CG 3.22Å; E402-L406 PolarHBondContact O-N 2.78Å; E402-I430 HydrophobicContact CB-CD1 3.87Å; E402-I430 HydrophobicContact CG-CD1 3.6Å; E402-M433 HydrophobicContact CG-CE 4.43Å; E402-M433 HydrophobicContact CG-SD 4Å; E402-L688 HydrophobicContact CB-CD1 3.61Å; E402-L688 HydrophobicContact CG-CD1 3.74Å; E402-N691 PolarHBondContact OE1-ND2 2.9Å; E402-N691 WeakPolarHBondContact OE2-CB 3.44Å; E402-N691 PolarHBondContact OE2-ND2 2.86Å; E402-N692 PolarHBondContact N-OD1 3.34Å; E402-N692 VanDerWaalsContact N-OD1 3.15Å; E402-N692 PolarHBondContact OE2-ND2 3.31Å
403	H	98.5	Very high	97.6	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-55.7	-51	173.2	177.4	104.4	0	0	0	110.5	Y333 G349 M351 F399 I400 R405 L406 T407 F423 I430	Y333-H403 AromaticContact CE1-CE1 3.67Å; Y333-H403 AromaticContact CE1-ND1 3.34Å; Y333-H403 VanDerWaalsContact CE1-ND1 3.34Å; Y333-H403 WeakPolarHBondContact CE1-ND1 3.36Å; Y333-H403 AromaticContact CZ-ND1 3.51Å; Y333-H403 PolarHBondContact OH-ND1 3.46Å; G349-H403 PolarHBondContact O-NE2 2.86Å; M351-H403 HydrophobicContact CG-CB 4.21Å; M351-H403 PolarHBondContact N-CD2 3.38Å; F399-H403 WeakPolarHBondContact O-CB 3.27Å; F399-H403 PolarHBondContact O-N 2.83Å; I400-H403 PolarHBondContact O-N 3.44Å; H403-R405 VanDerWaalsContact C-N 3.31Å; H403-R405 PolarHBondContact O-N 2.86Å; H403-L406 WeakPolarHBondContact O-CB 3.15Å; H403-L406 PolarHBondContact O-N 2.89Å; H403-L406 VanDerWaalsContact O-N 3.15Å; H403-T407 PolarHBondContact CD2-OG1 3.4Å; H403-T407 PolarHBondContact NE2-OG1 3.38Å; H403-T407 PolarHBondContact O-N 2.88Å; H403-T407 PolarHBondContact O-OG1 3.36Å; H403-T407 VanDerWaalsContact O-OG1 3.05Å; H403-F423 AromaticContact CE1-CD2 3.6Å; H403-F423 AromaticContact CE1-CE2 3.94Å; H403-F423 AromaticContact NE2-CD2 3.73Å; H403-I430 HydrophobicContact CB-CD1 4.48Å; H403-I430 HydrophobicContact CB-CG1 4.23Å
404	N	98.4	Very high	97.6	Very high	21 Å²	21	25.7 Å²	25.7	11%	0.112	12%	0.117	C	C	.	.	H	α-helix	trans	-63.9	-38.5	-178.2	-68.9	1.1	0	0	0	111.5	T350 M351 F353 I400 R401 E402 E408	T350-N404 WeakPolarHBondContact CB-OD1 3.46Å; T350-N404 HydrophobicContact CG2-CB 4.42Å; M351-N404 PolarHBondContact N-OD1 3.42Å; M351-N404 PolarHBondContact O-ND2 3.28Å; M351-N404 VanDerWaalsContact O-ND2 3.07Å; M351-N404 PolarHBondContact O-OD1 2.91Å; F353-N404 WeakPolarHBondContact CD1-ND2 3.42Å; I400-N404 PolarHBondContact O-N 2.82Å; I400-N404 VanDerWaalsContact O-N 3.14Å; R401-N404 PolarHBondContact O-N 3.09Å; E402-N404 VanDerWaalsContact C-N 3.33Å; E402-N404 PolarHBondContact O-N 3.06Å; N404-E408 WeakPolarHBondContact O-CB 3.33Å; N404-E408 VanDerWaalsContact O-CG 3.29Å; N404-E408 WeakPolarHBondContact O-CG 3.48Å; N404-E408 PolarHBondContact O-N 3.28Å; N404-E408 VanDerWaalsContact O-N 3.09Å
405	R	98.2	Very high	97.6	Very high	68 Å²	68	30.8 Å²	30.8	26%	0.257	15%	0.151	S	C	.	.	H	α-helix	trans	-60.4	-47	173	-168.5	-163.9	70.7	73.3	1.4	111.3	R401 E402 H403 E408 Q409 N691	R401-R405 WeakPolarHBondContact O-CB 3.45Å; R401-R405 PolarHBondContact O-N 3.22Å; E402-R405 PolarHBondContact O-N 3.4Å; E402-R405 IonicContact OE1-CZ 3.94Å; E402-R405 IonicContact OE1-NE 3.4Å; E402-R405 PolarHBondContact OE1-NE 3.19Å; E402-R405 IonicContact OE1-NH2 3.52Å; E402-R405 PolarHBondContact OE1-NH2 2.76Å; E402-R405 IonicContact OE2-CZ 3.85Å; E402-R405 IonicContact OE2-NE 3.02Å; E402-R405 PolarHBondContact OE2-NE 2.9Å; E402-R405 IonicContact OE2-NH2 2.78Å; H403-R405 VanDerWaalsContact C-N 3.31Å; H403-R405 PolarHBondContact O-N 2.86Å; R405-E408 PolarHBondContact O-N 3.05Å; R405-Q409 VanDerWaalsContact O-CG 3.3Å; R405-Q409 WeakPolarHBondContact O-CG 3.47Å; R405-Q409 PolarHBondContact O-N 3.47Å; R405-Q409 VanDerWaalsContact O-N 3.1Å; R405-N691 PolarHBondContact NE-ND2 3.02Å
406	L	98.4	Very high	97.5	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-62.9	-47.1	178.7	-72	170.8	0	0	0	111.7	E402 H403 E408 Q409 L410 I429 I430 M433 L723	E402-L406 HydrophobicContact CG-CD1 4.16Å; E402-L406 HydrophobicContact CG-CG 4.4Å; E402-L406 WeakPolarHBondContact O-CB 3.29Å; E402-L406 VanDerWaalsContact O-CG 3.27Å; E402-L406 WeakPolarHBondContact O-CG 3.22Å; E402-L406 PolarHBondContact O-N 2.78Å; H403-L406 WeakPolarHBondContact O-CB 3.15Å; H403-L406 PolarHBondContact O-N 2.89Å; H403-L406 VanDerWaalsContact O-N 3.15Å; L406-E408 VanDerWaalsContact C-N 3.31Å; L406-E408 PolarHBondContact O-N 2.96Å; L406-Q409 PolarHBondContact O-N 3.44Å; L406-L410 WeakPolarHBondContact O-CB 3.41Å; L406-L410 VanDerWaalsContact O-CG 3.31Å; L406-L410 WeakPolarHBondContact O-CG 3.44Å; L406-L410 PolarHBondContact O-N 2.96Å; L406-I429 HydrophobicContact CD1-CB 4.15Å; L406-I429 HydrophobicContact CD1-CG2 3.66Å; L406-I429 HydrophobicContact CD2-CG2 4.21Å; L406-I430 HydrophobicContact CD1-CD1 3.69Å; L406-I430 HydrophobicContact CD1-CG1 3.82Å; L406-M433 HydrophobicContact CD1-CE 3.94Å; L406-M433 HydrophobicContact CD1-SD 4.16Å; L406-M433 HydrophobicContact CD2-CE 4.13Å; L406-L723 HydrophobicContact CD2-CD1 3.93Å; L406-L723 HydrophobicContact CD2-CD2 3.91Å
407	T	98.5	Very high	97.4	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-55.5	-47.1	177.6	-63.5	0	0	0	0	111.6	V348 T350 H403 L410 R411 L422 S426	V348-T407 WeakPolarHBondContact O-CG2 3.32Å; T350-T407 HydrophobicContact CG2-CG2 3.6Å; H403-T407 PolarHBondContact CD2-OG1 3.4Å; H403-T407 PolarHBondContact NE2-OG1 3.38Å; H403-T407 PolarHBondContact O-N 2.88Å; H403-T407 PolarHBondContact O-OG1 3.36Å; H403-T407 VanDerWaalsContact O-OG1 3.05Å; T407-L410 PolarHBondContact O-N 3.01Å; T407-R411 WeakPolarHBondContact O-CB 3.38Å; T407-R411 PolarHBondContact O-N 2.82Å; T407-L422 HydrophobicContact CG2-CB 4.16Å; T407-S426 VanDerWaalsContact CA-OG 3.31Å; T407-S426 WeakPolarHBondContact CA-OG 3.49Å; T407-S426 PolarHBondContact N-OG 3.22Å; T407-S426 WeakPolarHBondContact OG1-CB 3.36Å; T407-S426 PolarHBondContact OG1-OG 2.74Å
408	E	97.9	Very high	97.3	Very high	62 Å²	62	40.4 Å²	40.4	29%	0.29	21%	0.208	S	C	.	.	H	α-helix	trans	-64.1	-43.1	179.3	-74.7	-64.4	143.3	0	0	112.3	N404 R405 L406 R411 L412	N404-E408 WeakPolarHBondContact O-CB 3.33Å; N404-E408 VanDerWaalsContact O-CG 3.29Å; N404-E408 WeakPolarHBondContact O-CG 3.48Å; N404-E408 PolarHBondContact O-N 3.28Å; N404-E408 VanDerWaalsContact O-N 3.09Å; R405-E408 PolarHBondContact O-N 3.05Å; L406-E408 VanDerWaalsContact C-N 3.31Å; L406-E408 PolarHBondContact O-N 2.96Å; E408-R411 PolarHBondContact O-N 3.23Å; E408-R411 IonicContact OE1-CZ 3.27Å; E408-R411 IonicContact OE1-NH1 3.07Å; E408-R411 PolarHBondContact OE1-NH1 3.12Å; E408-R411 IonicContact OE1-NH2 3.21Å; E408-R411 PolarHBondContact OE1-NH2 2.84Å; E408-R411 IonicContact OE2-CZ 3.17Å; E408-R411 IonicContact OE2-NE 2.68Å; E408-R411 IonicContact OE2-NH1 2.99Å; E408-R411 IonicContact OE2-NH2 2.85Å; E408-R411 PolarHBondContact OE2-NH2 3.05Å; E408-L412 WeakPolarHBondContact O-CG 3.42Å; E408-L412 PolarHBondContact O-N 3.41Å
409	Q	97.8	Very high	97.3	Very high	84 Å²	84	42.5 Å²	42.5	39%	0.393	22%	0.222	S	C	.	.	H	α-helix	trans	-67.8	-43.1	177	-66.7	-60.5	-58.6	0	0	112.3	R405 L406 R411 L412 I413 L723	R405-Q409 VanDerWaalsContact O-CG 3.3Å; R405-Q409 WeakPolarHBondContact O-CG 3.47Å; R405-Q409 PolarHBondContact O-N 3.47Å; R405-Q409 VanDerWaalsContact O-N 3.1Å; L406-Q409 PolarHBondContact O-N 3.44Å; Q409-R411 VanDerWaalsContact C-N 3.27Å; Q409-R411 PolarHBondContact O-N 3.17Å; Q409-L412 WeakPolarHBondContact O-CB 3.25Å; Q409-L412 PolarHBondContact O-N 3.33Å; Q409-L412 VanDerWaalsContact O-N 3.16Å; Q409-I413 WeakPolarHBondContact O-CG1 3.07Å; Q409-I413 PolarHBondContact O-N 2.97Å; Q409-I413 VanDerWaalsContact O-N 3.09Å; Q409-L723 HydrophobicContact CB-CD1 3.53Å; Q409-L723 HydrophobicContact CG-CD1 4.17Å
410	L	98	Very high	97.2	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-63.2	-34.9	177.1	-73.8	172	0	0	0	111.9	L406 T407 L412 I413 N414 W417 L422 E425 I429 W726	L406-L410 WeakPolarHBondContact O-CB 3.41Å; L406-L410 VanDerWaalsContact O-CG 3.31Å; L406-L410 WeakPolarHBondContact O-CG 3.44Å; L406-L410 PolarHBondContact O-N 2.96Å; T407-L410 PolarHBondContact O-N 3.01Å; L410-L412 VanDerWaalsContact C-N 3.33Å; L410-I413 PolarHBondContact O-N 3.02Å; L410-N414 WeakPolarHBondContact O-CB 3.5Å; L410-N414 PolarHBondContact O-N 3.34Å; L410-W417 HydrophobicContact CB-CZ3 4.43Å; L410-W417 HydrophobicContact CD2-CZ3 4.28Å; L410-L422 HydrophobicContact CB-CD2 3.85Å; L410-E425 HydrophobicContact CD1-CB 4.17Å; L410-I429 HydrophobicContact CD1-CD1 4Å; L410-W726 HydrophobicContact CD2-CB 3.64Å; L410-W726 HydrophobicContact CD2-CG 4.16Å
411	R	97.2	Very high	97.1	Very high	96 Å²	96	44.8 Å²	44.8	36%	0.362	23%	0.231	S	C	.	.	H	α-helix	trans	-63.3	-39.2	174.4	-175.1	178.3	70.7	176.6	5.7	112.1	T407 E408 Q409 N414 P415 L422	T407-R411 WeakPolarHBondContact O-CB 3.38Å; T407-R411 PolarHBondContact O-N 2.82Å; E408-R411 PolarHBondContact O-N 3.23Å; E408-R411 IonicContact OE1-CZ 3.27Å; E408-R411 IonicContact OE1-NH1 3.07Å; E408-R411 PolarHBondContact OE1-NH1 3.12Å; E408-R411 IonicContact OE1-NH2 3.21Å; E408-R411 PolarHBondContact OE1-NH2 2.84Å; E408-R411 IonicContact OE2-CZ 3.17Å; E408-R411 IonicContact OE2-NE 2.68Å; E408-R411 IonicContact OE2-NH1 2.99Å; E408-R411 IonicContact OE2-NH2 2.85Å; E408-R411 PolarHBondContact OE2-NH2 3.05Å; Q409-R411 VanDerWaalsContact C-N 3.27Å; Q409-R411 PolarHBondContact O-N 3.17Å; R411-N414 CarbonylContact O-C 3.4Å; R411-P415 WeakPolarHBondContact O-CA 3.48Å; R411-L422 HydrophobicContact CB-CD1 3.92Å; R411-L422 HydrophobicContact CB-CD2 3.98Å; R411-L422 HydrophobicContact CG-CD1 4.04Å
412	L	97.1	Very high	97.1	Very high	122 Å²	122	43.7 Å²	43.7	64%	0.639	23%	0.228	S	C	*	.	H	α-helix	trans	-67.7	-37.5	176.1	-66.2	172.5	0	0	0	111.9	E408 Q409 L410	E408-L412 WeakPolarHBondContact O-CG 3.42Å; E408-L412 PolarHBondContact O-N 3.41Å; Q409-L412 WeakPolarHBondContact O-CB 3.25Å; Q409-L412 PolarHBondContact O-N 3.33Å; Q409-L412 VanDerWaalsContact O-N 3.16Å; L410-L412 VanDerWaalsContact C-N 3.33Å
413	I	97	Very high	97	Very high	42 Å²	42	43.7 Å²	43.7	22%	0.215	23%	0.228	C	C	.	.	H	α-helix	trans	-75.6	-37.3	-179.5	-64.9	167.6	0	0	0	111.4	Q409 L410 P415 L723 K727	Q409-I413 WeakPolarHBondContact O-CG1 3.07Å; Q409-I413 PolarHBondContact O-N 2.97Å; Q409-I413 VanDerWaalsContact O-N 3.09Å; L410-I413 PolarHBondContact O-N 3.02Å; I413-P415 WeakPolarHBondContact O-CD 2.89Å; I413-L723 HydrophobicContact CD1-CB 3.55Å; I413-L723 WeakPolarHBondContact CD1-O 3.23Å; I413-K727 HydrophobicContact CG2-CB 3.58Å; I413-K727 HydrophobicContact CG2-CG 3.9Å
414	N	96.7	Very high	97	Very high	5 Å²	5	43.9 Å²	43.9	3%	0.027	23%	0.229	C	C	.	.			trans	-126.3	71.1	-175.5	-61.9	-68.2	0	0	0	111.1	L410 R411 T416 W417 W726 H728	L410-N414 WeakPolarHBondContact O-CB 3.5Å; L410-N414 PolarHBondContact O-N 3.34Å; R411-N414 CarbonylContact O-C 3.4Å; N414-T416 PolarHBondContact O-N 3.03Å; N414-W417 HydrophobicContact CB-CB 4.31Å; N414-W417 HydrophobicContact CB-CD2 3.44Å; N414-W417 VanDerWaalsContact CB-CD2 3.44Å; N414-W417 VanDerWaalsContact CB-CE2 3.5Å; N414-W417 HydrophobicContact CB-CE3 3.96Å; N414-W417 HydrophobicContact CB-CG 3.6Å; N414-W417 HydrophobicContact CB-CZ2 4.08Å; N414-W417 HydrophobicContact CB-CZ3 4.45Å; N414-W417 VanDerWaalsContact CG-CE2 3.44Å; N414-W417 WeakPolarHBondContact ND2-CH2 3.48Å; N414-W417 WeakPolarHBondContact ND2-CZ2 3.49Å; N414-W417 WeakPolarHBondContact O-CB 3.49Å; N414-W417 PolarHBondContact O-N 3.03Å; N414-W726 PolarHBondContact ND2-O 3.28Å; N414-H728 PolarHBondContact OD1-N 2.6Å
415	P	95.5	Very high	97	Very high	107 Å²	107	43.3 Å²	43.3	70%	0.695	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-16.5	-173.5	25.3	-35.1	0	0	0	114.3	R411 I413	R411-P415 WeakPolarHBondContact O-CA 3.48Å; I413-P415 WeakPolarHBondContact O-CD 2.89Å
416	T	94.3	Very high	97	Very high	128 Å²	128	40.1 Å²	40.1	79%	0.785	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.8	-8	177.6	56.8	0	0	0	0	113.5	N414	N414-T416 PolarHBondContact O-N 3.03Å
417	W	95.1	Very high	97	Very high	19 Å²	19	40.6 Å²	40.6	7%	0.072	22%	0.215	C	C	.	.			trans	-71.5	131.1	180	-76.1	10.7	0	0	0	111.1	L410 N414 R421 L422 E425 H728	L410-W417 HydrophobicContact CB-CZ3 4.43Å; L410-W417 HydrophobicContact CD2-CZ3 4.28Å; N414-W417 HydrophobicContact CB-CB 4.31Å; N414-W417 HydrophobicContact CB-CD2 3.44Å; N414-W417 VanDerWaalsContact CB-CD2 3.44Å; N414-W417 VanDerWaalsContact CB-CE2 3.5Å; N414-W417 HydrophobicContact CB-CE3 3.96Å; N414-W417 HydrophobicContact CB-CG 3.6Å; N414-W417 HydrophobicContact CB-CZ2 4.08Å; N414-W417 HydrophobicContact CB-CZ3 4.45Å; N414-W417 VanDerWaalsContact CG-CE2 3.44Å; N414-W417 WeakPolarHBondContact ND2-CH2 3.48Å; N414-W417 WeakPolarHBondContact ND2-CZ2 3.49Å; N414-W417 WeakPolarHBondContact O-CB 3.49Å; N414-W417 PolarHBondContact O-N 3.03Å; W417-R421 HydrophobicContact CB-CB 4.32Å; W417-R421 HydrophobicContact CB-CG 4.44Å; W417-R421 HydrophobicContact CD2-CG 3.85Å; W417-R421 VanDerWaalsContact CE2-CZ 3.45Å; W417-R421 VanDerWaalsContact CE2-NE 3.29Å; W417-R421 HydrophobicContact CE3-CG 3.94Å; W417-R421 HydrophobicContact CG-CB 4.49Å; W417-R421 HydrophobicContact CG-CG 4.09Å; W417-R421 VanDerWaalsContact NE1-CZ 3.26Å; W417-L422 HydrophobicContact CB-CD2 4.24Å; W417-L422 HydrophobicContact CB-CG 4.15Å; W417-L422 HydrophobicContact CE3-CD2 3.88Å; W417-E425 HydrophobicContact CE3-CG 4.31Å; W417-E425 HydrophobicContact CH2-CB 4.46Å; W417-E425 HydrophobicContact CH2-CG 3.9Å; W417-E425 HydrophobicContact CZ3-CB 3.88Å; W417-E425 HydrophobicContact CZ3-CG 3.6Å; W417-H728 HydrophobicContact CZ2-CB 4.18Å
418	P	95.5	Very high	97	Very high	58 Å²	58	42.4 Å²	42.4	38%	0.377	22%	0.223	S	C	.	.			trans	-68	156.3	171.8	29.9	-35.2	0	0	0	110.7	L133 E420 R421 L422	L133-P418 HydrophobicContact CD1-CG 3.47Å; L133-P418 VanDerWaalsContact CD1-CG 3.47Å; P418-E420 PolarHBondContact O-N 2.74Å; P418-E420 VanDerWaalsContact O-N 3.09Å; P418-R421 HydrophobicContact CG-CB 4Å; P418-R421 PolarHBondContact O-N 2.89Å; P418-L422 PolarHBondContact O-N 3.49Å
419	P	96.5	Very high	97	Very high	45 Å²	45	39.4 Å²	39.4	29%	0.292	21%	0.209	S	C	.	.	H	α-helix	trans	-49.3	-37.6	178.4	-31.4	37.2	0	0	0	114.7	P346 K347 G349 R421 L422 F423	P346-P419 WeakPolarHBondContact O-CB 3.3Å; K347-P419 WeakPolarHBondContact O-CG 3.2Å; G349-P419 WeakPolarHBondContact CA-O 3.24Å; P419-R421 PolarHBondContact O-N 3.18Å; P419-L422 PolarHBondContact O-N 3.12Å; P419-F423 PolarHBondContact O-N 3.18Å
420	E	95.7	Very high	97.1	Very high	34 Å²	34	35.4 Å²	35.4	16%	0.159	19%	0.19	C	C	.	.	H	α-helix	trans	-63.6	-40.1	178.4	-165.3	61	-150.9	0	0	112.6	L133 F134 K344 P418 F423 L424	L133-E420 HydrophobicContact CB-CB 4.32Å; L133-E420 HydrophobicContact CB-CG 3.94Å; L133-E420 HydrophobicContact CD1-CB 4.46Å; L133-E420 VanDerWaalsContact O-CG 3.28Å; L133-E420 WeakPolarHBondContact O-CG 3.47Å; F134-E420 HydrophobicContact CE1-CG 4.24Å; K344-E420 IonicContact NZ-OE1 2.69Å; K344-E420 PolarHBondContact NZ-OE1 3.41Å; K344-E420 IonicContact NZ-OE2 3.13Å; K344-E420 PolarHBondContact NZ-OE2 2.91Å; P418-E420 PolarHBondContact O-N 2.74Å; P418-E420 VanDerWaalsContact O-N 3.09Å; E420-F423 PolarHBondContact O-N 2.96Å; E420-L424 HydrophobicContact CG-CD1 4.23Å; E420-L424 WeakPolarHBondContact O-CG 3.14Å; E420-L424 PolarHBondContact O-N 3.19Å
421	R	95.9	Very high	97.1	Very high	22 Å²	22	35.6 Å²	35.6	8%	0.083	19%	0.192	C	C	.	.	H	α-helix	trans	-67.5	-41.8	177	-174.3	169.6	-179	177.7	0.7	110.7	L133 W417 P418 P419 F423 L424 E425 H728	L133-R421 HydrophobicContact CD1-CB 3.93Å; L133-R421 HydrophobicContact CD2-CB 3.83Å; L133-R421 HydrophobicContact CD2-CG 4.08Å; W417-R421 HydrophobicContact CB-CB 4.32Å; W417-R421 HydrophobicContact CB-CG 4.44Å; W417-R421 HydrophobicContact CD2-CG 3.85Å; W417-R421 VanDerWaalsContact CE2-CZ 3.45Å; W417-R421 VanDerWaalsContact CE2-NE 3.29Å; W417-R421 HydrophobicContact CE3-CG 3.94Å; W417-R421 HydrophobicContact CG-CB 4.49Å; W417-R421 HydrophobicContact CG-CG 4.09Å; W417-R421 VanDerWaalsContact NE1-CZ 3.26Å; P418-R421 HydrophobicContact CG-CB 4Å; P418-R421 PolarHBondContact O-N 2.89Å; P419-R421 PolarHBondContact O-N 3.18Å; R421-F423 VanDerWaalsContact C-N 3.31Å; R421-F423 PolarHBondContact O-N 3.18Å; R421-L424 PolarHBondContact O-N 2.8Å; R421-E425 HydrophobicContact CG-CG 4.13Å; R421-E425 WeakPolarHBondContact O-CB 3.45Å; R421-E425 VanDerWaalsContact O-CG 3.28Å; R421-E425 WeakPolarHBondContact O-CG 3.47Å; R421-E425 PolarHBondContact O-N 3.31Å; R421-H728 PolarHBondContact NH2-CD2 2.77Å; R421-H728 VanDerWaalsContact NH2-CD2 3.34Å
422	L	97.9	Very high	97.2	Very high	4 Å²	4	31.1 Å²	31.1	2%	0.021	18%	0.176	C	C	.	.	H	α-helix	trans	-58.6	-44.4	176.1	-69.7	167.9	0	0	0	111.7	T407 L410 R411 W417 P418 P419 S426	T407-L422 HydrophobicContact CG2-CB 4.16Å; L410-L422 HydrophobicContact CB-CD2 3.85Å; R411-L422 HydrophobicContact CB-CD1 3.92Å; R411-L422 HydrophobicContact CB-CD2 3.98Å; R411-L422 HydrophobicContact CG-CD1 4.04Å; W417-L422 HydrophobicContact CB-CD2 4.24Å; W417-L422 HydrophobicContact CB-CG 4.15Å; W417-L422 HydrophobicContact CE3-CD2 3.88Å; P418-L422 PolarHBondContact O-N 3.49Å; P419-L422 PolarHBondContact O-N 3.12Å; L422-S426 VanDerWaalsContact O-CB 3.24Å; L422-S426 WeakPolarHBondContact O-CB 3.43Å; L422-S426 PolarHBondContact O-N 2.73Å; L422-S426 PolarHBondContact O-OG 2.65Å
423	F	98.1	Very high	97.3	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-61.7	-50.9	176	172.6	-102.9	0	0	0	112.2	M179 Y333 K344 G349 M351 H403 P419 E420 R421 S426 R427	M179-F423 HydrophobicContact CE-CE1 3.54Å; M179-F423 HydrophobicContact CE-CZ 3.99Å; Y333-F423 HydrophobicContact CD1-CE2 4.06Å; Y333-F423 HydrophobicContact CD1-CZ 4.12Å; Y333-F423 HydrophobicContact CE1-CE2 4.25Å; K344-F423 HydrophobicContact CB-CD2 4.48Å; K344-F423 HydrophobicContact CB-CE2 4.21Å; K344-F423 HydrophobicContact CD-CB 4.04Å; K344-F423 HydrophobicContact CD-CD1 3.73Å; K344-F423 HydrophobicContact CD-CD2 3.62Å; K344-F423 HydrophobicContact CD-CE1 4.02Å; K344-F423 HydrophobicContact CD-CE2 3.93Å; K344-F423 HydrophobicContact CD-CG 3.51Å; K344-F423 HydrophobicContact CD-CZ 4.13Å; K344-F423 HydrophobicContact CG-CD2 3.87Å; K344-F423 HydrophobicContact CG-CE2 4.09Å; K344-F423 HydrophobicContact CG-CG 4.25Å; G349-F423 WeakPolarHBondContact O-CA 3.2Å; G349-F423 WeakPolarHBondContact O-CB 3.45Å; G349-F423 WeakPolarHBondContact O-CD2 3.24Å; M351-F423 HydrophobicContact SD-CE2 3.8Å; H403-F423 AromaticContact CE1-CD2 3.6Å; H403-F423 AromaticContact CE1-CE2 3.94Å; H403-F423 AromaticContact NE2-CD2 3.73Å; P419-F423 PolarHBondContact O-N 3.18Å; E420-F423 PolarHBondContact O-N 2.96Å; R421-F423 VanDerWaalsContact C-N 3.31Å; R421-F423 PolarHBondContact O-N 3.18Å; F423-S426 PolarHBondContact O-N 3.21Å; F423-R427 WeakPolarHBondContact O-CB 3.41Å; F423-R427 PolarHBondContact O-N 3.28Å
424	L	97.5	Very high	97.4	Very high	4 Å²	4	23.3 Å²	23.3	2%	0.021	14%	0.135	C	C	.	.	H	α-helix	trans	-65.6	-40.4	-176.8	-70.9	173.6	0	0	0	112.6	L133 F172 Y176 E420 R421 R427 K428	L133-L424 HydrophobicContact CB-CD1 4.42Å; L133-L424 HydrophobicContact CD2-CD1 4.35Å; L133-L424 WeakPolarHBondContact O-CD1 3.26Å; F172-L424 HydrophobicContact CE2-CD1 4.19Å; Y176-L424 HydrophobicContact CD1-CB 3.81Å; Y176-L424 HydrophobicContact CD2-CB 4.45Å; Y176-L424 HydrophobicContact CD2-CD1 3.79Å; Y176-L424 HydrophobicContact CE1-CB 3.8Å; Y176-L424 HydrophobicContact CE2-CB 4.42Å; Y176-L424 HydrophobicContact CE2-CD1 3.98Å; Y176-L424 HydrophobicContact CG-CB 4.16Å; Y176-L424 HydrophobicContact CG-CD1 4.12Å; E420-L424 HydrophobicContact CG-CD1 4.23Å; E420-L424 WeakPolarHBondContact O-CG 3.14Å; E420-L424 PolarHBondContact O-N 3.19Å; R421-L424 PolarHBondContact O-N 2.8Å; L424-R427 PolarHBondContact O-N 2.9Å; L424-K428 VanDerWaalsContact O-CB 3.3Å; L424-K428 WeakPolarHBondContact O-CB 3.43Å; L424-K428 PolarHBondContact O-N 3Å
425	E	97.8	Very high	97.5	Very high	10 Å²	10	23.2 Å²	23.2	5%	0.047	13%	0.134	C	C	.	.	H	α-helix	trans	-68.2	-41.6	175.4	-66.3	-67.4	169.2	0	0	111.5	Y176 L410 W417 R421 R427 K428 I429	Y176-E425 HydrophobicContact CE1-CG 4.39Å; Y176-E425 WeakPolarHBondContact CE1-OE1 3.38Å; Y176-E425 PolarHBondContact OH-OE1 3.5Å; L410-E425 HydrophobicContact CD1-CB 4.17Å; W417-E425 HydrophobicContact CE3-CG 4.31Å; W417-E425 HydrophobicContact CH2-CB 4.46Å; W417-E425 HydrophobicContact CH2-CG 3.9Å; W417-E425 HydrophobicContact CZ3-CB 3.88Å; W417-E425 HydrophobicContact CZ3-CG 3.6Å; R421-E425 HydrophobicContact CG-CG 4.13Å; R421-E425 WeakPolarHBondContact O-CB 3.45Å; R421-E425 VanDerWaalsContact O-CG 3.28Å; R421-E425 WeakPolarHBondContact O-CG 3.47Å; R421-E425 PolarHBondContact O-N 3.31Å; E425-R427 PolarHBondContact O-N 3.19Å; E425-K428 WeakPolarHBondContact O-CB 3.28Å; E425-K428 PolarHBondContact O-N 3.21Å; E425-I429 WeakPolarHBondContact O-CG1 3.42Å; E425-I429 PolarHBondContact O-N 2.87Å
426	S	98.5	Very high	97.6	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-62.4	-44.1	174.8	-57.4	0	0	0	0	111.3	T407 L422 F423 K428 I429 I430	T407-S426 VanDerWaalsContact CA-OG 3.31Å; T407-S426 WeakPolarHBondContact CA-OG 3.49Å; T407-S426 PolarHBondContact N-OG 3.22Å; T407-S426 WeakPolarHBondContact OG1-CB 3.36Å; T407-S426 PolarHBondContact OG1-OG 2.74Å; L422-S426 VanDerWaalsContact O-CB 3.24Å; L422-S426 WeakPolarHBondContact O-CB 3.43Å; L422-S426 PolarHBondContact O-N 2.73Å; L422-S426 PolarHBondContact O-OG 2.65Å; F423-S426 PolarHBondContact O-N 3.21Å; S426-K428 VanDerWaalsContact C-N 3.35Å; S426-K428 PolarHBondContact O-N 3.13Å; S426-I429 PolarHBondContact O-N 3.19Å; S426-I430 VanDerWaalsContact O-CG1 3.28Å; S426-I430 WeakPolarHBondContact O-CG1 3.48Å; S426-I430 PolarHBondContact O-N 2.7Å
427	R	98.6	Very high	97.8	Very high	11 Å²	11	12 Å²	12	4%	0.042	6%	0.064	C	C	.	.	H	α-helix	trans	-58.3	-45.6	173.8	168.9	172.3	176	-123.3	1.9	111.7	R177 T178 M179 Y333 F423 L424 E425 I430 G431	R177-R427 PolarHBondContact O-NH1 2.58Å; T178-R427 PolarHBondContact O-NH2 2.82Å; M179-R427 PolarHBondContact SD-NH1 2.81Å; Y333-R427 HydrophobicContact CD1-CG 4.49Å; Y333-R427 HydrophobicContact CD2-CB 4.42Å; Y333-R427 HydrophobicContact CD2-CG 3.7Å; Y333-R427 HydrophobicContact CE1-CB 4.15Å; Y333-R427 HydrophobicContact CE1-CG 4.43Å; Y333-R427 HydrophobicContact CE2-CB 4.01Å; Y333-R427 HydrophobicContact CE2-CG 3.64Å; Y333-R427 HydrophobicContact CG-CG 4.17Å; F423-R427 WeakPolarHBondContact O-CB 3.41Å; F423-R427 PolarHBondContact O-N 3.28Å; L424-R427 PolarHBondContact O-N 2.9Å; E425-R427 PolarHBondContact O-N 3.19Å; R427-I430 PolarHBondContact O-N 3Å; R427-G431 PolarHBondContact O-N 2.62Å
428	K	98.5	Very high	98	Very high	37 Å²	37	11.1 Å²	11.1	16%	0.161	6%	0.06	C	C	.	.	H	α-helix	trans	-60.5	-45.2	178.7	-174.7	-177.9	174.2	179.2	0	111.8	L424 E425 S426 G431 A432 I671 F672	L424-K428 VanDerWaalsContact O-CB 3.3Å; L424-K428 WeakPolarHBondContact O-CB 3.43Å; L424-K428 PolarHBondContact O-N 3Å; E425-K428 WeakPolarHBondContact O-CB 3.28Å; E425-K428 PolarHBondContact O-N 3.21Å; S426-K428 VanDerWaalsContact C-N 3.35Å; S426-K428 PolarHBondContact O-N 3.13Å; K428-G431 PolarHBondContact O-N 3.2Å; K428-A432 PolarHBondContact O-N 3.24Å; K428-A432 VanDerWaalsContact O-N 3.15Å; K428-I671 VanDerWaalsContact CE-O 3.25Å; K428-I671 WeakPolarHBondContact CE-O 3.5Å; K428-I671 PolarHBondContact NZ-O 3.47Å; K428-F672 HydrophobicContact CD-CE1 4.16Å; K428-F672 HydrophobicContact CD-CZ 4.22Å; K428-F672 HydrophobicContact CG-CE1 4.07Å; K428-F672 HydrophobicContact CG-CZ 3.7Å
429	I	98.7	Very high	98.1	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-64.4	-44.3	176	-65.9	168.5	0	0	0	111	L406 L410 E425 S426 G431 A432 M433 L680 L723 W726	L406-I429 HydrophobicContact CD1-CB 4.15Å; L406-I429 HydrophobicContact CD1-CG2 3.66Å; L406-I429 HydrophobicContact CD2-CG2 4.21Å; L410-I429 HydrophobicContact CD1-CD1 4Å; E425-I429 WeakPolarHBondContact O-CG1 3.42Å; E425-I429 PolarHBondContact O-N 2.87Å; S426-I429 PolarHBondContact O-N 3.19Å; I429-G431 PolarHBondContact O-N 2.73Å; I429-A432 WeakPolarHBondContact O-CB 3.16Å; I429-A432 PolarHBondContact O-N 2.86Å; I429-M433 HydrophobicContact CG2-CE 3.66Å; I429-M433 HydrophobicContact CG2-CG 4.35Å; I429-M433 HydrophobicContact CG2-SD 4.16Å; I429-M433 WeakPolarHBondContact O-CG 3.39Å; I429-M433 PolarHBondContact O-N 3.07Å; I429-L680 HydrophobicContact CG2-CD2 4.22Å; I429-L723 HydrophobicContact CD1-CD2 4.32Å; I429-W726 HydrophobicContact CD1-CD2 4.24Å; I429-W726 HydrophobicContact CD1-CG 4.32Å; I429-W726 HydrophobicContact CD1-CZ2 4.29Å; I429-W726 HydrophobicContact CG1-CZ2 4.06Å
430	I	98.8	Very high	98.2	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-61.3	-43.5	178.3	-70.8	-72.1	0	0	0	111.6	Y333 F399 E402 H403 L406 S426 R427 A432 M433 I434	Y333-I430 HydrophobicContact CE2-CB 4.33Å; Y333-I430 HydrophobicContact CE2-CG2 3.96Å; Y333-I430 VanDerWaalsContact OH-CB 3.25Å; Y333-I430 WeakPolarHBondContact OH-CB 3.44Å; Y333-I430 VanDerWaalsContact OH-CG1 3.31Å; Y333-I430 WeakPolarHBondContact OH-CG1 3.46Å; Y333-I430 WeakPolarHBondContact OH-CG2 3.44Å; F399-I430 HydrophobicContact CD1-CD1 4.42Å; F399-I430 HydrophobicContact CD1-CG2 4.17Å; E402-I430 HydrophobicContact CB-CD1 3.87Å; E402-I430 HydrophobicContact CG-CD1 3.6Å; H403-I430 HydrophobicContact CB-CD1 4.48Å; H403-I430 HydrophobicContact CB-CG1 4.23Å; L406-I430 HydrophobicContact CD1-CD1 3.69Å; L406-I430 HydrophobicContact CD1-CG1 3.82Å; S426-I430 VanDerWaalsContact O-CG1 3.28Å; S426-I430 WeakPolarHBondContact O-CG1 3.48Å; S426-I430 PolarHBondContact O-N 2.7Å; R427-I430 PolarHBondContact O-N 3Å; I430-A432 VanDerWaalsContact C-N 3.31Å; I430-A432 PolarHBondContact O-N 3.21Å; I430-M433 HydrophobicContact CD1-SD 3.95Å; I430-M433 WeakPolarHBondContact O-CB 3.24Å; I430-M433 PolarHBondContact O-N 3.13Å; I430-I434 HydrophobicContact CG2-CD1 4.04Å; I430-I434 WeakPolarHBondContact O-CG1 3.11Å; I430-I434 PolarHBondContact O-N 2.86Å
431	G	98.7	Very high	98.4	Very high	3 Å²	3	11 Å²	11	3%	0.031	5%	0.049	C	C	.	.	H	α-helix	trans	-57.3	-45.4	174.1	0	0	0	0	0	111.8	R427 K428 I429 M433 I434 Q435	R427-G431 PolarHBondContact O-N 2.62Å; K428-G431 PolarHBondContact O-N 3.2Å; I429-G431 PolarHBondContact O-N 2.73Å; G431-M433 PolarHBondContact O-N 3.33Å; G431-I434 PolarHBondContact O-N 3.48Å; G431-Q435 WeakPolarHBondContact O-CG 3.47Å; G431-Q435 PolarHBondContact O-N 3.07Å
432	A	98.8	Very high	98.5	Very high	3 Å²	3	10 Å²	10	3%	0.025	5%	0.045	C	C	.	.	H	α-helix	trans	-62.5	-41.2	175.4	0	0	0	0	0	112.9	K428 I429 I430 I434 Q435 V436 Y666 F672 L680	K428-A432 PolarHBondContact O-N 3.24Å; K428-A432 VanDerWaalsContact O-N 3.15Å; I429-A432 WeakPolarHBondContact O-CB 3.16Å; I429-A432 PolarHBondContact O-N 2.86Å; I430-A432 VanDerWaalsContact C-N 3.31Å; I430-A432 PolarHBondContact O-N 3.21Å; A432-I434 VanDerWaalsContact C-N 3.34Å; A432-I434 PolarHBondContact O-N 3.18Å; A432-Q435 WeakPolarHBondContact O-CB 3.45Å; A432-Q435 PolarHBondContact O-N 3.23Å; A432-V436 VanDerWaalsContact O-CG2 3.29Å; A432-V436 WeakPolarHBondContact O-CG2 3.47Å; A432-V436 PolarHBondContact O-N 2.76Å; A432-Y666 HydrophobicContact CB-CG 4.45Å; A432-F672 HydrophobicContact CB-CE2 3.68Å; A432-F672 HydrophobicContact CB-CZ 3.79Å; A432-L680 HydrophobicContact CB-CD1 3.92Å; A432-L680 HydrophobicContact CB-CD2 3.86Å; A432-L680 HydrophobicContact CB-CG 4.48Å
433	M	98.7	Very high	98.5	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-59.9	-42.3	175.1	-71.2	172.5	168.7	0	0	112.2	E402 L406 I429 I430 G431 Q435 V436 I437 F683 I721	E402-M433 HydrophobicContact CG-CE 4.43Å; E402-M433 HydrophobicContact CG-SD 4Å; L406-M433 HydrophobicContact CD1-CE 3.94Å; L406-M433 HydrophobicContact CD1-SD 4.16Å; L406-M433 HydrophobicContact CD2-CE 4.13Å; I429-M433 HydrophobicContact CG2-CE 3.66Å; I429-M433 HydrophobicContact CG2-CG 4.35Å; I429-M433 HydrophobicContact CG2-SD 4.16Å; I429-M433 WeakPolarHBondContact O-CG 3.39Å; I429-M433 PolarHBondContact O-N 3.07Å; I430-M433 HydrophobicContact CD1-SD 3.95Å; I430-M433 WeakPolarHBondContact O-CB 3.24Å; I430-M433 PolarHBondContact O-N 3.13Å; G431-M433 PolarHBondContact O-N 3.33Å; M433-Q435 VanDerWaalsContact C-N 3.35Å; M433-V436 PolarHBondContact O-N 2.82Å; M433-I437 VanDerWaalsContact O-CG1 3.3Å; M433-I437 WeakPolarHBondContact O-CG1 3.43Å; M433-I437 PolarHBondContact O-N 2.82Å; M433-F683 HydrophobicContact CB-CD1 3.72Å; M433-F683 HydrophobicContact CB-CE1 3.68Å; M433-F683 HydrophobicContact CB-CZ 4.48Å; M433-F683 HydrophobicContact CE-CD2 3.78Å; M433-F683 HydrophobicContact CE-CE1 4.31Å; M433-F683 HydrophobicContact CE-CE2 3.49Å; M433-F683 VanDerWaalsContact CE-CE2 3.49Å; M433-F683 HydrophobicContact CE-CG 4.29Å; M433-F683 HydrophobicContact CE-CZ 3.78Å; M433-F683 HydrophobicContact CG-CD1 3.57Å; M433-F683 HydrophobicContact CG-CD2 4.37Å; M433-F683 HydrophobicContact CG-CE1 3.63Å; M433-F683 HydrophobicContact CG-CE2 4.41Å; M433-F683 HydrophobicContact CG-CG 3.95Å; M433-F683 HydrophobicContact CG-CZ 4.06Å; M433-F683 HydrophobicContact SD-CD1 4.19Å; M433-F683 HydrophobicContact SD-CD2 4.4Å; M433-F683 HydrophobicContact SD-CE1 3.69Å; M433-F683 HydrophobicContact SD-CE2 3.92Å; M433-F683 HydrophobicContact SD-CZ 3.53Å; M433-F683 VanDerWaalsContact SD-CZ 3.53Å; M433-I721 HydrophobicContact CE-CD1 3.36Å
434	I	98.9	Very high	98.5	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-62.4	-44.6	175.9	-66.6	166.2	0	0	0	110	F253 I254 L327 F399 I430 G431 A432 T438	F253-I434 HydrophobicContact CE1-CD1 3.93Å; F253-I434 HydrophobicContact CE1-CG1 4.16Å; F253-I434 HydrophobicContact CZ-CD1 4.15Å; I254-I434 HydrophobicContact CG2-CG2 4.28Å; L327-I434 HydrophobicContact CB-CG2 4.27Å; L327-I434 HydrophobicContact CD2-CG2 4.38Å; F399-I434 HydrophobicContact CD1-CD1 4.46Å; F399-I434 HydrophobicContact CD1-CG1 4.22Å; F399-I434 HydrophobicContact CE1-CD1 4.27Å; F399-I434 HydrophobicContact CE1-CG1 3.57Å; F399-I434 HydrophobicContact CZ-CG1 3.77Å; I430-I434 HydrophobicContact CG2-CD1 4.04Å; I430-I434 WeakPolarHBondContact O-CG1 3.11Å; I430-I434 PolarHBondContact O-N 2.86Å; G431-I434 PolarHBondContact O-N 3.48Å; A432-I434 VanDerWaalsContact C-N 3.34Å; A432-I434 PolarHBondContact O-N 3.18Å; I434-T438 VanDerWaalsContact O-CB 3.26Å; I434-T438 WeakPolarHBondContact O-CB 3.48Å; I434-T438 PolarHBondContact O-N 2.68Å; I434-T438 PolarHBondContact O-OG1 3.4Å
435	Q	98.8	Very high	98.6	Very high	2 Å²	2	12 Å²	12	1%	0.009	6%	0.057	C	C	.	.	H	α-helix	trans	-61.7	-46.3	177.1	-69.3	177.1	1.1	0	0	112.3	R177 L327 G431 A432 M433 T438 Y439 D662 W665 Y666	R177-Q435 VanDerWaalsContact NH2-NE2 3.14Å; L327-Q435 HydrophobicContact CB-CG 3.9Å; L327-Q435 WeakPolarHBondContact O-CG 3.41Å; L327-Q435 PolarHBondContact O-NE2 3.25Å; G431-Q435 WeakPolarHBondContact O-CG 3.47Å; G431-Q435 PolarHBondContact O-N 3.07Å; A432-Q435 WeakPolarHBondContact O-CB 3.45Å; A432-Q435 PolarHBondContact O-N 3.23Å; M433-Q435 VanDerWaalsContact C-N 3.35Å; Q435-T438 PolarHBondContact O-N 3.38Å; Q435-Y439 WeakPolarHBondContact O-CD2 3.18Å; Q435-Y439 PolarHBondContact O-N 3.35Å; Q435-D662 PolarHBondContact NE2-OD2 3.19Å; Q435-W665 HydrophobicContact CB-CE3 4.29Å; Q435-W665 HydrophobicContact CB-CH2 4.08Å; Q435-W665 HydrophobicContact CB-CZ3 3.65Å; Q435-W665 HydrophobicContact CG-CE3 4.09Å; Q435-W665 HydrophobicContact CG-CZ3 3.75Å; Q435-Y666 HydrophobicContact CB-CD1 3.58Å; Q435-Y666 HydrophobicContact CB-CE1 4.01Å
436	V	98.7	Very high	98.6	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-58.4	-55.3	177.1	170.1	0	0	0	0	110.5	A432 M433 T438 Y439 K440 Y666	A432-V436 VanDerWaalsContact O-CG2 3.29Å; A432-V436 WeakPolarHBondContact O-CG2 3.47Å; A432-V436 PolarHBondContact O-N 2.76Å; M433-V436 PolarHBondContact O-N 2.82Å; V436-T438 VanDerWaalsContact C-N 3.25Å; V436-T438 PolarHBondContact O-N 2.83Å; V436-Y439 PolarHBondContact O-N 3.26Å; V436-K440 HydrophobicContact CG1-CD 4.32Å; V436-K440 WeakPolarHBondContact O-CB 3.38Å; V436-K440 PolarHBondContact O-N 2.77Å; V436-Y666 HydrophobicContact CG2-CD1 4.34Å; V436-Y666 HydrophobicContact CG2-CD2 3.87Å; V436-Y666 HydrophobicContact CG2-CE1 3.94Å; V436-Y666 HydrophobicContact CG2-CE2 3.45Å; V436-Y666 VanDerWaalsContact CG2-CE2 3.45Å; V436-Y666 HydrophobicContact CG2-CG 4.29Å; V436-Y666 VanDerWaalsContact CG2-CZ 3.49Å
437	I	98.8	Very high	98.6	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.055	C	C	.	.	I	π-helix	trans	-59	-41.4	-179.4	-65.6	166.1	0	0	0	110.4	F250 M433 E441 W442 F683 I685 F704	F250-I437 HydrophobicContact CD1-CG2 4.38Å; F250-I437 HydrophobicContact CD2-CG2 4.43Å; F250-I437 HydrophobicContact CE1-CB 4.46Å; F250-I437 HydrophobicContact CE1-CG2 3.69Å; F250-I437 HydrophobicContact CE2-CB 4.4Å; F250-I437 HydrophobicContact CE2-CG2 3.77Å; F250-I437 HydrophobicContact CZ-CB 3.84Å; F250-I437 HydrophobicContact CZ-CG2 3.35Å; M433-I437 VanDerWaalsContact O-CG1 3.3Å; M433-I437 WeakPolarHBondContact O-CG1 3.43Å; M433-I437 PolarHBondContact O-N 2.82Å; I437-E441 WeakPolarHBondContact O-CA 3.4Å; I437-E441 WeakPolarHBondContact O-CB 3.35Å; I437-E441 PolarHBondContact O-N 2.8Å; I437-W442 PolarHBondContact O-N 2.77Å; I437-F683 HydrophobicContact CD1-CD1 4.02Å; I437-F683 HydrophobicContact CD1-CE1 3.81Å; I437-F683 HydrophobicContact CG1-CD1 4.3Å; I437-I685 HydrophobicContact CD1-CB 4.26Å; I437-I685 HydrophobicContact CD1-CD1 3.97Å; I437-I685 HydrophobicContact CG1-CB 4.47Å; I437-I685 HydrophobicContact CG2-CB 4.01Å; I437-I685 HydrophobicContact CG2-CD1 4.28Å; I437-F704 HydrophobicContact CG2-CE2 4.05Å; I437-F704 HydrophobicContact CG2-CZ 4.11Å
438	T	98.9	Very high	98.5	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.059	C	C	.	.	I	π-helix	trans	-64.2	-50.6	-177.5	-58.7	0	0	0	0	112.3	I254 L327 I434 Q435 V436 W442 L443 F655	I254-T438 HydrophobicContact CD1-CG2 3.88Å; L327-T438 HydrophobicContact CD1-CG2 3.79Å; I434-T438 VanDerWaalsContact O-CB 3.26Å; I434-T438 WeakPolarHBondContact O-CB 3.48Å; I434-T438 PolarHBondContact O-N 2.68Å; I434-T438 PolarHBondContact O-OG1 3.4Å; Q435-T438 PolarHBondContact O-N 3.38Å; V436-T438 VanDerWaalsContact C-N 3.25Å; V436-T438 PolarHBondContact O-N 2.83Å; T438-W442 HydrophobicContact CG2-CE3 4.48Å; T438-W442 PolarHBondContact O-N 2.91Å; T438-L443 HydrophobicContact CG2-CD1 4.28Å; T438-L443 HydrophobicContact CG2-CG 4.22Å; T438-L443 WeakPolarHBondContact O-CB 3.47Å; T438-L443 WeakPolarHBondContact O-CG 3.32Å; T438-L443 PolarHBondContact O-N 3.47Å; T438-F655 HydrophobicContact CG2-CD1 4.25Å; T438-F655 HydrophobicContact CG2-CE1 3.63Å; T438-F655 HydrophobicContact CG2-CZ 4.36Å
439	Y	98.7	Very high	98.4	Very high	9 Å²	9	15.4 Å²	15.4	4%	0.035	8%	0.08	C	C	.	.	I	π-helix	trans	-86.4	-29.7	-174.1	-74.8	-107.3	0	0	0	113.4	L327 Q435 V436 L443 P444 Y451 F655 R659 W665	L327-Y439 HydrophobicContact CD1-CD2 4.41Å; L327-Y439 HydrophobicContact CD1-CE2 3.7Å; Q435-Y439 WeakPolarHBondContact O-CD2 3.18Å; Q435-Y439 PolarHBondContact O-N 3.35Å; V436-Y439 PolarHBondContact O-N 3.26Å; Y439-L443 HydrophobicContact CD1-CD1 3.7Å; Y439-L443 HydrophobicContact CD2-CD1 4.19Å; Y439-L443 HydrophobicContact CE1-CD1 3.88Å; Y439-L443 HydrophobicContact CE2-CD1 4.35Å; Y439-L443 HydrophobicContact CG-CD1 3.88Å; Y439-P444 WeakPolarHBondContact O-CD 3.08Å; Y439-Y451 PolarHBondContact O-OH 3.14Å; Y439-F655 HydrophobicContact CE1-CB 4.25Å; Y439-F655 HydrophobicContact CE2-CD1 4.11Å; Y439-F655 AromaticContact CZ-CD1 3.89Å; Y439-F655 PolarHBondContact OH-O 2.87Å; Y439-R659 HydrophobicContact CE1-CB 3.82Å; Y439-R659 HydrophobicContact CE1-CG 4.27Å; Y439-R659 PolarHBondContact OH-N 2.92Å; Y439-W665 HydrophobicContact CD1-CH2 4.05Å; Y439-W665 AromaticContact CD2-CH2 3.36Å; Y439-W665 HydrophobicContact CD2-CH2 3.36Å; Y439-W665 AromaticContact CD2-CZ3 3.78Å; Y439-W665 HydrophobicContact CD2-CZ3 3.78Å; Y439-W665 HydrophobicContact CE1-CH2 4.25Å; Y439-W665 AromaticContact CE2-CH2 3.58Å; Y439-W665 HydrophobicContact CE2-CH2 3.58Å; Y439-W665 AromaticContact CE2-CZ3 3.54Å; Y439-W665 HydrophobicContact CE2-CZ3 3.54Å; Y439-W665 AromaticContact CG-CH2 3.59Å; Y439-W665 HydrophobicContact CG-CH2 3.59Å; Y439-W665 HydrophobicContact CG-CZ2 4.4Å; Y439-W665 HydrophobicContact CG-CZ3 4.41Å
440	K	98.1	Very high	98.4	Very high	108 Å²	108	18.8 Å²	18.8	47%	0.47	9%	0.093	S	C	.	.	I	π-helix	trans	-88.1	-35.7	-178.1	-164.5	173.2	-173.7	160.5	0	112.9	V436 E681	V436-K440 HydrophobicContact CG1-CD 4.32Å; V436-K440 WeakPolarHBondContact O-CB 3.38Å; V436-K440 PolarHBondContact O-N 2.77Å; K440-E681 PolarHBondContact NZ-O 3.35Å; K440-E681 IonicContact NZ-OE2 2.77Å; K440-E681 PolarHBondContact NZ-OE2 2.85Å
441	E	98.5	Very high	98.3	Very high	17 Å²	17	20 Å²	20	8%	0.079	10%	0.098	C	C	.	.	I	π-helix	trans	-113.1	-45.4	-172.4	-60.8	-173.2	90.5	0	0	113.5	I437 K445 T684 I685 F704	I437-E441 WeakPolarHBondContact O-CA 3.4Å; I437-E441 WeakPolarHBondContact O-CB 3.35Å; I437-E441 PolarHBondContact O-N 2.8Å; E441-K445 WeakPolarHBondContact O-CD 3.49Å; E441-K445 WeakPolarHBondContact O-CG 3.3Å; E441-K445 PolarHBondContact O-NZ 3.13Å; E441-T684 WeakPolarHBondContact OE2-CA 3.45Å; E441-I685 PolarHBondContact OE2-N 2.91Å; E441-F704 HydrophobicContact CB-CD2 3.9Å; E441-F704 HydrophobicContact CB-CE2 3.76Å
442	W	98.7	Very high	98.3	Very high	3 Å²	3	27 Å²	27	1%	0.011	13%	0.129	C	C	.	.	I	π-helix	trans	-83	-57	-170.8	-173.1	88.4	0	0	0	113.4	L247 F250 I254 I437 T438 K445 I446 M478 F480 F655 F704	L247-W442 VanDerWaalsContact CD1-CD1 3.45Å; L247-W442 HydrophobicContact CD1-CG 4.25Å; L247-W442 PolarHBondContact O-NE1 3.42Å; F250-W442 HydrophobicContact CD1-CB 4.06Å; F250-W442 AromaticContact CD1-CD1 3.57Å; F250-W442 AromaticContact CD1-CG 3.83Å; F250-W442 HydrophobicContact CD1-CG 3.83Å; F250-W442 HydrophobicContact CE1-CB 4.11Å; F250-W442 HydrophobicContact CE1-CG 4.26Å; I254-W442 HydrophobicContact CD1-CD2 3.94Å; I254-W442 HydrophobicContact CD1-CE3 3.68Å; I254-W442 HydrophobicContact CD1-CH2 4.05Å; I254-W442 HydrophobicContact CD1-CZ2 4.26Å; I254-W442 HydrophobicContact CD1-CZ3 3.74Å; I437-W442 PolarHBondContact O-N 2.77Å; T438-W442 HydrophobicContact CG2-CE3 4.48Å; T438-W442 PolarHBondContact O-N 2.91Å; W442-K445 WeakPolarHBondContact O-CB 3.49Å; W442-K445 PolarHBondContact O-N 3.45Å; W442-I446 HydrophobicContact CD2-CG1 3.9Å; W442-I446 HydrophobicContact CE3-CG1 3.92Å; W442-I446 HydrophobicContact CH2-CD1 4.37Å; W442-I446 HydrophobicContact CH2-CG1 3.67Å; W442-I446 HydrophobicContact CZ2-CD1 3.88Å; W442-I446 HydrophobicContact CZ2-CG1 3.64Å; W442-I446 HydrophobicContact CZ3-CG1 3.82Å; W442-I446 PolarHBondContact O-N 3.38Å; W442-M478 HydrophobicContact CH2-CE 3.76Å; W442-M478 HydrophobicContact CH2-SD 4.47Å; W442-M478 HydrophobicContact CZ3-CE 4.31Å; W442-F480 HydrophobicContact CH2-CE1 4.26Å; W442-F480 HydrophobicContact CH2-CZ 4.02Å; W442-F480 HydrophobicContact CZ2-CZ 4.03Å; W442-F655 HydrophobicContact CZ3-CE2 4.09Å; W442-F655 AromaticContact CZ3-CZ 3.99Å; W442-F655 HydrophobicContact CZ3-CZ 3.99Å; W442-F704 HydrophobicContact CB-CE2 4.08Å; W442-F704 HydrophobicContact CB-CZ 4.35Å
443	L	98.5	Very high	98.2	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-56.6	-42.6	-176.3	-78.4	173.7	0	0	0	114.1	T438 Y439 K445 I446 L447 Y451 I455 I651 F655	T438-L443 HydrophobicContact CG2-CD1 4.28Å; T438-L443 HydrophobicContact CG2-CG 4.22Å; T438-L443 WeakPolarHBondContact O-CB 3.47Å; T438-L443 WeakPolarHBondContact O-CG 3.32Å; T438-L443 PolarHBondContact O-N 3.47Å; Y439-L443 HydrophobicContact CD1-CD1 3.7Å; Y439-L443 HydrophobicContact CD2-CD1 4.19Å; Y439-L443 HydrophobicContact CE1-CD1 3.88Å; Y439-L443 HydrophobicContact CE2-CD1 4.35Å; Y439-L443 HydrophobicContact CG-CD1 3.88Å; L443-K445 PolarHBondContact O-N 2.82Å; L443-I446 PolarHBondContact O-N 3.36Å; L443-L447 PolarHBondContact O-N 2.81Å; L443-Y451 HydrophobicContact CB-CD2 4.11Å; L443-Y451 HydrophobicContact CB-CE2 3.65Å; L443-I455 HydrophobicContact CD1-CD1 3.89Å; L443-I651 HydrophobicContact CD2-CG2 4.26Å; L443-F655 HydrophobicContact CD1-CB 3.85Å; L443-F655 HydrophobicContact CD1-CD1 3.69Å; L443-F655 HydrophobicContact CD1-CD2 4.31Å; L443-F655 HydrophobicContact CD1-CE1 4.3Å; L443-F655 HydrophobicContact CD1-CG 3.69Å; L443-F655 HydrophobicContact CD2-CB 4.4Å; L443-F655 HydrophobicContact CD2-CD1 4.16Å; L443-F655 HydrophobicContact CD2-CD2 3.49Å; L443-F655 VanDerWaalsContact CD2-CD2 3.49Å; L443-F655 HydrophobicContact CD2-CE1 4.3Å; L443-F655 HydrophobicContact CD2-CE2 3.66Å; L443-F655 HydrophobicContact CD2-CG 3.76Å; L443-F655 HydrophobicContact CD2-CZ 4.06Å; L443-F655 HydrophobicContact CG-CD1 4.36Å; L443-F655 HydrophobicContact CG-CD2 4.49Å; L443-F655 HydrophobicContact CG-CG 4.32Å
444	P	98.4	Very high	98.2	Very high	37 Å²	37	32.3 Å²	32.3	24%	0.24	16%	0.164	C	C	.	.	H	α-helix	trans	-57.9	-33.7	176.6	-25.8	35.2	0	0	0	113.1	Y439 I446 G448 Y451	Y439-P444 WeakPolarHBondContact O-CD 3.08Å; P444-I446 VanDerWaalsContact C-N 3.34Å; P444-G448 WeakPolarHBondContact O-CA 3.29Å; P444-G448 PolarHBondContact O-N 3.08Å; P444-Y451 HydrophobicContact CB-CD1 4.23Å; P444-Y451 HydrophobicContact CB-CD2 4.24Å; P444-Y451 HydrophobicContact CB-CG 4.06Å; P444-Y451 HydrophobicContact CG-CD1 3.97Å; P444-Y451 HydrophobicContact CG-CD2 3.95Å; P444-Y451 HydrophobicContact CG-CE1 3.88Å; P444-Y451 HydrophobicContact CG-CE2 3.87Å; P444-Y451 HydrophobicContact CG-CG 4.03Å
445	K	98.1	Very high	98.1	Very high	13 Å²	13	32.5 Å²	32.5	6%	0.057	17%	0.165	C	C	.	.	H	α-helix	trans	-74.1	-25.4	178.6	-63.1	178.8	170.6	87.4	0	112.9	W243 L247 E441 W442 L443 D702 F704	W243-K445 HydrophobicContact CD2-CD 3.78Å; W243-K445 HydrophobicContact CD2-CG 4.18Å; W243-K445 HydrophobicContact CE3-CD 3.81Å; W243-K445 HydrophobicContact CE3-CG 4.49Å; W243-K445 HydrophobicContact CG-CD 4.35Å; W243-K445 HydrophobicContact CH2-CD 4.22Å; W243-K445 HydrophobicContact CH2-CG 4.19Å; W243-K445 HydrophobicContact CZ2-CD 4.18Å; W243-K445 HydrophobicContact CZ2-CG 3.82Å; W243-K445 HydrophobicContact CZ3-CD 4.04Å; L247-K445 HydrophobicContact CD1-CB 4.1Å; L247-K445 HydrophobicContact CD1-CD 3.8Å; L247-K445 HydrophobicContact CD2-CB 4.31Å; E441-K445 WeakPolarHBondContact O-CD 3.49Å; E441-K445 WeakPolarHBondContact O-CG 3.3Å; E441-K445 PolarHBondContact O-NZ 3.13Å; W442-K445 WeakPolarHBondContact O-CB 3.49Å; W442-K445 PolarHBondContact O-N 3.45Å; L443-K445 PolarHBondContact O-N 2.82Å; K445-D702 WeakPolarHBondContact CE-OD1 3.25Å; K445-D702 WeakPolarHBondContact CE-OD2 3.48Å; K445-D702 IonicContact NZ-OD1 3.18Å; K445-D702 PolarHBondContact NZ-OD1 3.35Å; K445-D702 IonicContact NZ-OD2 2.68Å; K445-D702 PolarHBondContact NZ-OD2 3.13Å; K445-F704 HydrophobicContact CD-CB 3.74Å; K445-F704 HydrophobicContact CD-CD2 4.2Å; K445-F704 HydrophobicContact CD-CG 4.28Å
446	I	98.4	Very high	98	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-81.6	-46.5	176.1	-55.3	-49.1	0	0	0	110.8	L247 W442 L443 P444 F480 G641 L642 V643 I651	L247-I446 HydrophobicContact CD2-CD1 4.17Å; L247-I446 HydrophobicContact CG-CD1 4.38Å; W442-I446 HydrophobicContact CD2-CG1 3.9Å; W442-I446 HydrophobicContact CE3-CG1 3.92Å; W442-I446 HydrophobicContact CH2-CD1 4.37Å; W442-I446 HydrophobicContact CH2-CG1 3.67Å; W442-I446 HydrophobicContact CZ2-CD1 3.88Å; W442-I446 HydrophobicContact CZ2-CG1 3.64Å; W442-I446 HydrophobicContact CZ3-CG1 3.82Å; W442-I446 PolarHBondContact O-N 3.38Å; L443-I446 PolarHBondContact O-N 3.36Å; P444-I446 VanDerWaalsContact C-N 3.34Å; I446-F480 HydrophobicContact CD1-CE2 4.06Å; I446-F480 HydrophobicContact CD1-CZ 3.89Å; I446-F480 HydrophobicContact CG1-CZ 4.14Å; I446-F480 HydrophobicContact CG2-CE1 4.17Å; I446-F480 HydrophobicContact CG2-CE2 4.12Å; I446-F480 HydrophobicContact CG2-CZ 3.6Å; I446-G641 WeakPolarHBondContact O-CA 3.35Å; I446-L642 HydrophobicContact CD1-CD1 4Å; I446-L642 PolarHBondContact O-N 3.49Å; I446-V643 HydrophobicContact CG2-CG1 4.07Å; I446-V643 HydrophobicContact CG2-CG2 4.02Å; I446-I651 HydrophobicContact CG2-CD1 4.38Å
447	L	98.5	Very high	98	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-88.7	-12.3	-173.2	-59	-176	0	0	0	114.1	L443 R450 Y451 I455 V638 V643 A648 I651	L443-L447 PolarHBondContact O-N 2.81Å; L447-R450 PolarHBondContact O-N 3.45Å; L447-Y451 HydrophobicContact CB-CD2 4.41Å; L447-Y451 HydrophobicContact CD1-CD2 4.06Å; L447-I455 HydrophobicContact CD1-CD1 3.68Å; L447-I455 HydrophobicContact CD1-CG1 4.19Å; L447-V638 VanDerWaalsContact O-CG2 3.27Å; L447-V638 WeakPolarHBondContact O-CG2 3.4Å; L447-V643 HydrophobicContact CD2-CG2 4.47Å; L447-A648 HydrophobicContact CD2-CB 3.89Å; L447-I651 HydrophobicContact CD2-CB 4.42Å; L447-I651 HydrophobicContact CD2-CG2 4.23Å
448	G	97.3	Very high	97.9	Very high	12 Å²	12	42.2 Å²	42.2	12%	0.124	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	56.3	-138.8	177.4	0	0	0	0	0	112.7	P444 R450 Y451 D640	P444-G448 WeakPolarHBondContact O-CA 3.29Å; P444-G448 PolarHBondContact O-N 3.08Å; G448-R450 PolarHBondContact O-N 3.07Å; G448-Y451 WeakPolarHBondContact O-CB 3.48Å; G448-Y451 PolarHBondContact O-N 3.14Å; G448-D640 VanDerWaalsContact CA-C 3.45Å; G448-D640 WeakPolarHBondContact CA-O 3.45Å
449	I	96.7	Very high	97.9	Very high	117 Å²	117	48.6 Å²	48.6	60%	0.6	26%	0.262	S	S	*	.	G	3₁₀ helix	trans	-58.6	-21.9	-179.7	-161.2	165.6	0	0	0	113.4	Y451 I639	I449-Y451 VanDerWaalsContact C-N 3.31Å; I449-Y451 PolarHBondContact O-N 3.48Å; I449-I639 HydrophobicContact CG2-CB 3.93Å; I449-I639 PolarHBondContact N-O 3.25Å
450	R	96.8	Very high	97.8	Very high	70 Å²	70	49.2 Å²	49.2	26%	0.264	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-79.6	-11.7	-179.8	-61.1	-168.3	71.9	-168.1	1.4	113.3	L447 G448 H452 S453 L454 V638 P645	L447-R450 PolarHBondContact O-N 3.45Å; G448-R450 PolarHBondContact O-N 3.07Å; R450-H452 PolarHBondContact O-N 2.84Å; R450-S453 PolarHBondContact O-N 3.14Å; R450-S453 VanDerWaalsContact O-N 3.08Å; R450-S453 PolarHBondContact O-OG 3.17Å; R450-L454 HydrophobicContact CB-CD1 3.69Å; R450-L454 HydrophobicContact CB-CG 4.11Å; R450-L454 WeakPolarHBondContact O-CB 3.42Å; R450-L454 WeakPolarHBondContact O-CG 3.49Å; R450-L454 PolarHBondContact O-N 2.72Å; R450-V638 HydrophobicContact CG-CB 4.29Å; R450-V638 HydrophobicContact CG-CG1 4.34Å; R450-V638 HydrophobicContact CG-CG2 4.42Å; R450-P645 PolarHBondContact NH1-O 2.86Å; R450-P645 VanDerWaalsContact NH1-O 3.17Å
451	Y	98.4	Very high	97.8	Very high	27 Å²	27	46.6 Å²	46.6	11%	0.106	26%	0.259	C	S	.	.	H	α-helix	trans	-48.3	-56.6	-174.1	177.4	-103.2	0	0	0	113.2	Y439 L443 P444 L447 G448 I449 S453 L454 I455	Y439-Y451 PolarHBondContact O-OH 3.14Å; L443-Y451 HydrophobicContact CB-CD2 4.11Å; L443-Y451 HydrophobicContact CB-CE2 3.65Å; P444-Y451 HydrophobicContact CB-CD1 4.23Å; P444-Y451 HydrophobicContact CB-CD2 4.24Å; P444-Y451 HydrophobicContact CB-CG 4.06Å; P444-Y451 HydrophobicContact CG-CD1 3.97Å; P444-Y451 HydrophobicContact CG-CD2 3.95Å; P444-Y451 HydrophobicContact CG-CE1 3.88Å; P444-Y451 HydrophobicContact CG-CE2 3.87Å; P444-Y451 HydrophobicContact CG-CG 4.03Å; L447-Y451 HydrophobicContact CB-CD2 4.41Å; L447-Y451 HydrophobicContact CD1-CD2 4.06Å; G448-Y451 WeakPolarHBondContact O-CB 3.48Å; G448-Y451 PolarHBondContact O-N 3.14Å; I449-Y451 VanDerWaalsContact C-N 3.31Å; I449-Y451 PolarHBondContact O-N 3.48Å; Y451-S453 VanDerWaalsContact C-N 3.31Å; Y451-S453 PolarHBondContact O-N 3.37Å; Y451-L454 PolarHBondContact O-N 3.21Å; Y451-I455 HydrophobicContact CD2-CD1 4.18Å; Y451-I455 HydrophobicContact CE2-CB 4.17Å; Y451-I455 HydrophobicContact CE2-CD1 3.78Å; Y451-I455 HydrophobicContact CE2-CG1 4.43Å; Y451-I455 HydrophobicContact CE2-CG2 4.42Å; Y451-I455 PolarHBondContact O-N 2.77Å
452	H	97	Very high	97.8	Very high	148 Å²	148	49 Å²	49	69%	0.685	27%	0.272	S	S	*	.	H	α-helix	trans	-68.3	-28.2	-177.4	-67.4	-62	0	0	0	113.9	R450	R450-H452 PolarHBondContact O-N 2.84Å
453	S	97.3	Very high	97.7	Very high	89 Å²	89	50.3 Å²	50.3	62%	0.622	28%	0.283	S	S	*	.	H	α-helix	trans	-74.4	-32.1	176.4	69	0	0	0	0	112.8	R450 Y451	R450-S453 PolarHBondContact O-N 3.14Å; R450-S453 VanDerWaalsContact O-N 3.08Å; R450-S453 PolarHBondContact O-OG 3.17Å; Y451-S453 VanDerWaalsContact C-N 3.31Å; Y451-S453 PolarHBondContact O-N 3.37Å
454	L	97.9	Very high	97.7	Very high	27 Å²	27	55 Å²	55	14%	0.141	31%	0.312	C	S	.	.	H	α-helix	trans	-94.5	-29.9	-176	-70.2	177.9	0	0	0	112.6	R450 Y451 A648	R450-L454 HydrophobicContact CB-CD1 3.69Å; R450-L454 HydrophobicContact CB-CG 4.11Å; R450-L454 WeakPolarHBondContact O-CB 3.42Å; R450-L454 WeakPolarHBondContact O-CG 3.49Å; R450-L454 PolarHBondContact O-N 2.72Å; Y451-L454 PolarHBondContact O-N 3.21Å; L454-A648 HydrophobicContact CD1-CB 3.98Å
455	I	98.2	Very high	97.7	Very high	4 Å²	4	54.7 Å²	54.7	2%	0.021	31%	0.309	C	S	.	.	S	Bend	trans	-123.3	84.4	178.2	-56.6	-176.9	0	0	0	107.3	L443 L447 Y451 F655	L443-I455 HydrophobicContact CD1-CD1 3.89Å; L447-I455 HydrophobicContact CD1-CD1 3.68Å; L447-I455 HydrophobicContact CD1-CG1 4.19Å; Y451-I455 HydrophobicContact CD2-CD1 4.18Å; Y451-I455 HydrophobicContact CE2-CB 4.17Å; Y451-I455 HydrophobicContact CE2-CD1 3.78Å; Y451-I455 HydrophobicContact CE2-CG1 4.43Å; Y451-I455 HydrophobicContact CE2-CG2 4.42Å; Y451-I455 PolarHBondContact O-N 2.77Å; I455-F655 HydrophobicContact CD1-CB 4.26Å
456	P	97.3	Very high	97.7	Very high	56 Å²	56	54.8 Å²	54.8	36%	0.364	31%	0.311	S	S	.	.	P	Polyproline II helix	trans	-64.9	164.4	178	28.6	-35.5	0	0	0	110.9	R659	P456-R659 VanDerWaalsContact O-CZ 3.3Å; P456-R659 PolarHBondContact O-NH1 3Å; P456-R659 PolarHBondContact O-NH2 2.92Å
457	P	97.4	Very high	97.7	Very high	108 Å²	108	54.8 Å²	54.8	70%	0.701	31%	0.311	S	S	*	.	P	Polyproline II helix	trans	-50.3	146	174.9	-27	35.5	0	0	0	112.9
458	Y	98	Very high	97.7	Very high	42 Å²	42	55.1 Å²	55.1	17%	0.165	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-68.2	130.4	179.7	179.3	-117.2	0	0	0	110.9	G460 Y461 R659 W665 Q667	Y458-G460 VanDerWaalsContact CE2-C 3.46Å; Y458-G460 VanDerWaalsContact CE2-O 3.27Å; Y458-G460 WeakPolarHBondContact CE2-O 3.45Å; Y458-Y461 PolarHBondContact OH-N 3.49Å; Y458-R659 HydrophobicContact CD2-CG 3.82Å; Y458-R659 HydrophobicContact CE2-CG 4.16Å; Y458-W665 AromaticContact CD1-CD1 3.88Å; Y458-W665 AromaticContact CD1-NE1 3.81Å; Y458-W665 AromaticContact CE1-CD1 3.44Å; Y458-W665 VanDerWaalsContact CE1-CD1 3.44Å; Y458-W665 AromaticContact CE1-NE1 3.89Å; Y458-W665 AromaticContact CE2-CD1 3.67Å; Y458-W665 HydrophobicContact CE2-CG 4.33Å; Y458-W665 AromaticContact CG-NE1 3.88Å; Y458-W665 AromaticContact CZ-CD1 3.3Å; Y458-W665 AromaticContact CZ-NE1 4Å; Y458-Q667 HydrophobicContact CD1-CB 3.94Å; Y458-Q667 HydrophobicContact CE1-CB 4.13Å
459	T	97.3	Very high	97.8	Very high	133 Å²	133	54.6 Å²	54.6	82%	0.816	31%	0.307	S	S	*	.			trans	-109.6	3.1	-178.1	54.1	0	0	0	0	113.7
460	G	96.9	Very high	97.9	Very high	22 Å²	22	49.1 Å²	49.1	23%	0.227	28%	0.279	C	S	.	.			trans	114.8	169.2	-174.8	0	0	0	0	0	113	Y458	Y458-G460 VanDerWaalsContact CE2-C 3.46Å; Y458-G460 VanDerWaalsContact CE2-O 3.27Å; Y458-G460 WeakPolarHBondContact CE2-O 3.45Å
461	Y	97.9	Very high	97.9	Very high	54 Å²	54	45.8 Å²	45.8	21%	0.212	27%	0.266	C	S	.	.			trans	-71.2	129.3	178.2	163.5	-115	0	0	0	110.8	Y458 A463 D660 R663	Y458-Y461 PolarHBondContact OH-N 3.49Å; Y461-A463 HydrophobicContact CE1-CB 3.77Å; Y461-A463 WeakPolarHBondContact OH-CA 3.47Å; Y461-A463 WeakPolarHBondContact OH-CB 3.29Å; Y461-D660 WeakPolarHBondContact CD2-O 3.37Å; Y461-R663 HydrophobicContact CD1-CB 4.24Å; Y461-R663 HydrophobicContact CD1-CG 4.15Å; Y461-R663 HydrophobicContact CD2-CB 4.13Å; Y461-R663 HydrophobicContact CE1-CB 4Å; Y461-R663 HydrophobicContact CE1-CG 4.03Å; Y461-R663 HydrophobicContact CE2-CB 3.88Å; Y461-R663 HydrophobicContact CG-CB 4.3Å
462	D	98	Very high	98	Very high	68 Å²	68	44.5 Å²	44.5	36%	0.364	26%	0.262	S	S	.	.			trans	-111.1	106.4	174.8	-175.3	-12.2	0	0	0	110.2	T464 V465 D660	D462-T464 VanDerWaalsContact CG-OG1 3.27Å; D462-T464 PolarHBondContact O-N 3.31Å; D462-T464 VanDerWaalsContact O-N 3.08Å; D462-T464 WeakPolarHBondContact OD1-CA 3.21Å; D462-T464 WeakPolarHBondContact OD1-CB 3.31Å; D462-T464 PolarHBondContact OD1-N 3.34Å; D462-T464 PolarHBondContact OD1-OG1 3.23Å; D462-T464 PolarHBondContact OD2-OG1 3.19Å; D462-V465 HydrophobicContact CB-CB 4.45Å; D462-V465 HydrophobicContact CB-CG2 3.8Å; D462-V465 PolarHBondContact O-N 3.29Å; D462-V465 VanDerWaalsContact O-N 3.09Å; D462-D660 PolarHBondContact N-O 2.69Å
463	A	97.4	Very high	98	Very high	29 Å²	29	37.6 Å²	37.6	24%	0.24	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-6.2	179.7	0	0	0	0	0	114.5	N185 Y461	N185-A463 PolarHBondContact ND2-O 3.14Å; Y461-A463 HydrophobicContact CE1-CB 3.77Å; Y461-A463 WeakPolarHBondContact OH-CA 3.47Å; Y461-A463 WeakPolarHBondContact OH-CB 3.29Å
464	T	98.3	Very high	98.1	Very high	99 Å²	99	33.7 Å²	33.7	61%	0.607	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.3	-14.7	174.6	74.2	0	0	0	0	112.9	D462	D462-T464 VanDerWaalsContact CG-OG1 3.27Å; D462-T464 PolarHBondContact O-N 3.31Å; D462-T464 VanDerWaalsContact O-N 3.08Å; D462-T464 WeakPolarHBondContact OD1-CA 3.21Å; D462-T464 WeakPolarHBondContact OD1-CB 3.31Å; D462-T464 PolarHBondContact OD1-N 3.34Å; D462-T464 PolarHBondContact OD1-OG1 3.23Å; D462-T464 PolarHBondContact OD2-OG1 3.19Å
465	V	98.3	Very high	98.1	Very high	30 Å²	30	32.4 Å²	32.4	18%	0.182	20%	0.195	C	C	.	.	S	Bend	trans	-79.7	126.9	176.6	175.2	0	0	0	0	109.8	D462 P467 R657 D660	D462-V465 HydrophobicContact CB-CB 4.45Å; D462-V465 HydrophobicContact CB-CG2 3.8Å; D462-V465 PolarHBondContact O-N 3.29Å; D462-V465 VanDerWaalsContact O-N 3.09Å; V465-P467 VanDerWaalsContact O-CD 3.28Å; V465-P467 WeakPolarHBondContact O-CD 3.26Å; V465-R657 HydrophobicContact CG1-CB 4.06Å; V465-R657 HydrophobicContact CG1-CG 4.03Å; V465-D660 HydrophobicContact CG2-CB 4.47Å
466	N	98.3	Very high	98.1	Very high	16 Å²	16	32.2 Å²	32.2	9%	0.086	19%	0.194	C	C	.	.			trans	-88.1	112	172.3	-174.2	-9.7	0	0	0	110.1	W191 Q199 S468	W191-N466 HydrophobicContact CD2-CB 3.95Å; W191-N466 HydrophobicContact CE3-CB 3.84Å; W191-N466 HydrophobicContact CH2-CB 4.34Å; W191-N466 HydrophobicContact CZ2-CB 4.44Å; W191-N466 HydrophobicContact CZ3-CB 4.05Å; Q199-N466 PolarHBondContact NE2-ND2 3.11Å; Q199-N466 PolarHBondContact OE1-ND2 2.96Å; N466-S468 VanDerWaalsContact C-N 3.32Å; N466-S468 PolarHBondContact O-N 2.97Å; N466-S468 VanDerWaalsContact OD1-CB 3.23Å; N466-S468 WeakPolarHBondContact OD1-CB 3.34Å; N466-S468 PolarHBondContact OD1-N 2.87Å; N466-S468 PolarHBondContact OD1-OG 3.2Å
467	P	98.5	Very high	98.2	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	18%	0.177	C	C	.	.			trans	-80.3	-6.5	-178.5	34.6	-39	0	0	0	114	A325 F326 V465 Q654 L658	A325-P467 WeakPolarHBondContact CB-O 3.12Å; F326-P467 HydrophobicContact CD1-CB 4.47Å; F326-P467 HydrophobicContact CE1-CB 3.81Å; F326-P467 HydrophobicContact CE1-CG 3.54Å; F326-P467 HydrophobicContact CZ-CG 3.83Å; V465-P467 VanDerWaalsContact O-CD 3.28Å; V465-P467 WeakPolarHBondContact O-CD 3.26Å; P467-Q654 PolarHBondContact O-NE2 2.74Å; P467-L658 VanDerWaalsContact O-CD2 3.27Å; P467-L658 WeakPolarHBondContact O-CD2 3.25Å
468	S	98.6	Very high	98.2	Very high	6 Å²	6	25 Å²	25	4%	0.042	15%	0.147	C	C	.	.	S	Bend	trans	-54.6	146.2	-177	-53.7	0	0	0	0	111.8	G192 N466 I470	G192-S468 PolarHBondContact N-OG 3.43Å; N466-S468 VanDerWaalsContact C-N 3.32Å; N466-S468 PolarHBondContact O-N 2.97Å; N466-S468 VanDerWaalsContact OD1-CB 3.23Å; N466-S468 WeakPolarHBondContact OD1-CB 3.34Å; N466-S468 PolarHBondContact OD1-N 2.87Å; N466-S468 PolarHBondContact OD1-OG 3.2Å; S468-I470 PolarHBondContact O-N 3.44Å
469	I	98.8	Very high	98.2	Very high	2 Å²	2	25 Å²	25	1%	0.01	15%	0.146	C	C	.	.	P	Polyproline II helix	trans	-66.2	131.4	-174.9	-60	-56.3	0	0	0	111.5	F198 Q199 T258 A325 F473 T474 Q654 L658	F198-I469 CarbonylContact C-O 3.54Å; F198-I469 VanDerWaalsContact CA-O 3.29Å; F198-I469 WeakPolarHBondContact CA-O 3.39Å; F198-I469 WeakPolarHBondContact CB-O 3.4Å; F198-I469 HydrophobicContact CD1-CB 3.9Å; F198-I469 HydrophobicContact CD1-CG2 3.87Å; F198-I469 WeakPolarHBondContact CD1-O 3.4Å; F198-I469 HydrophobicContact CE1-CB 4.15Å; F198-I469 HydrophobicContact CE1-CG2 3.96Å; Q199-I469 PolarHBondContact N-O 3.37Å; T258-I469 VanDerWaalsContact O-CG1 3.25Å; T258-I469 WeakPolarHBondContact O-CG1 3.22Å; A325-I469 HydrophobicContact CB-CD1 3.95Å; A325-I469 HydrophobicContact CB-CG1 3.82Å; I469-F473 HydrophobicContact CG2-CD1 4.03Å; I469-T474 HydrophobicContact CG2-CG2 3.99Å; I469-Q654 HydrophobicContact CD1-CG 4.41Å; I469-L658 HydrophobicContact CD1-CD1 4.46Å; I469-L658 HydrophobicContact CD1-CD2 4Å
470	I	98.7	Very high	98.2	Very high	1 Å²	1	18.8 Å²	18.8	1%	0.005	11%	0.108	C	C	.	.	B	Isolated β-bridge	trans	-76.4	132.7	175.3	-65.5	167.3	0	0	0	109	Q199 I201 S468 E472 F473 T474 E653 Q654	Q199-I470 HydrophobicContact CB-CG1 4.4Å; Q199-I470 CarbonylContact O-C 3.53Å; Q199-I470 WeakPolarHBondContact O-CA 3.45Å; I201-I470 HydrophobicContact CD1-CD1 4.12Å; I201-I470 HydrophobicContact CD1-CG2 3.79Å; I201-I470 HydrophobicContact CG1-CD1 4.03Å; I201-I470 HydrophobicContact CG1-CG2 3.73Å; S468-I470 PolarHBondContact O-N 3.44Å; I470-E472 HydrophobicContact CG2-CB 4Å; I470-E472 WeakPolarHBondContact CG2-OE2 3.24Å; I470-E472 PolarHBondContact O-N 3.05Å; I470-F473 HydrophobicContact CB-CB 3.95Å; I470-F473 HydrophobicContact CG2-CB 4.27Å; I470-F473 WeakPolarHBondContact O-CB 3.39Å; I470-F473 PolarHBondContact O-N 2.59Å; I470-T474 PolarHBondContact O-N 2.9Å; I470-E653 HydrophobicContact CD1-CG 4.01Å; I470-Q654 VanDerWaalsContact CB-OE1 3.31Å; I470-Q654 HydrophobicContact CD1-CB 4.46Å; I470-Q654 VanDerWaalsContact CG1-OE1 3.31Å
471	N	98.5	Very high	98.2	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-62.4	-44.6	-175.4	-162.1	-25	0	0	0	111.1	F198 Q199 R200 Q319 F473 T474 T475 H580 L582	F198-N471 HydrophobicContact CB-CB 3.79Å; F198-N471 HydrophobicContact CG-CB 4.39Å; Q199-N471 WeakPolarHBondContact O-CB 3.33Å; Q199-N471 PolarHBondContact O-N 3.38Å; R200-N471 HydrophobicContact CG-CB 4.27Å; R200-N471 PolarHBondContact NH1-ND2 3.39Å; R200-N471 PolarHBondContact NH2-ND2 3.28Å; Q319-N471 PolarHBondContact OE1-ND2 3.44Å; N471-F473 VanDerWaalsContact C-N 3.29Å; N471-F473 PolarHBondContact O-N 3.09Å; N471-T474 PolarHBondContact O-N 3.03Å; N471-T475 WeakPolarHBondContact O-CB 3.34Å; N471-T475 PolarHBondContact O-N 2.9Å; N471-T475 PolarHBondContact O-OG1 3.31Å; N471-T475 PolarHBondContact OD1-OG1 3.08Å; N471-H580 PolarHBondContact OD1-ND1 2.97Å; N471-L582 HydrophobicContact CB-CD2 4.47Å
472	E	98.5	Very high	98.2	Very high	1 Å²	1	18.1 Å²	18.1	1%	0.005	11%	0.106	C	C	.	.	H	α-helix	trans	-58.7	-38.2	175.6	-62.3	79.8	168.9	0	0	112.8	R200 I201 L202 I470 A476 A477 L582 F588 L628	R200-E472 WeakPolarHBondContact CA-OE2 3.39Å; I201-E472 PolarHBondContact N-OE1 2.87Å; I201-E472 PolarHBondContact N-OE2 2.87Å; L202-E472 PolarHBondContact N-OE1 3.15Å; I470-E472 HydrophobicContact CG2-CB 4Å; I470-E472 WeakPolarHBondContact CG2-OE2 3.24Å; I470-E472 PolarHBondContact O-N 3.05Å; E472-A476 PolarHBondContact O-N 3.1Å; E472-A476 VanDerWaalsContact O-N 3.07Å; E472-A477 PolarHBondContact O-N 2.68Å; E472-A477 VanDerWaalsContact O-N 3.09Å; E472-L582 HydrophobicContact CG-CD2 4.15Å; E472-F588 HydrophobicContact CB-CE1 4.34Å; E472-F588 HydrophobicContact CB-CZ 4.26Å; E472-F588 HydrophobicContact CG-CE1 3.49Å; E472-F588 VanDerWaalsContact CG-CE1 3.49Å; E472-F588 HydrophobicContact CG-CE2 4.03Å; E472-F588 HydrophobicContact CG-CZ 3.17Å; E472-L628 HydrophobicContact CB-CD2 4.23Å
473	F	98.6	Very high	98.1	Very high	2 Å²	2	14.9 Å²	14.9	1%	0.009	9%	0.088	C	C	.	.	H	α-helix	trans	-65.3	-53.9	179	167.1	-92.4	0	0	0	111	I469 I470 N471 A477 M478 I651 Q654 F655	I469-F473 HydrophobicContact CG2-CD1 4.03Å; I470-F473 HydrophobicContact CB-CB 3.95Å; I470-F473 HydrophobicContact CG2-CB 4.27Å; I470-F473 WeakPolarHBondContact O-CB 3.39Å; I470-F473 PolarHBondContact O-N 2.59Å; N471-F473 VanDerWaalsContact C-N 3.29Å; N471-F473 PolarHBondContact O-N 3.09Å; F473-A477 PolarHBondContact O-N 3.4Å; F473-M478 HydrophobicContact CD1-CG 3.81Å; F473-M478 HydrophobicContact CD2-CG 3.53Å; F473-M478 HydrophobicContact CD2-SD 4.27Å; F473-M478 HydrophobicContact CE1-CB 4.41Å; F473-M478 HydrophobicContact CE1-CG 3.41Å; F473-M478 VanDerWaalsContact CE1-CG 3.41Å; F473-M478 HydrophobicContact CE1-SD 4.48Å; F473-M478 HydrophobicContact CE2-CE 4.37Å; F473-M478 HydrophobicContact CE2-CG 3.11Å; F473-M478 HydrophobicContact CE2-SD 3.43Å; F473-M478 WeakPolarHBondContact CE2-SD 3.46Å; F473-M478 HydrophobicContact CG-CG 3.89Å; F473-M478 HydrophobicContact CZ-CB 4.4Å; F473-M478 HydrophobicContact CZ-CE 3.96Å; F473-M478 HydrophobicContact CZ-CG 3.07Å; F473-M478 HydrophobicContact CZ-SD 3.59Å; F473-M478 VanDerWaalsContact CZ-SD 3.59Å; F473-M478 WeakPolarHBondContact O-CB 3.4Å; F473-M478 PolarHBondContact O-N 3.27Å; F473-I651 HydrophobicContact CE2-CG1 4.48Å; F473-Q654 HydrophobicContact CB-CB 4.2Å; F473-Q654 HydrophobicContact CB-CG 4.48Å; F473-Q654 HydrophobicContact CD1-CB 4.17Å; F473-Q654 HydrophobicContact CD1-CG 3.7Å; F473-Q654 HydrophobicContact CD2-CB 3.28Å; F473-Q654 HydrophobicContact CD2-CG 3.73Å; F473-Q654 HydrophobicContact CE1-CB 4.33Å; F473-Q654 HydrophobicContact CE1-CG 3.65Å; F473-Q654 HydrophobicContact CE2-CB 3.45Å; F473-Q654 VanDerWaalsContact CE2-CB 3.45Å; F473-Q654 HydrophobicContact CE2-CG 3.65Å; F473-Q654 HydrophobicContact CG-CB 3.65Å; F473-Q654 HydrophobicContact CG-CG 3.72Å; F473-Q654 HydrophobicContact CZ-CB 3.96Å; F473-Q654 HydrophobicContact CZ-CG 3.58Å; F473-F655 HydrophobicContact CE2-CD2 4.01Å; F473-F655 AromaticContact CE2-CE2 3.79Å; F473-F655 HydrophobicContact CE2-CE2 3.79Å; F473-F655 HydrophobicContact CZ-CD2 4.29Å; F473-F655 AromaticContact CZ-CE2 3.78Å; F473-F655 HydrophobicContact CZ-CE2 3.78Å; F473-F655 HydrophobicContact CZ-CZ 4.29Å
474	T	98.1	Very high	98.1	Very high	8 Å²	8	13.7 Å²	13.7	5%	0.049	8%	0.078	C	C	.	.	H	α-helix	trans	-76.6	-31.3	-176.5	-172	0	0	0	0	112.9	F198 S259 I469 I470 N471 R479	F198-T474 HydrophobicContact CD1-CG2 4.03Å; F198-T474 HydrophobicContact CE1-CG2 3.69Å; F198-T474 HydrophobicContact CZ-CG2 3.98Å; S259-T474 WeakPolarHBondContact CB-OG1 3.39Å; S259-T474 PolarHBondContact OG-OG1 3.32Å; I469-T474 HydrophobicContact CG2-CG2 3.99Å; I470-T474 PolarHBondContact O-N 2.9Å; N471-T474 PolarHBondContact O-N 3.03Å; T474-R479 WeakPolarHBondContact O-CG 3.22Å; T474-R479 PolarHBondContact O-NE 3.44Å
475	T	98.3	Very high	97.8	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-85.8	-29.4	-174.4	-55.5	0	0	0	0	112.8	N471 R479 R576 H580 L582	N471-T475 WeakPolarHBondContact O-CB 3.34Å; N471-T475 PolarHBondContact O-N 2.9Å; N471-T475 PolarHBondContact O-OG1 3.31Å; N471-T475 PolarHBondContact OD1-OG1 3.08Å; T475-R479 VanDerWaalsContact O-CD 3.23Å; T475-R479 WeakPolarHBondContact O-CD 3.4Å; T475-R479 PolarHBondContact O-NE 2.68Å; T475-R576 HydrophobicContact CG2-CB 4.37Å; T475-R576 HydrophobicContact CG2-CG 3.89Å; T475-H580 HydrophobicContact CG2-CB 4.1Å; T475-H580 PolarHBondContact OG1-CE1 3.48Å; T475-H580 PolarHBondContact OG1-ND1 3.48Å; T475-L582 HydrophobicContact CG2-CD1 3.83Å; T475-L582 HydrophobicContact CG2-CG 4.41Å
476	A	98.6	Very high	97.5	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.043	C	C	.	.	T	Hydrogen-bonded Turn	trans	-125.9	-64.9	179.7	0	0	0	0	0	112.9	E472 M478 R479 L582 L628	E472-A476 PolarHBondContact O-N 3.1Å; E472-A476 VanDerWaalsContact O-N 3.07Å; A476-M478 PolarHBondContact O-N 3.33Å; A476-R479 WeakPolarHBondContact O-CB 3.31Å; A476-R479 PolarHBondContact O-N 3.28Å; A476-L582 HydrophobicContact CB-CD1 3.98Å; A476-L628 HydrophobicContact CB-CB 4.21Å; A476-L628 HydrophobicContact CB-CD2 3.6Å; A476-L628 HydrophobicContact CB-CG 3.7Å
477	A	98.6	Very high	97	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	5%	0.045	C	C	.	.	G	3₁₀ helix	trans	-61.2	-52.1	-164	0	0	0	0	0	112.9	E472 F473 R479 F480 F647 L650 I651	E472-A477 PolarHBondContact O-N 2.68Å; E472-A477 VanDerWaalsContact O-N 3.09Å; F473-A477 PolarHBondContact O-N 3.4Å; A477-R479 PolarHBondContact O-N 3Å; A477-R479 VanDerWaalsContact O-N 3.14Å; A477-F480 WeakPolarHBondContact O-CB 3.45Å; A477-F480 VanDerWaalsContact O-CD1 3.25Å; A477-F480 WeakPolarHBondContact O-CD1 3.35Å; A477-F480 PolarHBondContact O-N 3.03Å; A477-F480 VanDerWaalsContact O-N 3.15Å; A477-F647 HydrophobicContact CB-CD1 3.86Å; A477-F647 HydrophobicContact CB-CE1 4.21Å; A477-F647 HydrophobicContact CB-CG 4.25Å; A477-L650 HydrophobicContact CB-CB 3.9Å; A477-L650 HydrophobicContact CB-CD1 4.22Å; A477-I651 HydrophobicContact CB-CG1 4.08Å
478	M	98	Very high	96.5	Very high	13 Å²	13	9.8 Å²	9.8	6%	0.064	5%	0.05	C	C	.	.	G	3₁₀ helix	trans	-69.6	-8.4	179.2	-74.4	-59.5	-79.9	0	0	114.7	V255 W442 F473 A476 F480 I651 F655	V255-M478 HydrophobicContact CG2-CB 3.99Å; V255-M478 HydrophobicContact CG2-CE 3.27Å; V255-M478 HydrophobicContact CG2-CG 4.26Å; W442-M478 HydrophobicContact CH2-CE 3.76Å; W442-M478 HydrophobicContact CH2-SD 4.47Å; W442-M478 HydrophobicContact CZ3-CE 4.31Å; F473-M478 HydrophobicContact CD1-CG 3.81Å; F473-M478 HydrophobicContact CD2-CG 3.53Å; F473-M478 HydrophobicContact CD2-SD 4.27Å; F473-M478 HydrophobicContact CE1-CB 4.41Å; F473-M478 HydrophobicContact CE1-CG 3.41Å; F473-M478 VanDerWaalsContact CE1-CG 3.41Å; F473-M478 HydrophobicContact CE1-SD 4.48Å; F473-M478 HydrophobicContact CE2-CE 4.37Å; F473-M478 HydrophobicContact CE2-CG 3.11Å; F473-M478 HydrophobicContact CE2-SD 3.43Å; F473-M478 WeakPolarHBondContact CE2-SD 3.46Å; F473-M478 HydrophobicContact CG-CG 3.89Å; F473-M478 HydrophobicContact CZ-CB 4.4Å; F473-M478 HydrophobicContact CZ-CE 3.96Å; F473-M478 HydrophobicContact CZ-CG 3.07Å; F473-M478 HydrophobicContact CZ-SD 3.59Å; F473-M478 VanDerWaalsContact CZ-SD 3.59Å; F473-M478 WeakPolarHBondContact O-CB 3.4Å; F473-M478 PolarHBondContact O-N 3.27Å; A476-M478 PolarHBondContact O-N 3.33Å; M478-F480 PolarHBondContact O-N 3.21Å; M478-F480 HydrophobicContact SD-CE1 4.07Å; M478-I651 HydrophobicContact SD-CD1 4.14Å; M478-I651 HydrophobicContact SD-CG1 3.85Å; M478-I651 HydrophobicContact SD-CG2 4.15Å; M478-F655 HydrophobicContact CE-CE2 3.87Å; M478-F655 HydrophobicContact CE-CZ 3.97Å; M478-F655 HydrophobicContact SD-CE2 3.97Å
479	R	97.9	Very high	96.1	Very high	41 Å²	41	9.6 Å²	9.6	16%	0.155	5%	0.049	C	C	.	.	G	3₁₀ helix	trans	-79.8	1.8	172.8	-56.4	-163.9	-176.7	-164.4	3.2	112.7	T474 T475 A476 A477 G481 H482 N573 Y629	T474-R479 WeakPolarHBondContact O-CG 3.22Å; T474-R479 PolarHBondContact O-NE 3.44Å; T475-R479 VanDerWaalsContact O-CD 3.23Å; T475-R479 WeakPolarHBondContact O-CD 3.4Å; T475-R479 PolarHBondContact O-NE 2.68Å; A476-R479 WeakPolarHBondContact O-CB 3.31Å; A476-R479 PolarHBondContact O-N 3.28Å; A477-R479 PolarHBondContact O-N 3Å; A477-R479 VanDerWaalsContact O-N 3.14Å; R479-G481 PolarHBondContact O-N 3.43Å; R479-H482 WeakPolarHBondContact O-CB 3.32Å; R479-H482 PolarHBondContact O-N 3Å; R479-N573 VanDerWaalsContact CD-OD1 3.26Å; R479-N573 WeakPolarHBondContact CD-OD1 3.35Å; R479-N573 PolarHBondContact NH1-OD1 3.22Å; R479-Y629 HydrophobicContact CB-CD2 4.12Å; R479-Y629 HydrophobicContact CB-CE2 3.66Å
480	F	98.1	Very high	95.7	Very high	3 Å²	3	10.7 Å²	10.7	1%	0.013	5%	0.054	C	C	.	.	G	3₁₀ helix	trans	-53.6	-31.9	169	82.7	-88.9	0	0	0	111.9	W442 I446 A477 M478 H482 G483 M484 P552 L633 V643 F647 I651	W442-F480 HydrophobicContact CH2-CE1 4.26Å; W442-F480 HydrophobicContact CH2-CZ 4.02Å; W442-F480 HydrophobicContact CZ2-CZ 4.03Å; I446-F480 HydrophobicContact CD1-CE2 4.06Å; I446-F480 HydrophobicContact CD1-CZ 3.89Å; I446-F480 HydrophobicContact CG1-CZ 4.14Å; I446-F480 HydrophobicContact CG2-CE1 4.17Å; I446-F480 HydrophobicContact CG2-CE2 4.12Å; I446-F480 HydrophobicContact CG2-CZ 3.6Å; A477-F480 WeakPolarHBondContact O-CB 3.45Å; A477-F480 VanDerWaalsContact O-CD1 3.25Å; A477-F480 WeakPolarHBondContact O-CD1 3.35Å; A477-F480 PolarHBondContact O-N 3.03Å; A477-F480 VanDerWaalsContact O-N 3.15Å; M478-F480 PolarHBondContact O-N 3.21Å; M478-F480 HydrophobicContact SD-CE1 4.07Å; F480-H482 PolarHBondContact O-N 2.97Å; F480-H482 VanDerWaalsContact O-N 3.15Å; F480-G483 PolarHBondContact O-N 3.31Å; F480-M484 HydrophobicContact CD2-SD 3.86Å; F480-M484 HydrophobicContact CE2-SD 3.45Å; F480-M484 WeakPolarHBondContact CE2-SD 3.49Å; F480-M484 HydrophobicContact CZ-SD 4.43Å; F480-P552 HydrophobicContact CB-CB 4.38Å; F480-P552 HydrophobicContact CD2-CB 4.1Å; F480-P552 HydrophobicContact CD2-CG 4.16Å; F480-P552 VanDerWaalsContact O-CB 3.25Å; F480-P552 WeakPolarHBondContact O-CB 3.28Å; F480-L633 HydrophobicContact CB-CD1 4.19Å; F480-V643 HydrophobicContact CB-CG1 4.03Å; F480-V643 HydrophobicContact CD1-CG1 4.01Å; F480-V643 HydrophobicContact CD2-CG1 3.44Å; F480-V643 VanDerWaalsContact CD2-CG1 3.44Å; F480-V643 HydrophobicContact CE1-CG1 4.35Å; F480-V643 HydrophobicContact CE2-CG1 3.82Å; F480-V643 HydrophobicContact CG-CG1 3.55Å; F480-V643 HydrophobicContact CZ-CG1 4.26Å; F480-F647 HydrophobicContact CB-CD2 4.07Å; F480-F647 HydrophobicContact CB-CE2 4.25Å; F480-I651 HydrophobicContact CD1-CD1 3.73Å; F480-I651 HydrophobicContact CE1-CD1 3.66Å
481	G	97.2	Very high	95.3	Very high	18 Å²	18	11.3 Å²	11.3	19%	0.186	6%	0.056	C	C	.	.	G	3₁₀ helix	trans	-58	-25.8	176.6	0	0	0	0	0	114.1	R479 G483 M484	R479-G481 PolarHBondContact O-N 3.43Å; G481-G483 PolarHBondContact O-N 2.95Å; G481-M484 WeakPolarHBondContact O-CB 3.44Å; G481-M484 PolarHBondContact O-N 3.39Å
482	H	96.2	Very high	95	Very high	44 Å²	44	11.6 Å²	11.6	20%	0.204	6%	0.058	C	C	.	.	G	3₁₀ helix	trans	-63.5	-30	173.4	-62.3	155.1	0	0	0	112.5	R479 F480 M484 N573	R479-H482 WeakPolarHBondContact O-CB 3.32Å; R479-H482 PolarHBondContact O-N 3Å; F480-H482 PolarHBondContact O-N 2.97Å; F480-H482 VanDerWaalsContact O-N 3.15Å; H482-M484 VanDerWaalsContact C-N 3.26Å; H482-M484 PolarHBondContact O-N 3.25Å; H482-N573 PolarHBondContact ND1-ND2 3.32Å
483	G	96.6	Very high	94.6	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.067	C	C	.	.	G	3₁₀ helix	trans	-72.9	-17.7	172.8	0	0	0	0	0	113.4	F480 G481 I485 K550 P552	F480-G483 PolarHBondContact O-N 3.31Å; G481-G483 PolarHBondContact O-N 2.95Å; G483-I485 VanDerWaalsContact C-N 3.33Å; G483-K550 WeakPolarHBondContact O-CD 3.45Å; G483-K550 PolarHBondContact O-NZ 3.46Å; G483-P552 WeakPolarHBondContact CA-O 3.4Å
484	M	96.7	Very high	94.2	Very high	3 Å²	3	17.6 Å²	17.6	2%	0.015	9%	0.09	C	C	.	.	G	3₁₀ helix	trans	-84.8	-6.5	178.5	-57.5	171	67.6	0	0	112.8	M245 L247 M248 F480 G481 H482 T486 V549 K550 P552 L642	M245-M484 VanDerWaalsContact CE-O 3.25Å; M245-M484 WeakPolarHBondContact CE-O 3.45Å; L247-M484 HydrophobicContact CD2-CE 4.18Å; L247-M484 HydrophobicContact CG-CE 4.44Å; M248-M484 HydrophobicContact CB-CB 3.95Å; M248-M484 HydrophobicContact CB-CE 4.01Å; M248-M484 HydrophobicContact CG-CB 3.54Å; F480-M484 HydrophobicContact CD2-SD 3.86Å; F480-M484 HydrophobicContact CE2-SD 3.45Å; F480-M484 WeakPolarHBondContact CE2-SD 3.49Å; F480-M484 HydrophobicContact CZ-SD 4.43Å; G481-M484 WeakPolarHBondContact O-CB 3.44Å; G481-M484 PolarHBondContact O-N 3.39Å; H482-M484 VanDerWaalsContact C-N 3.26Å; H482-M484 PolarHBondContact O-N 3.25Å; M484-T486 PolarHBondContact O-N 3.04Å; M484-V549 HydrophobicContact CB-CG2 4.32Å; M484-V549 HydrophobicContact CE-CG2 3.24Å; M484-K550 WeakPolarHBondContact CA-O 3.34Å; M484-K550 WeakPolarHBondContact CG-O 3.29Å; M484-K550 WeakPolarHBondContact O-CB 3.22Å; M484-P552 HydrophobicContact CG-CB 3.96Å; M484-P552 HydrophobicContact CG-CG 4.49Å; M484-L642 HydrophobicContact CE-CD1 3.8Å
485	I	93.5	Very high	93.8	Very high	4 Å²	4	27.2 Å²	27.2	2%	0.021	13%	0.125	C	C	.	.			trans	-71.3	125	179.1	-65.8	170.7	0	0	0	110.6	M248 G483 F521 K550 T556 V559	M248-I485 HydrophobicContact CE-CG1 4.14Å; M248-I485 HydrophobicContact SD-CG1 4.22Å; G483-I485 VanDerWaalsContact C-N 3.33Å; I485-F521 HydrophobicContact CB-CE2 4.46Å; I485-F521 HydrophobicContact CD1-CE2 4.47Å; I485-F521 HydrophobicContact CD1-CZ 3.99Å; I485-F521 HydrophobicContact CG1-CE2 4.34Å; I485-F521 HydrophobicContact CG1-CZ 4.36Å; I485-F521 HydrophobicContact CG2-CD1 3.98Å; I485-F521 HydrophobicContact CG2-CD2 3.5Å; I485-F521 VanDerWaalsContact CG2-CD2 3.5Å; I485-F521 HydrophobicContact CG2-CE1 3.92Å; I485-F521 HydrophobicContact CG2-CE2 3.39Å; I485-F521 HydrophobicContact CG2-CG 3.79Å; I485-F521 HydrophobicContact CG2-CZ 3.62Å; I485-K550 WeakPolarHBondContact O-CD 3.32Å; I485-T556 WeakPolarHBondContact O-CG2 3.25Å; I485-T556 PolarHBondContact O-OG1 3Å; I485-V559 HydrophobicContact CB-CG2 3.74Å; I485-V559 HydrophobicContact CD1-CG2 3.86Å; I485-V559 HydrophobicContact CG1-CG2 4.4Å; I485-V559 HydrophobicContact CG2-CG2 3.55Å
486	T	91.8	Very high	93.2	Very high	5 Å²	5	28.4 Å²	28.4	3%	0.031	14%	0.138	C	C	.	.			trans	-84.4	163.1	173.5	54	0	0	0	0	111.7	L237 M245 M484 F488 F521 M547 K550	L237-T486 HydrophobicContact CD1-CG2 4.02Å; M245-T486 HydrophobicContact CE-CG2 3.85Å; M245-T486 WeakPolarHBondContact CE-OG1 3.06Å; M245-T486 HydrophobicContact SD-CG2 4.33Å; M484-T486 PolarHBondContact O-N 3.04Å; T486-F488 PolarHBondContact O-N 2.05Å; T486-F488 PolarHBondContact OG1-O 2.93Å; T486-F521 WeakPolarHBondContact O-CB 2.94Å; T486-M547 HydrophobicContact CG2-CE 4.21Å; T486-M547 WeakPolarHBondContact OG1-CE 3.37Å; T486-K550 HydrophobicContact CG2-CB 4Å
487	E	88.2	Confident	92.8	Very high	29 Å²	29	32.7 Å²	32.7	14%	0.136	16%	0.161	C	C	.	.	S	Bend	trans	-68.9	-15.5	176	-66.8	-72	173.8	0	0	113.5	R520 F521 T556 T557 S558	E487-R520 WeakPolarHBondContact O-CA 3.03Å; E487-F521 PolarHBondContact O-N 2.82Å; E487-T556 HydrophobicContact CG-CG2 4.13Å; E487-T556 VanDerWaalsContact OE1-CB 3.31Å; E487-T556 WeakPolarHBondContact OE1-CB 3.36Å; E487-T557 WeakPolarHBondContact OE1-CA 3.38Å; E487-T557 PolarHBondContact OE1-N 3.41Å; E487-T557 PolarHBondContact OE1-OG1 3.32Å; E487-S558 PolarHBondContact OE1-N 3.32Å; E487-S558 WeakPolarHBondContact OE2-CB 3.46Å; E487-S558 PolarHBondContact OE2-N 3.38Å; E487-S558 VanDerWaalsContact OE2-N 3.15Å; E487-S558 PolarHBondContact OE2-OG 3.12Å
488	F	87.3	Confident	92.3	Very high	26 Å²	26	34.4 Å²	34.4	11%	0.114	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	152.4	-172.3	-56.3	-84.6	0	0	0	112.5	T486 Y515 T518 F519 R520 M547	T486-F488 PolarHBondContact O-N 2.05Å; T486-F488 PolarHBondContact OG1-O 2.93Å; F488-Y515 AromaticContact CD2-CD1 3.75Å; F488-Y515 HydrophobicContact CD2-CD1 3.75Å; F488-Y515 AromaticContact CD2-CE1 3.84Å; F488-Y515 HydrophobicContact CD2-CE1 3.84Å; F488-Y515 AromaticContact CE2-CD1 3.8Å; F488-Y515 HydrophobicContact CE2-CD1 3.8Å; F488-Y515 AromaticContact CE2-CE1 3.92Å; F488-Y515 HydrophobicContact CE2-CE1 3.92Å; F488-Y515 HydrophobicContact CE2-CG 4.38Å; F488-Y515 HydrophobicContact CG-CD1 4.21Å; F488-Y515 HydrophobicContact CZ-CD1 4.28Å; F488-T518 HydrophobicContact CB-CG2 4.32Å; F488-T518 WeakPolarHBondContact CD1-OG1 3.46Å; F488-F519 CarbonylContact C-O 3.4Å; F488-F519 WeakPolarHBondContact CA-O 3.26Å; F488-F519 WeakPolarHBondContact CB-O 3.29Å; F488-R520 HydrophobicContact CD1-CB 4.37Å; F488-R520 HydrophobicContact CD1-CG 3.91Å; F488-R520 HydrophobicContact CE1-CB 4.48Å; F488-R520 HydrophobicContact CE1-CG 3.59Å; F488-M547 WeakPolarHBondContact O-CE 3.3Å
489	Y	89.2	Confident	91.7	Very high	1 Å²	1	36.2 Å²	36.2	0%	0.004	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	130.2	160.9	-64	-70.2	0	0	0	109.9	I390 A391 T518 F519 F521 L540	I390-Y489 HydrophobicContact CD1-CD2 4.01Å; I390-Y489 HydrophobicContact CD1-CE2 4.15Å; I390-Y489 HydrophobicContact CG1-CD2 4.27Å; I390-Y489 HydrophobicContact CG1-CE2 3.93Å; A391-Y489 HydrophobicContact CB-CD1 4.24Å; A391-Y489 HydrophobicContact CB-CE1 3.52Å; Y489-T518 CarbonylContact O-C 3.57Å; Y489-T518 WeakPolarHBondContact O-CA 3.35Å; Y489-T518 WeakPolarHBondContact O-CB 3.3Å; Y489-F519 HydrophobicContact CD2-CB 4.42Å; Y489-F519 PolarHBondContact N-O 3.16Å; Y489-F519 PolarHBondContact O-N 3.05Å; Y489-F521 HydrophobicContact CD2-CD2 4.48Å; Y489-F521 HydrophobicContact CE1-CD2 4.03Å; Y489-F521 HydrophobicContact CE1-CE2 4.19Å; Y489-F521 HydrophobicContact CE2-CB 4.47Å; Y489-F521 AromaticContact CE2-CD2 3.68Å; Y489-F521 HydrophobicContact CE2-CD2 3.68Å; Y489-F521 HydrophobicContact CE2-CE2 4.18Å; Y489-F521 HydrophobicContact CE2-CG 4.24Å; Y489-F521 AromaticContact CZ-CD2 3.43Å; Y489-F521 VanDerWaalsContact CZ-CD2 3.43Å; Y489-F521 AromaticContact CZ-CE2 3.56Å; Y489-F521 WeakPolarHBondContact OH-CD2 3.31Å; Y489-F521 WeakPolarHBondContact OH-CE2 3.29Å; Y489-L540 HydrophobicContact CD1-CD1 3.85Å; Y489-L540 HydrophobicContact CG-CD1 3.91Å
490	E	90.6	Very high	90.4	Very high	26 Å²	26	38.3 Å²	38.3	12%	0.121	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	143.5	166.3	-167.6	173.1	-179.2	0	0	110.6	V492 S498 T518 G543 R546 M547	E490-V492 HydrophobicContact CG-CG2 3.95Å; E490-S498 WeakPolarHBondContact OE1-CB 3.49Å; E490-S498 PolarHBondContact OE1-OG 2.91Å; E490-T518 HydrophobicContact CB-CG2 4.48Å; E490-G543 WeakPolarHBondContact O-CA 3.46Å; E490-R546 IonicContact OE1-CZ 3.51Å; E490-R546 IonicContact OE1-NE 3.52Å; E490-R546 PolarHBondContact OE1-NE 2.81Å; E490-R546 IonicContact OE1-NH1 2.7Å; E490-R546 IonicContact OE2-NE 2.91Å; E490-M547 HydrophobicContact CB-CG 3.72Å; E490-M547 HydrophobicContact CB-SD 3.56Å; E490-M547 VanDerWaalsContact CB-SD 3.56Å; E490-M547 PolarHBondContact N-SD 2.76Å
491	R	91.3	Very high	88.7	Confident	13 Å²	13	38.9 Å²	38.9	5%	0.049	21%	0.205	C	C	.	.			trans	-118	135	168.3	-65.2	-173	-59.3	-178.9	-0.3	109	S498 I499 P500 F519 E534 P539	R491-S498 CarbonylContact O-C 3.48Å; R491-S498 VanDerWaalsContact O-CA 3.28Å; R491-S498 WeakPolarHBondContact O-CA 3.38Å; R491-I499 HydrophobicContact CB-CB 4.13Å; R491-I499 PolarHBondContact O-N 3.29Å; R491-P500 PolarHBondContact NH2-O 3.16Å; R491-F519 HydrophobicContact CG-CD2 4.44Å; R491-F519 HydrophobicContact CG-CE2 4.37Å; R491-E534 IonicContact CZ-OE2 3.77Å; R491-E534 IonicContact NH1-OE2 3.96Å; R491-E534 PolarHBondContact NH1-OE2 3.47Å; R491-E534 IonicContact NH2-OE2 3.8Å; R491-P539 WeakPolarHBondContact CA-O 3.5Å; R491-P539 HydrophobicContact CB-CB 4.09Å
492	V	91.8	Very high	86.6	Confident	6 Å²	6	42.7 Å²	42.7	4%	0.036	24%	0.235	C	C	.	.	B	Isolated β-bridge	trans	-129.9	131.4	-176.1	-175.2	0	0	0	0	110.2	E490 G496 N497 P539 R542	E490-V492 HydrophobicContact CG-CG2 3.95Å; V492-G496 VanDerWaalsContact CG1-C 3.46Å; V492-N497 CarbonylContact C-O 3.06Å; V492-N497 WeakPolarHBondContact CA-O 3.46Å; V492-P539 PolarHBondContact N-O 3.33Å; V492-P539 WeakPolarHBondContact O-CA 3Å; V492-P539 WeakPolarHBondContact O-CB 3.26Å; V492-R542 HydrophobicContact CB-CB 3.78Å; V492-R542 HydrophobicContact CG1-CB 4.36Å
493	D	90.9	Very high	84.4	Confident	39 Å²	39	48 Å²	48	21%	0.209	26%	0.257	C	S	.	.			trans	-71.6	-179.7	176.6	72	12.2	0	0	0	112	R495 G496 N497 I499 R542	D493-R495 PolarHBondContact O-N 3.35Å; D493-R495 VanDerWaalsContact OD1-C 3.3Å; D493-R495 VanDerWaalsContact OD1-CA 3.3Å; D493-R495 WeakPolarHBondContact OD1-CA 3.31Å; D493-R495 WeakPolarHBondContact OD1-CB 3.5Å; D493-R495 PolarHBondContact OD1-N 3.14Å; D493-G496 PolarHBondContact O-N 3.37Å; D493-G496 PolarHBondContact OD1-N 3.48Å; D493-N497 PolarHBondContact N-O 2.92Å; D493-N497 PolarHBondContact OD1-N 3.37Å; D493-N497 WeakPolarHBondContact OD2-CB 3.28Å; D493-N497 PolarHBondContact OD2-ND2 3.17Å; D493-I499 HydrophobicContact CB-CD1 3.94Å; D493-I499 HydrophobicContact CB-CG1 3.95Å; D493-R542 WeakPolarHBondContact O-CD 3.27Å
494	D	90.2	Very high	81.7	Confident	91 Å²	91	50.6 Å²	50.6	49%	0.487	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-5.2	178.3	60.1	-2.5	0	0	0	114.2	N695	D494-N695 HydrophobicContact CB-CB 3.84Å; D494-N695 PolarHBondContact OD2-ND2 2.81Å; D494-N695 VanDerWaalsContact OD2-ND2 3.11Å
495	R	88.5	Confident	78.7	Confident	210 Å²	210	54.6 Å²	54.6	79%	0.792	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.7	-0.7	175	-59.3	179.1	-176.6	-170.4	-0.9	112.8	D493 N497	D493-R495 PolarHBondContact O-N 3.35Å; D493-R495 VanDerWaalsContact OD1-C 3.3Å; D493-R495 VanDerWaalsContact OD1-CA 3.3Å; D493-R495 WeakPolarHBondContact OD1-CA 3.31Å; D493-R495 WeakPolarHBondContact OD1-CB 3.5Å; D493-R495 PolarHBondContact OD1-N 3.14Å; R495-N497 WeakPolarHBondContact CB-ND2 3.39Å
496	G	87	Confident	75.9	Confident	25 Å²	25	62.6 Å²	62.6	26%	0.258	34%	0.336	S	S	.	.	S	Bend	trans	85.6	6.1	-178.3	0	0	0	0	0	114.5	V492 D493 R546	V492-G496 VanDerWaalsContact CG1-C 3.46Å; D493-G496 PolarHBondContact O-N 3.37Å; D493-G496 PolarHBondContact OD1-N 3.48Å; G496-R546 PolarHBondContact O-NH1 2.97Å
497	N	89.2	Confident	73.4	Confident	90 Å²	90	68.2 Å²	68.2	48%	0.481	37%	0.374	S	S	.	.			trans	-85.4	137.9	176.8	-50	-64.2	0	0	0	110.5	V492 D493 R495	V492-N497 CarbonylContact C-O 3.06Å; V492-N497 WeakPolarHBondContact CA-O 3.46Å; D493-N497 PolarHBondContact N-O 2.92Å; D493-N497 PolarHBondContact OD1-N 3.37Å; D493-N497 WeakPolarHBondContact OD2-CB 3.28Å; D493-N497 PolarHBondContact OD2-ND2 3.17Å; R495-N497 WeakPolarHBondContact CB-ND2 3.39Å
498	S	88.1	Confident	71.1	Confident	35 Å²	35	72.3 Å²	72.3	25%	0.245	39%	0.389	C	S	.	.	B	Isolated β-bridge	trans	-69.1	135.5	174.4	-40.2	0	0	0	0	109.9	E490 R491 P500	E490-S498 WeakPolarHBondContact OE1-CB 3.49Å; E490-S498 PolarHBondContact OE1-OG 2.91Å; R491-S498 CarbonylContact O-C 3.48Å; R491-S498 VanDerWaalsContact O-CA 3.28Å; R491-S498 WeakPolarHBondContact O-CA 3.38Å; S498-P500 WeakPolarHBondContact O-CD 3.38Å
499	I	86.1	Confident	68.6	Low	52 Å²	52	79 Å²	79	27%	0.267	42%	0.415	S	S	.	.			trans	-92.8	114.4	-174.9	-56.5	178.8	0	0	0	110.2	R491 D493 S517 P539	R491-I499 HydrophobicContact CB-CB 4.13Å; R491-I499 PolarHBondContact O-N 3.29Å; D493-I499 HydrophobicContact CB-CD1 3.94Å; D493-I499 HydrophobicContact CB-CG1 3.95Å; I499-S517 CarbonylContact O-C 3.48Å; I499-S517 WeakPolarHBondContact O-CA 3.43Å; I499-S517 VanDerWaalsContact O-O 3.08Å; I499-P539 HydrophobicContact CD1-CB 3.88Å; I499-P539 HydrophobicContact CD1-CG 4.2Å
500	P	70.8	Confident	66.1	Low	84 Å²	84	85.6 Å²	85.6	55%	0.545	45%	0.454	S	S	.	.			trans	-52.2	141.2	174.6	-26.9	36.8	0	0	0	113.6	R491 S498 A502 V516	R491-P500 PolarHBondContact NH2-O 3.16Å; S498-P500 WeakPolarHBondContact O-CD 3.38Å; P500-A502 PolarHBondContact O-N 3.29Å; P500-V516 WeakPolarHBondContact CA-O 3.3Å
501	S	62.5	Low	63.6	Low	15 Å²	15	90.4 Å²	90.4	11%	0.105	49%	0.486	C	S	.	.			trans	-78.1	118.1	169.4	-176.5	0	0	0	0	110	K503 V516 T518	S501-K503 PolarHBondContact O-N 3.33Å; S501-V516 PolarHBondContact N-O 3.07Å; S501-V516 VanDerWaalsContact N-O 3.1Å; S501-T518 WeakPolarHBondContact CB-O 3.36Å
502	A	52.9	Low	61.1	Low	99 Å²	99	92.7 Å²	92.7	82%	0.818	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-6.4	-174.7	0	0	0	0	0	114.8	P500	P500-A502 PolarHBondContact O-N 3.29Å
503	K	49.3	Very low	58.6	Low	155 Å²	155	104.5 Å²	104.5	67%	0.674	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-133	27.6	-173.4	-78	-173.3	177.8	177	0	114.3	N373 S501 S505	N373-K503 PolarHBondContact OD1-NZ 3.3Å; N373-K503 VanDerWaalsContact OD1-NZ 3.09Å; S501-K503 PolarHBondContact O-N 3.33Å; K503-S505 VanDerWaalsContact C-N 3.29Å; K503-S505 PolarHBondContact O-N 2.86Å
504	M	39.7	Very low	56.2	Low	55 Å²	55	110.1 Å²	110.1	27%	0.271	57%	0.569	S	S	.	*			trans	-72	92.7	166.1	-156.8	79.9	80.2	0	0	108.3
505	S	34.4	Very low	54.2	Low	87 Å²	87	109.2 Å²	109.2	61%	0.608	56%	0.56	S	S	*	*			trans	-49	142.1	173	50.4	0	0	0	0	110.3	K503 C507	K503-S505 VanDerWaalsContact C-N 3.29Å; K503-S505 PolarHBondContact O-N 2.86Å; S505-C507 PolarHBondContact O-N 2.85Å
506	Q	34.4	Very low	52.3	Low	172 Å²	172	102.7 Å²	102.7	80%	0.804	54%	0.543	S	S	*	.	G	3₁₀ helix	trans	-54.1	-2.5	-170.2	-153	155.7	2	0	0	116.5	Y508 Y509	Q506-Y508 VanDerWaalsContact C-N 3.33Å; Q506-Y508 PolarHBondContact O-N 3.42Å; Q506-Y509 HydrophobicContact CG-CD2 4.28Å
507	C	39	Very low	50.6	Low	123 Å²	123	102.7 Å²	102.7	83%	0.831	54%	0.539	S	S	*	.	G	3₁₀ helix	trans	-77.5	2.4	-177.6	-69.4	0	0	0	0	116.2	S505	S505-C507 PolarHBondContact O-N 2.85Å
508	Y	39.8	Very low	49.5	Very low	114 Å²	114	98.9 Å²	98.9	45%	0.447	52%	0.519	S	S	.	.	G	3₁₀ helix	trans	-117.4	19.2	179.2	-145.2	-106.9	0	0	0	114.3	Q506 V510 L512	Q506-Y508 VanDerWaalsContact C-N 3.33Å; Q506-Y508 PolarHBondContact O-N 3.42Å; Y508-V510 PolarHBondContact O-N 3.01Å; Y508-L512 HydrophobicContact CD1-CB 4.35Å; Y508-L512 HydrophobicContact CE1-CB 3.82Å; Y508-L512 HydrophobicContact CE1-CD1 3.61Å; Y508-L512 HydrophobicContact CE1-CG 4.28Å; Y508-L512 WeakPolarHBondContact OH-CD1 3.47Å
509	Y	34.9	Very low	49.1	Very low	168 Å²	168	97.5 Å²	97.5	66%	0.659	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.9	8.8	-166.1	-101.5	-81.2	0	0	0	117.5	Q506	Q506-Y509 HydrophobicContact CG-CD2 4.28Å
510	V	36.4	Very low	48.9	Very low	138 Å²	138	97.8 Å²	97.8	84%	0.836	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.1	-13.3	-173.2	-178.3	0	0	0	0	115.9	Y508	Y508-V510 PolarHBondContact O-N 3.01Å
511	V	38	Very low	49.6	Very low	128 Å²	128	93.9 Å²	93.9	78%	0.776	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-128.1	-14.8	-175.7	-173.8	0	0	0	0	115.8
512	L	39.3	Very low	50.5	Low	60 Å²	60	95.2 Å²	95.2	31%	0.314	49%	0.486	S	S	.	.			trans	-136.3	70.3	-175.9	-80.9	167	0	0	0	112.1	Y508 M514 Y515	Y508-L512 HydrophobicContact CD1-CB 4.35Å; Y508-L512 HydrophobicContact CE1-CB 3.82Å; Y508-L512 HydrophobicContact CE1-CD1 3.61Å; Y508-L512 HydrophobicContact CE1-CG 4.28Å; Y508-L512 WeakPolarHBondContact OH-CD1 3.47Å; L512-M514 PolarHBondContact O-N 3.03Å; L512-Y515 HydrophobicContact CB-CD2 3.86Å; L512-Y515 HydrophobicContact CD1-CD2 4.34Å; L512-Y515 HydrophobicContact CD2-CD2 3.57Å; L512-Y515 HydrophobicContact CD2-CE2 3.34Å; L512-Y515 HydrophobicContact CG-CD2 4.1Å; L512-Y515 HydrophobicContact CG-CE2 4.3Å; L512-Y515 PolarHBondContact O-N 3.21Å
513	R	38.4	Very low	51.9	Low	254 Å²	254	92.9 Å²	92.9	96%	0.958	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	4.9	173.6	-140.4	-179.3	-171.7	-166.5	2.2	113.9
514	M	42.3	Very low	53.5	Low	157 Å²	157	85.5 Å²	85.5	77%	0.773	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.6	-4.9	-177.1	-130.7	166.6	81.4	0	0	114.6	L512	L512-M514 PolarHBondContact O-N 3.03Å
515	Y	48.1	Very low	55.8	Low	73 Å²	73	83.3 Å²	83.3	29%	0.286	42%	0.416	S	S	.	.			trans	-122.4	38	-169.9	-64.6	-92.2	0	0	0	114.1	F488 L512 S517 T518	F488-Y515 AromaticContact CD2-CD1 3.75Å; F488-Y515 HydrophobicContact CD2-CD1 3.75Å; F488-Y515 AromaticContact CD2-CE1 3.84Å; F488-Y515 HydrophobicContact CD2-CE1 3.84Å; F488-Y515 AromaticContact CE2-CD1 3.8Å; F488-Y515 HydrophobicContact CE2-CD1 3.8Å; F488-Y515 AromaticContact CE2-CE1 3.92Å; F488-Y515 HydrophobicContact CE2-CE1 3.92Å; F488-Y515 HydrophobicContact CE2-CG 4.38Å; F488-Y515 HydrophobicContact CG-CD1 4.21Å; F488-Y515 HydrophobicContact CZ-CD1 4.28Å; L512-Y515 HydrophobicContact CB-CD2 3.86Å; L512-Y515 HydrophobicContact CD1-CD2 4.34Å; L512-Y515 HydrophobicContact CD2-CD2 3.57Å; L512-Y515 HydrophobicContact CD2-CE2 3.34Å; L512-Y515 HydrophobicContact CG-CD2 4.1Å; L512-Y515 HydrophobicContact CG-CE2 4.3Å; L512-Y515 PolarHBondContact O-N 3.21Å; Y515-S517 VanDerWaalsContact C-N 3.3Å; Y515-T518 PolarHBondContact O-OG1 3.45Å
516	V	47.6	Very low	58.3	Low	72 Å²	72	80.8 Å²	80.8	44%	0.436	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-16.3	-179.3	-168.5	0	0	0	0	112	P500 S501	P500-V516 WeakPolarHBondContact CA-O 3.3Å; S501-V516 PolarHBondContact N-O 3.07Å; S501-V516 VanDerWaalsContact N-O 3.1Å
517	S	52.1	Low	60.8	Low	25 Å²	25	77 Å²	77	18%	0.175	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.3	16.8	-170.8	51.2	0	0	0	0	116.4	I499 Y515	I499-S517 CarbonylContact O-C 3.48Å; I499-S517 WeakPolarHBondContact O-CA 3.43Å; I499-S517 VanDerWaalsContact O-O 3.08Å; Y515-S517 VanDerWaalsContact C-N 3.3Å
518	T	66.3	Low	63.1	Low	10 Å²	10	71.6 Å²	71.6	6%	0.061	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	152.4	-164.3	61.2	0	0	0	0	113.8	F488 Y489 E490 S501 Y515	F488-T518 HydrophobicContact CB-CG2 4.32Å; F488-T518 WeakPolarHBondContact CD1-OG1 3.46Å; Y489-T518 CarbonylContact O-C 3.57Å; Y489-T518 WeakPolarHBondContact O-CA 3.35Å; Y489-T518 WeakPolarHBondContact O-CB 3.3Å; E490-T518 HydrophobicContact CB-CG2 4.48Å; S501-T518 WeakPolarHBondContact CB-O 3.36Å; Y515-T518 PolarHBondContact O-OG1 3.45Å
519	F	77.8	Confident	65.5	Low	6 Å²	6	67.1 Å²	67.1	3%	0.026	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	139.7	157.6	-66.6	-42.5	0	0	0	108.2	I390 F488 Y489 R491 K530 E534	I390-F519 HydrophobicContact CD1-CD2 3.74Å; I390-F519 HydrophobicContact CD1-CE2 4.07Å; F488-F519 CarbonylContact C-O 3.4Å; F488-F519 WeakPolarHBondContact CA-O 3.26Å; F488-F519 WeakPolarHBondContact CB-O 3.29Å; Y489-F519 HydrophobicContact CD2-CB 4.42Å; Y489-F519 PolarHBondContact N-O 3.16Å; Y489-F519 PolarHBondContact O-N 3.05Å; R491-F519 HydrophobicContact CG-CD2 4.44Å; R491-F519 HydrophobicContact CG-CE2 4.37Å; F519-K530 VanDerWaalsContact CE1-NZ 3.29Å; F519-K530 HydrophobicContact CE2-CD 4.42Å; F519-K530 HydrophobicContact CZ-CD 4.27Å; F519-E534 WeakPolarHBondContact CE1-OE2 3.28Å; F519-E534 HydrophobicContact CZ-CB 4.28Å; F519-E534 HydrophobicContact CZ-CG 4.49Å; F519-E534 WeakPolarHBondContact CZ-OE2 3.25Å
520	R	82.1	Confident	68	Low	59 Å²	59	61 Å²	61	22%	0.223	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	145	159.5	-69.9	178.6	54.8	95.1	14.1	108.8	E487 F488 D522 Q523	E487-R520 WeakPolarHBondContact O-CA 3.03Å; F488-R520 HydrophobicContact CD1-CB 4.37Å; F488-R520 HydrophobicContact CD1-CG 3.91Å; F488-R520 HydrophobicContact CE1-CB 4.48Å; F488-R520 HydrophobicContact CE1-CG 3.59Å; R520-D522 VanDerWaalsContact C-N 3.26Å; R520-D522 VanDerWaalsContact CB-OD1 3.25Å; R520-D522 WeakPolarHBondContact CB-OD1 3.34Å; R520-D522 IonicContact CZ-OD1 3.13Å; R520-D522 IonicContact NE-OD1 3.81Å; R520-D522 PolarHBondContact NE-OD1 3.26Å; R520-D522 IonicContact NE-OD2 3.9Å; R520-D522 IonicContact NH2-OD1 3.53Å; R520-D522 PolarHBondContact NH2-OD1 2.97Å; R520-D522 PolarHBondContact O-N 3.17Å; R520-Q523 HydrophobicContact CB-CG 3.99Å; R520-Q523 WeakPolarHBondContact O-CB 3.33Å; R520-Q523 PolarHBondContact O-N 2.7Å
521	F	86.9	Confident	70.5	Confident	1 Å²	1	54.7 Å²	54.7	0%	0.004	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-54.6	-45.9	-178.9	178.1	-87.5	0	0	0	111.1	F389 I485 T486 E487 Y489 Q523 G524 V525 M563	F389-F521 HydrophobicContact CD1-CE1 4.01Å; F389-F521 HydrophobicContact CD1-CE2 4.46Å; F389-F521 AromaticContact CD1-CZ 3.61Å; F389-F521 HydrophobicContact CD1-CZ 3.61Å; F389-F521 HydrophobicContact CD2-CZ 4.47Å; F389-F521 AromaticContact CE1-CE1 3.63Å; F389-F521 HydrophobicContact CE1-CE1 3.63Å; F389-F521 AromaticContact CE1-CZ 3.49Å; F389-F521 HydrophobicContact CE1-CZ 3.49Å; F389-F521 VanDerWaalsContact CE1-CZ 3.49Å; F389-F521 HydrophobicContact CE2-CZ 4.35Å; F389-F521 HydrophobicContact CG-CZ 4.14Å; F389-F521 HydrophobicContact CZ-CE1 4.24Å; F389-F521 AromaticContact CZ-CZ 3.89Å; F389-F521 HydrophobicContact CZ-CZ 3.89Å; I485-F521 HydrophobicContact CB-CE2 4.46Å; I485-F521 HydrophobicContact CD1-CE2 4.47Å; I485-F521 HydrophobicContact CD1-CZ 3.99Å; I485-F521 HydrophobicContact CG1-CE2 4.34Å; I485-F521 HydrophobicContact CG1-CZ 4.36Å; I485-F521 HydrophobicContact CG2-CD1 3.98Å; I485-F521 HydrophobicContact CG2-CD2 3.5Å; I485-F521 VanDerWaalsContact CG2-CD2 3.5Å; I485-F521 HydrophobicContact CG2-CE1 3.92Å; I485-F521 HydrophobicContact CG2-CE2 3.39Å; I485-F521 HydrophobicContact CG2-CG 3.79Å; I485-F521 HydrophobicContact CG2-CZ 3.62Å; T486-F521 WeakPolarHBondContact O-CB 2.94Å; E487-F521 PolarHBondContact O-N 2.82Å; Y489-F521 HydrophobicContact CD2-CD2 4.48Å; Y489-F521 HydrophobicContact CE1-CD2 4.03Å; Y489-F521 HydrophobicContact CE1-CE2 4.19Å; Y489-F521 HydrophobicContact CE2-CB 4.47Å; Y489-F521 AromaticContact CE2-CD2 3.68Å; Y489-F521 HydrophobicContact CE2-CD2 3.68Å; Y489-F521 HydrophobicContact CE2-CE2 4.18Å; Y489-F521 HydrophobicContact CE2-CG 4.24Å; Y489-F521 AromaticContact CZ-CD2 3.43Å; Y489-F521 VanDerWaalsContact CZ-CD2 3.43Å; Y489-F521 AromaticContact CZ-CE2 3.56Å; Y489-F521 WeakPolarHBondContact OH-CD2 3.31Å; Y489-F521 WeakPolarHBondContact OH-CE2 3.29Å; F521-Q523 PolarHBondContact O-N 2.7Å; F521-Q523 VanDerWaalsContact O-N 3.16Å; F521-G524 PolarHBondContact O-N 3.35Å; F521-V525 HydrophobicContact CD1-CG2 4.16Å; F521-V525 HydrophobicContact CE1-CG2 3.91Å; F521-M563 HydrophobicContact CD1-CE 4.41Å; F521-M563 HydrophobicContact CE1-CE 3.57Å; F521-M563 HydrophobicContact CE1-SD 4.07Å; F521-M563 HydrophobicContact CZ-CE 4.31Å
522	D	80.7	Confident	73	Confident	43 Å²	43	48.6 Å²	48.6	23%	0.23	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-59.9	-26.1	178.4	63.1	-80.4	0	0	0	113.8	R520 G524 V525	R520-D522 VanDerWaalsContact C-N 3.26Å; R520-D522 VanDerWaalsContact CB-OD1 3.25Å; R520-D522 WeakPolarHBondContact CB-OD1 3.34Å; R520-D522 IonicContact CZ-OD1 3.13Å; R520-D522 IonicContact NE-OD1 3.81Å; R520-D522 PolarHBondContact NE-OD1 3.26Å; R520-D522 IonicContact NE-OD2 3.9Å; R520-D522 IonicContact NH2-OD1 3.53Å; R520-D522 PolarHBondContact NH2-OD1 2.97Å; R520-D522 PolarHBondContact O-N 3.17Å; D522-G524 VanDerWaalsContact C-N 3.26Å; D522-G524 PolarHBondContact O-N 2.84Å; D522-V525 PolarHBondContact O-N 3.31Å
523	Q	81.8	Confident	75.4	Confident	50 Å²	50	48.4 Å²	48.4	23%	0.234	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-73.8	-17.5	175.1	-65.9	173.5	-16.2	0	0	113.2	R520 F521 K527 K530	R520-Q523 HydrophobicContact CB-CG 3.99Å; R520-Q523 WeakPolarHBondContact O-CB 3.33Å; R520-Q523 PolarHBondContact O-N 2.7Å; F521-Q523 PolarHBondContact O-N 2.7Å; F521-Q523 VanDerWaalsContact O-N 3.16Å; Q523-K527 VanDerWaalsContact O-CD 3.3Å; Q523-K527 WeakPolarHBondContact O-CD 3.23Å; Q523-K530 VanDerWaalsContact O-CD 3.23Å; Q523-K530 WeakPolarHBondContact O-CD 3.38Å; Q523-K530 WeakPolarHBondContact O-CE 3.37Å
524	G	84.3	Confident	77.8	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-94.1	-1.6	174.7	0	0	0	0	0	114.1	I390 F521 D522	I390-G524 WeakPolarHBondContact CG2-O 3.38Å; I390-G524 PolarHBondContact N-O 3.08Å; I390-G524 VanDerWaalsContact N-O 3.14Å; F521-G524 PolarHBondContact O-N 3.35Å; D522-G524 VanDerWaalsContact C-N 3.26Å; D522-G524 PolarHBondContact O-N 2.84Å
525	V	87.7	Confident	79.9	Confident	9 Å²	9	33.6 Å²	33.6	6%	0.055	17%	0.174	C	C	.	.	B	Isolated β-bridge	trans	-82.2	125.6	-179.8	-175.7	0	0	0	0	109.8	I388 F389 F521 D522 K527 M563 F564	I388-V525 CarbonylContact O-C 3.54Å; I388-V525 VanDerWaalsContact O-CA 3.31Å; I388-V525 WeakPolarHBondContact O-CA 3.08Å; F389-V525 HydrophobicContact CD1-CB 4.41Å; F389-V525 HydrophobicContact CD1-CG1 4.4Å; F389-V525 HydrophobicContact CD1-CG2 3.84Å; F389-V525 HydrophobicContact CE1-CB 4.45Å; F389-V525 HydrophobicContact CE1-CG1 4.13Å; F389-V525 HydrophobicContact CE1-CG2 3.75Å; F521-V525 HydrophobicContact CD1-CG2 4.16Å; F521-V525 HydrophobicContact CE1-CG2 3.91Å; D522-V525 PolarHBondContact O-N 3.31Å; V525-K527 WeakPolarHBondContact O-CG 3.43Å; V525-K527 PolarHBondContact O-N 2.99Å; V525-K527 VanDerWaalsContact O-N 3.07Å; V525-M563 HydrophobicContact CG2-SD 4.27Å; V525-F564 HydrophobicContact CG1-CD1 3.45Å; V525-F564 VanDerWaalsContact CG1-CD1 3.45Å; V525-F564 HydrophobicContact CG1-CE1 3.62Å; V525-F564 HydrophobicContact CG1-CG 4.37Å
526	L	85.8	Confident	82	Confident	34 Å²	34	30.3 Å²	30.3	18%	0.178	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.5	28	-179.6	-60.5	173.8	0	0	0	114.1	F43 I388 P528 F564	F43-L526 HydrophobicContact CB-CD1 3.95Å; F43-L526 HydrophobicContact CB-CD2 4.16Å; F43-L526 HydrophobicContact CD1-CD1 4.02Å; F43-L526 HydrophobicContact CD2-CD1 4.05Å; F43-L526 HydrophobicContact CD2-CD2 3.33Å; F43-L526 HydrophobicContact CD2-CG 4.35Å; F43-L526 HydrophobicContact CE2-CD2 3.86Å; F43-L526 HydrophobicContact CG-CD1 3.72Å; F43-L526 HydrophobicContact CG-CD2 3.83Å; F43-L526 HydrophobicContact CG-CG 4.43Å; I388-L526 HydrophobicContact CG1-CD2 4.39Å; I388-L526 PolarHBondContact O-N 2.81Å; L526-P528 WeakPolarHBondContact O-CD 3.45Å; L526-F564 HydrophobicContact CD1-CD1 3.82Å; L526-F564 HydrophobicContact CD1-CE1 4.23Å; L526-F564 HydrophobicContact CG-CD1 4.26Å; L526-F564 HydrophobicContact CG-CE1 4.31Å
527	K	87	Confident	84.3	Confident	93 Å²	93	27 Å²	27	40%	0.404	14%	0.142	S	C	.	.			trans	-124.6	52.9	-177.5	-72.2	171.7	-177.1	176.3	0	112.6	I390 Q523 V525 A529 K530	I390-K527 WeakPolarHBondContact CG2-O 3.42Å; Q523-K527 VanDerWaalsContact O-CD 3.3Å; Q523-K527 WeakPolarHBondContact O-CD 3.23Å; V525-K527 WeakPolarHBondContact O-CG 3.43Å; V525-K527 PolarHBondContact O-N 2.99Å; V525-K527 VanDerWaalsContact O-N 3.07Å; K527-A529 PolarHBondContact O-N 2.75Å; K527-A529 VanDerWaalsContact O-N 3.14Å; K527-K530 HydrophobicContact CB-CD 4.17Å; K527-K530 HydrophobicContact CB-CG 4.31Å; K527-K530 WeakPolarHBondContact O-CB 3.41Å; K527-K530 PolarHBondContact O-N 3.34Å; K527-K530 VanDerWaalsContact O-N 3.08Å
528	P	88.4	Confident	86.3	Confident	10 Å²	10	26.3 Å²	26.3	7%	0.065	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-28.6	-179.3	20.6	-31.1	0	0	0	113.9	A377 F379 L526 K530 L531	A377-P528 HydrophobicContact CB-CB 4.19Å; A377-P528 HydrophobicContact CB-CG 4.05Å; A377-P528 WeakPolarHBondContact O-CG 3.41Å; F379-P528 HydrophobicContact CD2-CB 3.73Å; F379-P528 HydrophobicContact CE2-CB 3.38Å; F379-P528 HydrophobicContact CZ-CB 4.31Å; L526-P528 WeakPolarHBondContact O-CD 3.45Å; P528-K530 PolarHBondContact O-N 3.49Å; P528-L531 WeakPolarHBondContact O-CB 3.33Å; P528-L531 PolarHBondContact O-N 3.44Å
529	A	88.6	Confident	87.6	Confident	19 Å²	19	26.3 Å²	26.3	16%	0.157	14%	0.136	C	C	.	.	H	α-helix	trans	-56.1	-25	176.8	0	0	0	0	0	113.3	C375 A377 K527 L531 L532 F533	C375-A529 HydrophobicContact CB-CB 4.08Å; A377-A529 HydrophobicContact CB-CB 4.11Å; K527-A529 PolarHBondContact O-N 2.75Å; K527-A529 VanDerWaalsContact O-N 3.14Å; A529-L531 VanDerWaalsContact C-N 3.25Å; A529-L531 PolarHBondContact O-N 2.84Å; A529-L532 WeakPolarHBondContact O-CB 3.45Å; A529-L532 PolarHBondContact O-N 3.3Å; A529-F533 WeakPolarHBondContact O-CD2 3.47Å; A529-F533 PolarHBondContact O-N 3.15Å
530	K	87.7	Confident	88.4	Confident	40 Å²	40	26.2 Å²	26.2	17%	0.174	14%	0.136	C	C	.	.	H	α-helix	trans	-57.4	-38.7	173.1	-73.7	-176.2	153.2	-74.8	0	112.5	F519 Q523 K527 P528 L532 E534	F519-K530 VanDerWaalsContact CE1-NZ 3.29Å; F519-K530 HydrophobicContact CE2-CD 4.42Å; F519-K530 HydrophobicContact CZ-CD 4.27Å; Q523-K530 VanDerWaalsContact O-CD 3.23Å; Q523-K530 WeakPolarHBondContact O-CD 3.38Å; Q523-K530 WeakPolarHBondContact O-CE 3.37Å; K527-K530 HydrophobicContact CB-CD 4.17Å; K527-K530 HydrophobicContact CB-CG 4.31Å; K527-K530 WeakPolarHBondContact O-CB 3.41Å; K527-K530 PolarHBondContact O-N 3.34Å; K527-K530 VanDerWaalsContact O-N 3.08Å; P528-K530 PolarHBondContact O-N 3.49Å; K530-L532 VanDerWaalsContact C-N 3.28Å; K530-L532 PolarHBondContact O-N 3.47Å; K530-E534 IonicContact NZ-OE1 2.86Å; K530-E534 PolarHBondContact NZ-OE1 3.32Å; K530-E534 WeakPolarHBondContact O-CA 3.34Å; K530-E534 WeakPolarHBondContact O-CB 3.25Å; K530-E534 PolarHBondContact O-N 3.38Å
531	L	89.8	Confident	89.1	Confident	5 Å²	5	23.4 Å²	23.4	3%	0.026	13%	0.126	C	C	.	.	H	α-helix	trans	-65.3	-35.3	177.1	-62.5	170.7	0	0	0	111.2	I390 V393 P528 A529 G536 V537 L540	I390-L531 HydrophobicContact CB-CD1 4.13Å; I390-L531 HydrophobicContact CB-CD2 4.1Å; I390-L531 HydrophobicContact CB-CG 4.06Å; I390-L531 HydrophobicContact CG2-CD1 4.3Å; I390-L531 HydrophobicContact CG2-CG 4.08Å; V393-L531 HydrophobicContact CB-CD1 3.69Å; V393-L531 HydrophobicContact CG1-CD1 3.58Å; V393-L531 HydrophobicContact CG2-CD1 4.34Å; P528-L531 WeakPolarHBondContact O-CB 3.33Å; P528-L531 PolarHBondContact O-N 3.44Å; A529-L531 VanDerWaalsContact C-N 3.25Å; A529-L531 PolarHBondContact O-N 2.84Å; L531-G536 WeakPolarHBondContact CD2-O 3.33Å; L531-G536 WeakPolarHBondContact O-CA 3.47Å; L531-G536 PolarHBondContact O-N 2.9Å; L531-V537 HydrophobicContact CD1-CG1 4.18Å; L531-V537 HydrophobicContact CD2-CG1 4.28Å; L531-L540 HydrophobicContact CD2-CD2 4.04Å
532	L	91.2	Very high	89.5	Confident	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-72.4	-32.6	-177.1	-59.5	-177.6	0	0	0	113.4	F356 N357 V361 F364 A377 F379 A529 K530	F356-L532 HydrophobicContact CD1-CB 4.03Å; F356-L532 HydrophobicContact CD1-CD1 4.13Å; F356-L532 HydrophobicContact CD1-CD2 4.19Å; F356-L532 HydrophobicContact CD1-CG 4.35Å; F356-L532 HydrophobicContact CE1-CB 4.12Å; F356-L532 HydrophobicContact CE1-CD1 4.28Å; N357-L532 PolarHBondContact ND2-O 3.05Å; V361-L532 HydrophobicContact CB-CD2 4.34Å; V361-L532 HydrophobicContact CG1-CD2 3.84Å; V361-L532 HydrophobicContact CG2-CD2 3.92Å; F364-L532 HydrophobicContact CE1-CD1 4.23Å; F364-L532 HydrophobicContact CE1-CD2 4.36Å; F364-L532 HydrophobicContact CE2-CD1 3.88Å; F364-L532 HydrophobicContact CZ-CD1 3.61Å; F364-L532 HydrophobicContact CZ-CD2 4.4Å; A377-L532 HydrophobicContact CB-CD1 3.61Å; F379-L532 HydrophobicContact CE1-CD2 4.19Å; F379-L532 HydrophobicContact CZ-CD1 4.37Å; F379-L532 HydrophobicContact CZ-CD2 3.85Å; F379-L532 HydrophobicContact CZ-CG 4.16Å; A529-L532 WeakPolarHBondContact O-CB 3.45Å; A529-L532 PolarHBondContact O-N 3.3Å; K530-L532 VanDerWaalsContact C-N 3.28Å; K530-L532 PolarHBondContact O-N 3.47Å
533	F	89.6	Confident	90.1	Very high	57 Å²	57	22.7 Å²	22.7	25%	0.25	12%	0.12	C	C	.	.	H	α-helix	trans	-113.2	-12.2	-174.6	-64.4	-80.2	0	0	0	114.7	F356 P372 C375 A529	F356-F533 HydrophobicContact CE1-CE1 4.1Å; F356-F533 HydrophobicContact CE1-CE2 4.22Å; F356-F533 AromaticContact CE1-CZ 3.71Å; F356-F533 HydrophobicContact CE1-CZ 3.71Å; F356-F533 HydrophobicContact CZ-CE1 4.39Å; F356-F533 AromaticContact CZ-CZ 3.9Å; F356-F533 HydrophobicContact CZ-CZ 3.9Å; P372-F533 HydrophobicContact CB-CB 3.96Å; P372-F533 HydrophobicContact CB-CD1 3.94Å; P372-F533 HydrophobicContact CB-CD2 4.19Å; P372-F533 HydrophobicContact CB-CG 3.76Å; C375-F533 HydrophobicContact CB-CE2 3.51Å; C375-F533 HydrophobicContact CB-CZ 4.11Å; C375-F533 VanDerWaalsContact SG-CE2 3.58Å; A529-F533 WeakPolarHBondContact O-CD2 3.47Å; A529-F533 PolarHBondContact O-N 3.15Å
534	E	87.6	Confident	90.8	Very high	64 Å²	64	20.4 Å²	20.4	30%	0.299	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118.8	36.4	-175.9	-48.8	-168.3	-134.1	0	0	113.5	R491 F519 K530	R491-E534 IonicContact CZ-OE2 3.77Å; R491-E534 IonicContact NH1-OE2 3.96Å; R491-E534 PolarHBondContact NH1-OE2 3.47Å; R491-E534 IonicContact NH2-OE2 3.8Å; F519-E534 WeakPolarHBondContact CE1-OE2 3.28Å; F519-E534 HydrophobicContact CZ-CB 4.28Å; F519-E534 HydrophobicContact CZ-CG 4.49Å; F519-E534 WeakPolarHBondContact CZ-OE2 3.25Å; K530-E534 IonicContact NZ-OE1 2.86Å; K530-E534 PolarHBondContact NZ-OE1 3.32Å; K530-E534 WeakPolarHBondContact O-CA 3.34Å; K530-E534 WeakPolarHBondContact O-CB 3.25Å; K530-E534 PolarHBondContact O-N 3.38Å
535	G	87.8	Confident	91.3	Very high	35 Å²	35	20.4 Å²	20.4	36%	0.361	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	106.3	7.1	164.6	0	0	0	0	0	116.8	H359 P539	H359-G535 PolarHBondContact CE1-O 2.87Å; G535-P539 WeakPolarHBondContact O-CD 3.4Å; G535-P539 WeakPolarHBondContact O-CG 3.38Å
536	G	92	Very high	91.6	Very high	5 Å²	5	25 Å²	25	5%	0.052	13%	0.126	C	C	.	.			trans	84.5	-165.3	179.3	0	0	0	0	0	113.6	H359 L531	H359-G536 WeakPolarHBondContact CE1-CA 3.48Å; H359-G536 PolarHBondContact CE1-N 2.84Å; H359-G536 VanDerWaalsContact CE1-N 3.28Å; H359-G536 WeakPolarHBondContact ND1-CA 3.14Å; H359-G536 PolarHBondContact NE2-N 3Å; L531-G536 WeakPolarHBondContact CD2-O 3.33Å; L531-G536 WeakPolarHBondContact O-CA 3.47Å; L531-G536 PolarHBondContact O-N 2.9Å
537	V	94.6	Very high	92	Very high	2 Å²	2	24.7 Å²	24.7	1%	0.012	12%	0.123	C	C	.	.	S	Bend	trans	-82.9	-23.2	178.3	-63.4	0	0	0	0	111.8	A394 T397 L531 L540 L541	A394-V537 HydrophobicContact CB-CB 3.83Å; A394-V537 HydrophobicContact CB-CG1 3.99Å; T397-V537 HydrophobicContact CG2-CG1 4.5Å; T397-V537 HydrophobicContact CG2-CG2 4.25Å; L531-V537 HydrophobicContact CD1-CG1 4.18Å; L531-V537 HydrophobicContact CD2-CG1 4.28Å; V537-L540 PolarHBondContact O-N 3.18Å; V537-L541 HydrophobicContact CB-CD1 4.29Å; V537-L541 HydrophobicContact CG2-CD1 4.13Å; V537-L541 WeakPolarHBondContact O-CG 3.47Å; V537-L541 PolarHBondContact O-N 2.9Å
538	E	95.2	Very high	92.3	Very high	10 Å²	10	24 Å²	24	5%	0.047	12%	0.121	C	C	.	.	H	α-helix	trans	-62.5	-45.9	-170.8	-64.9	76.4	-174.7	0	0	112.8	R401 L540 L541 R542 K694	R401-E538 IonicContact CZ-OE1 2.58Å; R401-E538 IonicContact NH1-OE1 3.41Å; R401-E538 PolarHBondContact NH1-OE1 3.45Å; R401-E538 IonicContact NH2-OE1 3.36Å; R401-E538 PolarHBondContact NH2-OE1 2.87Å; E538-L540 VanDerWaalsContact C-N 3.28Å; E538-L540 PolarHBondContact O-N 3.36Å; E538-L541 PolarHBondContact O-N 3.07Å; E538-R542 WeakPolarHBondContact O-CG 3.36Å; E538-R542 PolarHBondContact O-N 2.98Å; E538-K694 HydrophobicContact CG-CB 4.25Å
539	P	94	Very high	92.7	Very high	10 Å²	10	23.5 Å²	23.5	7%	0.065	12%	0.118	C	C	.	.	H	α-helix	trans	-64.1	-34.3	178.5	-22.4	34.4	0	0	0	113.7	R491 V492 I499 G535 G543	R491-P539 WeakPolarHBondContact CA-O 3.5Å; R491-P539 HydrophobicContact CB-CB 4.09Å; V492-P539 PolarHBondContact N-O 3.33Å; V492-P539 WeakPolarHBondContact O-CA 3Å; V492-P539 WeakPolarHBondContact O-CB 3.26Å; I499-P539 HydrophobicContact CD1-CB 3.88Å; I499-P539 HydrophobicContact CD1-CG 4.2Å; G535-P539 WeakPolarHBondContact O-CD 3.4Å; G535-P539 WeakPolarHBondContact O-CG 3.38Å; P539-G543 PolarHBondContact O-N 3.49Å; P539-G543 VanDerWaalsContact O-N 3.1Å
540	L	94	Very high	93	Very high	5 Å²	5	22.7 Å²	22.7	3%	0.026	11%	0.111	C	C	.	.	H	α-helix	trans	-70.3	-45.4	178.1	-176.3	62.2	0	0	0	111	I390 A391 Y489 L531 V537 E538 R542 G543 L544	I390-L540 HydrophobicContact CB-CD2 4.07Å; I390-L540 HydrophobicContact CD1-CD2 4.05Å; I390-L540 HydrophobicContact CG1-CD2 3.83Å; A391-L540 VanDerWaalsContact CA-CD2 3.49Å; A391-L540 HydrophobicContact CB-CD2 3.89Å; A391-L540 HydrophobicContact CB-CG 4.33Å; Y489-L540 HydrophobicContact CD1-CD1 3.85Å; Y489-L540 HydrophobicContact CG-CD1 3.91Å; L531-L540 HydrophobicContact CD2-CD2 4.04Å; V537-L540 PolarHBondContact O-N 3.18Å; E538-L540 VanDerWaalsContact C-N 3.28Å; E538-L540 PolarHBondContact O-N 3.36Å; L540-R542 VanDerWaalsContact C-N 3.33Å; L540-R542 PolarHBondContact O-N 3.19Å; L540-G543 CarbonylContact O-C 3.43Å; L540-G543 WeakPolarHBondContact O-CA 3.44Å; L540-G543 PolarHBondContact O-N 2.64Å; L540-G543 VanDerWaalsContact O-N 3.08Å; L540-L544 WeakPolarHBondContact O-CG 3.28Å; L540-L544 PolarHBondContact O-N 3.01Å
541	L	96	Very high	93.4	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-61	-39.9	176.4	-72.3	169.2	0	0	0	112.1	A394 L398 V537 E538 G543 L544 L545 M689 M693	A394-L541 HydrophobicContact CB-CD1 4.34Å; A394-L541 HydrophobicContact CB-CD2 3.81Å; A394-L541 HydrophobicContact CB-CG 3.89Å; L398-L541 HydrophobicContact CD1-CD1 4.09Å; L398-L541 HydrophobicContact CD1-CD2 3.93Å; L398-L541 HydrophobicContact CD2-CD1 3.92Å; L398-L541 HydrophobicContact CG-CD1 4.01Å; V537-L541 HydrophobicContact CB-CD1 4.29Å; V537-L541 HydrophobicContact CG2-CD1 4.13Å; V537-L541 WeakPolarHBondContact O-CG 3.47Å; V537-L541 PolarHBondContact O-N 2.9Å; E538-L541 PolarHBondContact O-N 3.07Å; L541-G543 VanDerWaalsContact C-N 3.33Å; L541-L544 HydrophobicContact CD2-CD1 4.35Å; L541-L544 PolarHBondContact O-N 2.62Å; L541-L545 PolarHBondContact O-N 3.22Å; L541-M689 HydrophobicContact CB-CE 4.3Å; L541-M693 HydrophobicContact CB-CE 3.56Å; L541-M693 HydrophobicContact CB-SD 3.68Å; L541-M693 HydrophobicContact CD1-CE 4.36Å; L541-M693 HydrophobicContact CD1-CG 3.91Å; L541-M693 HydrophobicContact CD1-SD 3.8Å; L541-M693 HydrophobicContact CG-SD 4.33Å
542	R	95.3	Very high	93.7	Very high	29 Å²	29	26 Å²	26	11%	0.109	12%	0.122	C	C	.	.	H	α-helix	trans	-63.4	-39.3	172.3	-68.7	-171.4	-166.4	91	3.1	112.1	V492 D493 E538 L540 L544 L545 R546 M693 K694 N695	V492-R542 HydrophobicContact CB-CB 3.78Å; V492-R542 HydrophobicContact CG1-CB 4.36Å; D493-R542 WeakPolarHBondContact O-CD 3.27Å; E538-R542 WeakPolarHBondContact O-CG 3.36Å; E538-R542 PolarHBondContact O-N 2.98Å; L540-R542 VanDerWaalsContact C-N 3.33Å; L540-R542 PolarHBondContact O-N 3.19Å; R542-L544 VanDerWaalsContact C-N 3.35Å; R542-L545 PolarHBondContact O-N 3.11Å; R542-R546 PolarHBondContact O-N 3.34Å; R542-M693 HydrophobicContact CG-CE 3.81Å; R542-K694 PolarHBondContact NH2-O 3.35Å; R542-N695 PolarHBondContact NH2-O 3.21Å
543	G	94.2	Very high	93.8	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-59	-43.7	172.2	0	0	0	0	0	112.7	E490 P539 L540 L541 L545 R546 M547	E490-G543 WeakPolarHBondContact O-CA 3.46Å; P539-G543 PolarHBondContact O-N 3.49Å; P539-G543 VanDerWaalsContact O-N 3.1Å; L540-G543 CarbonylContact O-C 3.43Å; L540-G543 WeakPolarHBondContact O-CA 3.44Å; L540-G543 PolarHBondContact O-N 2.64Å; L540-G543 VanDerWaalsContact O-N 3.08Å; L541-G543 VanDerWaalsContact C-N 3.33Å; G543-L545 VanDerWaalsContact C-N 3.26Å; G543-L545 PolarHBondContact O-N 3.31Å; G543-R546 PolarHBondContact O-N 3.4Å; G543-R546 VanDerWaalsContact O-N 3.11Å; G543-M547 WeakPolarHBondContact O-CB 3.23Å; G543-M547 VanDerWaalsContact O-CG 3.27Å; G543-M547 WeakPolarHBondContact O-CG 3.05Å; G543-M547 PolarHBondContact O-N 3.35Å
544	L	95.7	Very high	94	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.005	13%	0.13	C	C	.	.	H	α-helix	trans	-62.2	-31.2	177	-65.4	-179.2	0	0	0	113.5	N244 M245 L246 Q249 A391 L540 L541 R542	N244-L544 WeakPolarHBondContact CB-O 3.2Å; M245-L544 HydrophobicContact CB-CD2 3.96Å; M245-L544 HydrophobicContact CG-CD2 3.72Å; M245-L544 PolarHBondContact N-O 2.88Å; L246-L544 HydrophobicContact CB-CB 4.25Å; L246-L544 HydrophobicContact CD1-CD1 4.12Å; L246-L544 PolarHBondContact N-O 3.13Å; Q249-L544 HydrophobicContact CB-CD1 4.17Å; Q249-L544 HydrophobicContact CG-CD1 4.23Å; A391-L544 HydrophobicContact CB-CD1 4.26Å; L540-L544 WeakPolarHBondContact O-CG 3.28Å; L540-L544 PolarHBondContact O-N 3.01Å; L541-L544 HydrophobicContact CD2-CD1 4.35Å; L541-L544 PolarHBondContact O-N 2.62Å; R542-L544 VanDerWaalsContact C-N 3.35Å
545	L	95.9	Very high	94.4	Very high	1 Å²	1	25 Å²	25	1%	0.005	12%	0.116	C	C	.	.	H	α-helix	trans	-73	-33.6	174.5	-69.7	-178.5	0	0	0	112.9	N244 L246 L541 R542 G543 M689 G703 L707	N244-L545 WeakPolarHBondContact CB-O 3.48Å; N244-L545 WeakPolarHBondContact ND2-CD2 3.29Å; L246-L545 HydrophobicContact CD2-CD2 4.24Å; L541-L545 PolarHBondContact O-N 3.22Å; R542-L545 PolarHBondContact O-N 3.11Å; G543-L545 VanDerWaalsContact C-N 3.26Å; G543-L545 PolarHBondContact O-N 3.31Å; L545-M689 HydrophobicContact CD1-CE 3.47Å; L545-M689 VanDerWaalsContact CD1-CE 3.47Å; L545-M689 HydrophobicContact CD1-SD 4.17Å; L545-M689 HydrophobicContact CD2-CE 3.75Å; L545-M689 HydrophobicContact CD2-SD 3.74Å; L545-M689 HydrophobicContact CG-CE 3.57Å; L545-M689 HydrophobicContact CG-SD 4.24Å; L545-G703 WeakPolarHBondContact CD2-O 3.47Å; L545-L707 HydrophobicContact CB-CB 4.02Å; L545-L707 HydrophobicContact CB-CD1 3.97Å; L545-L707 HydrophobicContact CD1-CD1 4Å; L545-L707 WeakPolarHBondContact O-CB 3.07Å; L545-L707 PolarHBondContact O-N 2.76Å
546	R	93.2	Very high	94.6	Very high	106 Å²	106	23.5 Å²	23.5	40%	0.4	10%	0.099	S	C	.	.	H	α-helix	trans	-84	-37.3	-176.6	-178.5	176.3	171.8	161.6	-3.7	112.7	E490 G496 R542 G543	E490-R546 IonicContact OE1-CZ 3.51Å; E490-R546 IonicContact OE1-NE 3.52Å; E490-R546 PolarHBondContact OE1-NE 2.81Å; E490-R546 IonicContact OE1-NH1 2.7Å; E490-R546 IonicContact OE2-NE 2.91Å; G496-R546 PolarHBondContact O-NH1 2.97Å; R542-R546 PolarHBondContact O-N 3.34Å; G543-R546 PolarHBondContact O-N 3.4Å; G543-R546 VanDerWaalsContact O-N 3.11Å
547	M	93.7	Very high	94.4	Very high	27 Å²	27	25.3 Å²	25.3	13%	0.133	11%	0.109	C	C	.	.	S	Bend	trans	-71.6	131.2	-178.5	-71.6	176.2	71.2	0	0	111.2	N244 M245 T486 F488 E490 G543	N244-M547 CarbonylContact C-O 2.87Å; N244-M547 WeakPolarHBondContact CA-O 3.12Å; M245-M547 HydrophobicContact CB-CB 3.89Å; M245-M547 PolarHBondContact N-O 3.32Å; T486-M547 HydrophobicContact CG2-CE 4.21Å; T486-M547 WeakPolarHBondContact OG1-CE 3.37Å; F488-M547 WeakPolarHBondContact O-CE 3.3Å; E490-M547 HydrophobicContact CB-CG 3.72Å; E490-M547 HydrophobicContact CB-SD 3.56Å; E490-M547 VanDerWaalsContact CB-SD 3.56Å; E490-M547 PolarHBondContact N-SD 2.76Å; G543-M547 WeakPolarHBondContact O-CB 3.23Å; G543-M547 VanDerWaalsContact O-CG 3.27Å; G543-M547 WeakPolarHBondContact O-CG 3.05Å; G543-M547 PolarHBondContact O-N 3.35Å
548	E	95.1	Very high	94.1	Very high	77 Å²	77	25.2 Å²	25.2	36%	0.36	11%	0.109	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	142.2	168	-54.8	-173.3	161.1	0	0	110.7	T239 G241 V706	T239-E548 VanDerWaalsContact CB-OE2 3.22Å; T239-E548 WeakPolarHBondContact CB-OE2 3.39Å; T239-E548 HydrophobicContact CG2-CB 4.02Å; T239-E548 PolarHBondContact OG1-OE2 2.65Å; G241-E548 WeakPolarHBondContact CA-OE1 3.33Å; E548-V706 HydrophobicContact CB-CG2 4.48Å; E548-V706 HydrophobicContact CG-CG1 4.35Å; E548-V706 HydrophobicContact CG-CG2 4.02Å
549	V	95.9	Very high	93.9	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	139	177	75.5	0	0	0	0	110.9	T239 S240 W243 M245 L247 M248 M484	T239-V549 CarbonylContact C-O 3.55Å; T239-V549 VanDerWaalsContact CA-O 3.24Å; T239-V549 WeakPolarHBondContact CA-O 3.43Å; T239-V549 WeakPolarHBondContact CB-O 3.24Å; S240-V549 PolarHBondContact N-O 2.77Å; W243-V549 HydrophobicContact CB-CG1 3.86Å; W243-V549 WeakPolarHBondContact O-CG1 3.41Å; W243-V549 PolarHBondContact O-N 2.96Å; M245-V549 HydrophobicContact SD-CG2 4.08Å; L247-V549 HydrophobicContact CD2-CG1 4.49Å; M248-V549 HydrophobicContact CB-CG2 4.18Å; M484-V549 HydrophobicContact CB-CG2 4.32Å; M484-V549 HydrophobicContact CE-CG2 3.24Å
550	K	95.5	Very high	93.9	Very high	3 Å²	3	24.2 Å²	24.2	1%	0.013	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	140.8	174.4	-178.7	-177.4	173.9	-59.1	0	110.6	L237 V238 G483 M484 I485 T486 R554 T556	L237-K550 HydrophobicContact CD1-CB 3.87Å; L237-K550 HydrophobicContact CD1-CD 3.8Å; L237-K550 HydrophobicContact CD1-CG 3.73Å; V238-K550 WeakPolarHBondContact O-CG 3.4Å; G483-K550 WeakPolarHBondContact O-CD 3.45Å; G483-K550 PolarHBondContact O-NZ 3.46Å; M484-K550 WeakPolarHBondContact CA-O 3.34Å; M484-K550 WeakPolarHBondContact CG-O 3.29Å; M484-K550 WeakPolarHBondContact O-CB 3.22Å; I485-K550 WeakPolarHBondContact O-CD 3.32Å; T486-K550 HydrophobicContact CG2-CB 4Å; K550-R554 PolarHBondContact NZ-O 2.88Å; K550-T556 HydrophobicContact CD-CG2 3.7Å
551	R	94.9	Very high	93.6	Very high	112 Å²	112	25.2 Å²	25.2	42%	0.423	11%	0.108	S	C	.	.	P	Polyproline II helix	trans	-69.1	137.5	170.9	-70.3	-168.4	177.4	151.4	-2.4	111.4	V238 Q553	V238-R551 HydrophobicContact CG1-CB 4.49Å; V238-R551 HydrophobicContact CG1-CG 4.34Å; V238-R551 PolarHBondContact O-N 2.82Å; R551-Q553 PolarHBondContact O-N 2.79Å
552	P	96	Very high	93	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.006	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-17.8	-169	28.8	-35.6	0	0	0	115.8	F480 G483 M484 R554 L633 L642	F480-P552 HydrophobicContact CB-CB 4.38Å; F480-P552 HydrophobicContact CD2-CB 4.1Å; F480-P552 HydrophobicContact CD2-CG 4.16Å; F480-P552 VanDerWaalsContact O-CB 3.25Å; F480-P552 WeakPolarHBondContact O-CB 3.28Å; G483-P552 WeakPolarHBondContact CA-O 3.4Å; M484-P552 HydrophobicContact CG-CB 3.96Å; M484-P552 HydrophobicContact CG-CG 4.49Å; P552-R554 PolarHBondContact O-N 3.43Å; P552-L633 HydrophobicContact CB-CD1 4.02Å; P552-L633 VanDerWaalsContact O-CD1 3.23Å; P552-L633 WeakPolarHBondContact O-CD1 3.37Å; P552-L633 WeakPolarHBondContact O-CG 3.48Å; P552-L642 WeakPolarHBondContact CD-O 3.01Å; P552-L642 WeakPolarHBondContact CG-O 3.34Å
553	Q	94.9	Very high	92.5	Very high	29 Å²	29	25 Å²	25	14%	0.136	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-19.4	-167.1	-75.5	64.1	32	0	0	115.6	R551 L633 E635 L642	R551-Q553 PolarHBondContact O-N 2.79Å; Q553-L633 VanDerWaalsContact CA-O 3.27Å; Q553-L633 WeakPolarHBondContact CA-O 3.35Å; Q553-L633 WeakPolarHBondContact CG-O 3.43Å; Q553-E635 WeakPolarHBondContact CG-O 3.41Å; Q553-E635 PolarHBondContact NE2-O 2.8Å; Q553-L642 PolarHBondContact NE2-O 2.75Å; Q553-L642 VanDerWaalsContact NE2-O 3.08Å
554	R	93.5	Very high	91.8	Very high	73 Å²	73	27.2 Å²	27.2	28%	0.275	12%	0.119	S	C	.	.	S	Bend	trans	-130.3	160.4	172.8	-59.3	-65.6	-170	131.3	11.6	109.9	L231 L232 K550 P552	L231-R554 WeakPolarHBondContact O-CD 3.26Å; L231-R554 PolarHBondContact O-NH1 3.19Å; L232-R554 CarbonylContact O-C 3.47Å; L232-R554 VanDerWaalsContact O-CA 3.27Å; L232-R554 WeakPolarHBondContact O-CA 3.49Å; L232-R554 WeakPolarHBondContact O-CB 3.42Å; K550-R554 PolarHBondContact NZ-O 2.88Å; P552-R554 PolarHBondContact O-N 3.43Å
555	V	94.8	Very high	90.8	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	13%	0.134	C	C	.	.	B	Isolated β-bridge	trans	-118.8	136.5	-175.4	-173.4	0	0	0	0	110.2	L232 S233 S234 V559 T560 A570 L633	L232-V555 HydrophobicContact CB-CG2 4.26Å; L232-V555 PolarHBondContact O-N 2.77Å; S233-V555 WeakPolarHBondContact CA-O 3.42Å; S234-V555 PolarHBondContact N-O 2.77Å; V555-V559 HydrophobicContact CG1-CB 3.57Å; V555-V559 HydrophobicContact CG1-CG1 3.49Å; V555-V559 VanDerWaalsContact CG1-CG1 3.49Å; V555-V559 HydrophobicContact CG1-CG2 4.35Å; V555-T560 HydrophobicContact CB-CG2 3.89Å; V555-T560 HydrophobicContact CG1-CG2 3.67Å; V555-A570 HydrophobicContact CG1-CB 4.38Å; V555-L633 HydrophobicContact CG2-CD2 3.84Å
556	T	92.3	Very high	89.8	Confident	3 Å²	3	31 Å²	31	2%	0.018	15%	0.15	C	C	.	.			trans	-71	156.8	-178.5	49	0	0	0	0	112.6	I485 E487 K550 S558 V559 T560	I485-T556 WeakPolarHBondContact O-CG2 3.25Å; I485-T556 PolarHBondContact O-OG1 3Å; E487-T556 HydrophobicContact CG-CG2 4.13Å; E487-T556 VanDerWaalsContact OE1-CB 3.31Å; E487-T556 WeakPolarHBondContact OE1-CB 3.36Å; K550-T556 HydrophobicContact CD-CG2 3.7Å; T556-S558 VanDerWaalsContact C-N 3.28Å; T556-S558 PolarHBondContact O-N 3.21Å; T556-V559 WeakPolarHBondContact O-CB 3.45Å; T556-V559 PolarHBondContact O-N 2.97Å; T556-V559 WeakPolarHBondContact OG1-CG2 3.25Å; T556-T560 PolarHBondContact O-N 3.17Å; T556-T560 PolarHBondContact O-OG1 2.89Å
557	T	89.1	Confident	89.3	Confident	42 Å²	42	28 Å²	28	26%	0.258	14%	0.143	S	C	.	.	H	α-helix	trans	-68.2	-25.6	179	63.7	0	0	0	0	113.1	E487 V559 T560 E561 N562	E487-T557 WeakPolarHBondContact OE1-CA 3.38Å; E487-T557 PolarHBondContact OE1-N 3.41Å; E487-T557 PolarHBondContact OE1-OG1 3.32Å; T557-V559 PolarHBondContact O-N 2.8Å; T557-T560 WeakPolarHBondContact CA-OG1 3.32Å; T557-E561 HydrophobicContact CG2-CG 4.41Å; T557-E561 WeakPolarHBondContact O-CA 3.29Å; T557-E561 VanDerWaalsContact O-CB 3.26Å; T557-E561 WeakPolarHBondContact O-CB 3.5Å; T557-E561 PolarHBondContact O-N 3.49Å; T557-N562 PolarHBondContact O-N 3.12Å
558	S	87.6	Confident	89.3	Confident	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-57.1	-30	166.9	-78.9	0	0	0	0	113	E487 T556 N562 M563	E487-S558 PolarHBondContact OE1-N 3.32Å; E487-S558 WeakPolarHBondContact OE2-CB 3.46Å; E487-S558 PolarHBondContact OE2-N 3.38Å; E487-S558 VanDerWaalsContact OE2-N 3.15Å; E487-S558 PolarHBondContact OE2-OG 3.12Å; T556-S558 VanDerWaalsContact C-N 3.28Å; T556-S558 PolarHBondContact O-N 3.21Å; S558-N562 CarbonylContact O-C 3.53Å; S558-M563 WeakPolarHBondContact O-CA 3.36Å; S558-M563 PolarHBondContact O-N 3.08Å; S558-M563 VanDerWaalsContact O-N 3.07Å
559	V	91.2	Very high	89.2	Confident	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-94.6	-35.4	-178.6	179.2	0	0	0	0	112.1	I485 V555 T556 T557 M563 L569	I485-V559 HydrophobicContact CB-CG2 3.74Å; I485-V559 HydrophobicContact CD1-CG2 3.86Å; I485-V559 HydrophobicContact CG1-CG2 4.4Å; I485-V559 HydrophobicContact CG2-CG2 3.55Å; V555-V559 HydrophobicContact CG1-CB 3.57Å; V555-V559 HydrophobicContact CG1-CG1 3.49Å; V555-V559 VanDerWaalsContact CG1-CG1 3.49Å; V555-V559 HydrophobicContact CG1-CG2 4.35Å; T556-V559 WeakPolarHBondContact O-CB 3.45Å; T556-V559 PolarHBondContact O-N 2.97Å; T556-V559 WeakPolarHBondContact OG1-CG2 3.25Å; T557-V559 PolarHBondContact O-N 2.8Å; V559-M563 HydrophobicContact CB-CE 4.08Å; V559-M563 HydrophobicContact CG1-CE 4.06Å; V559-M563 HydrophobicContact CG2-CE 3.75Å; V559-M563 WeakPolarHBondContact O-CB 3.31Å; V559-L569 HydrophobicContact CG1-CB 3.84Å; V559-L569 HydrophobicContact CG1-CD2 4.12Å; V559-L569 HydrophobicContact CG1-CG 4.36Å; V559-L569 PolarHBondContact O-N 3.44Å
560	T	92.7	Very high	89.2	Confident	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-90.1	-21	-177.6	57.8	0	0	0	0	114.6	R225 S233 V555 T556 T557 D568 A570	R225-T560 PolarHBondContact NH1-O 2.91Å; R225-T560 VanDerWaalsContact NH1-O 3.09Å; S233-T560 PolarHBondContact OG-OG1 3.33Å; V555-T560 HydrophobicContact CB-CG2 3.89Å; V555-T560 HydrophobicContact CG1-CG2 3.67Å; T556-T560 PolarHBondContact O-N 3.17Å; T556-T560 PolarHBondContact O-OG1 2.89Å; T557-T560 WeakPolarHBondContact CA-OG1 3.32Å; T560-D568 WeakPolarHBondContact O-CA 3.27Å; T560-D568 WeakPolarHBondContact O-CB 3.02Å; T560-A570 HydrophobicContact CG2-CB 3.85Å
561	E	88.4	Confident	89.3	Confident	26 Å²	26	24 Å²	24	12%	0.121	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123	-28.9	-172.7	-52.1	-56.8	147.6	0	0	114.5	R225 R290 F291 T557	R225-E561 IonicContact CZ-OE1 2.94Å; R225-E561 IonicContact CZ-OE2 2.78Å; R225-E561 IonicContact NH1-OE1 2.74Å; R225-E561 PolarHBondContact NH1-OE1 2.75Å; R225-E561 IonicContact NH1-OE2 2.74Å; R225-E561 IonicContact NH2-OE1 3.83Å; R225-E561 PolarHBondContact NH2-OE1 3.24Å; R225-E561 IonicContact NH2-OE2 3.75Å; R225-E561 PolarHBondContact NH2-OE2 3.33Å; R290-E561 WeakPolarHBondContact CB-OE2 3.49Å; R290-E561 HydrophobicContact CG-CB 4.27Å; R290-E561 WeakPolarHBondContact CG-OE2 3.33Å; R290-E561 PolarHBondContact NE-O 3.35Å; R290-E561 VanDerWaalsContact NE-O 3.15Å; F291-E561 WeakPolarHBondContact CZ-O 3.02Å; T557-E561 HydrophobicContact CG2-CG 4.41Å; T557-E561 WeakPolarHBondContact O-CA 3.29Å; T557-E561 VanDerWaalsContact O-CB 3.26Å; T557-E561 WeakPolarHBondContact O-CB 3.5Å; T557-E561 PolarHBondContact O-N 3.49Å
562	N	83.1	Confident	89.4	Confident	25 Å²	25	19.8 Å²	19.8	13%	0.134	11%	0.112	C	C	.	.	S	Bend	trans	-130.7	9.4	-167.7	-58.9	-67.6	0	0	0	113.9	T557 S558 F564 G565	T557-N562 PolarHBondContact O-N 3.12Å; S558-N562 CarbonylContact O-C 3.53Å; N562-F564 PolarHBondContact O-N 3.47Å; N562-G565 PolarHBondContact O-N 3.46Å; N562-G565 VanDerWaalsContact O-N 3.07Å
563	M	84.5	Confident	89.5	Confident	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.112	C	C	.	.	B	Isolated β-bridge	trans	-65.5	133.5	-180	-175	63.6	71.7	0	0	108.9	F389 F521 V525 S558 V559 G565 S566 T567 L569	F389-M563 HydrophobicContact CE1-CE 4.34Å; F389-M563 HydrophobicContact CE1-SD 3.83Å; F389-M563 HydrophobicContact CZ-CE 4.22Å; F389-M563 HydrophobicContact CZ-SD 4.03Å; F521-M563 HydrophobicContact CD1-CE 4.41Å; F521-M563 HydrophobicContact CE1-CE 3.57Å; F521-M563 HydrophobicContact CE1-SD 4.07Å; F521-M563 HydrophobicContact CZ-CE 4.31Å; V525-M563 HydrophobicContact CG2-SD 4.27Å; S558-M563 WeakPolarHBondContact O-CA 3.36Å; S558-M563 PolarHBondContact O-N 3.08Å; S558-M563 VanDerWaalsContact O-N 3.07Å; V559-M563 HydrophobicContact CB-CE 4.08Å; V559-M563 HydrophobicContact CG1-CE 4.06Å; V559-M563 HydrophobicContact CG2-CE 3.75Å; V559-M563 WeakPolarHBondContact O-CB 3.31Å; M563-G565 PolarHBondContact O-N 2.77Å; M563-G565 VanDerWaalsContact O-N 3.17Å; M563-S566 PolarHBondContact O-N 2.87Å; M563-T567 WeakPolarHBondContact CB-O 3.44Å; M563-T567 PolarHBondContact N-O 3.23Å; M563-T567 WeakPolarHBondContact O-CA 3.44Å; M563-T567 WeakPolarHBondContact O-CB 3.24Å; M563-T567 PolarHBondContact O-N 2.95Å; M563-L569 HydrophobicContact CB-CB 4.31Å; M563-L569 HydrophobicContact CE-CD2 3.98Å; M563-L569 HydrophobicContact CG-CB 4.06Å; M563-L569 HydrophobicContact CG-CD2 4.45Å
564	F	81	Confident	89.6	Confident	46 Å²	46	18.4 Å²	18.4	20%	0.202	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	46.4	45	-172	-51	-69.4	0	0	0	111.2	W40 I388 V525 L526 N562 S566	W40-F564 WeakPolarHBondContact CH2-O 3.25Å; W40-F564 VanDerWaalsContact CZ2-C 3.48Å; W40-F564 WeakPolarHBondContact CZ2-O 3.14Å; I388-F564 HydrophobicContact CG2-CE1 3.87Å; I388-F564 HydrophobicContact CG2-CZ 3.93Å; V525-F564 HydrophobicContact CG1-CD1 3.45Å; V525-F564 VanDerWaalsContact CG1-CD1 3.45Å; V525-F564 HydrophobicContact CG1-CE1 3.62Å; V525-F564 HydrophobicContact CG1-CG 4.37Å; L526-F564 HydrophobicContact CD1-CD1 3.82Å; L526-F564 HydrophobicContact CD1-CE1 4.23Å; L526-F564 HydrophobicContact CG-CD1 4.26Å; L526-F564 HydrophobicContact CG-CE1 4.31Å; N562-F564 PolarHBondContact O-N 3.47Å; F564-S566 PolarHBondContact O-N 3.01Å
565	G	73.5	Confident	89.8	Confident	32 Å²	32	15.2 Å²	15.2	33%	0.33	9%	0.094	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.7	-34	176.8	0	0	0	0	0	117.5	R290 N562 M563	R290-G565 PolarHBondContact NH2-O 3.22Å; N562-G565 PolarHBondContact O-N 3.46Å; N562-G565 VanDerWaalsContact O-N 3.07Å; M563-G565 PolarHBondContact O-N 2.77Å; M563-G565 VanDerWaalsContact O-N 3.17Å
566	S	75.2	Confident	90	Very high	50 Å²	50	16.2 Å²	16.2	35%	0.35	10%	0.097	S	C	.	.	T	Hydrogen-bonded Turn	trans	-154.4	25.7	-174.1	67.4	0	0	0	0	114.3	F291 M563 F564	F291-S566 VanDerWaalsContact CE1-O 3.29Å; F291-S566 WeakPolarHBondContact CE1-O 3.33Å; M563-S566 PolarHBondContact O-N 2.87Å; F564-S566 PolarHBondContact O-N 3.01Å
567	T	82.3	Confident	90.3	Very high	41 Å²	41	16.5 Å²	16.5	25%	0.252	10%	0.101	S	C	.	.	B	Isolated β-bridge	trans	-117.6	150.2	-179.4	-49.6	0	0	0	0	111.2	M563	M563-T567 WeakPolarHBondContact CB-O 3.44Å; M563-T567 PolarHBondContact N-O 3.23Å; M563-T567 WeakPolarHBondContact O-CA 3.44Å; M563-T567 WeakPolarHBondContact O-CB 3.24Å; M563-T567 PolarHBondContact O-N 2.95Å
568	D	92.8	Very high	90.7	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	9%	0.091	C	C	.	.			trans	-105.9	104.3	166.8	-176.6	-21.3	0	0	0	109.3	R225 T228 F291 L300 T560 A570 S571 T572	R225-D568 VanDerWaalsContact CD-OD2 3.29Å; R225-D568 WeakPolarHBondContact CD-OD2 3.5Å; R225-D568 IonicContact CZ-OD2 2.76Å; R225-D568 IonicContact NE-OD2 4Å; R225-D568 IonicContact NH1-OD2 3.69Å; R225-D568 PolarHBondContact NH1-OD2 3.42Å; T228-D568 PolarHBondContact OG1-OD2 3.18Å; F291-D568 HydrophobicContact CE2-CB 4.03Å; F291-D568 HydrophobicContact CZ-CB 4.41Å; L300-D568 HydrophobicContact CD1-CB 3.65Å; T560-D568 WeakPolarHBondContact O-CA 3.27Å; T560-D568 WeakPolarHBondContact O-CB 3.02Å; D568-A570 VanDerWaalsContact C-N 3.35Å; D568-A570 WeakPolarHBondContact OD1-CA 3.38Å; D568-A570 WeakPolarHBondContact OD1-CB 3.45Å; D568-A570 PolarHBondContact OD1-N 2.96Å; D568-S571 VanDerWaalsContact CG-CB 3.42Å; D568-S571 PolarHBondContact O-N 3.09Å; D568-S571 PolarHBondContact OD1-N 2.78Å; D568-S571 PolarHBondContact OD1-OG 3.02Å; D568-S571 WeakPolarHBondContact OD2-CB 3.27Å; D568-S571 PolarHBondContact OD2-OG 3.39Å; D568-T572 PolarHBondContact O-N 3.46Å; D568-T572 PolarHBondContact O-OG1 2.85Å
569	L	94.3	Very high	91.2	Very high	23 Å²	23	14.9 Å²	14.9	12%	0.12	9%	0.091	C	C	.	.	H	α-helix	trans	-70.7	-32.6	-179.1	-178.9	60.6	0	0	0	111.9	V559 M563 S571 T572 N573	V559-L569 HydrophobicContact CG1-CB 3.84Å; V559-L569 HydrophobicContact CG1-CD2 4.12Å; V559-L569 HydrophobicContact CG1-CG 4.36Å; V559-L569 PolarHBondContact O-N 3.44Å; M563-L569 HydrophobicContact CB-CB 4.31Å; M563-L569 HydrophobicContact CE-CD2 3.98Å; M563-L569 HydrophobicContact CG-CB 4.06Å; M563-L569 HydrophobicContact CG-CD2 4.45Å; L569-S571 VanDerWaalsContact C-N 3.35Å; L569-T572 WeakPolarHBondContact O-CB 3.37Å; L569-T572 PolarHBondContact O-N 2.88Å; L569-N573 PolarHBondContact O-N 3.4Å; L569-N573 PolarHBondContact O-ND2 2.75Å; L569-N573 VanDerWaalsContact O-ND2 3.1Å; L569-N573 PolarHBondContact O-OD1 3.28Å
570	A	96.2	Very high	91.5	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-66.1	-41.9	177.3	0	0	0	0	0	110.5	T228 V555 T560 D568 T572 N573 V574	T228-A570 VanDerWaalsContact CG2-C 3.46Å; T228-A570 HydrophobicContact CG2-CB 3.72Å; V555-A570 HydrophobicContact CG1-CB 4.38Å; T560-A570 HydrophobicContact CG2-CB 3.85Å; D568-A570 VanDerWaalsContact C-N 3.35Å; D568-A570 WeakPolarHBondContact OD1-CA 3.38Å; D568-A570 WeakPolarHBondContact OD1-CB 3.45Å; D568-A570 PolarHBondContact OD1-N 2.96Å; A570-T572 VanDerWaalsContact C-N 3.31Å; A570-T572 PolarHBondContact O-N 2.99Å; A570-N573 WeakPolarHBondContact O-CB 3.31Å; A570-N573 PolarHBondContact O-N 3.17Å; A570-N573 VanDerWaalsContact O-N 3.11Å; A570-V574 PolarHBondContact O-N 3.48Å; A570-V574 VanDerWaalsContact O-N 3.16Å
571	S	97.4	Very high	91.8	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-66.8	-37.8	177	-66.4	0	0	0	0	111.1	A224 R225 T228 D568 L569 N573 V574 Q575	A224-S571 WeakPolarHBondContact CB-O 3.49Å; A224-S571 PolarHBondContact O-OG 3.24Å; R225-S571 VanDerWaalsContact CA-OG 3.26Å; R225-S571 WeakPolarHBondContact CA-OG 3.48Å; T228-S571 PolarHBondContact OG1-OG 3.25Å; D568-S571 VanDerWaalsContact CG-CB 3.42Å; D568-S571 PolarHBondContact O-N 3.09Å; D568-S571 PolarHBondContact OD1-N 2.78Å; D568-S571 PolarHBondContact OD1-OG 3.02Å; D568-S571 WeakPolarHBondContact OD2-CB 3.27Å; D568-S571 PolarHBondContact OD2-OG 3.39Å; L569-S571 VanDerWaalsContact C-N 3.35Å; S571-N573 VanDerWaalsContact C-N 3.28Å; S571-N573 PolarHBondContact O-N 2.83Å; S571-V574 PolarHBondContact O-N 3.38Å; S571-Q575 WeakPolarHBondContact O-CB 3.46Å; S571-Q575 PolarHBondContact O-N 2.96Å
572	T	96.5	Very high	92.2	Very high	24 Å²	24	14 Å²	14	15%	0.147	9%	0.087	C	C	.	.	H	α-helix	trans	-60.4	-37.5	172	-57.8	0	0	0	0	111.8	F302 D568 L569 A570 R576	F302-T572 HydrophobicContact CD2-CG2 4.15Å; F302-T572 HydrophobicContact CE2-CG2 3.97Å; D568-T572 PolarHBondContact O-N 3.46Å; D568-T572 PolarHBondContact O-OG1 2.85Å; L569-T572 WeakPolarHBondContact O-CB 3.37Å; L569-T572 PolarHBondContact O-N 2.88Å; A570-T572 VanDerWaalsContact C-N 3.31Å; A570-T572 PolarHBondContact O-N 2.99Å; T572-R576 WeakPolarHBondContact O-CB 3.35Å; T572-R576 PolarHBondContact O-N 2.76Å
573	N	97.5	Very high	92.9	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-66.6	-45.2	177.6	-61.7	-32.7	0	0	0	112.1	R479 H482 L569 A570 S571 R576 G577 Y629	R479-N573 VanDerWaalsContact CD-OD1 3.26Å; R479-N573 WeakPolarHBondContact CD-OD1 3.35Å; R479-N573 PolarHBondContact NH1-OD1 3.22Å; H482-N573 PolarHBondContact ND1-ND2 3.32Å; L569-N573 PolarHBondContact O-N 3.4Å; L569-N573 PolarHBondContact O-ND2 2.75Å; L569-N573 VanDerWaalsContact O-ND2 3.1Å; L569-N573 PolarHBondContact O-OD1 3.28Å; A570-N573 WeakPolarHBondContact O-CB 3.31Å; A570-N573 PolarHBondContact O-N 3.17Å; A570-N573 VanDerWaalsContact O-N 3.11Å; S571-N573 VanDerWaalsContact C-N 3.28Å; S571-N573 PolarHBondContact O-N 2.83Å; N573-R576 PolarHBondContact O-N 3.32Å; N573-G577 PolarHBondContact O-N 3.36Å; N573-Y629 HydrophobicContact CB-CD1 3.65Å; N573-Y629 HydrophobicContact CB-CD2 4.31Å; N573-Y629 HydrophobicContact CB-CE1 3.57Å; N573-Y629 HydrophobicContact CB-CE2 4.26Å; N573-Y629 HydrophobicContact CB-CG 4.02Å; N573-Y629 PolarHBondContact ND2-OH 3.47Å
574	V	98.3	Very high	93.6	Very high	1 Å²	1	13.3 Å²	13.3	1%	0.006	8%	0.084	C	C	.	.	H	α-helix	trans	-60	-49.9	175.8	177.7	0	0	0	0	110.2	A224 T228 A570 S571 R576 G577 R578 D627 Y629 V630	A224-V574 HydrophobicContact CB-CB 3.82Å; A224-V574 HydrophobicContact CB-CG1 3.8Å; T228-V574 HydrophobicContact CG2-CG2 3.98Å; A570-V574 PolarHBondContact O-N 3.48Å; A570-V574 VanDerWaalsContact O-N 3.16Å; S571-V574 PolarHBondContact O-N 3.38Å; V574-R576 VanDerWaalsContact C-N 3.3Å; V574-R576 PolarHBondContact O-N 2.68Å; V574-G577 PolarHBondContact O-N 2.84Å; V574-R578 PolarHBondContact O-N 2.94Å; V574-D627 HydrophobicContact CG1-CB 4.18Å; V574-D627 VanDerWaalsContact CG1-OD2 3.24Å; V574-D627 WeakPolarHBondContact CG1-OD2 3.21Å; V574-Y629 HydrophobicContact CG2-CD1 3.89Å; V574-V630 HydrophobicContact CG1-CG2 4.44Å; V574-V630 HydrophobicContact CG2-CG2 3.61Å
575	Q	97.4	Very high	94.4	Very high	6 Å²	6	11.1 Å²	11.1	3%	0.028	7%	0.074	C	C	.	.	H	α-helix	trans	-62.3	-36.7	179	-162.7	75	-10	0	0	112.3	A224 F280 I282 F302 S571 R578 D579	A224-Q575 HydrophobicContact CB-CB 4.15Å; F280-Q575 HydrophobicContact CD1-CG 3.9Å; F280-Q575 VanDerWaalsContact CE1-CD 3.46Å; F280-Q575 HydrophobicContact CE1-CG 4.1Å; F280-Q575 PolarHBondContact O-NE2 2.83Å; I282-Q575 HydrophobicContact CD1-CB 3.86Å; I282-Q575 HydrophobicContact CD1-CG 4.17Å; I282-Q575 HydrophobicContact CG1-CB 3.81Å; I282-Q575 HydrophobicContact CG1-CG 3.62Å; F302-Q575 HydrophobicContact CD1-CG 3.95Å; F302-Q575 HydrophobicContact CD2-CB 3.9Å; F302-Q575 HydrophobicContact CD2-CG 3.72Å; F302-Q575 HydrophobicContact CE1-CG 4.03Å; F302-Q575 HydrophobicContact CE2-CB 3.72Å; F302-Q575 HydrophobicContact CE2-CG 3.79Å; F302-Q575 HydrophobicContact CG-CB 4.48Å; F302-Q575 HydrophobicContact CG-CG 3.8Å; F302-Q575 HydrophobicContact CZ-CB 4.18Å; F302-Q575 HydrophobicContact CZ-CG 3.95Å; S571-Q575 WeakPolarHBondContact O-CB 3.46Å; S571-Q575 PolarHBondContact O-N 2.96Å; Q575-R578 PolarHBondContact O-N 3.46Å; Q575-D579 WeakPolarHBondContact O-CB 3.38Å; Q575-D579 PolarHBondContact O-N 2.86Å
576	R	97.9	Very high	95.6	Very high	21 Å²	21	9.7 Å²	9.7	8%	0.079	6%	0.059	C	C	.	.	H	α-helix	trans	-67.1	-37	176.7	-168.4	70	61.7	-163.5	3.1	112.5	F302 T303 S305 T475 T572 N573 V574 R578 D579 H580	F302-R576 HydrophobicContact CE2-CB 4.29Å; F302-R576 HydrophobicContact CZ-CB 4.22Å; F302-R576 VanDerWaalsContact CZ-NH1 3.26Å; T303-R576 PolarHBondContact O-NH1 3.12Å; T303-R576 PolarHBondContact O-NH2 2.81Å; T303-R576 VanDerWaalsContact O-NH2 3.16Å; S305-R576 VanDerWaalsContact N-NH1 3.16Å; S305-R576 WeakPolarHBondContact OG-CD 3.48Å; S305-R576 PolarHBondContact OG-NH1 3.48Å; T475-R576 HydrophobicContact CG2-CB 4.37Å; T475-R576 HydrophobicContact CG2-CG 3.89Å; T572-R576 WeakPolarHBondContact O-CB 3.35Å; T572-R576 PolarHBondContact O-N 2.76Å; N573-R576 PolarHBondContact O-N 3.32Å; V574-R576 VanDerWaalsContact C-N 3.3Å; V574-R576 PolarHBondContact O-N 2.68Å; R576-R578 VanDerWaalsContact C-N 3.31Å; R576-R578 PolarHBondContact O-N 3.49Å; R576-D579 IonicContact CZ-OD2 3.49Å; R576-D579 IonicContact NH1-OD2 3.24Å; R576-D579 PolarHBondContact NH1-OD2 2.94Å; R576-D579 WeakPolarHBondContact O-CB 3.43Å; R576-D579 PolarHBondContact O-N 3.16Å; R576-H580 WeakPolarHBondContact CD-NE2 3.49Å; R576-H580 WeakPolarHBondContact O-CB 3.33Å; R576-H580 PolarHBondContact O-CD2 3.5Å; R576-H580 VanDerWaalsContact O-CD2 3.3Å; R576-H580 PolarHBondContact O-N 2.83Å
577	G	98.4	Very high	96.7	Very high	10 Å²	10	10.6 Å²	10.6	10%	0.103	6%	0.058	C	C	.	.	H	α-helix	trans	-59.1	-42.5	172.4	0	0	0	0	0	112.3	N573 V574 H580 G581 L582	N573-G577 PolarHBondContact O-N 3.36Å; V574-G577 PolarHBondContact O-N 2.84Å; G577-H580 PolarHBondContact O-N 3.44Å; G577-G581 PolarHBondContact O-N 3.21Å; G577-L582 WeakPolarHBondContact O-CG 3.46Å; G577-L582 PolarHBondContact O-N 3.43Å; G577-L582 VanDerWaalsContact O-N 3.08Å
578	R	97.9	Very high	97.5	Very high	8 Å²	8	8.7 Å²	8.7	3%	0.03	5%	0.046	C	C	.	.	H	α-helix	trans	-67.7	-43.1	175.1	-57.5	177.4	-171.6	176.6	2	111.8	P213 V214 P222 F280 V574 Q575 R576 H580 G581 D627	P213-R578 HydrophobicContact CB-CB 4.33Å; P213-R578 WeakPolarHBondContact CB-O 3.16Å; V214-R578 HydrophobicContact CG2-CB 3.96Å; V214-R578 HydrophobicContact CG2-CG 3.82Å; P222-R578 PolarHBondContact O-NH1 3.4Å; P222-R578 PolarHBondContact O-NH2 3.41Å; F280-R578 HydrophobicContact CE1-CB 4.23Å; V574-R578 PolarHBondContact O-N 2.94Å; Q575-R578 PolarHBondContact O-N 3.46Å; R576-R578 VanDerWaalsContact C-N 3.31Å; R576-R578 PolarHBondContact O-N 3.49Å; R578-H580 VanDerWaalsContact C-N 3.26Å; R578-H580 PolarHBondContact O-N 3.31Å; R578-G581 PolarHBondContact O-N 3.06Å; R578-G581 VanDerWaalsContact O-N 3.13Å; R578-D627 WeakPolarHBondContact CG-OD1 3.28Å; R578-D627 IonicContact CZ-OD1 2.81Å; R578-D627 IonicContact CZ-OD2 2.81Å; R578-D627 IonicContact NE-OD1 3.82Å; R578-D627 PolarHBondContact NE-OD1 2.94Å; R578-D627 IonicContact NE-OD2 3.47Å; R578-D627 PolarHBondContact NE-OD2 3.31Å; R578-D627 IonicContact NH2-OD1 3.51Å; R578-D627 IonicContact NH2-OD2 3.17Å; R578-D627 PolarHBondContact NH2-OD2 2.97Å
579	D	97.8	Very high	97.7	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-57.4	-36.6	175.7	173.6	35.3	0	0	0	113.2	Y206 F302 R304 S305 Q575 R576 G581	Y206-D579 WeakPolarHBondContact CE1-O 3.38Å; F302-D579 HydrophobicContact CE1-CB 3.99Å; F302-D579 HydrophobicContact CZ-CB 4Å; R304-D579 WeakPolarHBondContact CA-OD2 3.25Å; R304-D579 WeakPolarHBondContact CB-OD1 3.4Å; R304-D579 WeakPolarHBondContact CG-OD1 3.42Å; R304-D579 IonicContact CZ-OD1 2.97Å; R304-D579 IonicContact NE-OD1 3.32Å; R304-D579 PolarHBondContact NE-OD1 3.41Å; R304-D579 PolarHBondContact NH2-O 3.27Å; R304-D579 VanDerWaalsContact NH2-O 3.07Å; R304-D579 IonicContact NH2-OD1 2.89Å; R304-D579 PolarHBondContact NH2-OD1 3.38Å; S305-D579 PolarHBondContact N-OD2 3.17Å; S305-D579 PolarHBondContact OG-OD2 3.32Å; Q575-D579 WeakPolarHBondContact O-CB 3.38Å; Q575-D579 PolarHBondContact O-N 2.86Å; R576-D579 IonicContact CZ-OD2 3.49Å; R576-D579 IonicContact NH1-OD2 3.24Å; R576-D579 PolarHBondContact NH1-OD2 2.94Å; R576-D579 WeakPolarHBondContact O-CB 3.43Å; R576-D579 PolarHBondContact O-N 3.16Å; D579-G581 VanDerWaalsContact C-N 3.32Å
580	H	98.3	Very high	97.9	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	6%	0.064	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	1.4	-179.6	-75.5	-145.6	0	0	0	114.1	R200 Y206 S305 N471 T475 R576 G577 R578 L582	R200-H580 PolarHBondContact NH1-O 2.83Å; R200-H580 PolarHBondContact NH2-O 3.09Å; R200-H580 VanDerWaalsContact NH2-O 3.13Å; Y206-H580 PolarHBondContact OH-O 3.47Å; S305-H580 WeakPolarHBondContact CB-NE2 3.46Å; S305-H580 PolarHBondContact OG-NE2 3.22Å; N471-H580 PolarHBondContact OD1-ND1 2.97Å; T475-H580 HydrophobicContact CG2-CB 4.1Å; T475-H580 PolarHBondContact OG1-CE1 3.48Å; T475-H580 PolarHBondContact OG1-ND1 3.48Å; R576-H580 WeakPolarHBondContact CD-NE2 3.49Å; R576-H580 WeakPolarHBondContact O-CB 3.33Å; R576-H580 PolarHBondContact O-CD2 3.5Å; R576-H580 VanDerWaalsContact O-CD2 3.3Å; R576-H580 PolarHBondContact O-N 2.83Å; G577-H580 PolarHBondContact O-N 3.44Å; R578-H580 VanDerWaalsContact C-N 3.26Å; R578-H580 PolarHBondContact O-N 3.31Å; H580-L582 VanDerWaalsContact C-N 3.34Å; H580-L582 HydrophobicContact CB-CD2 4.16Å; H580-L582 HydrophobicContact CB-CG 4.29Å; H580-L582 PolarHBondContact O-N 3.24Å
581	G	98.1	Very high	98	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.7	40.8	-179	0	0	0	0	0	112.6	P204 V205 G577 R578 D579	P204-G581 CarbonylContact C-O 3.5Å; P204-G581 VanDerWaalsContact CA-O 3.31Å; P204-G581 WeakPolarHBondContact CA-O 3.29Å; V205-G581 PolarHBondContact N-O 2.87Å; V205-G581 VanDerWaalsContact O-CA 3.22Å; V205-G581 WeakPolarHBondContact O-CA 3.42Å; G577-G581 PolarHBondContact O-N 3.21Å; R578-G581 PolarHBondContact O-N 3.06Å; R578-G581 VanDerWaalsContact O-N 3.13Å; D579-G581 VanDerWaalsContact C-N 3.32Å
582	L	98.5	Very high	98	Very high	8 Å²	8	18.1 Å²	18.1	4%	0.042	9%	0.088	C	C	.	.	P	Polyproline II helix	trans	-70.5	137.4	174.9	-55.3	-172.7	0	0	0	110	N471 E472 T475 A476 G577 H580 L628	N471-L582 HydrophobicContact CB-CD2 4.47Å; E472-L582 HydrophobicContact CG-CD2 4.15Å; T475-L582 HydrophobicContact CG2-CD1 3.83Å; T475-L582 HydrophobicContact CG2-CG 4.41Å; A476-L582 HydrophobicContact CB-CD1 3.98Å; G577-L582 WeakPolarHBondContact O-CG 3.46Å; G577-L582 PolarHBondContact O-N 3.43Å; G577-L582 VanDerWaalsContact O-N 3.08Å; H580-L582 VanDerWaalsContact C-N 3.34Å; H580-L582 HydrophobicContact CB-CD2 4.16Å; H580-L582 HydrophobicContact CB-CG 4.29Å; H580-L582 PolarHBondContact O-N 3.24Å; L582-L628 HydrophobicContact CD1-CD2 4.28Å
583	A	98	Very high	98.1	Very high	6 Å²	6	20.3 Å²	20.3	5%	0.05	12%	0.115	C	C	.	.	P	Polyproline II helix	trans	-61.9	164.6	169.6	0	0	0	0	0	111.5	L202 V205 H587 F588	L202-A583 HydrophobicContact CD1-CB 4.01Å; V205-A583 HydrophobicContact CG2-CB 3.92Å; A583-H587 HydrophobicContact CB-CB 3.95Å; A583-F588 HydrophobicContact CB-CD2 4.46Å; A583-F588 HydrophobicContact CB-CE2 3.73Å; A583-F588 HydrophobicContact CB-CZ 4.14Å; A583-F588 WeakPolarHBondContact O-CE2 3.42Å
584	S	97.9	Very high	98.1	Very high	3 Å²	3	22.1 Å²	22.1	2%	0.021	13%	0.125	C	C	.	.	B	Isolated β-bridge	trans	-69.1	160.9	-178.1	73	0	0	0	0	112.8	N586 H587 F588 D624 I626	S584-N586 PolarHBondContact O-N 3.47Å; S584-H587 WeakPolarHBondContact O-CB 3.42Å; S584-H587 PolarHBondContact O-N 3.34Å; S584-H587 VanDerWaalsContact O-N 3.08Å; S584-H587 PolarHBondContact OG-ND1 3.19Å; S584-F588 WeakPolarHBondContact O-CD2 3.42Å; S584-F588 PolarHBondContact O-N 2.83Å; S584-D624 WeakPolarHBondContact CB-O 3.33Å; S584-D624 PolarHBondContact OG-O 3.35Å; S584-D624 VanDerWaalsContact OG-O 3.13Å; S584-I626 WeakPolarHBondContact CA-O 3.49Å; S584-I626 WeakPolarHBondContact CB-O 3.28Å
585	Y	98.6	Very high	98	Very high	1 Å²	1	28.8 Å²	28.8	0%	0.004	15%	0.154	C	C	.	.	H	α-helix	trans	-49.8	-42.2	173.7	168.4	-118.4	0	0	0	112.5	H587 F588 R589 L603 I626 L628 E635 T646	Y585-H587 VanDerWaalsContact C-N 3.32Å; Y585-H587 PolarHBondContact O-N 3.15Å; Y585-F588 PolarHBondContact O-N 3.46Å; Y585-F588 VanDerWaalsContact O-N 3.11Å; Y585-R589 HydrophobicContact CD1-CG 4.42Å; Y585-R589 HydrophobicContact CD2-CG 4.18Å; Y585-R589 VanDerWaalsContact CE1-CD 3.43Å; Y585-R589 HydrophobicContact CE1-CG 3.98Å; Y585-R589 HydrophobicContact CE2-CG 3.67Å; Y585-R589 VanDerWaalsContact CZ-CD 3.42Å; Y585-R589 WeakPolarHBondContact O-CG 3.12Å; Y585-R589 PolarHBondContact O-N 3.48Å; Y585-R589 WeakPolarHBondContact OH-CD 3.35Å; Y585-R589 PolarHBondContact OH-NH1 3.31Å; Y585-L603 HydrophobicContact CE1-CD2 4.01Å; Y585-I626 WeakPolarHBondContact CB-O 3.41Å; Y585-I626 HydrophobicContact CD1-CB 4.34Å; Y585-I626 HydrophobicContact CD1-CD1 4.25Å; Y585-I626 HydrophobicContact CD1-CG2 3.95Å; Y585-I626 HydrophobicContact CG-CG2 4.14Å; Y585-I626 PolarHBondContact N-O 3.17Å; Y585-L628 HydrophobicContact CD2-CD1 4.49Å; Y585-E635 HydrophobicContact CE2-CG 4.26Å; Y585-E635 WeakPolarHBondContact CE2-OE1 3.5Å; Y585-E635 VanDerWaalsContact CZ-OE1 3.3Å; Y585-E635 WeakPolarHBondContact OH-CG 3.19Å; Y585-E635 PolarHBondContact OH-OE1 3.19Å; Y585-T646 HydrophobicContact CD2-CG2 4.4Å; Y585-T646 HydrophobicContact CE2-CG2 4.23Å
586	N	98.2	Very high	98	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.005	16%	0.163	C	C	.	.	H	α-helix	trans	-64.7	-33	-179	-156.7	19	0	0	0	113.2	S584 Q590 R596 A597 D624	S584-N586 PolarHBondContact O-N 3.47Å; N586-Q590 PolarHBondContact O-N 2.64Å; N586-R596 WeakPolarHBondContact ND2-CG 3.44Å; N586-A597 PolarHBondContact ND2-O 2.55Å; N586-A597 PolarHBondContact OD1-N 3.34Å; N586-D624 VanDerWaalsContact CB-OD1 3.28Å; N586-D624 WeakPolarHBondContact CB-OD1 3.46Å; N586-D624 PolarHBondContact ND2-OD1 3.35Å
587	H	98.4	Very high	98.1	Very high	70 Å²	70	30.4 Å²	30.4	32%	0.324	16%	0.16	S	C	.	.	H	α-helix	trans	-66.7	-40.3	172.9	-71	83.9	0	0	0	111.7	L202 A583 S584 Y585 Q590 Y591 R596	L202-H587 HydrophobicContact CD1-CB 3.82Å; A583-H587 HydrophobicContact CB-CB 3.95Å; S584-H587 WeakPolarHBondContact O-CB 3.42Å; S584-H587 PolarHBondContact O-N 3.34Å; S584-H587 VanDerWaalsContact O-N 3.08Å; S584-H587 PolarHBondContact OG-ND1 3.19Å; Y585-H587 VanDerWaalsContact C-N 3.32Å; Y585-H587 PolarHBondContact O-N 3.15Å; H587-Q590 PolarHBondContact O-N 2.86Å; H587-Y591 PolarHBondContact O-N 2.73Å; H587-R596 PolarHBondContact CE1-NH2 3.27Å
588	F	98.6	Very high	98	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-73.6	-32.9	177.8	-73.6	-67.8	0	0	0	113.4	I201 L202 E472 A583 S584 Y585 Q590 Y591 C592 L628 T646 L650	I201-F588 HydrophobicContact CB-CE1 4.3Å; I201-F588 HydrophobicContact CG2-CE1 4.27Å; L202-F588 HydrophobicContact CB-CE1 4.28Å; L202-F588 HydrophobicContact CB-CZ 4.19Å; L202-F588 HydrophobicContact CD1-CD1 3.98Å; L202-F588 HydrophobicContact CD1-CE1 3.6Å; L202-F588 HydrophobicContact CD1-CE2 4.31Å; L202-F588 HydrophobicContact CD1-CG 4.45Å; L202-F588 HydrophobicContact CD1-CZ 3.77Å; L202-F588 HydrophobicContact CG-CD1 4.42Å; L202-F588 HydrophobicContact CG-CE1 3.72Å; L202-F588 HydrophobicContact CG-CZ 4.06Å; E472-F588 HydrophobicContact CB-CE1 4.34Å; E472-F588 HydrophobicContact CB-CZ 4.26Å; E472-F588 HydrophobicContact CG-CE1 3.49Å; E472-F588 VanDerWaalsContact CG-CE1 3.49Å; E472-F588 HydrophobicContact CG-CE2 4.03Å; E472-F588 HydrophobicContact CG-CZ 3.17Å; A583-F588 HydrophobicContact CB-CD2 4.46Å; A583-F588 HydrophobicContact CB-CE2 3.73Å; A583-F588 HydrophobicContact CB-CZ 4.14Å; A583-F588 WeakPolarHBondContact O-CE2 3.42Å; S584-F588 WeakPolarHBondContact O-CD2 3.42Å; S584-F588 PolarHBondContact O-N 2.83Å; Y585-F588 PolarHBondContact O-N 3.46Å; Y585-F588 VanDerWaalsContact O-N 3.11Å; F588-Q590 VanDerWaalsContact C-N 3.32Å; F588-Q590 PolarHBondContact O-N 3.17Å; F588-Y591 PolarHBondContact O-N 3.38Å; F588-C592 VanDerWaalsContact O-CB 3.31Å; F588-C592 WeakPolarHBondContact O-CB 3.46Å; F588-C592 PolarHBondContact O-N 2.96Å; F588-C592 PolarHBondContact O-SG 3.33Å; F588-C592 VanDerWaalsContact O-SG 3.33Å; F588-L628 HydrophobicContact CB-CD1 3.83Å; F588-L628 HydrophobicContact CD2-CB 4.29Å; F588-L628 HydrophobicContact CD2-CD1 3.68Å; F588-L628 HydrophobicContact CD2-CD2 3.61Å; F588-L628 HydrophobicContact CD2-CG 4.04Å; F588-L628 HydrophobicContact CE2-CD2 3.71Å; F588-L628 HydrophobicContact CG-CD1 3.92Å; F588-L628 HydrophobicContact CG-CD2 4.16Å; F588-L628 HydrophobicContact CZ-CD2 4.38Å; F588-T646 HydrophobicContact CB-CG2 4.02Å; F588-L650 HydrophobicContact CD1-CD1 4.36Å; F588-L650 HydrophobicContact CD1-CD2 3.93Å; F588-L650 HydrophobicContact CG-CD1 4.46Å
589	R	98.2	Very high	98	Very high	2 Å²	2	40.4 Å²	40.4	1%	0.008	21%	0.207	C	C	.	.	H	α-helix	trans	-53.7	-51.9	167.3	-76.1	-178.2	65.5	110.6	-2.7	110.6	Y585 C592 G593 L594 K595 L603 E606	Y585-R589 HydrophobicContact CD1-CG 4.42Å; Y585-R589 HydrophobicContact CD2-CG 4.18Å; Y585-R589 VanDerWaalsContact CE1-CD 3.43Å; Y585-R589 HydrophobicContact CE1-CG 3.98Å; Y585-R589 HydrophobicContact CE2-CG 3.67Å; Y585-R589 VanDerWaalsContact CZ-CD 3.42Å; Y585-R589 WeakPolarHBondContact O-CG 3.12Å; Y585-R589 PolarHBondContact O-N 3.48Å; Y585-R589 WeakPolarHBondContact OH-CD 3.35Å; Y585-R589 PolarHBondContact OH-NH1 3.31Å; R589-C592 CarbonylContact O-C 3.59Å; R589-C592 PolarHBondContact O-N 3.13Å; R589-C592 VanDerWaalsContact O-N 3.14Å; R589-G593 PolarHBondContact O-N 2.87Å; R589-L594 HydrophobicContact CB-CB 4.05Å; R589-L594 HydrophobicContact CB-CD1 4.3Å; R589-L594 HydrophobicContact CG-CD1 4.14Å; R589-L594 WeakPolarHBondContact O-CB 3.2Å; R589-L594 PolarHBondContact O-N 3.06Å; R589-K595 PolarHBondContact NE-O 3.49Å; R589-K595 PolarHBondContact NH2-O 3.43Å; R589-L603 VanDerWaalsContact NH1-CD2 3.33Å; R589-E606 IonicContact CZ-OE2 3.57Å; R589-E606 VanDerWaalsContact NH1-CD 3.29Å; R589-E606 IonicContact NH1-OE2 3.87Å; R589-E606 PolarHBondContact NH1-OE2 3.17Å; R589-E606 IonicContact NH2-OE1 2.87Å; R589-E606 PolarHBondContact NH2-OE1 2.88Å; R589-E606 IonicContact NH2-OE2 3.83Å; R589-E606 PolarHBondContact NH2-OE2 3.01Å
590	Q	98.1	Very high	98	Very high	105 Å²	105	40.9 Å²	40.9	49%	0.491	21%	0.209	S	C	.	.	H	α-helix	trans	-61.5	-45.2	179.7	-174.4	176.8	13	0	0	112.2	N586 H587 F588 C592 G593	N586-Q590 PolarHBondContact O-N 2.64Å; H587-Q590 PolarHBondContact O-N 2.86Å; F588-Q590 VanDerWaalsContact C-N 3.32Å; F588-Q590 PolarHBondContact O-N 3.17Å; Q590-C592 PolarHBondContact O-N 3.33Å; Q590-G593 PolarHBondContact O-N 2.99Å; Q590-G593 VanDerWaalsContact O-N 3.07Å
591	Y	98.1	Very high	97.9	Very high	94 Å²	94	45.6 Å²	45.6	37%	0.369	23%	0.234	S	C	.	.	H	α-helix	trans	-56.3	-41.3	173.8	171.5	-97.2	0	0	0	111.9	I201 L202 H587 F588 G593 L650	I201-Y591 HydrophobicContact CD1-CE1 4.13Å; I201-Y591 HydrophobicContact CG2-CD1 3.74Å; I201-Y591 HydrophobicContact CG2-CD2 3.56Å; I201-Y591 HydrophobicContact CG2-CE1 3.51Å; I201-Y591 HydrophobicContact CG2-CE2 3.32Å; I201-Y591 HydrophobicContact CG2-CG 3.77Å; L202-Y591 HydrophobicContact CD2-CD2 4.4Å; H587-Y591 PolarHBondContact O-N 2.73Å; F588-Y591 PolarHBondContact O-N 3.38Å; Y591-G593 PolarHBondContact O-N 3.22Å; Y591-L650 HydrophobicContact CD1-CD2 4.32Å; Y591-L650 HydrophobicContact CE1-CD2 4.39Å
592	C	98.3	Very high	97.9	Very high	21 Å²	21	47.4 Å²	47.4	14%	0.142	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	10.9	179.2	-69.6	0	0	0	0	114.3	F588 R589 Q590 L594 C649	F588-C592 VanDerWaalsContact O-CB 3.31Å; F588-C592 WeakPolarHBondContact O-CB 3.46Å; F588-C592 PolarHBondContact O-N 2.96Å; F588-C592 PolarHBondContact O-SG 3.33Å; F588-C592 VanDerWaalsContact O-SG 3.33Å; R589-C592 CarbonylContact O-C 3.59Å; R589-C592 PolarHBondContact O-N 3.13Å; R589-C592 VanDerWaalsContact O-N 3.14Å; Q590-C592 PolarHBondContact O-N 3.33Å; C592-L594 VanDerWaalsContact C-N 3.3Å; C592-L594 PolarHBondContact O-N 2.93Å; C592-C649 VanDerWaalsContact CA-SG 3.53Å; C592-C649 HydrophobicContact CB-CB 3.62Å; C592-C649 WeakPolarHBondContact CB-SG 3.41Å; C592-C649 WeakPolarHBondContact SG-CB 3.37Å; C592-C649 CovalentContact SG-SG 2.05Å; C592-C649 PolarHBondContact SG-SG 2.86Å
593	G	97.5	Very high	97.9	Very high	70 Å²	70	47 Å²	47	72%	0.722	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.4	10.9	176.8	0	0	0	0	0	114.8	R589 Q590 Y591	R589-G593 PolarHBondContact O-N 2.87Å; Q590-G593 PolarHBondContact O-N 2.99Å; Q590-G593 VanDerWaalsContact O-N 3.07Å; Y591-G593 PolarHBondContact O-N 3.22Å
594	L	97.5	Very high	97.9	Very high	37 Å²	37	49 Å²	49	19%	0.194	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-83.1	153.6	172.9	-55.1	176	0	0	0	110.2	R589 C592 R596 E606 P645 T646	R589-L594 HydrophobicContact CB-CB 4.05Å; R589-L594 HydrophobicContact CB-CD1 4.3Å; R589-L594 HydrophobicContact CG-CD1 4.14Å; R589-L594 WeakPolarHBondContact O-CB 3.2Å; R589-L594 PolarHBondContact O-N 3.06Å; C592-L594 VanDerWaalsContact C-N 3.3Å; C592-L594 PolarHBondContact O-N 2.93Å; L594-R596 PolarHBondContact O-N 3.29Å; L594-E606 HydrophobicContact CD1-CG 4.25Å; L594-P645 HydrophobicContact CD1-CB 4.25Å; L594-P645 HydrophobicContact CD1-CG 4.12Å; L594-P645 HydrophobicContact CD2-CB 4.44Å; L594-T646 WeakPolarHBondContact CD1-OG1 3.49Å
595	K	97	Very high	97.7	Very high	142 Å²	142	55 Å²	55	62%	0.617	29%	0.287	S	S	*	.	P	Polyproline II helix	trans	-60.9	130.2	174.6	-170.2	-169.2	171.7	-156.2	0	109.2	R589 A597 D602	R589-K595 PolarHBondContact NE-O 3.49Å; R589-K595 PolarHBondContact NH2-O 3.43Å; K595-A597 PolarHBondContact O-N 3.01Å; K595-D602 IonicContact NZ-OD1 3.21Å; K595-D602 PolarHBondContact NZ-OD1 2.04Å; K595-D602 IonicContact NZ-OD2 3.37Å
596	R	97.5	Very high	97.7	Very high	59 Å²	59	56 Å²	56	22%	0.223	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-64.7	125.4	169.7	-171.1	-177.4	-175.8	93	-1	108.4	N586 H587 L594 D624	N586-R596 WeakPolarHBondContact ND2-CG 3.44Å; H587-R596 PolarHBondContact CE1-NH2 3.27Å; L594-R596 PolarHBondContact O-N 3.29Å; R596-D624 IonicContact CZ-OD1 3.24Å; R596-D624 IonicContact CZ-OD2 2.82Å; R596-D624 IonicContact NE-OD1 2.85Å; R596-D624 IonicContact NH2-OD1 3.87Å; R596-D624 PolarHBondContact NH2-OD1 3.43Å; R596-D624 IonicContact NH2-OD2 3.54Å; R596-D624 PolarHBondContact NH2-OD2 2.95Å
597	A	98.2	Very high	97.6	Very high	1 Å²	1	55.9 Å²	55.9	1%	0.008	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-76.2	138	178.1	0	0	0	0	0	110.3	N586 K595 D602 L603 V623	N586-A597 PolarHBondContact ND2-O 2.55Å; N586-A597 PolarHBondContact OD1-N 3.34Å; K595-A597 PolarHBondContact O-N 3.01Å; A597-D602 HydrophobicContact CB-CB 3.71Å; A597-L603 HydrophobicContact CB-CD2 3.54Å; A597-L603 HydrophobicContact CB-CG 4.22Å; A597-V623 HydrophobicContact CB-CB 4.48Å; A597-V623 HydrophobicContact CB-CG1 4.43Å; A597-V623 WeakPolarHBondContact O-CG2 3.49Å
598	Q	97.7	Very high	97.4	Very high	150 Å²	150	57.6 Å²	57.6	70%	0.701	30%	0.302	S	S	*	.	S	Bend	trans	-98.3	-27.7	170.5	-60.3	-64.4	-9.6	0	0	111.5	D602	Q598-D602 PolarHBondContact N-OD2 2.85Å
599	D	97.3	Very high	97.1	Very high	79 Å²	79	60.2 Å²	60.2	42%	0.422	32%	0.316	S	S	.	.	S	Bend	trans	-139.3	177	173.6	62.4	44.6	0	0	0	110.8	D601 D602 V623	D599-D601 VanDerWaalsContact C-N 3.26Å; D599-D601 PolarHBondContact O-N 2.66Å; D599-D601 WeakPolarHBondContact OD1-CA 3.48Å; D599-D601 WeakPolarHBondContact OD1-CB 3.47Å; D599-D601 PolarHBondContact OD1-N 3.45Å; D599-D602 PolarHBondContact O-N 3.09Å; D599-D602 PolarHBondContact OD1-N 2.72Å; D599-V623 WeakPolarHBondContact O-CG1 3.23Å
600	F	97.7	Very high	97	Very high	9 Å²	9	63.1 Å²	63.1	4%	0.039	34%	0.335	C	S	.	.	S	Bend	trans	-72.2	-20.2	-176.6	-67.3	-93.8	0	0	0	113	L603 R613 L616 Q617 F620 D622 V623 I626	F600-L603 HydrophobicContact CD1-CD1 4.34Å; F600-L603 WeakPolarHBondContact O-CB 3.08Å; F600-L603 PolarHBondContact O-N 3.05Å; F600-R613 WeakPolarHBondContact O-CD 3.45Å; F600-L616 HydrophobicContact CD1-CB 3.68Å; F600-L616 HydrophobicContact CE1-CB 3.78Å; F600-L616 WeakPolarHBondContact CE1-O 3.38Å; F600-Q617 HydrophobicContact CB-CB 4.16Å; F600-Q617 HydrophobicContact CD1-CB 4.02Å; F600-Q617 HydrophobicContact CD2-CB 3.54Å; F600-Q617 HydrophobicContact CD2-CG 3.52Å; F600-Q617 HydrophobicContact CE1-CB 4.33Å; F600-Q617 HydrophobicContact CE2-CB 3.89Å; F600-Q617 HydrophobicContact CE2-CG 3.79Å; F600-Q617 HydrophobicContact CG-CB 3.62Å; F600-Q617 HydrophobicContact CG-CG 4.12Å; F600-Q617 HydrophobicContact CZ-CB 4.28Å; F600-F620 HydrophobicContact CZ-CB 4.43Å; F600-D622 VanDerWaalsContact CZ-C 3.48Å; F600-V623 HydrophobicContact CD1-CG1 3.99Å; F600-V623 HydrophobicContact CD2-CG1 3.88Å; F600-V623 HydrophobicContact CE1-CG1 4.05Å; F600-V623 HydrophobicContact CE2-CG1 3.94Å; F600-V623 HydrophobicContact CG-CG1 3.91Å; F600-V623 HydrophobicContact CZ-CG1 4.02Å; F600-I626 HydrophobicContact CD1-CD1 4.32Å; F600-I626 HydrophobicContact CE1-CD1 3.87Å; F600-I626 HydrophobicContact CE1-CG1 4.24Å
601	D	97.4	Very high	96.8	Very high	99 Å²	99	63 Å²	63	53%	0.529	34%	0.338	S	S	.	.	G	3₁₀ helix	trans	-78	-27.9	178.1	-79.1	-32	0	0	0	112	D599 L603 S604 R613	D599-D601 VanDerWaalsContact C-N 3.26Å; D599-D601 PolarHBondContact O-N 2.66Å; D599-D601 WeakPolarHBondContact OD1-CA 3.48Å; D599-D601 WeakPolarHBondContact OD1-CB 3.47Å; D599-D601 PolarHBondContact OD1-N 3.45Å; D601-L603 PolarHBondContact O-N 3.06Å; D601-S604 WeakPolarHBondContact O-CB 3.3Å; D601-S604 PolarHBondContact O-N 2.89Å; D601-S604 PolarHBondContact O-OG 3.36Å; D601-R613 IonicContact OD1-NE 3.55Å
602	D	98.1	Very high	96.6	Very high	38 Å²	38	59.1 Å²	59.1	20%	0.203	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-56.8	-16.7	168.7	-90.1	-37.2	0	0	0	113.2	K595 A597 Q598 D599 S604	K595-D602 IonicContact NZ-OD1 3.21Å; K595-D602 PolarHBondContact NZ-OD1 2.04Å; K595-D602 IonicContact NZ-OD2 3.37Å; A597-D602 HydrophobicContact CB-CB 3.71Å; Q598-D602 PolarHBondContact N-OD2 2.85Å; D599-D602 PolarHBondContact O-N 3.09Å; D599-D602 PolarHBondContact OD1-N 2.72Å; D602-S604 VanDerWaalsContact C-N 3.28Å
603	L	97.7	Very high	96.5	Very high	1 Å²	1	59.4 Å²	59.4	1%	0.005	32%	0.322	C	S	.	.	G	3₁₀ helix	trans	-82	-0.3	175.7	-53	178.5	0	0	0	113.6	Y585 R589 A597 F600 D601 N605 E606 I607 L616 I626	Y585-L603 HydrophobicContact CE1-CD2 4.01Å; R589-L603 VanDerWaalsContact NH1-CD2 3.33Å; A597-L603 HydrophobicContact CB-CD2 3.54Å; A597-L603 HydrophobicContact CB-CG 4.22Å; F600-L603 HydrophobicContact CD1-CD1 4.34Å; F600-L603 WeakPolarHBondContact O-CB 3.08Å; F600-L603 PolarHBondContact O-N 3.05Å; D601-L603 PolarHBondContact O-N 3.06Å; L603-N605 PolarHBondContact O-N 3.47Å; L603-N605 VanDerWaalsContact O-N 3.07Å; L603-E606 PolarHBondContact O-N 2.9Å; L603-E606 VanDerWaalsContact O-N 3.14Å; L603-I607 HydrophobicContact CD1-CD1 4.39Å; L603-I607 PolarHBondContact O-N 3.29Å; L603-L616 HydrophobicContact CD1-CD1 4.4Å; L603-I626 HydrophobicContact CD1-CD1 3.93Å
604	S	97.3	Very high	96.5	Very high	48 Å²	48	59.1 Å²	59.1	34%	0.336	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-16	-171.8	67.6	0	0	0	0	115.4	D601 D602 L608	D601-S604 WeakPolarHBondContact O-CB 3.3Å; D601-S604 PolarHBondContact O-N 2.89Å; D601-S604 PolarHBondContact O-OG 3.36Å; D602-S604 VanDerWaalsContact C-N 3.28Å; S604-L608 WeakPolarHBondContact O-CD2 3.09Å
605	N	95.2	Very high	96.4	Very high	128 Å²	128	60.2 Å²	60.2	68%	0.684	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-27.9	178.2	-67	-32.3	0	0	0	112.7	L603	L603-N605 PolarHBondContact O-N 3.47Å; L603-N605 VanDerWaalsContact O-N 3.07Å
606	E	97	Very high	96.4	Very high	21 Å²	21	53.4 Å²	53.4	10%	0.098	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.5	-27.2	-176.6	-60.1	75.8	-166.3	0	0	112.5	R589 L594 L603 E635 D636 P645	R589-E606 IonicContact CZ-OE2 3.57Å; R589-E606 VanDerWaalsContact NH1-CD 3.29Å; R589-E606 IonicContact NH1-OE2 3.87Å; R589-E606 PolarHBondContact NH1-OE2 3.17Å; R589-E606 IonicContact NH2-OE1 2.87Å; R589-E606 PolarHBondContact NH2-OE1 2.88Å; R589-E606 IonicContact NH2-OE2 3.83Å; R589-E606 PolarHBondContact NH2-OE2 3.01Å; L594-E606 HydrophobicContact CD1-CG 4.25Å; L603-E606 PolarHBondContact O-N 2.9Å; L603-E606 VanDerWaalsContact O-N 3.14Å; E606-E635 HydrophobicContact CB-CG 4.05Å; E606-E635 CarbonylContact O-C 3.57Å; E606-E635 VanDerWaalsContact O-CA 3.24Å; E606-E635 WeakPolarHBondContact O-CA 3.12Å; E606-D636 PolarHBondContact O-N 3.15Å; E606-P645 HydrophobicContact CB-CG 4.28Å; E606-P645 HydrophobicContact CG-CG 3.61Å
607	I	96.6	Very high	96.4	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	29%	0.292	C	S	.	.			trans	-120.3	96	174.7	-56.3	176.7	0	0	0	106.4	L603 L612 R613 L616 L634	L603-I607 HydrophobicContact CD1-CD1 4.39Å; L603-I607 PolarHBondContact O-N 3.29Å; I607-L612 HydrophobicContact CG2-CB 3.88Å; I607-L612 HydrophobicContact CG2-CD1 4.36Å; I607-R613 HydrophobicContact CB-CG 4.23Å; I607-R613 HydrophobicContact CG2-CG 3.98Å; I607-R613 WeakPolarHBondContact O-CD 3.46Å; I607-R613 PolarHBondContact O-NH1 2.64Å; I607-L616 HydrophobicContact CD1-CD1 3.64Å; I607-L634 HydrophobicContact CD1-CB 4.09Å; I607-L634 HydrophobicContact CG1-CB 4.49Å
608	L	94.6	Very high	96.2	Very high	105 Å²	105	62.2 Å²	62.2	55%	0.55	32%	0.324	S	S	.	.			trans	-73.6	-31.9	-168.4	-61.1	176.9	0	0	0	113	S604 P610 R613 D636	S604-L608 WeakPolarHBondContact O-CD2 3.09Å; L608-P610 VanDerWaalsContact O-CD 3.31Å; L608-P610 WeakPolarHBondContact O-CD 3.28Å; L608-R613 PolarHBondContact O-NH1 2.76Å; L608-D636 VanDerWaalsContact CB-OD2 3.25Å; L608-D636 WeakPolarHBondContact CB-OD2 3.4Å; L608-D636 HydrophobicContact CD1-CB 4.14Å; L608-D636 HydrophobicContact CG-CB 4.16Å; L608-D636 WeakPolarHBondContact CG-OD2 3.12Å; L608-D636 PolarHBondContact N-OD2 2.95Å
609	D	92.5	Very high	96	Very high	55 Å²	55	56 Å²	56	29%	0.294	30%	0.3	S	S	.	.			trans	-73.6	114	-178.2	-177.7	-1.1	0	0	0	111.8	N611 L612 R613	D609-N611 PolarHBondContact O-N 3.28Å; D609-N611 WeakPolarHBondContact OD1-CB 3.34Å; D609-N611 PolarHBondContact OD1-N 3.48Å; D609-N611 PolarHBondContact OD1-ND2 2.65Å; D609-L612 HydrophobicContact CB-CB 4.17Å; D609-L612 HydrophobicContact CB-CD1 4.08Å; D609-L612 HydrophobicContact CB-CG 4.15Å; D609-L612 WeakPolarHBondContact O-CB 3.34Å; D609-L612 PolarHBondContact O-N 3.48Å; D609-L612 VanDerWaalsContact O-N 3.14Å; D609-R613 PolarHBondContact O-N 3.4Å
610	P	95.9	Very high	96	Very high	63 Å²	63	52.3 Å²	52.3	41%	0.409	28%	0.28	S	S	.	.	H	α-helix	trans	-61.5	-28.5	177.6	25.4	-34.1	0	0	0	113.2	L608 L612 R613 N614	L608-P610 VanDerWaalsContact O-CD 3.31Å; L608-P610 WeakPolarHBondContact O-CD 3.28Å; P610-L612 VanDerWaalsContact C-N 3.32Å; P610-L612 PolarHBondContact O-N 3.04Å; P610-R613 PolarHBondContact O-N 3.08Å; P610-N614 WeakPolarHBondContact O-CB 3.3Å; P610-N614 PolarHBondContact O-N 2.89Å; P610-N614 PolarHBondContact O-ND2 2.86Å
611	N	93.5	Very high	95.9	Very high	102 Å²	102	61.5 Å²	61.5	55%	0.545	32%	0.315	S	S	.	.	H	α-helix	trans	-67.7	-36.6	177.7	-58	-66.8	0	0	0	111.3	D609 N614 N615	D609-N611 PolarHBondContact O-N 3.28Å; D609-N611 WeakPolarHBondContact OD1-CB 3.34Å; D609-N611 PolarHBondContact OD1-N 3.48Å; D609-N611 PolarHBondContact OD1-ND2 2.65Å; N611-N614 PolarHBondContact O-N 3.02Å; N611-N615 WeakPolarHBondContact O-CB 3.46Å; N611-N615 PolarHBondContact O-N 3.25Å; N611-N615 PolarHBondContact O-ND2 3.46Å; N611-N615 PolarHBondContact O-OD1 2.98Å
612	L	93.5	Very high	95.9	Very high	14 Å²	14	60.6 Å²	60.6	7%	0.073	31%	0.309	C	S	.	.	H	α-helix	trans	-65.4	-42.9	174.3	-80.8	179.4	0	0	0	111.6	I607 D609 P610 N615 L616 L634	I607-L612 HydrophobicContact CG2-CB 3.88Å; I607-L612 HydrophobicContact CG2-CD1 4.36Å; D609-L612 HydrophobicContact CB-CB 4.17Å; D609-L612 HydrophobicContact CB-CD1 4.08Å; D609-L612 HydrophobicContact CB-CG 4.15Å; D609-L612 WeakPolarHBondContact O-CB 3.34Å; D609-L612 PolarHBondContact O-N 3.48Å; D609-L612 VanDerWaalsContact O-N 3.14Å; P610-L612 VanDerWaalsContact C-N 3.32Å; P610-L612 PolarHBondContact O-N 3.04Å; L612-N615 PolarHBondContact O-N 2.71Å; L612-L616 WeakPolarHBondContact O-CG 3.38Å; L612-L616 PolarHBondContact O-N 3.15Å; L612-L634 HydrophobicContact CD1-CD2 4.14Å; L612-L634 HydrophobicContact CD2-CD2 3.9Å
613	R	97.2	Very high	95.9	Very high	26 Å²	26	59 Å²	59	10%	0.098	30%	0.302	C	S	.	.	H	α-helix	trans	-62.9	-42.7	175.5	-61.1	-169	-57	-92.1	2.9	111.6	F600 D601 I607 L608 D609 P610 N615 L616 Q617	F600-R613 WeakPolarHBondContact O-CD 3.45Å; D601-R613 IonicContact OD1-NE 3.55Å; I607-R613 HydrophobicContact CB-CG 4.23Å; I607-R613 HydrophobicContact CG2-CG 3.98Å; I607-R613 WeakPolarHBondContact O-CD 3.46Å; I607-R613 PolarHBondContact O-NH1 2.64Å; L608-R613 PolarHBondContact O-NH1 2.76Å; D609-R613 PolarHBondContact O-N 3.4Å; P610-R613 PolarHBondContact O-N 3.08Å; R613-N615 PolarHBondContact O-N 3Å; R613-L616 WeakPolarHBondContact O-CB 3.15Å; R613-L616 PolarHBondContact O-N 3.3Å; R613-Q617 PolarHBondContact O-N 2.86Å
614	N	96.7	Very high	95.8	Very high	65 Å²	65	61.4 Å²	61.4	35%	0.348	31%	0.314	S	S	.	.	H	α-helix	trans	-62.9	-39.5	174.6	-71	-19.7	0	0	0	112.7	P610 N611 Q617 Q618	P610-N614 WeakPolarHBondContact O-CB 3.3Å; P610-N614 PolarHBondContact O-N 2.89Å; P610-N614 PolarHBondContact O-ND2 2.86Å; N611-N614 PolarHBondContact O-N 3.02Å; N614-Q617 PolarHBondContact O-N 2.88Å; N614-Q618 WeakPolarHBondContact O-CG 3.31Å; N614-Q618 PolarHBondContact O-N 3.46Å; N614-Q618 PolarHBondContact O-NE2 2.81Å
615	N	95	Very high	95.8	Very high	59 Å²	59	60.5 Å²	60.5	32%	0.316	31%	0.305	S	S	.	.	H	α-helix	trans	-69.4	-37.2	176.6	-70	-12.2	0	0	0	111.7	L231 N611 L612 R613 Q617 Q618 G619	L231-N615 HydrophobicContact CD2-CB 3.49Å; L231-N615 VanDerWaalsContact CD2-CB 3.49Å; N611-N615 WeakPolarHBondContact O-CB 3.46Å; N611-N615 PolarHBondContact O-N 3.25Å; N611-N615 PolarHBondContact O-ND2 3.46Å; N611-N615 PolarHBondContact O-OD1 2.98Å; L612-N615 PolarHBondContact O-N 2.71Å; R613-N615 PolarHBondContact O-N 3Å; N615-Q617 VanDerWaalsContact C-N 3.33Å; N615-Q618 PolarHBondContact O-N 3.42Å; N615-G619 PolarHBondContact O-N 3.09Å
616	L	97.1	Very high	96	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-60	-45.4	171.2	-80.2	168.3	0	0	0	110.7	L231 F600 L603 I607 L612 R613 G619 F620 I626 V630 L634	L231-L616 HydrophobicContact CD1-CD2 3.74Å; L231-L616 HydrophobicContact CD1-CG 4.43Å; L231-L616 HydrophobicContact CD2-CD2 4.32Å; L231-L616 HydrophobicContact CD2-CG 4.12Å; F600-L616 HydrophobicContact CD1-CB 3.68Å; F600-L616 HydrophobicContact CE1-CB 3.78Å; F600-L616 WeakPolarHBondContact CE1-O 3.38Å; L603-L616 HydrophobicContact CD1-CD1 4.4Å; I607-L616 HydrophobicContact CD1-CD1 3.64Å; L612-L616 WeakPolarHBondContact O-CG 3.38Å; L612-L616 PolarHBondContact O-N 3.15Å; R613-L616 WeakPolarHBondContact O-CB 3.15Å; R613-L616 PolarHBondContact O-N 3.3Å; L616-G619 PolarHBondContact O-N 3.27Å; L616-F620 HydrophobicContact CD2-CD2 3.91Å; L616-F620 HydrophobicContact CD2-CE2 4.09Å; L616-F620 WeakPolarHBondContact O-CB 3.37Å; L616-F620 PolarHBondContact O-N 3Å; L616-I626 HydrophobicContact CD2-CD1 4.37Å; L616-I626 HydrophobicContact CD2-CG1 4.38Å; L616-I626 HydrophobicContact CD2-CG2 4.26Å; L616-V630 HydrophobicContact CD2-CG1 4.16Å; L616-L634 HydrophobicContact CD1-CD1 3.92Å; L616-L634 HydrophobicContact CD2-CD1 3.82Å; L616-L634 HydrophobicContact CG-CD1 3.96Å
617	Q	97.3	Very high	96.1	Very high	100 Å²	100	53.8 Å²	53.8	47%	0.467	27%	0.27	S	S	.	.	H	α-helix	trans	-59.8	-47.9	177.1	-173.9	177.2	23	0	0	112.1	F600 R613 N614 N615 G619 R621	F600-Q617 HydrophobicContact CB-CB 4.16Å; F600-Q617 HydrophobicContact CD1-CB 4.02Å; F600-Q617 HydrophobicContact CD2-CB 3.54Å; F600-Q617 HydrophobicContact CD2-CG 3.52Å; F600-Q617 HydrophobicContact CE1-CB 4.33Å; F600-Q617 HydrophobicContact CE2-CB 3.89Å; F600-Q617 HydrophobicContact CE2-CG 3.79Å; F600-Q617 HydrophobicContact CG-CB 3.62Å; F600-Q617 HydrophobicContact CG-CG 4.12Å; F600-Q617 HydrophobicContact CZ-CB 4.28Å; R613-Q617 PolarHBondContact O-N 2.86Å; N614-Q617 PolarHBondContact O-N 2.88Å; N615-Q617 VanDerWaalsContact C-N 3.33Å; Q617-G619 PolarHBondContact O-N 2.89Å; Q617-R621 VanDerWaalsContact O-CA 3.23Å; Q617-R621 WeakPolarHBondContact O-CA 3.31Å; Q617-R621 PolarHBondContact O-N 2.89Å
618	Q	95.2	Very high	96.2	Very high	145 Å²	145	54 Å²	54	68%	0.678	27%	0.272	S	S	*	.	H	α-helix	trans	-63.5	-40.7	178.9	-73.7	174.5	61.2	0	0	112.5	N614 N615	N614-Q618 WeakPolarHBondContact O-CG 3.31Å; N614-Q618 PolarHBondContact O-N 3.46Å; N614-Q618 PolarHBondContact O-NE2 2.81Å; N615-Q618 PolarHBondContact O-N 3.42Å
619	G	93.8	Very high	96.4	Very high	20 Å²	20	49.2 Å²	49.2	21%	0.206	25%	0.246	C	C	.	.	H	α-helix	trans	-75.3	-55.7	-178.1	0	0	0	0	0	113.4	P222 N615 L616 Q617	P222-G619 VanDerWaalsContact CD-O 3.27Å; P222-G619 WeakPolarHBondContact CD-O 3.38Å; N615-G619 PolarHBondContact O-N 3.09Å; L616-G619 PolarHBondContact O-N 3.27Å; Q617-G619 PolarHBondContact O-N 2.89Å
620	F	97.1	Very high	96.6	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-91.2	-19.6	-170.9	-75.3	-82.4	0	0	0	114.7	R221 P222 A227 L231 F600 L616 D622 N625 I626 D627 V630	R221-F620 HydrophobicContact CG-CD1 4.39Å; P222-F620 HydrophobicContact CG-CD1 4.08Å; P222-F620 HydrophobicContact CG-CD2 4.29Å; P222-F620 HydrophobicContact CG-CE1 3.95Å; P222-F620 HydrophobicContact CG-CE2 4.14Å; P222-F620 HydrophobicContact CG-CG 4.27Å; P222-F620 HydrophobicContact CG-CZ 3.98Å; A227-F620 HydrophobicContact CB-CE2 4.44Å; A227-F620 HydrophobicContact CB-CZ 4.22Å; L231-F620 HydrophobicContact CD1-CD2 4.38Å; L231-F620 HydrophobicContact CD1-CE2 3.83Å; F600-F620 HydrophobicContact CZ-CB 4.43Å; L616-F620 HydrophobicContact CD2-CD2 3.91Å; L616-F620 HydrophobicContact CD2-CE2 4.09Å; L616-F620 WeakPolarHBondContact O-CB 3.37Å; L616-F620 PolarHBondContact O-N 3Å; F620-D622 PolarHBondContact O-N 2.69Å; F620-N625 HydrophobicContact CB-CB 4.31Å; F620-N625 VanDerWaalsContact CD1-C 3.44Å; F620-N625 HydrophobicContact CD1-CB 4.11Å; F620-N625 WeakPolarHBondContact CD1-O 3.45Å; F620-N625 VanDerWaalsContact CE1-O 3.22Å; F620-N625 WeakPolarHBondContact CE1-O 3.23Å; F620-I626 HydrophobicContact CB-CG1 4.19Å; F620-I626 HydrophobicContact CD2-CG1 4.29Å; F620-I626 HydrophobicContact CG-CG1 4.14Å; F620-D627 VanDerWaalsContact CE1-OD2 3.27Å; F620-D627 WeakPolarHBondContact CE1-OD2 3.47Å; F620-D627 HydrophobicContact CZ-CB 4.48Å; F620-D627 WeakPolarHBondContact CZ-OD2 3.33Å; F620-V630 HydrophobicContact CE2-CG1 4.09Å; F620-V630 HydrophobicContact CZ-CB 4.46Å; F620-V630 HydrophobicContact CZ-CG1 4.46Å; F620-V630 HydrophobicContact CZ-CG2 4.29Å
621	R	95.9	Very high	96.8	Very high	203 Å²	203	43.6 Å²	43.6	77%	0.766	21%	0.213	S	C	*	.	S	Bend	trans	64.2	-35.3	179.6	-52.5	177.3	-176.2	176.3	1.7	115.7	Q617	Q617-R621 VanDerWaalsContact O-CA 3.23Å; Q617-R621 WeakPolarHBondContact O-CA 3.31Å; Q617-R621 PolarHBondContact O-N 2.89Å
622	D	96.8	Very high	97	Very high	79 Å²	79	38.8 Å²	38.8	42%	0.422	19%	0.187	S	C	.	.	S	Bend	trans	-127.7	138.9	177.5	-165.9	-50.9	0	0	0	109.5	F600 F620 D624 N625	F600-D622 VanDerWaalsContact CZ-C 3.48Å; F620-D622 PolarHBondContact O-N 2.69Å; D622-D624 PolarHBondContact O-N 3.4Å; D622-D624 WeakPolarHBondContact OD1-CB 3.44Å; D622-D624 PolarHBondContact OD1-N 2.98Å; D622-N625 HydrophobicContact CB-CB 4.45Å; D622-N625 WeakPolarHBondContact O-CB 3.36Å; D622-N625 PolarHBondContact O-N 3.41Å; D622-N625 VanDerWaalsContact O-N 3.11Å
623	V	97.4	Very high	97.2	Very high	6 Å²	6	38.3 Å²	38.3	4%	0.036	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-63.8	-27.7	178.5	-69.7	0	0	0	0	112.8	A597 D599 F600 N625 I626	A597-V623 HydrophobicContact CB-CB 4.48Å; A597-V623 HydrophobicContact CB-CG1 4.43Å; A597-V623 WeakPolarHBondContact O-CG2 3.49Å; D599-V623 WeakPolarHBondContact O-CG1 3.23Å; F600-V623 HydrophobicContact CD1-CG1 3.99Å; F600-V623 HydrophobicContact CD2-CG1 3.88Å; F600-V623 HydrophobicContact CE1-CG1 4.05Å; F600-V623 HydrophobicContact CE2-CG1 3.94Å; F600-V623 HydrophobicContact CG-CG1 3.91Å; F600-V623 HydrophobicContact CZ-CG1 4.02Å; V623-N625 PolarHBondContact O-N 2.92Å; V623-I626 WeakPolarHBondContact O-CG1 3.3Å; V623-I626 PolarHBondContact O-N 3.27Å
624	D	97.1	Very high	97.2	Very high	51 Å²	51	37.2 Å²	37.2	27%	0.273	18%	0.181	S	C	.	.	G	3₁₀ helix	trans	-77.2	-5.8	176.9	-77.2	-23	0	0	0	113.3	S584 N586 R596 D622	S584-D624 WeakPolarHBondContact CB-O 3.33Å; S584-D624 PolarHBondContact OG-O 3.35Å; S584-D624 VanDerWaalsContact OG-O 3.13Å; N586-D624 VanDerWaalsContact CB-OD1 3.28Å; N586-D624 WeakPolarHBondContact CB-OD1 3.46Å; N586-D624 PolarHBondContact ND2-OD1 3.35Å; R596-D624 IonicContact CZ-OD1 3.24Å; R596-D624 IonicContact CZ-OD2 2.82Å; R596-D624 IonicContact NE-OD1 2.85Å; R596-D624 IonicContact NH2-OD1 3.87Å; R596-D624 PolarHBondContact NH2-OD1 3.43Å; R596-D624 IonicContact NH2-OD2 3.54Å; R596-D624 PolarHBondContact NH2-OD2 2.95Å; D622-D624 PolarHBondContact O-N 3.4Å; D622-D624 WeakPolarHBondContact OD1-CB 3.44Å; D622-D624 PolarHBondContact OD1-N 2.98Å
625	N	97.4	Very high	97.3	Very high	28 Å²	28	34.1 Å²	34.1	15%	0.15	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-93.1	-11.7	174.6	-77.8	-20.4	0	0	0	114	D220 R221 F620 D622 V623 D627	D220-N625 PolarHBondContact O-ND2 2.95Å; R221-N625 HydrophobicContact CG-CB 4.02Å; R221-N625 VanDerWaalsContact CZ-O 3.23Å; R221-N625 PolarHBondContact NE-O 2.78Å; R221-N625 PolarHBondContact NH1-O 2.84Å; F620-N625 HydrophobicContact CB-CB 4.31Å; F620-N625 VanDerWaalsContact CD1-C 3.44Å; F620-N625 HydrophobicContact CD1-CB 4.11Å; F620-N625 WeakPolarHBondContact CD1-O 3.45Å; F620-N625 VanDerWaalsContact CE1-O 3.22Å; F620-N625 WeakPolarHBondContact CE1-O 3.23Å; D622-N625 HydrophobicContact CB-CB 4.45Å; D622-N625 WeakPolarHBondContact O-CB 3.36Å; D622-N625 PolarHBondContact O-N 3.41Å; D622-N625 VanDerWaalsContact O-N 3.11Å; V623-N625 PolarHBondContact O-N 2.92Å; N625-D627 PolarHBondContact O-N 2.85Å
626	I	98.3	Very high	97.3	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.005	16%	0.164	C	C	.	.			trans	-61.7	119.1	-178.3	-58.2	171.5	0	0	0	109.9	S584 Y585 F600 L603 L616 F620 V623	S584-I626 WeakPolarHBondContact CA-O 3.49Å; S584-I626 WeakPolarHBondContact CB-O 3.28Å; Y585-I626 WeakPolarHBondContact CB-O 3.41Å; Y585-I626 HydrophobicContact CD1-CB 4.34Å; Y585-I626 HydrophobicContact CD1-CD1 4.25Å; Y585-I626 HydrophobicContact CD1-CG2 3.95Å; Y585-I626 HydrophobicContact CG-CG2 4.14Å; Y585-I626 PolarHBondContact N-O 3.17Å; F600-I626 HydrophobicContact CD1-CD1 4.32Å; F600-I626 HydrophobicContact CE1-CD1 3.87Å; F600-I626 HydrophobicContact CE1-CG1 4.24Å; L603-I626 HydrophobicContact CD1-CD1 3.93Å; L616-I626 HydrophobicContact CD2-CD1 4.37Å; L616-I626 HydrophobicContact CD2-CG1 4.38Å; L616-I626 HydrophobicContact CD2-CG2 4.26Å; F620-I626 HydrophobicContact CB-CG1 4.19Å; F620-I626 HydrophobicContact CD2-CG1 4.29Å; F620-I626 HydrophobicContact CG-CG1 4.14Å; V623-I626 WeakPolarHBondContact O-CG1 3.3Å; V623-I626 PolarHBondContact O-N 3.27Å
627	D	98.6	Very high	97.3	Very high	8 Å²	8	36.2 Å²	36.2	4%	0.043	18%	0.178	C	C	.	.	B	Isolated β-bridge	trans	-64	136.1	175.3	-61.7	-65.2	0	0	0	110.3	R221 V574 R578 F620 N625 Y629 V630 G631	R221-D627 IonicContact CZ-OD1 2.68Å; R221-D627 IonicContact NH1-OD1 3.27Å; R221-D627 PolarHBondContact NH1-OD1 2.81Å; V574-D627 HydrophobicContact CG1-CB 4.18Å; V574-D627 VanDerWaalsContact CG1-OD2 3.24Å; V574-D627 WeakPolarHBondContact CG1-OD2 3.21Å; R578-D627 WeakPolarHBondContact CG-OD1 3.28Å; R578-D627 IonicContact CZ-OD1 2.81Å; R578-D627 IonicContact CZ-OD2 2.81Å; R578-D627 IonicContact NE-OD1 3.82Å; R578-D627 PolarHBondContact NE-OD1 2.94Å; R578-D627 IonicContact NE-OD2 3.47Å; R578-D627 PolarHBondContact NE-OD2 3.31Å; R578-D627 IonicContact NH2-OD1 3.51Å; R578-D627 IonicContact NH2-OD2 3.17Å; R578-D627 PolarHBondContact NH2-OD2 2.97Å; F620-D627 VanDerWaalsContact CE1-OD2 3.27Å; F620-D627 WeakPolarHBondContact CE1-OD2 3.47Å; F620-D627 HydrophobicContact CZ-CB 4.48Å; F620-D627 WeakPolarHBondContact CZ-OD2 3.33Å; N625-D627 PolarHBondContact O-N 2.85Å; D627-Y629 VanDerWaalsContact C-N 3.25Å; D627-Y629 PolarHBondContact O-N 3.03Å; D627-Y629 VanDerWaalsContact O-N 3.15Å; D627-V630 HydrophobicContact CB-CG2 4.15Å; D627-V630 PolarHBondContact O-N 3.04Å; D627-G631 PolarHBondContact O-N 3.49Å
628	L	98.7	Very high	97.2	Very high	5 Å²	5	32.4 Å²	32.4	3%	0.026	16%	0.161	C	C	.	.	H	α-helix	trans	-51.7	-42.3	-176.8	176	59.9	0	0	0	113.1	E472 A476 L582 Y585 F588 V630 G632 T646 F647 L650	E472-L628 HydrophobicContact CB-CD2 4.23Å; A476-L628 HydrophobicContact CB-CB 4.21Å; A476-L628 HydrophobicContact CB-CD2 3.6Å; A476-L628 HydrophobicContact CB-CG 3.7Å; L582-L628 HydrophobicContact CD1-CD2 4.28Å; Y585-L628 HydrophobicContact CD2-CD1 4.49Å; F588-L628 HydrophobicContact CB-CD1 3.83Å; F588-L628 HydrophobicContact CD2-CB 4.29Å; F588-L628 HydrophobicContact CD2-CD1 3.68Å; F588-L628 HydrophobicContact CD2-CD2 3.61Å; F588-L628 HydrophobicContact CD2-CG 4.04Å; F588-L628 HydrophobicContact CE2-CD2 3.71Å; F588-L628 HydrophobicContact CG-CD1 3.92Å; F588-L628 HydrophobicContact CG-CD2 4.16Å; F588-L628 HydrophobicContact CZ-CD2 4.38Å; L628-V630 VanDerWaalsContact C-N 3.34Å; L628-V630 PolarHBondContact O-N 2.78Å; L628-G632 PolarHBondContact O-N 2.68Å; L628-T646 HydrophobicContact CD1-CG2 4.32Å; L628-F647 HydrophobicContact CD1-CE1 4.24Å; L628-F647 HydrophobicContact CG-CE1 4.34Å; L628-L650 HydrophobicContact CD1-CD1 4.13Å; L628-L650 HydrophobicContact CD2-CD1 4.05Å
629	Y	98.5	Very high	97.2	Very high	4 Å²	4	31.2 Å²	31.2	2%	0.016	16%	0.158	C	C	.	.	H	α-helix	trans	-62.4	-40.5	178.9	-179.3	-111.9	0	0	0	112.4	L232 R479 N573 V574 D627 L633	L232-Y629 HydrophobicContact CD1-CD1 4.14Å; L232-Y629 HydrophobicContact CD1-CE1 3.81Å; R479-Y629 HydrophobicContact CB-CD2 4.12Å; R479-Y629 HydrophobicContact CB-CE2 3.66Å; N573-Y629 HydrophobicContact CB-CD1 3.65Å; N573-Y629 HydrophobicContact CB-CD2 4.31Å; N573-Y629 HydrophobicContact CB-CE1 3.57Å; N573-Y629 HydrophobicContact CB-CE2 4.26Å; N573-Y629 HydrophobicContact CB-CG 4.02Å; N573-Y629 PolarHBondContact ND2-OH 3.47Å; V574-Y629 HydrophobicContact CG2-CD1 3.89Å; D627-Y629 VanDerWaalsContact C-N 3.25Å; D627-Y629 PolarHBondContact O-N 3.03Å; D627-Y629 VanDerWaalsContact O-N 3.15Å; Y629-L633 HydrophobicContact CE1-CD2 4.38Å; Y629-L633 HydrophobicContact CE2-CD2 4.45Å; Y629-L633 WeakPolarHBondContact O-CB 3.37Å; Y629-L633 PolarHBondContact O-N 2.95Å
630	V	98.6	Very high	97.2	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-70.5	-53.6	-179.4	179.4	0	0	0	0	109.9	A227 L231 L232 V574 L616 F620 D627 L628 G632 L633 L634	A227-V630 HydrophobicContact CB-CG2 4.4Å; L231-V630 HydrophobicContact CB-CG1 4.43Å; L231-V630 HydrophobicContact CD1-CG1 3.67Å; L232-V630 HydrophobicContact CD1-CG2 4.37Å; L232-V630 HydrophobicContact CD2-CG1 4.37Å; V574-V630 HydrophobicContact CG1-CG2 4.44Å; V574-V630 HydrophobicContact CG2-CG2 3.61Å; L616-V630 HydrophobicContact CD2-CG1 4.16Å; F620-V630 HydrophobicContact CE2-CG1 4.09Å; F620-V630 HydrophobicContact CZ-CB 4.46Å; F620-V630 HydrophobicContact CZ-CG1 4.46Å; F620-V630 HydrophobicContact CZ-CG2 4.29Å; D627-V630 HydrophobicContact CB-CG2 4.15Å; D627-V630 PolarHBondContact O-N 3.04Å; L628-V630 VanDerWaalsContact C-N 3.34Å; L628-V630 PolarHBondContact O-N 2.78Å; V630-G632 PolarHBondContact O-N 3.27Å; V630-L633 PolarHBondContact O-N 2.93Å; V630-L634 HydrophobicContact CG1-CD1 3.82Å; V630-L634 HydrophobicContact CG1-CG 4.5Å; V630-L634 VanDerWaalsContact O-CG 3.29Å; V630-L634 WeakPolarHBondContact O-CG 3.49Å; V630-L634 PolarHBondContact O-N 3.19Å; V630-L634 VanDerWaalsContact O-N 3.11Å
631	G	98.3	Very high	97.1	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-59.9	-49.8	-177.5	0	0	0	0	0	112.3	D627 L633 L634 E635	D627-G631 PolarHBondContact O-N 3.49Å; G631-L633 VanDerWaalsContact C-N 3.34Å; G631-L633 PolarHBondContact O-N 3.38Å; G631-L634 PolarHBondContact O-N 3.47Å; G631-E635 PolarHBondContact O-N 3.43Å
632	G	98.3	Very high	97.2	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.01	14%	0.142	C	C	.	.	H	α-helix	trans	-69.8	-25.8	-178.2	0	0	0	0	0	114.6	L628 V630 F647	L628-G632 PolarHBondContact O-N 2.68Å; V630-G632 PolarHBondContact O-N 3.27Å; G632-F647 WeakPolarHBondContact O-CD2 3.39Å
633	L	97.8	Very high	97.2	Very high	3 Å²	3	22.1 Å²	22.1	2%	0.016	12%	0.122	C	C	.	.	H	α-helix	trans	-77	-32.5	174.2	-163.8	66.4	0	0	0	112	L232 F480 P552 Q553 V555 Y629 V630 G631 E635 F647	L232-L633 HydrophobicContact CD1-CD2 4.14Å; L232-L633 HydrophobicContact CD2-CB 4.46Å; L232-L633 HydrophobicContact CD2-CD2 4.1Å; F480-L633 HydrophobicContact CB-CD1 4.19Å; P552-L633 HydrophobicContact CB-CD1 4.02Å; P552-L633 VanDerWaalsContact O-CD1 3.23Å; P552-L633 WeakPolarHBondContact O-CD1 3.37Å; P552-L633 WeakPolarHBondContact O-CG 3.48Å; Q553-L633 VanDerWaalsContact CA-O 3.27Å; Q553-L633 WeakPolarHBondContact CA-O 3.35Å; Q553-L633 WeakPolarHBondContact CG-O 3.43Å; V555-L633 HydrophobicContact CG2-CD2 3.84Å; Y629-L633 HydrophobicContact CE1-CD2 4.38Å; Y629-L633 HydrophobicContact CE2-CD2 4.45Å; Y629-L633 WeakPolarHBondContact O-CB 3.37Å; Y629-L633 PolarHBondContact O-N 2.95Å; V630-L633 PolarHBondContact O-N 2.93Å; G631-L633 VanDerWaalsContact C-N 3.34Å; G631-L633 PolarHBondContact O-N 3.38Å; L633-E635 VanDerWaalsContact C-N 3.31Å; L633-F647 HydrophobicContact CB-CE2 4.3Å; L633-F647 HydrophobicContact CD1-CE2 4.45Å
634	L	97.6	Very high	97.3	Very high	3 Å²	3	21.8 Å²	21.8	2%	0.016	12%	0.121	C	C	.	.	H	α-helix	trans	-76.9	-15.2	-179.7	-71.3	174.9	0	0	0	113.9	L231 L232 I607 L612 L616 V630 G631 D636	L231-L634 HydrophobicContact CB-CD1 4.13Å; L231-L634 HydrophobicContact CB-CD2 4.49Å; L231-L634 HydrophobicContact CD1-CD1 4.48Å; L231-L634 HydrophobicContact CD2-CD1 4.31Å; L232-L634 HydrophobicContact CD2-CD2 3.78Å; L232-L634 HydrophobicContact CD2-CG 3.91Å; I607-L634 HydrophobicContact CD1-CB 4.09Å; I607-L634 HydrophobicContact CG1-CB 4.49Å; L612-L634 HydrophobicContact CD1-CD2 4.14Å; L612-L634 HydrophobicContact CD2-CD2 3.9Å; L616-L634 HydrophobicContact CD1-CD1 3.92Å; L616-L634 HydrophobicContact CD2-CD1 3.82Å; L616-L634 HydrophobicContact CG-CD1 3.96Å; V630-L634 HydrophobicContact CG1-CD1 3.82Å; V630-L634 HydrophobicContact CG1-CG 4.5Å; V630-L634 VanDerWaalsContact O-CG 3.29Å; V630-L634 WeakPolarHBondContact O-CG 3.49Å; V630-L634 PolarHBondContact O-N 3.19Å; V630-L634 VanDerWaalsContact O-N 3.11Å; G631-L634 PolarHBondContact O-N 3.47Å; L634-D636 PolarHBondContact O-N 2.74Å
635	E	98.1	Very high	97.3	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.114	C	C	.	.	S	Bend	trans	-59.8	135.1	174.6	-67.3	-175.2	160.1	0	0	111.6	Q553 Y585 E606 G631 L633 G644 P645 T646	Q553-E635 WeakPolarHBondContact CG-O 3.41Å; Q553-E635 PolarHBondContact NE2-O 2.8Å; Y585-E635 HydrophobicContact CE2-CG 4.26Å; Y585-E635 WeakPolarHBondContact CE2-OE1 3.5Å; Y585-E635 VanDerWaalsContact CZ-OE1 3.3Å; Y585-E635 WeakPolarHBondContact OH-CG 3.19Å; Y585-E635 PolarHBondContact OH-OE1 3.19Å; E606-E635 HydrophobicContact CB-CG 4.05Å; E606-E635 CarbonylContact O-C 3.57Å; E606-E635 VanDerWaalsContact O-CA 3.24Å; E606-E635 WeakPolarHBondContact O-CA 3.12Å; G631-E635 PolarHBondContact O-N 3.43Å; L633-E635 VanDerWaalsContact C-N 3.31Å; E635-G644 WeakPolarHBondContact OE2-CA 3.42Å; E635-P645 WeakPolarHBondContact OE2-CD 3.23Å; E635-P645 VanDerWaalsContact OE2-N 3.08Å; E635-T646 VanDerWaalsContact OE1-CB 3.24Å; E635-T646 WeakPolarHBondContact OE1-CB 3.39Å; E635-T646 PolarHBondContact OE1-OG1 3.05Å; E635-T646 WeakPolarHBondContact OE2-CB 3.27Å; E635-T646 PolarHBondContact OE2-N 3.36Å
636	D	96.3	Very high	97.4	Very high	60 Å²	60	19 Å²	19	32%	0.321	11%	0.107	S	C	.	.	P	Polyproline II helix	trans	-59.6	137.7	167	-78.5	-80.6	0	0	0	109.9	E606 L608 L634 G644	E606-D636 PolarHBondContact O-N 3.15Å; L608-D636 VanDerWaalsContact CB-OD2 3.25Å; L608-D636 WeakPolarHBondContact CB-OD2 3.4Å; L608-D636 HydrophobicContact CD1-CB 4.14Å; L608-D636 HydrophobicContact CG-CB 4.16Å; L608-D636 WeakPolarHBondContact CG-OD2 3.12Å; L608-D636 PolarHBondContact N-OD2 2.95Å; L634-D636 PolarHBondContact O-N 2.74Å; D636-G644 WeakPolarHBondContact O-CA 3.43Å
637	P	96.2	Very high	97.4	Very high	44 Å²	44	19 Å²	19	29%	0.286	11%	0.107	S	C	.	.	P	Polyproline II helix	trans	-66.8	146	-175.1	28.1	-34.5	0	0	0	111.2	V643	P637-V643 WeakPolarHBondContact CA-O 3.22Å
638	V	95.6	Very high	97.4	Very high	20 Å²	20	18.6 Å²	18.6	12%	0.121	11%	0.105	C	C	.	.	P	Polyproline II helix	trans	-59.9	154.7	168.8	-57.7	0	0	0	0	110.3	L447 R450 D640 G641 V643 P645	L447-V638 VanDerWaalsContact O-CG2 3.27Å; L447-V638 WeakPolarHBondContact O-CG2 3.4Å; R450-V638 HydrophobicContact CG-CB 4.29Å; R450-V638 HydrophobicContact CG-CG1 4.34Å; R450-V638 HydrophobicContact CG-CG2 4.42Å; V638-D640 PolarHBondContact O-N 3.05Å; V638-G641 PolarHBondContact O-N 3.12Å; V638-V643 PolarHBondContact N-O 3Å; V638-P645 HydrophobicContact CG1-CB 4.34Å
639	I	94.1	Very high	97.4	Very high	119 Å²	119	19.1 Å²	19.1	61%	0.61	11%	0.108	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.8	128.1	-177.6	-58.9	172.6	0	0	0	110.3	I449 G641	I449-I639 HydrophobicContact CG2-CB 3.93Å; I449-I639 PolarHBondContact N-O 3.25Å; I639-G641 PolarHBondContact O-N 2.86Å; I639-G641 VanDerWaalsContact O-N 3.07Å
640	D	93.7	Very high	97.4	Very high	94 Å²	94	19 Å²	19	50%	0.503	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.8	8.2	-175.9	-70.3	-43.3	0	0	0	116.3	K242 G448 V638	K242-D640 IonicContact NZ-OD1 3.56Å; K242-D640 PolarHBondContact NZ-OD1 2.91Å; G448-D640 VanDerWaalsContact CA-C 3.45Å; G448-D640 WeakPolarHBondContact CA-O 3.45Å; V638-D640 PolarHBondContact O-N 3.05Å
641	G	96.4	Very high	97.4	Very high	10 Å²	10	19 Å²	19	10%	0.103	11%	0.108	C	C	.	.			trans	-99.1	-177.3	172.3	0	0	0	0	0	112.5	I446 V638 I639	I446-G641 WeakPolarHBondContact O-CA 3.35Å; V638-G641 PolarHBondContact O-N 3.12Å; I639-G641 PolarHBondContact O-N 2.86Å; I639-G641 VanDerWaalsContact O-N 3.07Å
642	L	97.1	Very high	97.4	Very high	5 Å²	5	19.3 Å²	19.3	3%	0.026	11%	0.11	C	C	.	.	S	Bend	trans	-116.2	-13.2	176.8	-66.8	-179.7	0	0	0	113.5	L247 I446 M484 P552 Q553	L247-L642 HydrophobicContact CD2-CD1 3.55Å; I446-L642 HydrophobicContact CD1-CD1 4Å; I446-L642 PolarHBondContact O-N 3.49Å; M484-L642 HydrophobicContact CE-CD1 3.8Å; P552-L642 WeakPolarHBondContact CD-O 3.01Å; P552-L642 WeakPolarHBondContact CG-O 3.34Å; Q553-L642 PolarHBondContact NE2-O 2.75Å; Q553-L642 VanDerWaalsContact NE2-O 3.08Å
643	V	98.3	Very high	97.4	Very high	2 Å²	2	20.1 Å²	20.1	1%	0.012	11%	0.114	C	C	.	.	S	Bend	trans	-119.6	154.9	-178.3	-61.4	0	0	0	0	111.2	I446 L447 F480 P637 V638 F647 A648 I651	I446-V643 HydrophobicContact CG2-CG1 4.07Å; I446-V643 HydrophobicContact CG2-CG2 4.02Å; L447-V643 HydrophobicContact CD2-CG2 4.47Å; F480-V643 HydrophobicContact CB-CG1 4.03Å; F480-V643 HydrophobicContact CD1-CG1 4.01Å; F480-V643 HydrophobicContact CD2-CG1 3.44Å; F480-V643 VanDerWaalsContact CD2-CG1 3.44Å; F480-V643 HydrophobicContact CE1-CG1 4.35Å; F480-V643 HydrophobicContact CE2-CG1 3.82Å; F480-V643 HydrophobicContact CG-CG1 3.55Å; F480-V643 HydrophobicContact CZ-CG1 4.26Å; P637-V643 WeakPolarHBondContact CA-O 3.22Å; V638-V643 PolarHBondContact N-O 3Å; V643-F647 HydrophobicContact CB-CB 3.96Å; V643-F647 HydrophobicContact CG1-CB 4.49Å; V643-F647 HydrophobicContact CG2-CB 4.32Å; V643-A648 HydrophobicContact CG2-CB 4.04Å; V643-I651 HydrophobicContact CG1-CD1 4.29Å; V643-I651 HydrophobicContact CG2-CD1 4.33Å
644	G	98	Very high	97.5	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.113	C	C	.	.			trans	-71.9	171.7	174.4	0	0	0	0	0	113.9	E635 D636 T646 F647 A648	E635-G644 WeakPolarHBondContact OE2-CA 3.42Å; D636-G644 WeakPolarHBondContact O-CA 3.43Å; G644-T646 VanDerWaalsContact C-N 3.31Å; G644-T646 PolarHBondContact O-N 3.11Å; G644-F647 PolarHBondContact O-N 3.46Å; G644-A648 VanDerWaalsContact O-CB 3.32Å; G644-A648 WeakPolarHBondContact O-CB 3.28Å; G644-A648 PolarHBondContact O-N 2.65Å
645	P	98	Very high	97.5	Very high	20 Å²	20	20 Å²	20	13%	0.13	11%	0.113	C	C	.	.	H	α-helix	trans	-60	-32.2	-173.4	23.5	-34.2	0	0	0	114.9	R450 L594 E606 E635 V638 C649	R450-P645 PolarHBondContact NH1-O 2.86Å; R450-P645 VanDerWaalsContact NH1-O 3.17Å; L594-P645 HydrophobicContact CD1-CB 4.25Å; L594-P645 HydrophobicContact CD1-CG 4.12Å; L594-P645 HydrophobicContact CD2-CB 4.44Å; E606-P645 HydrophobicContact CB-CG 4.28Å; E606-P645 HydrophobicContact CG-CG 3.61Å; E635-P645 WeakPolarHBondContact OE2-CD 3.23Å; E635-P645 VanDerWaalsContact OE2-N 3.08Å; V638-P645 HydrophobicContact CG1-CB 4.34Å; P645-C649 WeakPolarHBondContact O-CB 3.33Å; P645-C649 PolarHBondContact O-N 3.43Å; P645-C649 VanDerWaalsContact O-N 3.12Å
646	T	98.6	Very high	97.6	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-72.3	-49.4	179.2	-59.9	0	0	0	0	110.6	Y585 F588 L594 L628 E635 G644 A648 C649 L650	Y585-T646 HydrophobicContact CD2-CG2 4.4Å; Y585-T646 HydrophobicContact CE2-CG2 4.23Å; F588-T646 HydrophobicContact CB-CG2 4.02Å; L594-T646 WeakPolarHBondContact CD1-OG1 3.49Å; L628-T646 HydrophobicContact CD1-CG2 4.32Å; E635-T646 VanDerWaalsContact OE1-CB 3.24Å; E635-T646 WeakPolarHBondContact OE1-CB 3.39Å; E635-T646 PolarHBondContact OE1-OG1 3.05Å; E635-T646 WeakPolarHBondContact OE2-CB 3.27Å; E635-T646 PolarHBondContact OE2-N 3.36Å; G644-T646 VanDerWaalsContact C-N 3.31Å; G644-T646 PolarHBondContact O-N 3.11Å; T646-A648 VanDerWaalsContact C-N 3.34Å; T646-A648 PolarHBondContact O-N 2.7Å; T646-C649 WeakPolarHBondContact O-CB 3.41Å; T646-C649 PolarHBondContact O-N 3.18Å; T646-L650 HydrophobicContact CG2-CD1 4.38Å; T646-L650 WeakPolarHBondContact O-CG 3.27Å; T646-L650 PolarHBondContact O-N 3.23Å
647	F	98.7	Very high	97.7	Very high	1 Å²	1	24.7 Å²	24.7	0%	0.004	13%	0.126	C	C	.	.	H	α-helix	trans	-65.5	-36.5	175.4	-80.2	0.3	0	0	0	112.4	A477 F480 L628 G632 L633 V643 G644 C649 L650 I651	A477-F647 HydrophobicContact CB-CD1 3.86Å; A477-F647 HydrophobicContact CB-CE1 4.21Å; A477-F647 HydrophobicContact CB-CG 4.25Å; F480-F647 HydrophobicContact CB-CD2 4.07Å; F480-F647 HydrophobicContact CB-CE2 4.25Å; L628-F647 HydrophobicContact CD1-CE1 4.24Å; L628-F647 HydrophobicContact CG-CE1 4.34Å; G632-F647 WeakPolarHBondContact O-CD2 3.39Å; L633-F647 HydrophobicContact CB-CE2 4.3Å; L633-F647 HydrophobicContact CD1-CE2 4.45Å; V643-F647 HydrophobicContact CB-CB 3.96Å; V643-F647 HydrophobicContact CG1-CB 4.49Å; V643-F647 HydrophobicContact CG2-CB 4.32Å; G644-F647 PolarHBondContact O-N 3.46Å; F647-C649 VanDerWaalsContact C-N 3.31Å; F647-C649 PolarHBondContact O-N 3.25Å; F647-L650 PolarHBondContact O-N 2.7Å; F647-I651 HydrophobicContact CB-CD1 4.37Å; F647-I651 VanDerWaalsContact O-CB 3.24Å; F647-I651 WeakPolarHBondContact O-CB 3.49Å; F647-I651 WeakPolarHBondContact O-CD1 3.4Å; F647-I651 WeakPolarHBondContact O-CG1 3.26Å; F647-I651 PolarHBondContact O-N 3.03Å
648	A	98.7	Very high	97.8	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-56.8	-46.4	173.7	0	0	0	0	0	111.6	L447 L454 V643 G644 T646 S652	L447-A648 HydrophobicContact CD2-CB 3.89Å; L454-A648 HydrophobicContact CD1-CB 3.98Å; V643-A648 HydrophobicContact CG2-CB 4.04Å; G644-A648 VanDerWaalsContact O-CB 3.32Å; G644-A648 WeakPolarHBondContact O-CB 3.28Å; G644-A648 PolarHBondContact O-N 2.65Å; T646-A648 VanDerWaalsContact C-N 3.34Å; T646-A648 PolarHBondContact O-N 2.7Å; A648-S652 VanDerWaalsContact O-CB 3.23Å; A648-S652 WeakPolarHBondContact O-CB 3.26Å; A648-S652 PolarHBondContact O-N 3.03Å; A648-S652 PolarHBondContact O-OG 3.07Å
649	C	98.7	Very high	98	Very high	15 Å²	15	22.4 Å²	22.4	10%	0.101	11%	0.11	C	C	.	.	H	α-helix	trans	-58.4	-55.9	175.2	159.4	0	0	0	0	111.8	C592 P645 T646 F647 I651 S652 E653	C592-C649 VanDerWaalsContact CA-SG 3.53Å; C592-C649 HydrophobicContact CB-CB 3.62Å; C592-C649 WeakPolarHBondContact CB-SG 3.41Å; C592-C649 WeakPolarHBondContact SG-CB 3.37Å; C592-C649 CovalentContact SG-SG 2.05Å; C592-C649 PolarHBondContact SG-SG 2.86Å; P645-C649 WeakPolarHBondContact O-CB 3.33Å; P645-C649 PolarHBondContact O-N 3.43Å; P645-C649 VanDerWaalsContact O-N 3.12Å; T646-C649 WeakPolarHBondContact O-CB 3.41Å; T646-C649 PolarHBondContact O-N 3.18Å; F647-C649 VanDerWaalsContact C-N 3.31Å; F647-C649 PolarHBondContact O-N 3.25Å; C649-I651 PolarHBondContact O-N 3.19Å; C649-S652 PolarHBondContact O-N 2.96Å; C649-S652 PolarHBondContact O-OG 3.14Å; C649-E653 PolarHBondContact O-N 2.6Å
650	L	98.7	Very high	98.2	Very high	1 Å²	1	17.7 Å²	17.7	1%	0.005	9%	0.086	C	C	.	.	H	α-helix	trans	-64.1	-39.4	-177.1	-61	178.5	0	0	0	113.3	I201 A477 F588 Y591 L628 T646 F647 Q654	I201-L650 HydrophobicContact CD1-CD2 3.51Å; A477-L650 HydrophobicContact CB-CB 3.9Å; A477-L650 HydrophobicContact CB-CD1 4.22Å; F588-L650 HydrophobicContact CD1-CD1 4.36Å; F588-L650 HydrophobicContact CD1-CD2 3.93Å; F588-L650 HydrophobicContact CG-CD1 4.46Å; Y591-L650 HydrophobicContact CD1-CD2 4.32Å; Y591-L650 HydrophobicContact CE1-CD2 4.39Å; L628-L650 HydrophobicContact CD1-CD1 4.13Å; L628-L650 HydrophobicContact CD2-CD1 4.05Å; T646-L650 HydrophobicContact CG2-CD1 4.38Å; T646-L650 WeakPolarHBondContact O-CG 3.27Å; T646-L650 PolarHBondContact O-N 3.23Å; F647-L650 PolarHBondContact O-N 2.7Å; L650-Q654 PolarHBondContact O-N 3.25Å
651	I	98.8	Very high	98.4	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-63.4	-49.9	175.6	-69.7	169.6	0	0	0	109.4	L443 I446 L447 F473 A477 M478 F480 V643 F647 C649 E653 Q654 F655	L443-I651 HydrophobicContact CD2-CG2 4.26Å; I446-I651 HydrophobicContact CG2-CD1 4.38Å; L447-I651 HydrophobicContact CD2-CB 4.42Å; L447-I651 HydrophobicContact CD2-CG2 4.23Å; F473-I651 HydrophobicContact CE2-CG1 4.48Å; A477-I651 HydrophobicContact CB-CG1 4.08Å; M478-I651 HydrophobicContact SD-CD1 4.14Å; M478-I651 HydrophobicContact SD-CG1 3.85Å; M478-I651 HydrophobicContact SD-CG2 4.15Å; F480-I651 HydrophobicContact CD1-CD1 3.73Å; F480-I651 HydrophobicContact CE1-CD1 3.66Å; V643-I651 HydrophobicContact CG1-CD1 4.29Å; V643-I651 HydrophobicContact CG2-CD1 4.33Å; F647-I651 HydrophobicContact CB-CD1 4.37Å; F647-I651 VanDerWaalsContact O-CB 3.24Å; F647-I651 WeakPolarHBondContact O-CB 3.49Å; F647-I651 WeakPolarHBondContact O-CD1 3.4Å; F647-I651 WeakPolarHBondContact O-CG1 3.26Å; F647-I651 PolarHBondContact O-N 3.03Å; C649-I651 PolarHBondContact O-N 3.19Å; I651-E653 VanDerWaalsContact C-N 3.33Å; I651-E653 PolarHBondContact O-N 2.94Å; I651-Q654 PolarHBondContact O-N 2.66Å; I651-F655 HydrophobicContact CG2-CD2 3.67Å; I651-F655 HydrophobicContact CG2-CE2 3.82Å; I651-F655 VanDerWaalsContact O-CD2 3.29Å; I651-F655 WeakPolarHBondContact O-CD2 3.11Å; I651-F655 PolarHBondContact O-N 3.19Å
652	S	98.6	Very high	98.5	Very high	7 Å²	7	12.7 Å²	12.7	5%	0.049	6%	0.057	C	C	.	.	H	α-helix	trans	-63.1	-36.8	-179.5	69.3	0	0	0	0	113.5	A648 C649 Q654 F655 R656	A648-S652 VanDerWaalsContact O-CB 3.23Å; A648-S652 WeakPolarHBondContact O-CB 3.26Å; A648-S652 PolarHBondContact O-N 3.03Å; A648-S652 PolarHBondContact O-OG 3.07Å; C649-S652 PolarHBondContact O-N 2.96Å; C649-S652 PolarHBondContact O-OG 3.14Å; S652-Q654 PolarHBondContact O-N 2.63Å; S652-F655 PolarHBondContact O-N 2.86Å; S652-R656 WeakPolarHBondContact O-CB 3.44Å; S652-R656 PolarHBondContact O-N 2.72Å
653	E	98.5	Very high	98.6	Very high	19 Å²	19	12.9 Å²	12.9	9%	0.089	6%	0.057	C	C	.	.	H	α-helix	trans	-58.8	-48.6	176.2	179.4	59.7	-154.9	0	0	111.2	I201 I470 C649 I651 R656 R657	I201-E653 HydrophobicContact CD1-CG 4.33Å; I470-E653 HydrophobicContact CD1-CG 4.01Å; C649-E653 PolarHBondContact O-N 2.6Å; I651-E653 VanDerWaalsContact C-N 3.33Å; I651-E653 PolarHBondContact O-N 2.94Å; E653-R656 VanDerWaalsContact CD-NH2 3.28Å; E653-R656 IonicContact OE1-NH2 3.54Å; E653-R656 PolarHBondContact OE1-NH2 3.05Å; E653-R656 IonicContact OE2-CZ 2.74Å; E653-R656 IonicContact OE2-NH1 3.19Å; E653-R656 IonicContact OE2-NH2 2.8Å; E653-R656 PolarHBondContact OE2-NH2 3.07Å; E653-R657 WeakPolarHBondContact O-CG 3.46Å; E653-R657 PolarHBondContact O-N 3.01Å; E653-R657 VanDerWaalsContact O-N 3.17Å; E653-R657 IonicContact OE1-CZ 2.95Å; E653-R657 IonicContact OE1-NE 3.84Å; E653-R657 PolarHBondContact OE1-NE 2.78Å; E653-R657 IonicContact OE1-NH2 3.59Å; E653-R657 PolarHBondContact OE1-NH2 3.08Å
654	Q	98.8	Very high	98.6	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-63.7	-50	176.9	-178.7	66.3	66.4	0	0	111.6	P467 I469 I470 F473 L650 I651 S652 R656 R657 L658	P467-Q654 PolarHBondContact O-NE2 2.74Å; I469-Q654 HydrophobicContact CD1-CG 4.41Å; I470-Q654 VanDerWaalsContact CB-OE1 3.31Å; I470-Q654 HydrophobicContact CD1-CB 4.46Å; I470-Q654 VanDerWaalsContact CG1-OE1 3.31Å; F473-Q654 HydrophobicContact CB-CB 4.2Å; F473-Q654 HydrophobicContact CB-CG 4.48Å; F473-Q654 HydrophobicContact CD1-CB 4.17Å; F473-Q654 HydrophobicContact CD1-CG 3.7Å; F473-Q654 HydrophobicContact CD2-CB 3.28Å; F473-Q654 HydrophobicContact CD2-CG 3.73Å; F473-Q654 HydrophobicContact CE1-CB 4.33Å; F473-Q654 HydrophobicContact CE1-CG 3.65Å; F473-Q654 HydrophobicContact CE2-CB 3.45Å; F473-Q654 VanDerWaalsContact CE2-CB 3.45Å; F473-Q654 HydrophobicContact CE2-CG 3.65Å; F473-Q654 HydrophobicContact CG-CB 3.65Å; F473-Q654 HydrophobicContact CG-CG 3.72Å; F473-Q654 HydrophobicContact CZ-CB 3.96Å; F473-Q654 HydrophobicContact CZ-CG 3.58Å; L650-Q654 PolarHBondContact O-N 3.25Å; I651-Q654 PolarHBondContact O-N 2.66Å; S652-Q654 PolarHBondContact O-N 2.63Å; Q654-R656 VanDerWaalsContact C-N 3.27Å; Q654-R656 PolarHBondContact O-N 3.12Å; Q654-R657 WeakPolarHBondContact O-CB 3.46Å; Q654-R657 PolarHBondContact O-N 2.86Å; Q654-L658 HydrophobicContact CG-CD1 4.1Å; Q654-L658 HydrophobicContact CG-CG 4.15Å; Q654-L658 WeakPolarHBondContact O-CG 3.4Å; Q654-L658 PolarHBondContact O-N 2.9Å
655	F	98.8	Very high	98.6	Very high	3 Å²	3	13.4 Å²	13.4	1%	0.013	6%	0.059	C	C	.	.	H	α-helix	trans	-66	-29.7	-177.2	-81.6	-77.7	0	0	0	112.1	I254 L327 T438 Y439 W442 L443 I455 F473 M478 I651 S652 L658 R659	I254-F655 HydrophobicContact CD1-CE1 4.41Å; I254-F655 HydrophobicContact CD1-CZ 3.98Å; L327-F655 HydrophobicContact CD1-CE1 4.23Å; T438-F655 HydrophobicContact CG2-CD1 4.25Å; T438-F655 HydrophobicContact CG2-CE1 3.63Å; T438-F655 HydrophobicContact CG2-CZ 4.36Å; Y439-F655 HydrophobicContact CE1-CB 4.25Å; Y439-F655 HydrophobicContact CE2-CD1 4.11Å; Y439-F655 AromaticContact CZ-CD1 3.89Å; Y439-F655 PolarHBondContact OH-O 2.87Å; W442-F655 HydrophobicContact CZ3-CE2 4.09Å; W442-F655 AromaticContact CZ3-CZ 3.99Å; W442-F655 HydrophobicContact CZ3-CZ 3.99Å; L443-F655 HydrophobicContact CD1-CB 3.85Å; L443-F655 HydrophobicContact CD1-CD1 3.69Å; L443-F655 HydrophobicContact CD1-CD2 4.31Å; L443-F655 HydrophobicContact CD1-CE1 4.3Å; L443-F655 HydrophobicContact CD1-CG 3.69Å; L443-F655 HydrophobicContact CD2-CB 4.4Å; L443-F655 HydrophobicContact CD2-CD1 4.16Å; L443-F655 HydrophobicContact CD2-CD2 3.49Å; L443-F655 VanDerWaalsContact CD2-CD2 3.49Å; L443-F655 HydrophobicContact CD2-CE1 4.3Å; L443-F655 HydrophobicContact CD2-CE2 3.66Å; L443-F655 HydrophobicContact CD2-CG 3.76Å; L443-F655 HydrophobicContact CD2-CZ 4.06Å; L443-F655 HydrophobicContact CG-CD1 4.36Å; L443-F655 HydrophobicContact CG-CD2 4.49Å; L443-F655 HydrophobicContact CG-CG 4.32Å; I455-F655 HydrophobicContact CD1-CB 4.26Å; F473-F655 HydrophobicContact CE2-CD2 4.01Å; F473-F655 AromaticContact CE2-CE2 3.79Å; F473-F655 HydrophobicContact CE2-CE2 3.79Å; F473-F655 HydrophobicContact CZ-CD2 4.29Å; F473-F655 AromaticContact CZ-CE2 3.78Å; F473-F655 HydrophobicContact CZ-CE2 3.78Å; F473-F655 HydrophobicContact CZ-CZ 4.29Å; M478-F655 HydrophobicContact CE-CE2 3.87Å; M478-F655 HydrophobicContact CE-CZ 3.97Å; M478-F655 HydrophobicContact SD-CE2 3.97Å; I651-F655 HydrophobicContact CG2-CD2 3.67Å; I651-F655 HydrophobicContact CG2-CE2 3.82Å; I651-F655 VanDerWaalsContact O-CD2 3.29Å; I651-F655 WeakPolarHBondContact O-CD2 3.11Å; I651-F655 PolarHBondContact O-N 3.19Å; S652-F655 PolarHBondContact O-N 2.86Å; F655-L658 HydrophobicContact CD1-CD1 4.2Å; F655-L658 HydrophobicContact CE1-CD1 4.39Å; F655-R659 WeakPolarHBondContact O-CB 3.17Å; F655-R659 PolarHBondContact O-N 3.34Å; F655-R659 VanDerWaalsContact O-N 3.17Å
656	R	98.5	Very high	98.6	Very high	93 Å²	93	12.8 Å²	12.8	35%	0.351	6%	0.055	S	C	.	.	H	α-helix	trans	-62.8	-47.1	169.3	-171.9	-177.9	68.7	-156.5	-5.5	110.9	S652 E653 Q654 L658 R659 D660	S652-R656 WeakPolarHBondContact O-CB 3.44Å; S652-R656 PolarHBondContact O-N 2.72Å; E653-R656 VanDerWaalsContact CD-NH2 3.28Å; E653-R656 IonicContact OE1-NH2 3.54Å; E653-R656 PolarHBondContact OE1-NH2 3.05Å; E653-R656 IonicContact OE2-CZ 2.74Å; E653-R656 IonicContact OE2-NH1 3.19Å; E653-R656 IonicContact OE2-NH2 2.8Å; E653-R656 PolarHBondContact OE2-NH2 3.07Å; Q654-R656 VanDerWaalsContact C-N 3.27Å; Q654-R656 PolarHBondContact O-N 3.12Å; R656-L658 PolarHBondContact O-N 3.09Å; R656-R659 PolarHBondContact O-N 2.96Å; R656-D660 WeakPolarHBondContact CG-OD2 3.44Å; R656-D660 WeakPolarHBondContact O-CB 3.26Å; R656-D660 PolarHBondContact O-N 2.84Å
657	R	98.6	Very high	98.6	Very high	65 Å²	65	15.5 Å²	15.5	25%	0.245	7%	0.067	C	C	.	.	H	α-helix	trans	-63	-40.1	177.7	-68.2	175	-175.8	-119.3	-1.4	113.4	V465 E653 Q654 R659 G661	V465-R657 HydrophobicContact CG1-CB 4.06Å; V465-R657 HydrophobicContact CG1-CG 4.03Å; E653-R657 WeakPolarHBondContact O-CG 3.46Å; E653-R657 PolarHBondContact O-N 3.01Å; E653-R657 VanDerWaalsContact O-N 3.17Å; E653-R657 IonicContact OE1-CZ 2.95Å; E653-R657 IonicContact OE1-NE 3.84Å; E653-R657 PolarHBondContact OE1-NE 2.78Å; E653-R657 IonicContact OE1-NH2 3.59Å; E653-R657 PolarHBondContact OE1-NH2 3.08Å; Q654-R657 WeakPolarHBondContact O-CB 3.46Å; Q654-R657 PolarHBondContact O-N 2.86Å; R657-R659 PolarHBondContact O-N 2.9Å; R657-G661 WeakPolarHBondContact O-CA 3.28Å; R657-G661 PolarHBondContact O-N 3.26Å
658	L	98.8	Very high	98.5	Very high	5 Å²	5	16 Å²	16	3%	0.026	7%	0.07	C	C	.	.	H	α-helix	trans	-63.2	-31	176.2	-69.3	-176.2	0	0	0	112.7	T258 A325 P467 I469 Q654 F655 R656 D662	T258-L658 HydrophobicContact CG2-CD1 4.26Å; A325-L658 HydrophobicContact CB-CD2 4.28Å; A325-L658 WeakPolarHBondContact O-CD2 3.26Å; P467-L658 VanDerWaalsContact O-CD2 3.27Å; P467-L658 WeakPolarHBondContact O-CD2 3.25Å; I469-L658 HydrophobicContact CD1-CD1 4.46Å; I469-L658 HydrophobicContact CD1-CD2 4Å; Q654-L658 HydrophobicContact CG-CD1 4.1Å; Q654-L658 HydrophobicContact CG-CG 4.15Å; Q654-L658 WeakPolarHBondContact O-CG 3.4Å; Q654-L658 PolarHBondContact O-N 2.9Å; F655-L658 HydrophobicContact CD1-CD1 4.2Å; F655-L658 HydrophobicContact CE1-CD1 4.39Å; R656-L658 PolarHBondContact O-N 3.09Å; L658-D662 WeakPolarHBondContact O-CB 3.3Å
659	R	98.8	Very high	98.2	Very high	11 Å²	11	20 Å²	20	4%	0.042	10%	0.096	C	C	.	.	H	α-helix	trans	-82.3	-53.9	177.4	-172.9	-173.2	66.1	-176.3	1.4	111.9	Y439 P456 Y458 F655 R656 R657 W665	Y439-R659 HydrophobicContact CE1-CB 3.82Å; Y439-R659 HydrophobicContact CE1-CG 4.27Å; Y439-R659 PolarHBondContact OH-N 2.92Å; P456-R659 VanDerWaalsContact O-CZ 3.3Å; P456-R659 PolarHBondContact O-NH1 3Å; P456-R659 PolarHBondContact O-NH2 2.92Å; Y458-R659 HydrophobicContact CD2-CG 3.82Å; Y458-R659 HydrophobicContact CE2-CG 4.16Å; F655-R659 WeakPolarHBondContact O-CB 3.17Å; F655-R659 PolarHBondContact O-N 3.34Å; F655-R659 VanDerWaalsContact O-N 3.17Å; R656-R659 PolarHBondContact O-N 2.96Å; R657-R659 PolarHBondContact O-N 2.9Å; R659-W665 HydrophobicContact CB-CE3 4.4Å; R659-W665 HydrophobicContact CB-CZ3 4.46Å; R659-W665 HydrophobicContact CG-CD2 3.63Å; R659-W665 VanDerWaalsContact CG-CE2 3.45Å; R659-W665 HydrophobicContact CG-CE3 3.95Å; R659-W665 HydrophobicContact CG-CG 4.19Å; R659-W665 HydrophobicContact CG-CH2 3.98Å; R659-W665 HydrophobicContact CG-CZ2 3.64Å; R659-W665 HydrophobicContact CG-CZ3 4.12Å
660	D	98.7	Very high	98	Very high	20 Å²	20	22 Å²	22	11%	0.107	10%	0.104	C	C	.	.	H	α-helix	trans	-78	-30.2	-168.4	-60.4	-11.6	0	0	0	111.2	Y461 D462 V465 R656	Y461-D660 WeakPolarHBondContact CD2-O 3.37Å; D462-D660 PolarHBondContact N-O 2.69Å; V465-D660 HydrophobicContact CG2-CB 4.47Å; R656-D660 WeakPolarHBondContact CG-OD2 3.44Å; R656-D660 WeakPolarHBondContact O-CB 3.26Å; R656-D660 PolarHBondContact O-N 2.84Å
661	G	98.6	Very high	97.8	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.1	5.9	176.9	0	0	0	0	0	115.2	R657	R657-G661 WeakPolarHBondContact O-CA 3.28Å; R657-G661 PolarHBondContact O-N 3.26Å
662	D	98.8	Very high	97.7	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.107	C	C	.	.			trans	-102.3	106.6	178.4	-179.7	13	0	0	0	111.2	R177 N184 F326 Q435 L658 F664 W665	R177-D662 IonicContact CZ-OD1 2.81Å; R177-D662 IonicContact CZ-OD2 3.34Å; R177-D662 IonicContact NH1-OD1 2.71Å; R177-D662 PolarHBondContact NH1-OD1 3.42Å; R177-D662 IonicContact NH1-OD2 3.91Å; R177-D662 PolarHBondContact NH1-OD2 3.14Å; R177-D662 VanDerWaalsContact NH1-OD2 3.17Å; R177-D662 IonicContact NH2-OD1 2.6Å; R177-D662 PolarHBondContact NH2-OD1 3.07Å; R177-D662 IonicContact NH2-OD2 3.14Å; R177-D662 PolarHBondContact NH2-OD2 3.2Å; N184-D662 PolarHBondContact ND2-OD1 3.39Å; F326-D662 HydrophobicContact CD1-CB 3.88Å; F326-D662 HydrophobicContact CE1-CB 4.16Å; Q435-D662 PolarHBondContact NE2-OD2 3.19Å; L658-D662 WeakPolarHBondContact O-CB 3.3Å; D662-F664 PolarHBondContact O-N 2.87Å; D662-F664 VanDerWaalsContact O-N 3.12Å; D662-F664 PolarHBondContact OD1-N 2.91Å; D662-W665 HydrophobicContact CB-CB 4.31Å; D662-W665 VanDerWaalsContact O-CB 3.26Å; D662-W665 WeakPolarHBondContact O-CB 3.47Å; D662-W665 PolarHBondContact O-N 2.04Å; D662-W665 PolarHBondContact OD2-N 3.29Å
663	R	98	Very high	97.5	Very high	8 Å²	8	22.8 Å²	22.8	3%	0.03	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-26.7	177.6	-174.1	168.4	57.2	79.9	-0.7	112.4	H173 C183 N184 Y461 N668 I671	H173-R663 PolarHBondContact O-NH1 3.18Å; H173-R663 PolarHBondContact O-NH2 2.03Å; C183-R663 PolarHBondContact O-NH2 3.07Å; N184-R663 PolarHBondContact O-NE 3.25Å; N184-R663 WeakPolarHBondContact OD1-CB 2.97Å; N184-R663 PolarHBondContact OD1-N 2.96Å; Y461-R663 HydrophobicContact CD1-CB 4.24Å; Y461-R663 HydrophobicContact CD1-CG 4.15Å; Y461-R663 HydrophobicContact CD2-CB 4.13Å; Y461-R663 HydrophobicContact CE1-CB 4Å; Y461-R663 HydrophobicContact CE1-CG 4.03Å; Y461-R663 HydrophobicContact CE2-CB 3.88Å; Y461-R663 HydrophobicContact CG-CB 4.3Å; R663-N668 PolarHBondContact O-ND2 3.32Å; R663-I671 WeakPolarHBondContact O-CD1 3.5Å
664	F	98.3	Very high	97.4	Very high	10 Å²	10	26.3 Å²	26.3	4%	0.044	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.4	14.7	-179	-69.4	-86	0	0	0	113.1	H173 Y176 R177 D662 Y666 I671	H173-F664 WeakPolarHBondContact O-CZ 3.25Å; Y176-F664 VanDerWaalsContact C-CZ 3.43Å; Y176-F664 WeakPolarHBondContact O-CZ 2.98Å; R177-F664 HydrophobicContact CG-CB 3.9Å; R177-F664 HydrophobicContact CG-CD1 4Å; R177-F664 HydrophobicContact CG-CD2 3.66Å; R177-F664 HydrophobicContact CG-CE1 4.39Å; R177-F664 HydrophobicContact CG-CE2 4.05Å; R177-F664 HydrophobicContact CG-CG 3.62Å; R177-F664 HydrophobicContact CG-CZ 4.39Å; R177-F664 PolarHBondContact NH2-O 3.41Å; D662-F664 PolarHBondContact O-N 2.87Å; D662-F664 VanDerWaalsContact O-N 3.12Å; D662-F664 PolarHBondContact OD1-N 2.91Å; F664-Y666 PolarHBondContact O-N 3.02Å; F664-I671 HydrophobicContact CB-CD1 4.39Å; F664-I671 HydrophobicContact CD1-CD1 3.71Å; F664-I671 HydrophobicContact CE1-CD1 4.42Å; F664-I671 HydrophobicContact CG-CD1 4.26Å
665	W	98.6	Very high	97.3	Very high	3 Å²	3	30.9 Å²	30.9	1%	0.011	15%	0.154	C	C	.	.			trans	-51.2	133.8	171.4	175.4	-109.7	0	0	0	110.7	Q435 Y439 Y458 R659 D662 Q667 N668	Q435-W665 HydrophobicContact CB-CE3 4.29Å; Q435-W665 HydrophobicContact CB-CH2 4.08Å; Q435-W665 HydrophobicContact CB-CZ3 3.65Å; Q435-W665 HydrophobicContact CG-CE3 4.09Å; Q435-W665 HydrophobicContact CG-CZ3 3.75Å; Y439-W665 HydrophobicContact CD1-CH2 4.05Å; Y439-W665 AromaticContact CD2-CH2 3.36Å; Y439-W665 HydrophobicContact CD2-CH2 3.36Å; Y439-W665 AromaticContact CD2-CZ3 3.78Å; Y439-W665 HydrophobicContact CD2-CZ3 3.78Å; Y439-W665 HydrophobicContact CE1-CH2 4.25Å; Y439-W665 AromaticContact CE2-CH2 3.58Å; Y439-W665 HydrophobicContact CE2-CH2 3.58Å; Y439-W665 AromaticContact CE2-CZ3 3.54Å; Y439-W665 HydrophobicContact CE2-CZ3 3.54Å; Y439-W665 AromaticContact CG-CH2 3.59Å; Y439-W665 HydrophobicContact CG-CH2 3.59Å; Y439-W665 HydrophobicContact CG-CZ2 4.4Å; Y439-W665 HydrophobicContact CG-CZ3 4.41Å; Y458-W665 AromaticContact CD1-CD1 3.88Å; Y458-W665 AromaticContact CD1-NE1 3.81Å; Y458-W665 AromaticContact CE1-CD1 3.44Å; Y458-W665 VanDerWaalsContact CE1-CD1 3.44Å; Y458-W665 AromaticContact CE1-NE1 3.89Å; Y458-W665 AromaticContact CE2-CD1 3.67Å; Y458-W665 HydrophobicContact CE2-CG 4.33Å; Y458-W665 AromaticContact CG-NE1 3.88Å; Y458-W665 AromaticContact CZ-CD1 3.3Å; Y458-W665 AromaticContact CZ-NE1 4Å; R659-W665 HydrophobicContact CB-CE3 4.4Å; R659-W665 HydrophobicContact CB-CZ3 4.46Å; R659-W665 HydrophobicContact CG-CD2 3.63Å; R659-W665 VanDerWaalsContact CG-CE2 3.45Å; R659-W665 HydrophobicContact CG-CE3 3.95Å; R659-W665 HydrophobicContact CG-CG 4.19Å; R659-W665 HydrophobicContact CG-CH2 3.98Å; R659-W665 HydrophobicContact CG-CZ2 3.64Å; R659-W665 HydrophobicContact CG-CZ3 4.12Å; D662-W665 HydrophobicContact CB-CB 4.31Å; D662-W665 VanDerWaalsContact O-CB 3.26Å; D662-W665 WeakPolarHBondContact O-CB 3.47Å; D662-W665 PolarHBondContact O-N 2.04Å; D662-W665 PolarHBondContact OD2-N 3.29Å; W665-Q667 PolarHBondContact O-N 3.18Å; W665-Q667 VanDerWaalsContact O-N 3.12Å; W665-N668 VanDerWaalsContact O-CB 3.23Å; W665-N668 WeakPolarHBondContact O-CB 3.24Å; W665-N668 PolarHBondContact O-N 2.98Å
666	Y	98.2	Very high	97.2	Very high	8 Å²	8	31.8 Å²	31.8	3%	0.031	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-26.4	-168.4	80	-82.6	0	0	0	114.4	A432 Q435 V436 F664 L677 E681	A432-Y666 HydrophobicContact CB-CG 4.45Å; Q435-Y666 HydrophobicContact CB-CD1 3.58Å; Q435-Y666 HydrophobicContact CB-CE1 4.01Å; V436-Y666 HydrophobicContact CG2-CD1 4.34Å; V436-Y666 HydrophobicContact CG2-CD2 3.87Å; V436-Y666 HydrophobicContact CG2-CE1 3.94Å; V436-Y666 HydrophobicContact CG2-CE2 3.45Å; V436-Y666 VanDerWaalsContact CG2-CE2 3.45Å; V436-Y666 HydrophobicContact CG2-CG 4.29Å; V436-Y666 VanDerWaalsContact CG2-CZ 3.49Å; F664-Y666 PolarHBondContact O-N 3.02Å; Y666-L677 HydrophobicContact CD2-CD1 3.59Å; Y666-L677 HydrophobicContact CE2-CD1 3.82Å; Y666-E681 HydrophobicContact CE2-CG 4.42Å; Y666-E681 WeakPolarHBondContact CE2-OE1 3.41Å; Y666-E681 PolarHBondContact OH-OE1 2.82Å; Y666-E681 VanDerWaalsContact OH-OE1 3.09Å
667	Q	97.8	Very high	97.2	Very high	57 Å²	57	29.5 Å²	29.5	27%	0.266	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-0.5	176.4	-51.2	177.8	-55	0	0	113.2	Y458 W665 P669 L677 E681	Y458-Q667 HydrophobicContact CD1-CB 3.94Å; Y458-Q667 HydrophobicContact CE1-CB 4.13Å; W665-Q667 PolarHBondContact O-N 3.18Å; W665-Q667 VanDerWaalsContact O-N 3.12Å; Q667-P669 WeakPolarHBondContact O-CD 3.49Å; Q667-L677 HydrophobicContact CG-CD1 4.23Å; Q667-E681 PolarHBondContact NE2-OE1 3.24Å
668	N	96.6	Very high	97.1	Very high	10 Å²	10	32 Å²	32	5%	0.053	17%	0.167	C	C	.	.	S	Bend	trans	-68	121.3	171.8	-178	9.1	0	0	0	109	R663 W665 E670 I671	R663-N668 PolarHBondContact O-ND2 3.32Å; W665-N668 VanDerWaalsContact O-CB 3.23Å; W665-N668 WeakPolarHBondContact O-CB 3.24Å; W665-N668 PolarHBondContact O-N 2.98Å; N668-E670 PolarHBondContact O-N 3.44Å; N668-I671 HydrophobicContact CB-CG1 3.88Å; N668-I671 PolarHBondContact O-N 3.16Å
669	P	94.1	Very high	97.1	Very high	86 Å²	86	32.4 Å²	32.4	56%	0.558	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-15	-175	-27.6	35.9	0	0	0	115.6	A118 Q667 I671	A118-P669 WeakPolarHBondContact CB-O 3.17Å; A118-P669 PolarHBondContact N-O 3.38Å; Q667-P669 WeakPolarHBondContact O-CD 3.49Å; P669-I671 VanDerWaalsContact C-N 3.35Å
670	E	93.1	Very high	97.1	Very high	57 Å²	57	31.9 Å²	31.9	27%	0.266	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-12.4	177.2	-68.5	-174	-162.4	0	0	114.4	R121 N668	R121-E670 IonicContact CZ-OE2 3.89Å; R121-E670 PolarHBondContact NH1-O 3.5Å; R121-E670 IonicContact NH1-OE2 2.88Å; R121-E670 VanDerWaalsContact NH2-CG 3.34Å; R121-E670 IonicContact NH2-OE2 3.91Å; R121-E670 PolarHBondContact NH2-OE2 3.36Å; N668-E670 PolarHBondContact O-N 3.44Å
671	I	95.3	Very high	97	Very high	6 Å²	6	33.2 Å²	33.2	3%	0.031	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.9	-48.4	-167	-54.8	-54.5	0	0	0	112.9	K428 R663 F664 N668 P669	K428-I671 VanDerWaalsContact CE-O 3.25Å; K428-I671 WeakPolarHBondContact CE-O 3.5Å; K428-I671 PolarHBondContact NZ-O 3.47Å; R663-I671 WeakPolarHBondContact O-CD1 3.5Å; F664-I671 HydrophobicContact CB-CD1 4.39Å; F664-I671 HydrophobicContact CD1-CD1 3.71Å; F664-I671 HydrophobicContact CE1-CD1 4.42Å; F664-I671 HydrophobicContact CG-CD1 4.26Å; N668-I671 HydrophobicContact CB-CG1 3.88Å; N668-I671 PolarHBondContact O-N 3.16Å; P669-I671 VanDerWaalsContact C-N 3.35Å
672	F	96.2	Very high	97	Very high	7 Å²	7	36.4 Å²	36.4	3%	0.031	19%	0.186	C	C	.	.	S	Bend	trans	-125.8	148.5	177.1	-67.6	-76.7	0	0	0	110.1	A118 K428 A432 Q676 L680 W726	A118-F672 VanDerWaalsContact CB-O 3.3Å; A118-F672 WeakPolarHBondContact CB-O 3.47Å; K428-F672 HydrophobicContact CD-CE1 4.16Å; K428-F672 HydrophobicContact CD-CZ 4.22Å; K428-F672 HydrophobicContact CG-CE1 4.07Å; K428-F672 HydrophobicContact CG-CZ 3.7Å; A432-F672 HydrophobicContact CB-CE2 3.68Å; A432-F672 HydrophobicContact CB-CZ 3.79Å; F672-Q676 HydrophobicContact CB-CB 3.93Å; F672-Q676 HydrophobicContact CD1-CB 4.17Å; F672-Q676 HydrophobicContact CG-CB 4.47Å; F672-L680 HydrophobicContact CB-CD1 4.4Å; F672-L680 HydrophobicContact CD1-CD1 3.81Å; F672-L680 HydrophobicContact CD2-CD1 3.58Å; F672-L680 HydrophobicContact CE1-CD1 3.84Å; F672-L680 HydrophobicContact CE2-CD1 3.62Å; F672-L680 HydrophobicContact CG-CD1 3.67Å; F672-L680 HydrophobicContact CZ-CD1 3.72Å; F672-W726 AromaticContact CD1-CZ2 3.89Å; F672-W726 HydrophobicContact CD1-CZ2 3.89Å; F672-W726 AromaticContact CE1-CZ2 3.91Å; F672-W726 HydrophobicContact CE1-CZ2 3.91Å
673	S	95.1	Very high	97	Very high	10 Å²	10	36.5 Å²	36.5	7%	0.07	19%	0.187	C	C	.	.			trans	-64.6	159.7	171.9	84	0	0	0	0	110.6	S119 E675 Q676 L677	S119-S673 VanDerWaalsContact OG-CB 3.24Å; S119-S673 WeakPolarHBondContact OG-CB 3.43Å; S673-E675 VanDerWaalsContact CB-OE2 3.25Å; S673-E675 WeakPolarHBondContact CB-OE2 3.22Å; S673-E675 PolarHBondContact O-N 3.02Å; S673-E675 PolarHBondContact OG-N 3.12Å; S673-E675 PolarHBondContact OG-OE2 2.88Å; S673-Q676 VanDerWaalsContact N-OE1 3.11Å; S673-Q676 PolarHBondContact O-N 2.79Å; S673-Q676 VanDerWaalsContact O-N 3.11Å; S673-Q676 WeakPolarHBondContact OG-CG 3.36Å; S673-Q676 PolarHBondContact OG-N 3.24Å; S673-L677 WeakPolarHBondContact O-CB 3.24Å; S673-L677 PolarHBondContact O-N 3.25Å
674	P	95.5	Very high	97	Very high	93 Å²	93	37.5 Å²	37.5	60%	0.604	19%	0.194	S	C	*	.	H	α-helix	trans	-53.1	-39.4	175.2	-27.8	36.5	0	0	0	113.3	L677 E678	P674-L677 PolarHBondContact O-N 2.86Å; P674-E678 PolarHBondContact O-N 3.35Å
675	E	96.2	Very high	97	Very high	96 Å²	96	37.1 Å²	37.1	45%	0.449	19%	0.192	S	C	.	.	H	α-helix	trans	-69.1	-40.9	178.1	-52.2	79.2	-176.4	0	0	111.8	S673 E678 E679 K725	S673-E675 VanDerWaalsContact CB-OE2 3.25Å; S673-E675 WeakPolarHBondContact CB-OE2 3.22Å; S673-E675 PolarHBondContact O-N 3.02Å; S673-E675 PolarHBondContact OG-N 3.12Å; S673-E675 PolarHBondContact OG-OE2 2.88Å; E675-E678 PolarHBondContact O-N 2.77Å; E675-E679 WeakPolarHBondContact O-CG 2.94Å; E675-E679 PolarHBondContact O-N 2.94Å; E675-K725 HydrophobicContact CB-CB 4.41Å; E675-K725 HydrophobicContact CB-CD 4.16Å; E675-K725 HydrophobicContact CB-CG 4.27Å
676	Q	97.5	Very high	97	Very high	23 Å²	23	37 Å²	37	11%	0.107	19%	0.192	C	C	.	.	H	α-helix	trans	-64.9	-41	175	-72	173.8	-11.8	0	0	111.5	F672 S673 E679 L680 K725 W726	F672-Q676 HydrophobicContact CB-CB 3.93Å; F672-Q676 HydrophobicContact CD1-CB 4.17Å; F672-Q676 HydrophobicContact CG-CB 4.47Å; S673-Q676 VanDerWaalsContact N-OE1 3.11Å; S673-Q676 PolarHBondContact O-N 2.79Å; S673-Q676 VanDerWaalsContact O-N 3.11Å; S673-Q676 WeakPolarHBondContact OG-CG 3.36Å; S673-Q676 PolarHBondContact OG-N 3.24Å; Q676-E679 PolarHBondContact O-N 2.96Å; Q676-L680 WeakPolarHBondContact O-CG 3.33Å; Q676-L680 PolarHBondContact O-N 2.93Å; Q676-K725 HydrophobicContact CG-CB 4.17Å; Q676-K725 WeakPolarHBondContact CG-O 3.44Å; Q676-K725 PolarHBondContact NE2-O 3.25Å; Q676-W726 HydrophobicContact CB-CH2 3.6Å; Q676-W726 HydrophobicContact CB-CZ2 3.66Å; Q676-W726 HydrophobicContact CB-CZ3 4.09Å; Q676-W726 HydrophobicContact CG-CD2 3.89Å; Q676-W726 HydrophobicContact CG-CE3 3.96Å; Q676-W726 HydrophobicContact CG-CH2 3.86Å; Q676-W726 HydrophobicContact CG-CZ2 3.8Å; Q676-W726 HydrophobicContact CG-CZ3 3.94Å; Q676-W726 WeakPolarHBondContact O-CH2 3.35Å
677	L	97.7	Very high	97	Very high	44 Å²	44	36.9 Å²	36.9	23%	0.23	19%	0.191	C	C	.	.	H	α-helix	trans	-63.3	-43.5	177.7	178.7	59.1	0	0	0	111.5	Y666 Q667 S673 P674 E679 L680 E681	Y666-L677 HydrophobicContact CD2-CD1 3.59Å; Y666-L677 HydrophobicContact CE2-CD1 3.82Å; Q667-L677 HydrophobicContact CG-CD1 4.23Å; S673-L677 WeakPolarHBondContact O-CB 3.24Å; S673-L677 PolarHBondContact O-N 3.25Å; P674-L677 PolarHBondContact O-N 2.86Å; L677-E679 VanDerWaalsContact C-N 3.26Å; L677-E679 PolarHBondContact O-N 2.82Å; L677-L680 PolarHBondContact O-N 3.39Å; L677-E681 HydrophobicContact CD1-CG 4.35Å; L677-E681 WeakPolarHBondContact O-CG 3.4Å; L677-E681 PolarHBondContact O-N 3.31Å
678	E	98	Very high	97	Very high	118 Å²	118	34.1 Å²	34.1	55%	0.551	18%	0.178	S	C	*	.	H	α-helix	trans	-57.6	-40.3	175.7	-168.9	-166.9	148.6	0	0	111.8	P674 E675 K682	P674-E678 PolarHBondContact O-N 3.35Å; E675-E678 PolarHBondContact O-N 2.77Å; E678-K682 WeakPolarHBondContact O-CE 3.32Å; E678-K682 WeakPolarHBondContact O-CG 3.01Å; E678-K682 IonicContact OE1-NZ 2.72Å; E678-K682 PolarHBondContact OE1-NZ 3.05Å
679	E	98.4	Very high	97.1	Very high	13 Å²	13	33.7 Å²	33.7	6%	0.061	18%	0.176	C	C	.	.	H	α-helix	trans	-70.8	-40.4	177	-63.6	-55.3	137.9	0	0	112.8	E675 Q676 L677 E681 K682 I721 D722 K725 W726	E675-E679 WeakPolarHBondContact O-CG 2.94Å; E675-E679 PolarHBondContact O-N 2.94Å; Q676-E679 PolarHBondContact O-N 2.96Å; L677-E679 VanDerWaalsContact C-N 3.26Å; L677-E679 PolarHBondContact O-N 2.82Å; E679-E681 VanDerWaalsContact C-N 3.31Å; E679-E681 PolarHBondContact O-N 2.9Å; E679-K682 VanDerWaalsContact CD-NZ 3.27Å; E679-K682 WeakPolarHBondContact O-CB 3.49Å; E679-K682 PolarHBondContact O-N 2.66Å; E679-K682 IonicContact OE1-NZ 3.88Å; E679-K682 PolarHBondContact OE1-NZ 3.31Å; E679-K682 IonicContact OE2-NZ 2.65Å; E679-K682 PolarHBondContact OE2-NZ 3.43Å; E679-I721 HydrophobicContact CB-CG2 3.84Å; E679-D722 HydrophobicContact CG-CB 4.16Å; E679-D722 PolarHBondContact OE2-N 2.63Å; E679-K725 HydrophobicContact CG-CG 3.78Å; E679-W726 HydrophobicContact CB-CH2 4.42Å; E679-W726 HydrophobicContact CB-CZ3 4.13Å
680	L	98.3	Very high	97.2	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-61.4	-39.5	176.6	-74.8	166.4	0	0	0	112	I429 A432 F672 Q676 L677 K682 F683 I721 W726	I429-L680 HydrophobicContact CG2-CD2 4.22Å; A432-L680 HydrophobicContact CB-CD1 3.92Å; A432-L680 HydrophobicContact CB-CD2 3.86Å; A432-L680 HydrophobicContact CB-CG 4.48Å; F672-L680 HydrophobicContact CB-CD1 4.4Å; F672-L680 HydrophobicContact CD1-CD1 3.81Å; F672-L680 HydrophobicContact CD2-CD1 3.58Å; F672-L680 HydrophobicContact CE1-CD1 3.84Å; F672-L680 HydrophobicContact CE2-CD1 3.62Å; F672-L680 HydrophobicContact CG-CD1 3.67Å; F672-L680 HydrophobicContact CZ-CD1 3.72Å; Q676-L680 WeakPolarHBondContact O-CG 3.33Å; Q676-L680 PolarHBondContact O-N 2.93Å; L677-L680 PolarHBondContact O-N 3.39Å; L680-K682 PolarHBondContact O-N 3.45Å; L680-K682 VanDerWaalsContact O-N 3.16Å; L680-F683 WeakPolarHBondContact O-CB 3.46Å; L680-F683 PolarHBondContact O-N 3.01Å; L680-I721 HydrophobicContact CD2-CD1 4.33Å; L680-W726 HydrophobicContact CD1-CH2 4.41Å; L680-W726 HydrophobicContact CD1-CZ2 4.24Å; L680-W726 HydrophobicContact CD2-CH2 4.42Å; L680-W726 HydrophobicContact CD2-CZ2 4.48Å; L680-W726 HydrophobicContact CG-CH2 4Å; L680-W726 HydrophobicContact CG-CZ2 4.23Å
681	E	97.7	Very high	97.5	Very high	49 Å²	49	29.7 Å²	29.7	23%	0.229	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-18.2	177.9	-79.1	-74.2	176	0	0	113.5	K440 Y666 Q667 L677 E679 F683	K440-E681 PolarHBondContact NZ-O 3.35Å; K440-E681 IonicContact NZ-OE2 2.77Å; K440-E681 PolarHBondContact NZ-OE2 2.85Å; Y666-E681 HydrophobicContact CE2-CG 4.42Å; Y666-E681 WeakPolarHBondContact CE2-OE1 3.41Å; Y666-E681 PolarHBondContact OH-OE1 2.82Å; Y666-E681 VanDerWaalsContact OH-OE1 3.09Å; Q667-E681 PolarHBondContact NE2-OE1 3.24Å; L677-E681 HydrophobicContact CD1-CG 4.35Å; L677-E681 WeakPolarHBondContact O-CG 3.4Å; L677-E681 PolarHBondContact O-N 3.31Å; E679-E681 VanDerWaalsContact C-N 3.31Å; E679-E681 PolarHBondContact O-N 2.9Å; E681-F683 VanDerWaalsContact C-N 3.35Å
682	K	97.8	Very high	97.5	Very high	66 Å²	66	30 Å²	30	29%	0.287	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-16.6	175.7	-63	168.3	-165.9	174.5	0	112.8	E678 E679 L680 P719	E678-K682 WeakPolarHBondContact O-CE 3.32Å; E678-K682 WeakPolarHBondContact O-CG 3.01Å; E678-K682 IonicContact OE1-NZ 2.72Å; E678-K682 PolarHBondContact OE1-NZ 3.05Å; E679-K682 VanDerWaalsContact CD-NZ 3.27Å; E679-K682 WeakPolarHBondContact O-CB 3.49Å; E679-K682 PolarHBondContact O-N 2.66Å; E679-K682 IonicContact OE1-NZ 3.88Å; E679-K682 PolarHBondContact OE1-NZ 3.31Å; E679-K682 IonicContact OE2-NZ 2.65Å; E679-K682 PolarHBondContact OE2-NZ 3.43Å; L680-K682 PolarHBondContact O-N 3.45Å; L680-K682 VanDerWaalsContact O-N 3.16Å; K682-P719 HydrophobicContact CB-CB 3.99Å
683	F	98.3	Very high	97.5	Very high	2 Å²	2	30.3 Å²	30.3	1%	0.009	16%	0.156	C	C	.	.			trans	-72.2	142.8	-174	-162.2	-104.8	0	0	0	112.2	M433 I437 L680 E681 R687 L688 I721	M433-F683 HydrophobicContact CB-CD1 3.72Å; M433-F683 HydrophobicContact CB-CE1 3.68Å; M433-F683 HydrophobicContact CB-CZ 4.48Å; M433-F683 HydrophobicContact CE-CD2 3.78Å; M433-F683 HydrophobicContact CE-CE1 4.31Å; M433-F683 HydrophobicContact CE-CE2 3.49Å; M433-F683 VanDerWaalsContact CE-CE2 3.49Å; M433-F683 HydrophobicContact CE-CG 4.29Å; M433-F683 HydrophobicContact CE-CZ 3.78Å; M433-F683 HydrophobicContact CG-CD1 3.57Å; M433-F683 HydrophobicContact CG-CD2 4.37Å; M433-F683 HydrophobicContact CG-CE1 3.63Å; M433-F683 HydrophobicContact CG-CE2 4.41Å; M433-F683 HydrophobicContact CG-CG 3.95Å; M433-F683 HydrophobicContact CG-CZ 4.06Å; M433-F683 HydrophobicContact SD-CD1 4.19Å; M433-F683 HydrophobicContact SD-CD2 4.4Å; M433-F683 HydrophobicContact SD-CE1 3.69Å; M433-F683 HydrophobicContact SD-CE2 3.92Å; M433-F683 HydrophobicContact SD-CZ 3.53Å; M433-F683 VanDerWaalsContact SD-CZ 3.53Å; I437-F683 HydrophobicContact CD1-CD1 4.02Å; I437-F683 HydrophobicContact CD1-CE1 3.81Å; I437-F683 HydrophobicContact CG1-CD1 4.3Å; L680-F683 WeakPolarHBondContact O-CB 3.46Å; L680-F683 PolarHBondContact O-N 3.01Å; E681-F683 VanDerWaalsContact C-N 3.35Å; F683-R687 HydrophobicContact CD2-CB 4.27Å; F683-R687 HydrophobicContact CD2-CG 3.71Å; F683-R687 HydrophobicContact CE2-CB 4.26Å; F683-R687 HydrophobicContact CE2-CG 3.62Å; F683-L688 HydrophobicContact CE1-CB 4Å; F683-L688 HydrophobicContact CE1-CD1 4.5Å; F683-L688 HydrophobicContact CZ-CB 3.76Å; F683-L688 HydrophobicContact CZ-CD1 4.01Å; F683-L688 HydrophobicContact CZ-CG 4.48Å; F683-I721 HydrophobicContact CB-CD1 4Å; F683-I721 HydrophobicContact CB-CG1 4.3Å; F683-I721 HydrophobicContact CD2-CD1 3.63Å; F683-I721 HydrophobicContact CD2-CG1 3.91Å; F683-I721 HydrophobicContact CE2-CD1 4.4Å; F683-I721 HydrophobicContact CG-CD1 4.07Å
684	T	98.5	Very high	97.4	Very high	29 Å²	29	34.3 Å²	34.3	18%	0.178	17%	0.173	C	C	.	.			trans	-139.9	161.5	178.6	64.4	0	0	0	0	111.1	E441 A686 R687 L688	E441-T684 WeakPolarHBondContact OE2-CA 3.45Å; T684-A686 PolarHBondContact O-N 2.78Å; T684-A686 PolarHBondContact OG1-N 2.95Å; T684-R687 WeakPolarHBondContact O-CB 3.47Å; T684-R687 PolarHBondContact O-N 2.84Å; T684-R687 VanDerWaalsContact O-N 3.08Å; T684-R687 PolarHBondContact OG1-N 3.37Å; T684-R687 VanDerWaalsContact OG1-N 3.1Å; T684-L688 PolarHBondContact O-N 3.18Å
685	I	98.2	Very high	97.2	Very high	2 Å²	2	34.6 Å²	34.6	1%	0.01	17%	0.169	C	C	.	.	H	α-helix	trans	-59.6	-32.7	172	-165.2	69.9	0	0	0	111.3	L246 F250 I437 E441 L688 M689 F704	L246-I685 HydrophobicContact CD2-CG1 3.77Å; F250-I685 HydrophobicContact CD2-CD1 3.95Å; F250-I685 HydrophobicContact CE2-CD1 4.11Å; I437-I685 HydrophobicContact CD1-CB 4.26Å; I437-I685 HydrophobicContact CD1-CD1 3.97Å; I437-I685 HydrophobicContact CG1-CB 4.47Å; I437-I685 HydrophobicContact CG2-CB 4.01Å; I437-I685 HydrophobicContact CG2-CD1 4.28Å; E441-I685 PolarHBondContact OE2-N 2.91Å; I685-L688 HydrophobicContact CD1-CD2 3.79Å; I685-L688 WeakPolarHBondContact O-CB 3.47Å; I685-L688 PolarHBondContact O-N 2.87Å; I685-M689 WeakPolarHBondContact O-CG 3.36Å; I685-M689 PolarHBondContact O-N 3.09Å; I685-F704 HydrophobicContact CB-CE2 4.44Å; I685-F704 HydrophobicContact CB-CZ 4.33Å; I685-F704 HydrophobicContact CG1-CE1 4.43Å; I685-F704 HydrophobicContact CG1-CZ 4.25Å; I685-F704 HydrophobicContact CG2-CD2 4.12Å; I685-F704 HydrophobicContact CG2-CE1 4.42Å; I685-F704 HydrophobicContact CG2-CE2 3.99Å; I685-F704 HydrophobicContact CG2-CG 4.4Å; I685-F704 HydrophobicContact CG2-CZ 4.14Å
686	A	98.3	Very high	97.1	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-63.3	-42.4	173.8	0	0	0	0	0	112.1	T684 M689 C690 V699	T684-A686 PolarHBondContact O-N 2.78Å; T684-A686 PolarHBondContact OG1-N 2.95Å; A686-M689 PolarHBondContact O-N 3.2Å; A686-C690 PolarHBondContact O-N 2.57Å; A686-C690 PolarHBondContact O-SG 3.18Å; A686-C690 VanDerWaalsContact O-SG 3.38Å; A686-V699 HydrophobicContact CB-CG2 4.19Å
687	R	98.2	Very high	96.8	Very high	6 Å²	6	35.8 Å²	35.8	2%	0.023	18%	0.179	C	C	.	.	H	α-helix	trans	-63	-43.9	173.8	173.8	47.5	61.4	-154.9	2	111.2	F683 T684 M689 C690 N691 C715 I718 P719 H720	F683-R687 HydrophobicContact CD2-CB 4.27Å; F683-R687 HydrophobicContact CD2-CG 3.71Å; F683-R687 HydrophobicContact CE2-CB 4.26Å; F683-R687 HydrophobicContact CE2-CG 3.62Å; T684-R687 WeakPolarHBondContact O-CB 3.47Å; T684-R687 PolarHBondContact O-N 2.84Å; T684-R687 VanDerWaalsContact O-N 3.08Å; T684-R687 PolarHBondContact OG1-N 3.37Å; T684-R687 VanDerWaalsContact OG1-N 3.1Å; R687-M689 VanDerWaalsContact C-N 3.26Å; R687-M689 PolarHBondContact O-N 3.34Å; R687-C690 PolarHBondContact O-N 3.19Å; R687-N691 WeakPolarHBondContact CD-OD1 3.45Å; R687-N691 PolarHBondContact NH1-OD1 3.43Å; R687-N691 WeakPolarHBondContact O-CB 3.23Å; R687-N691 VanDerWaalsContact O-CG 3.32Å; R687-N691 PolarHBondContact O-N 3.11Å; R687-C715 PolarHBondContact NH2-O 3.19Å; R687-I718 HydrophobicContact CB-CG2 3.74Å; R687-I718 VanDerWaalsContact NH2-C 3.31Å; R687-I718 PolarHBondContact NH2-O 3.33Å; R687-P719 PolarHBondContact NE-O 3.27Å; R687-H720 PolarHBondContact NH1-CE1 3.03Å; R687-H720 PolarHBondContact NH1-ND1 3.07Å; R687-H720 PolarHBondContact NH2-CD2 3.29Å; R687-H720 VanDerWaalsContact NH2-CD2 3.28Å; R687-H720 PolarHBondContact NH2-CE1 2.85Å; R687-H720 VanDerWaalsContact NH2-CE1 3.34Å; R687-H720 PolarHBondContact NH2-NE2 2.89Å
688	L	98.4	Very high	96.6	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-54.4	-45.3	175.6	-179.4	67.3	0	0	0	111.3	L398 F399 E402 F683 T684 I685 N691 N692	L398-L688 HydrophobicContact CB-CD2 4.22Å; L398-L688 HydrophobicContact CB-CG 4.31Å; F399-L688 HydrophobicContact CD1-CD1 4.41Å; F399-L688 HydrophobicContact CD1-CD2 4.23Å; F399-L688 HydrophobicContact CD2-CD2 4.44Å; F399-L688 HydrophobicContact CE1-CD1 4.43Å; F399-L688 HydrophobicContact CE1-CD2 3.76Å; F399-L688 HydrophobicContact CE2-CD2 3.99Å; F399-L688 HydrophobicContact CZ-CD2 3.63Å; E402-L688 HydrophobicContact CB-CD1 3.61Å; E402-L688 HydrophobicContact CG-CD1 3.74Å; F683-L688 HydrophobicContact CE1-CB 4Å; F683-L688 HydrophobicContact CE1-CD1 4.5Å; F683-L688 HydrophobicContact CZ-CB 3.76Å; F683-L688 HydrophobicContact CZ-CD1 4.01Å; F683-L688 HydrophobicContact CZ-CG 4.48Å; T684-L688 PolarHBondContact O-N 3.18Å; I685-L688 HydrophobicContact CD1-CD2 3.79Å; I685-L688 WeakPolarHBondContact O-CB 3.47Å; I685-L688 PolarHBondContact O-N 2.87Å; L688-N691 PolarHBondContact O-N 3.42Å; L688-N692 WeakPolarHBondContact O-CB 3.45Å; L688-N692 PolarHBondContact O-N 3.27Å; L688-N692 PolarHBondContact O-ND2 3.36Å
689	M	97.7	Very high	96.5	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.005	17%	0.165	C	C	.	.	H	α-helix	trans	-66.9	-47.2	178.2	-65.6	179.9	81.5	0	0	112.1	L246 L398 L541 L545 I685 A686 R687 N691 N692 M693 L696	L246-M689 HydrophobicContact CD2-CE 4.32Å; L246-M689 HydrophobicContact CD2-SD 3.56Å; L246-M689 VanDerWaalsContact CD2-SD 3.56Å; L398-M689 HydrophobicContact CD1-CG 4.26Å; L541-M689 HydrophobicContact CB-CE 4.3Å; L545-M689 HydrophobicContact CD1-CE 3.47Å; L545-M689 VanDerWaalsContact CD1-CE 3.47Å; L545-M689 HydrophobicContact CD1-SD 4.17Å; L545-M689 HydrophobicContact CD2-CE 3.75Å; L545-M689 HydrophobicContact CD2-SD 3.74Å; L545-M689 HydrophobicContact CG-CE 3.57Å; L545-M689 HydrophobicContact CG-SD 4.24Å; I685-M689 WeakPolarHBondContact O-CG 3.36Å; I685-M689 PolarHBondContact O-N 3.09Å; A686-M689 PolarHBondContact O-N 3.2Å; R687-M689 VanDerWaalsContact C-N 3.26Å; R687-M689 PolarHBondContact O-N 3.34Å; M689-N691 PolarHBondContact O-N 3.46Å; M689-N692 PolarHBondContact O-N 3.06Å; M689-N692 VanDerWaalsContact O-N 3.1Å; M689-M693 HydrophobicContact CB-CG 4.5Å; M689-M693 HydrophobicContact CB-SD 3.95Å; M689-M693 HydrophobicContact CE-CE 4.32Å; M689-M693 HydrophobicContact CE-SD 3.29Å; M689-M693 WeakPolarHBondContact CE-SD 3.41Å; M689-M693 HydrophobicContact CG-SD 4.2Å; M689-M693 WeakPolarHBondContact O-CB 3.49Å; M689-M693 PolarHBondContact O-N 3.23Å; M689-L696 HydrophobicContact CB-CD2 3.86Å
690	C	97.8	Very high	96.4	Very high	20 Å²	20	32.9 Å²	32.9	14%	0.135	16%	0.164	C	C	.	.	H	α-helix	trans	-58.6	-34.2	176.9	-74.2	0	0	0	0	113	A686 R687 V699 C715	A686-C690 PolarHBondContact O-N 2.57Å; A686-C690 PolarHBondContact O-SG 3.18Å; A686-C690 VanDerWaalsContact O-SG 3.38Å; R687-C690 PolarHBondContact O-N 3.19Å; C690-V699 VanDerWaalsContact SG-CG2 3.57Å; C690-C715 HydrophobicContact CB-CB 3.66Å; C690-C715 WeakPolarHBondContact CB-SG 3.39Å; C690-C715 WeakPolarHBondContact SG-CA 3.34Å; C690-C715 WeakPolarHBondContact SG-CB 3.26Å; C690-C715 CovalentContact SG-SG 2.04Å; C690-C715 PolarHBondContact SG-SG 2.92Å
691	N	97.4	Very high	96.3	Very high	39 Å²	39	40 Å²	40	21%	0.209	19%	0.19	C	C	.	.	H	α-helix	trans	-72.5	-30.2	177.5	-74.1	-2.9	0	0	0	113	E402 R405 R687 L688 M689	E402-N691 PolarHBondContact OE1-ND2 2.9Å; E402-N691 WeakPolarHBondContact OE2-CB 3.44Å; E402-N691 PolarHBondContact OE2-ND2 2.86Å; R405-N691 PolarHBondContact NE-ND2 3.02Å; R687-N691 WeakPolarHBondContact CD-OD1 3.45Å; R687-N691 PolarHBondContact NH1-OD1 3.43Å; R687-N691 WeakPolarHBondContact O-CB 3.23Å; R687-N691 VanDerWaalsContact O-CG 3.32Å; R687-N691 PolarHBondContact O-N 3.11Å; L688-N691 PolarHBondContact O-N 3.42Å; M689-N691 PolarHBondContact O-N 3.46Å
692	N	97.3	Very high	96.3	Very high	13 Å²	13	40 Å²	40	7%	0.07	19%	0.192	C	C	.	.	H	α-helix	trans	-124.8	-5.8	-161.3	-64.6	-71.3	0	0	0	115.4	L398 R401 E402 L688 M689	L398-N692 HydrophobicContact CD2-CB 3.72Å; R401-N692 HydrophobicContact CB-CB 4.05Å; R401-N692 WeakPolarHBondContact CB-OD1 3.32Å; R401-N692 PolarHBondContact NH1-O 3.03Å; E402-N692 PolarHBondContact N-OD1 3.34Å; E402-N692 VanDerWaalsContact N-OD1 3.15Å; E402-N692 PolarHBondContact OE2-ND2 3.31Å; L688-N692 WeakPolarHBondContact O-CB 3.45Å; L688-N692 PolarHBondContact O-N 3.27Å; L688-N692 PolarHBondContact O-ND2 3.36Å; M689-N692 PolarHBondContact O-N 3.06Å; M689-N692 VanDerWaalsContact O-N 3.1Å
693	M	95.5	Very high	96.3	Very high	12 Å²	12	36.9 Å²	36.9	6%	0.059	18%	0.179	C	C	.	.	S	Bend	trans	-99.6	127.8	175.2	-70.4	-176.7	56.4	0	0	112.1	L398 L541 R542 M689 L696	L398-M693 HydrophobicContact CD2-CG 3.94Å; L541-M693 HydrophobicContact CB-CE 3.56Å; L541-M693 HydrophobicContact CB-SD 3.68Å; L541-M693 HydrophobicContact CD1-CE 4.36Å; L541-M693 HydrophobicContact CD1-CG 3.91Å; L541-M693 HydrophobicContact CD1-SD 3.8Å; L541-M693 HydrophobicContact CG-SD 4.33Å; R542-M693 HydrophobicContact CG-CE 3.81Å; M689-M693 HydrophobicContact CB-CG 4.5Å; M689-M693 HydrophobicContact CB-SD 3.95Å; M689-M693 HydrophobicContact CE-CE 4.32Å; M689-M693 HydrophobicContact CE-SD 3.29Å; M689-M693 WeakPolarHBondContact CE-SD 3.41Å; M689-M693 HydrophobicContact CG-SD 4.2Å; M689-M693 WeakPolarHBondContact O-CB 3.49Å; M689-M693 PolarHBondContact O-N 3.23Å; M693-L696 HydrophobicContact CB-CB 3.81Å; M693-L696 HydrophobicContact CB-CD2 3.95Å; M693-L696 HydrophobicContact CE-CD1 4.27Å; M693-L696 HydrophobicContact CE-CD2 4.14Å; M693-L696 HydrophobicContact CG-CD2 4.34Å; M693-L696 HydrophobicContact SD-CD2 3.74Å
694	K	91.9	Very high	96.3	Very high	94 Å²	94	36.8 Å²	36.8	41%	0.409	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	137.7	173.3	-58	-178.6	-177.3	-175.7	0	110	N358 E538 R542 L696	N358-K694 PolarHBondContact O-NZ 3.21Å; E538-K694 HydrophobicContact CG-CB 4.25Å; R542-K694 PolarHBondContact NH2-O 3.35Å; K694-L696 VanDerWaalsContact C-N 3.28Å; K694-L696 PolarHBondContact O-N 2.03Å
695	N	91.9	Very high	96.2	Very high	100 Å²	100	36.4 Å²	36.4	54%	0.535	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.1	43.1	176.8	-52.4	-11.4	0	0	0	112.7	D494 R542	D494-N695 HydrophobicContact CB-CB 3.84Å; D494-N695 PolarHBondContact OD2-ND2 2.81Å; D494-N695 VanDerWaalsContact OD2-ND2 3.11Å; R542-N695 PolarHBondContact NH2-O 3.21Å
696	L	93.5	Very high	96.2	Very high	16 Å²	16	37 Å²	37	8%	0.084	18%	0.181	C	C	.	.			trans	-110.4	98.9	168.8	-174.3	72.4	0	0	0	108.2	M689 M693 K694 K698 V699 C715	M689-L696 HydrophobicContact CB-CD2 3.86Å; M693-L696 HydrophobicContact CB-CB 3.81Å; M693-L696 HydrophobicContact CB-CD2 3.95Å; M693-L696 HydrophobicContact CE-CD1 4.27Å; M693-L696 HydrophobicContact CE-CD2 4.14Å; M693-L696 HydrophobicContact CG-CD2 4.34Å; M693-L696 HydrophobicContact SD-CD2 3.74Å; K694-L696 VanDerWaalsContact C-N 3.28Å; K694-L696 PolarHBondContact O-N 2.03Å; L696-K698 WeakPolarHBondContact CD1-O 3.05Å; L696-V699 HydrophobicContact CD1-CG1 4.17Å; L696-V699 HydrophobicContact CD2-CG1 3.48Å; L696-V699 VanDerWaalsContact CD2-CG1 3.48Å; L696-V699 HydrophobicContact CG-CG1 3.8Å; L696-C715 PolarHBondContact O-SG 3.35Å
697	N	91.1	Very high	96	Very high	128 Å²	128	38.5 Å²	38.5	68%	0.684	19%	0.189	S	C	*	.			trans	-97.6	-21.4	-175.8	-64.4	-36.9	0	0	0	113	P714 C715	N697-P714 CarbonylContact O-C 3.47Å; N697-P714 WeakPolarHBondContact O-CA 3.44Å; N697-C715 PolarHBondContact O-N 2.8Å
698	K	94.7	Very high	95.6	Very high	107 Å²	107	42.7 Å²	42.7	47%	0.465	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	144.7	-178.8	-64.3	-172.7	-177.3	-179.9	0	110.4	L696 T712 V713	L696-K698 WeakPolarHBondContact CD1-O 3.05Å; K698-T712 WeakPolarHBondContact CD-OG1 3.49Å; K698-V713 VanDerWaalsContact CA-O 3.26Å; K698-V713 WeakPolarHBondContact CA-O 3.41Å
699	V	96.4	Very high	95.1	Very high	1 Å²	1	48.5 Å²	48.5	1%	0.006	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	155.7	178.9	-69.6	0	0	0	0	109.6	A686 C690 L696 T712 V713 I718	A686-V699 HydrophobicContact CB-CG2 4.19Å; C690-V699 VanDerWaalsContact SG-CG2 3.57Å; L696-V699 HydrophobicContact CD1-CG1 4.17Å; L696-V699 HydrophobicContact CD2-CG1 3.48Å; L696-V699 VanDerWaalsContact CD2-CG1 3.48Å; L696-V699 HydrophobicContact CG-CG1 3.8Å; V699-T712 WeakPolarHBondContact O-CA 3.35Å; V699-V713 PolarHBondContact N-O 3.25Å; V699-V713 PolarHBondContact O-N 3.14Å; V699-I718 HydrophobicContact CG2-CD1 4.12Å; V699-I718 HydrophobicContact CG2-CG1 3.87Å
700	P	96.4	Very high	94.7	Very high	6 Å²	6	53.8 Å²	53.8	4%	0.039	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62	147.3	162.8	29.3	-34.5	0	0	0	109.7	D702 A705	P700-D702 WeakPolarHBondContact CB-O 3.29Å; P700-D702 WeakPolarHBondContact CG-O 3.26Å; P700-A705 HydrophobicContact CB-CB 4.26Å
701	R	96.2	Very high	94.4	Very high	148 Å²	148	58 Å²	58	56%	0.558	29%	0.289	S	S	*	.	S	Bend	trans	-63.7	-44.2	-180	-176.6	178.4	-65.6	-75.7	0.2	111.7	V713	R701-V713 HydrophobicContact CB-CG2 4.32Å
702	D	97	Very high	94.3	Very high	51 Å²	51	57.1 Å²	57.1	27%	0.273	29%	0.285	S	S	.	.	S	Bend	trans	-86.4	112.3	163.6	-177.8	-26.6	0	0	0	107.5	K445 P700 F704 A705	K445-D702 WeakPolarHBondContact CE-OD1 3.25Å; K445-D702 WeakPolarHBondContact CE-OD2 3.48Å; K445-D702 IonicContact NZ-OD1 3.18Å; K445-D702 PolarHBondContact NZ-OD1 3.35Å; K445-D702 IonicContact NZ-OD2 2.68Å; K445-D702 PolarHBondContact NZ-OD2 3.13Å; P700-D702 WeakPolarHBondContact CB-O 3.29Å; P700-D702 WeakPolarHBondContact CG-O 3.26Å; D702-F704 PolarHBondContact O-N 3.07Å; D702-F704 VanDerWaalsContact O-N 3.09Å; D702-F704 PolarHBondContact OD1-N 3.24Å; D702-A705 HydrophobicContact CB-CB 4.16Å; D702-A705 WeakPolarHBondContact O-CB 3.34Å; D702-A705 PolarHBondContact O-N 3.34Å
703	G	97.5	Very high	94.3	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-10.1	-173.2	0	0	0	0	0	114.4	N244 L545	N244-G703 PolarHBondContact ND2-O 3.09Å; L545-G703 WeakPolarHBondContact CD2-O 3.47Å
704	F	98.2	Very high	94.4	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.6	-3.7	170.9	-66	-58.9	0	0	0	113.6	W243 N244 L246 L247 F250 I437 E441 W442 K445 I685 D702	W243-F704 CarbonylContact C-O 3.44Å; W243-F704 VanDerWaalsContact CA-O 3.23Å; W243-F704 WeakPolarHBondContact CA-O 3.34Å; N244-F704 PolarHBondContact N-O 2.92Å; N244-F704 VanDerWaalsContact ND2-C 3.32Å; N244-F704 WeakPolarHBondContact ND2-CA 3.37Å; L246-F704 HydrophobicContact CB-CD1 4.35Å; L246-F704 HydrophobicContact CB-CE1 4.46Å; L246-F704 HydrophobicContact CD2-CE1 4.41Å; L246-F704 HydrophobicContact CG-CD1 4.38Å; L246-F704 HydrophobicContact CG-CE1 4.08Å; L247-F704 HydrophobicContact CB-CD1 3.94Å; L247-F704 HydrophobicContact CB-CE1 4.47Å; L247-F704 HydrophobicContact CD1-CB 4.13Å; L247-F704 HydrophobicContact CD1-CD1 3.81Å; L247-F704 HydrophobicContact CD1-CD2 4.1Å; L247-F704 HydrophobicContact CD1-CE1 4.2Å; L247-F704 HydrophobicContact CD1-CE2 4.46Å; L247-F704 HydrophobicContact CD1-CG 3.76Å; F250-F704 HydrophobicContact CB-CE1 3.86Å; F250-F704 HydrophobicContact CB-CZ 3.96Å; F250-F704 AromaticContact CD1-CZ 3.89Å; F250-F704 HydrophobicContact CD1-CZ 3.89Å; F250-F704 HydrophobicContact CD2-CZ 4.5Å; F250-F704 HydrophobicContact CG-CE1 4.26Å; F250-F704 AromaticContact CG-CZ 3.85Å; F250-F704 HydrophobicContact CG-CZ 3.85Å; I437-F704 HydrophobicContact CG2-CE2 4.05Å; I437-F704 HydrophobicContact CG2-CZ 4.11Å; E441-F704 HydrophobicContact CB-CD2 3.9Å; E441-F704 HydrophobicContact CB-CE2 3.76Å; W442-F704 HydrophobicContact CB-CE2 4.08Å; W442-F704 HydrophobicContact CB-CZ 4.35Å; K445-F704 HydrophobicContact CD-CB 3.74Å; K445-F704 HydrophobicContact CD-CD2 4.2Å; K445-F704 HydrophobicContact CD-CG 4.28Å; I685-F704 HydrophobicContact CB-CE2 4.44Å; I685-F704 HydrophobicContact CB-CZ 4.33Å; I685-F704 HydrophobicContact CG1-CE1 4.43Å; I685-F704 HydrophobicContact CG1-CZ 4.25Å; I685-F704 HydrophobicContact CG2-CD2 4.12Å; I685-F704 HydrophobicContact CG2-CE1 4.42Å; I685-F704 HydrophobicContact CG2-CE2 3.99Å; I685-F704 HydrophobicContact CG2-CG 4.4Å; I685-F704 HydrophobicContact CG2-CZ 4.14Å; D702-F704 PolarHBondContact O-N 3.07Å; D702-F704 VanDerWaalsContact O-N 3.09Å; D702-F704 PolarHBondContact OD1-N 3.24Å
705	A	97.6	Very high	94.6	Very high	21 Å²	21	56.5 Å²	56.5	17%	0.174	29%	0.293	C	S	.	.	B	Isolated β-bridge	trans	-73.6	146.5	172	0	0	0	0	0	111.1	N244 P700 D702 L707	N244-A705 PolarHBondContact ND2-O 3.44Å; P700-A705 HydrophobicContact CB-CB 4.26Å; D702-A705 HydrophobicContact CB-CB 4.16Å; D702-A705 WeakPolarHBondContact O-CB 3.34Å; D702-A705 PolarHBondContact O-N 3.34Å; A705-L707 PolarHBondContact O-N 3.34Å
706	V	96.5	Very high	94.9	Very high	13 Å²	13	56.7 Å²	56.7	8%	0.079	30%	0.302	C	S	.	.			trans	-58.5	124.6	175.1	-179.4	0	0	0	0	109.6	K242 W243 N244 E548 K708	K242-V706 PolarHBondContact O-N 2.95Å; W243-V706 VanDerWaalsContact C-CG2 3.48Å; W243-V706 WeakPolarHBondContact O-CG2 3.46Å; N244-V706 HydrophobicContact CB-CG2 4.42Å; E548-V706 HydrophobicContact CB-CG2 4.48Å; E548-V706 HydrophobicContact CG-CG1 4.35Å; E548-V706 HydrophobicContact CG-CG2 4.02Å; V706-K708 PolarHBondContact O-N 3.06Å
707	L	94.4	Very high	95	Very high	33 Å²	33	58.4 Å²	58.4	17%	0.173	32%	0.315	C	S	.	.			trans	-67.8	108.9	178.8	-172.8	159	0	0	0	109.4	L545 A705 T712	L545-L707 HydrophobicContact CB-CB 4.02Å; L545-L707 HydrophobicContact CB-CD1 3.97Å; L545-L707 HydrophobicContact CD1-CD1 4Å; L545-L707 WeakPolarHBondContact O-CB 3.07Å; L545-L707 PolarHBondContact O-N 2.76Å; A705-L707 PolarHBondContact O-N 3.34Å; L707-T712 HydrophobicContact CD1-CG2 4.4Å; L707-T712 HydrophobicContact CD2-CG2 3.98Å; L707-T712 HydrophobicContact CG-CG2 3.76Å
708	K	91.2	Very high	95.3	Very high	94 Å²	94	52.5 Å²	52.5	41%	0.409	28%	0.283	S	S	.	.			trans	-114.1	125.6	166.9	-61.6	170.9	-169.9	164.3	0	107.9	V706 S710 E711 T712	V706-K708 PolarHBondContact O-N 3.06Å; K708-S710 PolarHBondContact O-N 2.83Å; K708-E711 HydrophobicContact CB-CB 4.38Å; K708-E711 HydrophobicContact CB-CG 4.42Å; K708-E711 VanDerWaalsContact CD-OE1 3.32Å; K708-E711 WeakPolarHBondContact CD-OE1 3.06Å; K708-E711 IonicContact NZ-OE1 3.39Å; K708-E711 PolarHBondContact NZ-OE1 3.33Å; K708-E711 IonicContact NZ-OE2 2.8Å; K708-E711 PolarHBondContact O-N 3.37Å; K708-T712 WeakPolarHBondContact O-CG2 3.28Å; K708-T712 PolarHBondContact O-N 3.17Å
709	E	86.3	Confident	95.4	Very high	122 Å²	122	50.4 Å²	50.4	57%	0.57	28%	0.281	S	S	*	.	G	3₁₀ helix	trans	-50.1	-37.8	-176	-74.8	-62.4	145.3	0	0	113.3	E711 T712	E709-E711 PolarHBondContact O-N 3.49Å; E709-T712 PolarHBondContact O-N 3.37Å; E709-T712 PolarHBondContact O-OG1 3.21Å
710	S	90.6	Very high	95.4	Very high	111 Å²	111	55.5 Å²	55.5	78%	0.776	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-65.9	-19.7	177.6	55	0	0	0	0	115.1	K708	K708-S710 PolarHBondContact O-N 2.83Å
711	E	91.8	Very high	95.4	Very high	108 Å²	108	56.2 Å²	56.2	51%	0.505	31%	0.307	S	S	.	.	G	3₁₀ helix	trans	-112.9	2.2	-175.6	-62.9	174	-159.7	0	0	112.1	K708 E709	K708-E711 HydrophobicContact CB-CB 4.38Å; K708-E711 HydrophobicContact CB-CG 4.42Å; K708-E711 VanDerWaalsContact CD-OE1 3.32Å; K708-E711 WeakPolarHBondContact CD-OE1 3.06Å; K708-E711 IonicContact NZ-OE1 3.39Å; K708-E711 PolarHBondContact NZ-OE1 3.33Å; K708-E711 IonicContact NZ-OE2 2.8Å; K708-E711 PolarHBondContact O-N 3.37Å; E709-E711 PolarHBondContact O-N 3.49Å
712	T	95	Very high	95.4	Very high	21 Å²	21	52.2 Å²	52.2	13%	0.129	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	149.1	178	62.6	0	0	0	0	112.7	K698 V699 L707 K708 E709	K698-T712 WeakPolarHBondContact CD-OG1 3.49Å; V699-T712 WeakPolarHBondContact O-CA 3.35Å; L707-T712 HydrophobicContact CD1-CG2 4.4Å; L707-T712 HydrophobicContact CD2-CG2 3.98Å; L707-T712 HydrophobicContact CG-CG2 3.76Å; K708-T712 WeakPolarHBondContact O-CG2 3.28Å; K708-T712 PolarHBondContact O-N 3.17Å; E709-T712 PolarHBondContact O-N 3.37Å; E709-T712 PolarHBondContact O-OG1 3.21Å
713	V	97	Very high	95.5	Very high	25 Å²	25	50.3 Å²	50.3	15%	0.152	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	151.5	175	-59.6	0	0	0	0	110.5	K698 V699 R701 S717 I718	K698-V713 VanDerWaalsContact CA-O 3.26Å; K698-V713 WeakPolarHBondContact CA-O 3.41Å; V699-V713 PolarHBondContact N-O 3.25Å; V699-V713 PolarHBondContact O-N 3.14Å; R701-V713 HydrophobicContact CB-CG2 4.32Å; V713-S717 WeakPolarHBondContact CB-OG 3.48Å; V713-I718 HydrophobicContact CG2-CD1 3.6Å; V713-I718 HydrophobicContact CG2-CG1 4.42Å
714	P	97.2	Very high	95.4	Very high	65 Å²	65	53 Å²	53	42%	0.422	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.8	143	174.6	-22.7	33.5	0	0	0	111.9	N697 S716 S717	N697-P714 CarbonylContact O-C 3.47Å; N697-P714 WeakPolarHBondContact O-CA 3.44Å; P714-S716 PolarHBondContact O-N 3.15Å; P714-S716 VanDerWaalsContact O-N 3.11Å; P714-S717 WeakPolarHBondContact O-CB 3.32Å; P714-S717 PolarHBondContact O-N 3.34Å; P714-S717 PolarHBondContact O-OG 3.13Å
715	C	97.1	Very high	95.3	Very high	17 Å²	17	57.2 Å²	57.2	12%	0.115	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-58.5	-24.8	176.4	-87.5	0	0	0	0	113.5	R687 C690 L696 N697 S717	R687-C715 PolarHBondContact NH2-O 3.19Å; C690-C715 HydrophobicContact CB-CB 3.66Å; C690-C715 WeakPolarHBondContact CB-SG 3.39Å; C690-C715 WeakPolarHBondContact SG-CA 3.34Å; C690-C715 WeakPolarHBondContact SG-CB 3.26Å; C690-C715 CovalentContact SG-SG 2.04Å; C690-C715 PolarHBondContact SG-SG 2.92Å; L696-C715 PolarHBondContact O-SG 3.35Å; N697-C715 PolarHBondContact O-N 2.8Å; C715-S717 PolarHBondContact O-N 3.01Å
716	S	96.7	Very high	95.2	Very high	104 Å²	104	56.5 Å²	56.5	73%	0.727	32%	0.317	S	S	*	.	G	3₁₀ helix	trans	-68.3	-18.8	173.5	53.4	0	0	0	0	114	P714	P714-S716 PolarHBondContact O-N 3.15Å; P714-S716 VanDerWaalsContact O-N 3.11Å
717	S	97.2	Very high	95	Very high	51 Å²	51	62.4 Å²	62.4	36%	0.357	34%	0.342	S	S	.	.	G	3₁₀ helix	trans	-92.7	-9.6	-179.7	74.6	0	0	0	0	114.2	V713 P714 C715	V713-S717 WeakPolarHBondContact CB-OG 3.48Å; P714-S717 WeakPolarHBondContact O-CB 3.32Å; P714-S717 PolarHBondContact O-N 3.34Å; P714-S717 PolarHBondContact O-OG 3.13Å; C715-S717 PolarHBondContact O-N 3.01Å
718	I	97.6	Very high	94.3	Very high	4 Å²	4	63.6 Å²	63.6	2%	0.021	35%	0.346	C	S	.	.	S	Bend	trans	-75.1	140.9	172.3	-55.8	-59	0	0	0	107.3	R687 V699 V713	R687-I718 HydrophobicContact CB-CG2 3.74Å; R687-I718 VanDerWaalsContact NH2-C 3.31Å; R687-I718 PolarHBondContact NH2-O 3.33Å; V699-I718 HydrophobicContact CG2-CD1 4.12Å; V699-I718 HydrophobicContact CG2-CG1 3.87Å; V713-I718 HydrophobicContact CG2-CD1 3.6Å; V713-I718 HydrophobicContact CG2-CG1 4.42Å
719	P	96.8	Very high	92.6	Very high	64 Å²	64	68 Å²	68	42%	0.416	38%	0.38	S	S	.	.	P	Polyproline II helix	trans	-61.2	144.1	176.4	-27.9	37.5	0	0	0	112.9	K682 R687	K682-P719 HydrophobicContact CB-CB 3.99Å; R687-P719 PolarHBondContact NE-O 3.27Å
720	H	94.9	Very high	92.9	Very high	108 Å²	108	65.3 Å²	65.3	50%	0.5	37%	0.371	S	S	.	.	P	Polyproline II helix	trans	-103	152.1	169.4	-68	-95.5	0	0	0	109.4	R687	R687-H720 PolarHBondContact NH1-CE1 3.03Å; R687-H720 PolarHBondContact NH1-ND1 3.07Å; R687-H720 PolarHBondContact NH2-CD2 3.29Å; R687-H720 VanDerWaalsContact NH2-CD2 3.28Å; R687-H720 PolarHBondContact NH2-CE1 2.85Å; R687-H720 VanDerWaalsContact NH2-CE1 3.34Å; R687-H720 PolarHBondContact NH2-NE2 2.89Å
721	I	96.5	Very high	93	Very high	20 Å²	20	62.8 Å²	62.8	10%	0.103	35%	0.349	C	S	.	.	P	Polyproline II helix	trans	-74.7	124	167.1	-61	-174	0	0	0	108.1	M433 E679 L680 F683 L723 W726	M433-I721 HydrophobicContact CE-CD1 3.36Å; E679-I721 HydrophobicContact CB-CG2 3.84Å; L680-I721 HydrophobicContact CD2-CD1 4.33Å; F683-I721 HydrophobicContact CB-CD1 4Å; F683-I721 HydrophobicContact CB-CG1 4.3Å; F683-I721 HydrophobicContact CD2-CD1 3.63Å; F683-I721 HydrophobicContact CD2-CG1 3.91Å; F683-I721 HydrophobicContact CE2-CD1 4.4Å; F683-I721 HydrophobicContact CG-CD1 4.07Å; I721-L723 HydrophobicContact CG2-CD2 3.89Å; I721-L723 HydrophobicContact CG2-CG 4.38Å; I721-L723 PolarHBondContact O-N 2.81Å; I721-L723 VanDerWaalsContact O-N 3.16Å; I721-W726 HydrophobicContact CG2-CH2 4.39Å; I721-W726 HydrophobicContact CG2-CZ3 4.01Å
722	D	97.5	Very high	93.1	Very high	64 Å²	64	60.3 Å²	60.3	34%	0.342	34%	0.341	S	S	.	.			trans	-75.9	95.5	168.2	-179.8	10.4	0	0	0	110.8	E679 S724 K725	E679-D722 HydrophobicContact CG-CB 4.16Å; E679-D722 PolarHBondContact OE2-N 2.63Å; D722-S724 PolarHBondContact O-N 3.43Å; D722-S724 VanDerWaalsContact O-N 3.13Å; D722-S724 WeakPolarHBondContact OD1-CB 3.46Å; D722-S724 PolarHBondContact OD1-N 3.37Å; D722-S724 PolarHBondContact OD1-OG 2.88Å; D722-S724 PolarHBondContact OD2-OG 3.07Å; D722-K725 WeakPolarHBondContact O-CG 3.32Å; D722-K725 PolarHBondContact O-N 3.08Å; D722-K725 WeakPolarHBondContact OD2-CE 3.38Å; D722-K725 IonicContact OD2-NZ 3.64Å
723	L	97.3	Very high	93	Very high	12 Å²	12	62.6 Å²	62.6	6%	0.063	35%	0.353	C	S	.	.	G	3₁₀ helix	trans	-68	-8.1	179	-66.6	174	0	0	0	113.6	L406 Q409 I413 I429 I721 K725 W726	L406-L723 HydrophobicContact CD2-CD1 3.93Å; L406-L723 HydrophobicContact CD2-CD2 3.91Å; Q409-L723 HydrophobicContact CB-CD1 3.53Å; Q409-L723 HydrophobicContact CG-CD1 4.17Å; I413-L723 HydrophobicContact CD1-CB 3.55Å; I413-L723 WeakPolarHBondContact CD1-O 3.23Å; I429-L723 HydrophobicContact CD1-CD2 4.32Å; I721-L723 HydrophobicContact CG2-CD2 3.89Å; I721-L723 HydrophobicContact CG2-CG 4.38Å; I721-L723 PolarHBondContact O-N 2.81Å; I721-L723 VanDerWaalsContact O-N 3.16Å; L723-K725 PolarHBondContact O-N 3.2Å; L723-K725 VanDerWaalsContact O-N 3.15Å; L723-W726 HydrophobicContact CD2-CE3 4.27Å; L723-W726 WeakPolarHBondContact O-CB 3.26Å; L723-W726 PolarHBondContact O-N 3.17Å
724	S	96.2	Very high	92.7	Very high	57 Å²	57	65 Å²	65	40%	0.399	37%	0.366	S	S	.	.	G	3₁₀ helix	trans	-60.8	-22.4	173.8	78.4	0	0	0	0	112.4	D722 W726 K727	D722-S724 PolarHBondContact O-N 3.43Å; D722-S724 VanDerWaalsContact O-N 3.13Å; D722-S724 WeakPolarHBondContact OD1-CB 3.46Å; D722-S724 PolarHBondContact OD1-N 3.37Å; D722-S724 PolarHBondContact OD1-OG 2.88Å; D722-S724 PolarHBondContact OD2-OG 3.07Å; S724-W726 PolarHBondContact O-N 3.09Å; S724-K727 WeakPolarHBondContact O-CB 3.38Å; S724-K727 PolarHBondContact O-N 3.01Å
725	K	96	Very high	92.4	Very high	87 Å²	87	65 Å²	65	38%	0.378	36%	0.362	S	S	.	.	G	3₁₀ helix	trans	-69.9	-8.4	173.2	-48.9	-51.2	179.4	-174.2	0	114	E675 Q676 E679 D722 L723	E675-K725 HydrophobicContact CB-CB 4.41Å; E675-K725 HydrophobicContact CB-CD 4.16Å; E675-K725 HydrophobicContact CB-CG 4.27Å; Q676-K725 HydrophobicContact CG-CB 4.17Å; Q676-K725 WeakPolarHBondContact CG-O 3.44Å; Q676-K725 PolarHBondContact NE2-O 3.25Å; E679-K725 HydrophobicContact CG-CG 3.78Å; D722-K725 WeakPolarHBondContact O-CG 3.32Å; D722-K725 PolarHBondContact O-N 3.08Å; D722-K725 WeakPolarHBondContact OD2-CE 3.38Å; D722-K725 IonicContact OD2-NZ 3.64Å; L723-K725 PolarHBondContact O-N 3.2Å; L723-K725 VanDerWaalsContact O-N 3.15Å
726	W	95.3	Very high	92.1	Very high	6 Å²	6	68.4 Å²	68.4	2%	0.023	38%	0.38	C	S	.	.	G	3₁₀ helix	trans	-98.8	5.4	170.2	-81.4	-103.1	0	0	0	113	L410 N414 I429 F672 Q676 E679 L680 I721 L723 S724 H728	L410-W726 HydrophobicContact CD2-CB 3.64Å; L410-W726 HydrophobicContact CD2-CG 4.16Å; N414-W726 PolarHBondContact ND2-O 3.28Å; I429-W726 HydrophobicContact CD1-CD2 4.24Å; I429-W726 HydrophobicContact CD1-CG 4.32Å; I429-W726 HydrophobicContact CD1-CZ2 4.29Å; I429-W726 HydrophobicContact CG1-CZ2 4.06Å; F672-W726 AromaticContact CD1-CZ2 3.89Å; F672-W726 HydrophobicContact CD1-CZ2 3.89Å; F672-W726 AromaticContact CE1-CZ2 3.91Å; F672-W726 HydrophobicContact CE1-CZ2 3.91Å; Q676-W726 HydrophobicContact CB-CH2 3.6Å; Q676-W726 HydrophobicContact CB-CZ2 3.66Å; Q676-W726 HydrophobicContact CB-CZ3 4.09Å; Q676-W726 HydrophobicContact CG-CD2 3.89Å; Q676-W726 HydrophobicContact CG-CE3 3.96Å; Q676-W726 HydrophobicContact CG-CH2 3.86Å; Q676-W726 HydrophobicContact CG-CZ2 3.8Å; Q676-W726 HydrophobicContact CG-CZ3 3.94Å; Q676-W726 WeakPolarHBondContact O-CH2 3.35Å; E679-W726 HydrophobicContact CB-CH2 4.42Å; E679-W726 HydrophobicContact CB-CZ3 4.13Å; L680-W726 HydrophobicContact CD1-CH2 4.41Å; L680-W726 HydrophobicContact CD1-CZ2 4.24Å; L680-W726 HydrophobicContact CD2-CH2 4.42Å; L680-W726 HydrophobicContact CD2-CZ2 4.48Å; L680-W726 HydrophobicContact CG-CH2 4Å; L680-W726 HydrophobicContact CG-CZ2 4.23Å; I721-W726 HydrophobicContact CG2-CH2 4.39Å; I721-W726 HydrophobicContact CG2-CZ3 4.01Å; L723-W726 HydrophobicContact CD2-CE3 4.27Å; L723-W726 WeakPolarHBondContact O-CB 3.26Å; L723-W726 PolarHBondContact O-N 3.17Å; S724-W726 PolarHBondContact O-N 3.09Å; W726-H728 PolarHBondContact O-N 2.8Å
727	K	93.2	Very high	91.7	Very high	138 Å²	138	65.7 Å²	65.7	60%	0.6	35%	0.353	S	S	*	.			trans	-67.3	126.1	174.3	-171	177.7	180	-178.2	0	110	I413 S724	I413-K727 HydrophobicContact CG2-CB 3.58Å; I413-K727 HydrophobicContact CG2-CG 3.9Å; S724-K727 WeakPolarHBondContact O-CB 3.38Å; S724-K727 PolarHBondContact O-N 3.01Å
728	H	78.5	Confident	91.3	Very high	57 Å²	57	66.9 Å²	66.9	26%	0.264	35%	0.353	S	S	.	.			trans	-94.4	128.6	170.7	-161.2	-73.3	0	0	0	109.1	A126 N414 W417 R421 W726	A126-H728 VanDerWaalsContact CB-CE1 3.44Å; A126-H728 WeakPolarHBondContact CB-CE1 3.49Å; A126-H728 WeakPolarHBondContact CB-NE2 3.44Å; N414-H728 PolarHBondContact OD1-N 2.6Å; W417-H728 HydrophobicContact CZ2-CB 4.18Å; R421-H728 PolarHBondContact NH2-CD2 2.77Å; R421-H728 VanDerWaalsContact NH2-CD2 3.34Å; W726-H728 PolarHBondContact O-N 2.8Å
729	V	55.3	Low	90.7	Very high	186 Å²	186	72.6 Å²	72.6	100%	1.127	38%	0.383	S	S	*	.			trans	-81.4	0	172.5	-176	0	0	0	0	110.2

Retrieved 729 of 729 residues in 394.7 ms (Link to these results)

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