G4VTB2_SCHMA Loading...

E3 ubiquitin-protein ligase

AlphaFold DB , UniProt , Accession G4VTB2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 766 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	27.9	Very low	33.3	Very low	241 Å²	241	122.1 Å²	122.1	100%	1.187	69%	0.689	S	S	*	*				0	138.5	0	-83.4	-175.6	-170.2	0	0	106.6
2	L	30.3	Very low	35.3	Very low	183 Å²	183	125 Å²	125	96%	0.958	68%	0.681	S	S	*	*			trans	90.4	103.9	-160.2	-59.5	163.7	0	0	0	112.5
3	T	30.4	Very low	38	Very low	136 Å²	136	124.8 Å²	124.8	83%	0.834	68%	0.678	S	S	*	*	P	Polyproline II helix	trans	-81.8	140.1	-169	33.2	0	0	0	0	112.5	C5	T3-C5 PolarHBondContact O-N 3.47Å
4	A	26.9	Very low	40.7	Very low	108 Å²	108	117.9 Å²	117.9	89%	0.893	64%	0.643	S	S	*	*	P	Polyproline II helix	trans	-50.5	122.8	165.8	0	0	0	0	0	110.9
5	C	26.9	Very low	43.7	Very low	94 Å²	94	117.6 Å²	117.6	64%	0.635	64%	0.636	S	S	*	*	P	Polyproline II helix	trans	-99.4	138.3	171.6	-146.8	0	0	0	0	109.4	T3	T3-C5 PolarHBondContact O-N 3.47Å
6	D	26.7	Very low	46.7	Very low	102 Å²	102	110.3 Å²	110.3	55%	0.545	60%	0.596	S	S	.	*			trans	-94.7	110.4	-154	-162.2	-16.7	0	0	0	110.1	S8	D6-S8 PolarHBondContact O-N 3.02Å; D6-S8 VanDerWaalsContact OD1-CB 3.25Å; D6-S8 WeakPolarHBondContact OD1-CB 3.5Å; D6-S8 PolarHBondContact OD1-N 2.77Å; D6-S8 PolarHBondContact OD1-OG 3.3Å; D6-S8 PolarHBondContact OD2-OG 2.92Å
7	T	35.2	Very low	49.4	Very low	134 Å²	134	104.9 Å²	104.9	82%	0.822	57%	0.568	S	S	*	*	G	3₁₀ helix	trans	-64.2	-0.7	176.5	30.9	0	0	0	0	113.8	L9 S10	T7-L9 PolarHBondContact O-N 3.04Å; T7-S10 PolarHBondContact O-OG 2.9Å
8	S	37.8	Very low	52	Low	54 Å²	54	99.2 Å²	99.2	38%	0.378	54%	0.537	S	S	.	.	G	3₁₀ helix	trans	-75.6	-14.2	179.8	70.6	0	0	0	0	115.4	D6 S10	D6-S8 PolarHBondContact O-N 3.02Å; D6-S8 VanDerWaalsContact OD1-CB 3.25Å; D6-S8 WeakPolarHBondContact OD1-CB 3.5Å; D6-S8 PolarHBondContact OD1-N 2.77Å; D6-S8 PolarHBondContact OD1-OG 3.3Å; D6-S8 PolarHBondContact OD2-OG 2.92Å; S8-S10 PolarHBondContact O-N 3.38Å
9	L	37.8	Very low	54.4	Low	32 Å²	32	94.9 Å²	94.9	17%	0.168	52%	0.515	C	S	.	.	G	3₁₀ helix	trans	-71.9	-27.2	-177.7	-96.9	120.5	0	0	0	114.2	T7 R11 N144	T7-L9 PolarHBondContact O-N 3.04Å; L9-R11 PolarHBondContact O-N 3.26Å; L9-N144 HydrophobicContact CD1-CB 4.23Å
10	S	39.3	Very low	56.5	Low	56 Å²	56	90.3 Å²	90.3	39%	0.392	49%	0.489	S	S	.	.	G	3₁₀ helix	trans	-70.3	-15.2	-176.8	68.3	0	0	0	0	114.4	T7 S8	T7-S10 PolarHBondContact O-OG 2.9Å; S8-S10 PolarHBondContact O-N 3.38Å
11	R	46.6	Very low	58.3	Low	203 Å²	203	89.2 Å²	89.2	77%	0.766	48%	0.48	S	S	*	.	G	3₁₀ helix	trans	-113	6.9	-176	-65.8	-174.9	-176.2	-176.6	1	114.6	L9 L13	L9-R11 PolarHBondContact O-N 3.26Å; R11-L13 PolarHBondContact O-N 2.76Å
12	R	57.2	Low	61.6	Low	157 Å²	157	79.2 Å²	79.2	59%	0.592	43%	0.433	S	S	*	.			trans	-71.5	99.2	178.8	-84.3	-172.8	179.8	-179.5	2.6	111.2	S14	R12-S14 PolarHBondContact O-N 3.29Å
13	L	70.4	Confident	64.7	Low	122 Å²	122	70.5 Å²	70.5	64%	0.639	39%	0.388	S	S	*	.			trans	-63.3	126.3	166.5	-65.4	178.8	0	0	0	109.7	R11 I71	R11-L13 PolarHBondContact O-N 2.76Å; L13-I71 HydrophobicContact CB-CG2 3.6Å; L13-I71 HydrophobicContact CD1-CG2 4.09Å; L13-I71 HydrophobicContact CD2-CG2 4.02Å; L13-I71 HydrophobicContact CG-CG2 4.1Å
14	S	76.4	Confident	67.6	Low	28 Å²	28	66.3 Å²	66.3	20%	0.196	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	148.9	-177.6	-60.4	0	0	0	0	110.4	R12 A72 L138	R12-S14 PolarHBondContact O-N 3.29Å; S14-A72 PolarHBondContact N-O 2.84Å; S14-A72 PolarHBondContact O-N 2.86Å; S14-L138 VanDerWaalsContact CB-CD1 3.43Å
15	Q	85.6	Confident	70.6	Confident	114 Å²	114	61.6 Å²	61.6	53%	0.533	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	129.4	176.2	-170	176.7	-4	0	0	109.7	S69 V70 L138	Q15-S69 WeakPolarHBondContact CG-OG 3.39Å; Q15-S69 PolarHBondContact NE2-OG 2.95Å; Q15-V70 WeakPolarHBondContact CA-O 3.31Å; Q15-L138 WeakPolarHBondContact O-CD1 3.47Å
16	L	91.2	Very high	73.1	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	133.2	175.3	172	64.9	0	0	0	108.5	I18 S69 V70 A72 I78 L101 L112 L135 L138	L16-I18 HydrophobicContact CD2-CD1 3.94Å; L16-I18 HydrophobicContact CD2-CG1 3.9Å; L16-I18 HydrophobicContact CG-CD1 4.37Å; L16-I18 HydrophobicContact CG-CG1 3.86Å; L16-S69 WeakPolarHBondContact O-CA 3.31Å; L16-V70 HydrophobicContact CB-CG2 4.03Å; L16-V70 HydrophobicContact CD2-CG2 4.38Å; L16-V70 HydrophobicContact CG-CG2 4.36Å; L16-V70 PolarHBondContact N-O 2.85Å; L16-V70 WeakPolarHBondContact O-CG2 3.42Å; L16-V70 PolarHBondContact O-N 2.77Å; L16-A72 HydrophobicContact CB-CB 4.46Å; L16-A72 HydrophobicContact CD2-CB 4.37Å; L16-I78 HydrophobicContact CD2-CD1 3.65Å; L16-L101 HydrophobicContact CD2-CD1 4.2Å; L16-L101 HydrophobicContact CD2-CD2 4.14Å; L16-L112 HydrophobicContact CD1-CD1 4.39Å; L16-L135 HydrophobicContact CD1-CB 4.1Å; L16-L135 HydrophobicContact CD1-CD2 4.44Å; L16-L135 HydrophobicContact CD2-CD2 4.39Å; L16-L138 HydrophobicContact CB-CD1 4.32Å; L16-L138 HydrophobicContact CD1-CB 3.82Å; L16-L138 HydrophobicContact CD1-CD2 4.21Å
17	V	93.5	Very high	75	Confident	20 Å²	20	58.3 Å²	58.3	12%	0.121	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	125.1	170.6	176.5	0	0	0	0	109	I68 D136 K137	V17-I68 WeakPolarHBondContact CA-O 3.41Å; V17-D136 HydrophobicContact CB-CB 4.35Å; V17-D136 PolarHBondContact N-O 2.84Å; V17-D136 PolarHBondContact O-N 3.37Å; V17-K137 HydrophobicContact CG2-CB 4.24Å; V17-K137 HydrophobicContact CG2-CD 3.75Å; V17-K137 HydrophobicContact CG2-CG 4.09Å
18	I	95.6	Very high	76.3	Confident	1 Å²	1	55 Å²	55	1%	0.005	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	122	179.1	-55.7	175.8	0	0	0	107.9	L16 L43 S67 I68 V70 I78 V133 M134 L135	L16-I18 HydrophobicContact CD2-CD1 3.94Å; L16-I18 HydrophobicContact CD2-CG1 3.9Å; L16-I18 HydrophobicContact CG-CD1 4.37Å; L16-I18 HydrophobicContact CG-CG1 3.86Å; I18-L43 HydrophobicContact CB-CD2 4.13Å; I18-L43 HydrophobicContact CD1-CD1 4.44Å; I18-L43 HydrophobicContact CD1-CD2 3.98Å; I18-L43 HydrophobicContact CG2-CD1 4.21Å; I18-L43 HydrophobicContact CG2-CD2 4.08Å; I18-S67 WeakPolarHBondContact O-CA 3.35Å; I18-I68 HydrophobicContact CB-CG2 4.43Å; I18-I68 PolarHBondContact N-O 2.87Å; I18-I68 PolarHBondContact O-N 3.39Å; I18-V70 HydrophobicContact CD1-CG1 4.44Å; I18-V70 HydrophobicContact CD1-CG2 3.58Å; I18-V70 HydrophobicContact CG1-CG2 4.11Å; I18-I78 HydrophobicContact CD1-CD1 3.83Å; I18-I78 HydrophobicContact CD1-CG1 4.29Å; I18-I78 HydrophobicContact CD1-CG2 3.95Å; I18-V133 HydrophobicContact CG2-CG1 3.83Å; I18-M134 WeakPolarHBondContact CA-O 3.3Å; I18-L135 HydrophobicContact CB-CD2 4.47Å; I18-L135 HydrophobicContact CG1-CD2 3.92Å; I18-L135 HydrophobicContact CG2-CD2 4.24Å
19	T	97	Very high	77.2	Confident	19 Å²	19	53 Å²	53	12%	0.117	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	115.4	171.8	-53.3	0	0	0	0	110.1	K21 E66 S67 V133 M134	T19-K21 HydrophobicContact CG2-CG 4Å; T19-K21 PolarHBondContact O-N 2.81Å; T19-E66 CarbonylContact C-O 3.59Å; T19-E66 VanDerWaalsContact CA-O 3.29Å; T19-E66 WeakPolarHBondContact CA-O 3.33Å; T19-S67 WeakPolarHBondContact CB-OG 3.43Å; T19-S67 WeakPolarHBondContact CG2-OG 3.4Å; T19-S67 PolarHBondContact OG1-OG 2.85Å; T19-V133 CarbonylContact O-C 3.45Å; T19-V133 WeakPolarHBondContact O-CA 3.41Å; T19-V133 WeakPolarHBondContact O-CG1 3.16Å; T19-M134 PolarHBondContact N-O 3.19Å; T19-M134 PolarHBondContact O-N 2.79Å
20	I	96.4	Very high	78.1	Confident	1 Å²	1	56.3 Å²	56.3	1%	0.005	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	107.8	170.8	-53.4	176.8	0	0	0	107.6	A41 L43 T53 W64 N65 E66 V131 V133	I20-A41 HydrophobicContact CD1-CB 4.35Å; I20-A41 HydrophobicContact CG2-CB 4.39Å; I20-L43 HydrophobicContact CD1-CB 4.16Å; I20-L43 HydrophobicContact CD1-CD1 4.34Å; I20-T53 HydrophobicContact CB-CG2 4.38Å; I20-T53 HydrophobicContact CD1-CG2 3.99Å; I20-W64 HydrophobicContact CG2-CE3 3.71Å; I20-W64 HydrophobicContact CG2-CZ3 4.06Å; I20-N65 WeakPolarHBondContact O-CA 3.45Å; I20-N65 PolarHBondContact O-N 3.26Å; I20-N65 VanDerWaalsContact O-N 3.08Å; I20-E66 PolarHBondContact N-O 2.98Å; I20-E66 PolarHBondContact O-N 2.97Å; I20-V131 HydrophobicContact CG2-CG2 4.35Å; I20-V133 HydrophobicContact CG1-CG1 4.33Å
21	K	95.6	Very high	78.4	Confident	68 Å²	68	58.8 Å²	58.8	30%	0.296	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	-67.8	-173.2	-73.7	-168.4	140.3	-170.5	0	112.6	T19 T63 W64 N65 F132 M134	T19-K21 HydrophobicContact CG2-CG 4Å; T19-K21 PolarHBondContact O-N 2.81Å; K21-T63 CarbonylContact O-C 3.49Å; K21-W64 PolarHBondContact O-N 3.02Å; K21-N65 PolarHBondContact O-N 2.81Å; K21-F132 HydrophobicContact CB-CB 4.26Å; K21-F132 WeakPolarHBondContact CB-O 3.4Å; K21-F132 PolarHBondContact N-O 3.18Å; K21-M134 HydrophobicContact CD-CE 4.44Å
22	C	96.3	Very high	78.5	Confident	31 Å²	31	54.9 Å²	54.9	21%	0.209	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157	162.7	-175.3	57.5	0	0	0	0	110.7	P62 T63 F132	C22-P62 CarbonylContact C-O 3.58Å; C22-P62 WeakPolarHBondContact CA-O 3.39Å; C22-P62 WeakPolarHBondContact CB-O 3.42Å; C22-T63 HydrophobicContact CB-CG2 4.43Å; C22-F132 PolarHBondContact O-N 3.32Å
23	A	95.1	Very high	78.2	Confident	1 Å²	1	52.1 Å²	52.1	1%	0.008	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	153.7	168.5	0	0	0	0	0	110.4	F25 N61 P62 W64 L121 S130 V131	A23-F25 HydrophobicContact CB-CD2 4.37Å; A23-F25 HydrophobicContact CB-CE2 3.81Å; A23-N61 CarbonylContact O-C 3.47Å; A23-N61 VanDerWaalsContact O-CA 3.25Å; A23-N61 WeakPolarHBondContact O-CA 3.38Å; A23-P62 HydrophobicContact CB-CG 4.01Å; A23-P62 PolarHBondContact N-O 2.81Å; A23-P62 WeakPolarHBondContact O-CD 3.22Å; A23-W64 HydrophobicContact CB-CH2 4Å; A23-W64 HydrophobicContact CB-CZ3 3.88Å; A23-L121 HydrophobicContact CB-CD1 4.17Å; A23-S130 CarbonylContact C-O 3.59Å; A23-S130 VanDerWaalsContact CA-O 3.31Å; A23-S130 WeakPolarHBondContact CA-O 3.34Å; A23-V131 HydrophobicContact CB-CB 4.38Å; A23-V131 HydrophobicContact CB-CG2 4.41Å
24	T	91.8	Very high	77.4	Confident	47 Å²	47	50.3 Å²	50.3	29%	0.288	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	116.9	176.3	54.4	0	0	0	0	108.8	N61 G129 S130 F132	T24-N61 WeakPolarHBondContact CA-OD1 3.45Å; T24-G129 CarbonylContact O-C 3.48Å; T24-G129 WeakPolarHBondContact O-CA 3.46Å; T24-S130 PolarHBondContact N-O 3.26Å; T24-S130 PolarHBondContact O-N 3.11Å; T24-S130 PolarHBondContact OG1-O 2.9Å; T24-S130 PolarHBondContact OG1-OG 3.1Å; T24-F132 HydrophobicContact CG2-CE2 4.39Å
25	F	89.7	Confident	76.7	Confident	9 Å²	9	59.1 Å²	59.1	4%	0.039	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	144.5	-179.1	-74	-91.2	0	0	0	112.2	A23 C29 L39 W60 V82 I94 A95 L121 K128	A23-F25 HydrophobicContact CB-CD2 4.37Å; A23-F25 HydrophobicContact CB-CE2 3.81Å; F25-C29 HydrophobicContact CB-CB 4.11Å; F25-C29 HydrophobicContact CD1-CB 4.42Å; F25-L39 HydrophobicContact CD2-CD1 4.24Å; F25-L39 HydrophobicContact CE2-CD1 4.07Å; F25-W60 HydrophobicContact CB-CE3 4.34Å; F25-W60 HydrophobicContact CD2-CE3 4.47Å; F25-W60 WeakPolarHBondContact CD2-O 3.3Å; F25-W60 HydrophobicContact CG-CE3 4.32Å; F25-W60 PolarHBondContact N-O 3.48Å; F25-V82 HydrophobicContact CE2-CG1 3.98Å; F25-V82 HydrophobicContact CZ-CB 4.01Å; F25-V82 HydrophobicContact CZ-CG1 3.69Å; F25-V82 HydrophobicContact CZ-CG2 4.37Å; F25-I94 HydrophobicContact CD1-CG2 3.98Å; F25-I94 HydrophobicContact CE1-CB 4.37Å; F25-I94 HydrophobicContact CE1-CG2 3.4Å; F25-I94 HydrophobicContact CZ-CG2 3.96Å; F25-A95 HydrophobicContact CE1-CB 4.1Å; F25-L121 HydrophobicContact CE1-CD1 3.97Å; F25-L121 HydrophobicContact CE2-CD1 4.21Å; F25-L121 HydrophobicContact CZ-CD1 3.66Å; F25-K128 CarbonylContact C-O 3.42Å; F25-K128 VanDerWaalsContact CA-O 3.32Å; F25-K128 WeakPolarHBondContact CA-O 3.43Å; F25-K128 HydrophobicContact CD1-CB 4.04Å; F25-K128 VanDerWaalsContact CD1-O 3.29Å; F25-K128 WeakPolarHBondContact CD1-O 3.44Å; F25-K128 HydrophobicContact CE1-CB 4.13Å
26	S	80.2	Confident	76	Confident	31 Å²	31	55.4 Å²	55.4	22%	0.217	31%	0.311	C	S	.	.			trans	-66.3	162.6	177.8	63.7	0	0	0	0	111.7	S28 C29 K128	S26-S28 PolarHBondContact O-N 3.25Å; S26-S28 PolarHBondContact OG-OG 3.01Å; S26-C29 WeakPolarHBondContact O-CB 3.38Å; S26-C29 PolarHBondContact O-N 2.9Å; S26-C29 VanDerWaalsContact O-N 3.16Å; S26-K128 PolarHBondContact N-O 2.95Å; S26-K128 PolarHBondContact OG-O 2.98Å
27	S	67.2	Low	75.5	Confident	97 Å²	97	55.5 Å²	55.5	68%	0.678	31%	0.313	S	S	*	.	G	3₁₀ helix	trans	-60.1	-28.1	177.2	44	0	0	0	0	113.5	C29 K30	S27-C29 PolarHBondContact O-N 2.64Å; S27-K30 WeakPolarHBondContact O-CB 3.46Å; S27-K30 PolarHBondContact O-N 2.76Å
28	S	62	Low	75.4	Confident	65 Å²	65	56 Å²	56	46%	0.455	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-63.4	-27.4	177	56.3	0	0	0	0	113	S26 K30	S26-S28 PolarHBondContact O-N 3.25Å; S26-S28 PolarHBondContact OG-OG 3.01Å; S28-K30 VanDerWaalsContact C-N 3.31Å; S28-K30 PolarHBondContact O-N 2.88Å
29	C	56.6	Low	75.3	Confident	10 Å²	10	56 Å²	56	7%	0.068	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-75	-21.2	175.3	-57.1	0	0	0	0	112.8	F25 S26 S27 S31 W60 K128	F25-C29 HydrophobicContact CB-CB 4.11Å; F25-C29 HydrophobicContact CD1-CB 4.42Å; S26-C29 WeakPolarHBondContact O-CB 3.38Å; S26-C29 PolarHBondContact O-N 2.9Å; S26-C29 VanDerWaalsContact O-N 3.16Å; S27-C29 PolarHBondContact O-N 2.64Å; C29-S31 VanDerWaalsContact C-N 3.29Å; C29-S31 PolarHBondContact O-N 3.3Å; C29-W60 HydrophobicContact CB-CZ3 4.45Å; C29-W60 WeakPolarHBondContact O-CZ2 3.38Å; C29-K128 VanDerWaalsContact SG-CD 3.51Å; C29-K128 PolarHBondContact SG-O 2.87Å; C29-K128 VanDerWaalsContact SG-O 3.41Å
30	K	55.2	Low	75.3	Confident	102 Å²	102	55.1 Å²	55.1	44%	0.443	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-80.3	-10.4	-175.8	-56.7	-179.9	-175.1	173.8	0	113.3	S27 S28 W60	S27-K30 WeakPolarHBondContact O-CB 3.46Å; S27-K30 PolarHBondContact O-N 2.76Å; S28-K30 VanDerWaalsContact C-N 3.31Å; S28-K30 PolarHBondContact O-N 2.88Å; K30-W60 HydrophobicContact CG-CG 4.23Å
31	S	46.2	Very low	75.4	Confident	108 Å²	108	55.1 Å²	55.1	76%	0.755	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.7	-20.5	-174.5	-170.5	0	0	0	0	114.3	C29	C29-S31 VanDerWaalsContact C-N 3.29Å; C29-S31 PolarHBondContact O-N 3.3Å
32	L	50.2	Low	75.5	Confident	122 Å²	122	53.1 Å²	53.1	64%	0.639	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.1	-20.8	-168.9	-88.9	144	0	0	0	114
33	F	49.1	Very low	75.5	Confident	99 Å²	99	51.6 Å²	51.6	43%	0.434	29%	0.292	S	S	.	.	S	Bend	trans	-151.4	98.7	-176.7	-60.4	-78.8	0	0	0	111.8	W60	F33-W60 HydrophobicContact CB-CZ2 4.42Å; F33-W60 WeakPolarHBondContact O-CZ2 3.12Å
34	S	53.8	Low	75.5	Confident	84 Å²	84	52.4 Å²	52.4	59%	0.587	30%	0.296	S	S	*	.			trans	59	153	172.8	165.8	0	0	0	0	116.5	S36	S34-S36 WeakPolarHBondContact CB-O 3.37Å; S34-S36 PolarHBondContact O-N 2.89Å; S34-S36 PolarHBondContact OG-N 2.77Å; S34-S36 VanDerWaalsContact OG-N 3.15Å; S34-S36 PolarHBondContact OG-O 2.61Å
35	K	62.4	Low	75.5	Confident	212 Å²	212	50.5 Å²	50.5	92%	0.922	28%	0.284	S	S	*	.	S	Bend	trans	-56.3	-18.6	171.6	-76.2	-178.7	177.3	176.2	0	112.8
36	S	71.4	Confident	75.5	Confident	36 Å²	36	53.7 Å²	53.7	25%	0.252	30%	0.302	S	S	.	.	S	Bend	trans	-158.7	140.9	-179.9	62.3	0	0	0	0	112	S34 K58	S34-S36 WeakPolarHBondContact CB-O 3.37Å; S34-S36 PolarHBondContact O-N 2.89Å; S34-S36 PolarHBondContact OG-N 2.77Å; S34-S36 VanDerWaalsContact OG-N 3.15Å; S34-S36 PolarHBondContact OG-O 2.61Å; S36-K58 VanDerWaalsContact CB-C 3.43Å; S36-K58 WeakPolarHBondContact OG-CA 3.2Å
37	G	79.6	Confident	75.7	Confident	3 Å²	3	56.1 Å²	56.1	3%	0.031	31%	0.312	C	S	.	.			trans	-100.2	165.7	173.4	0	0	0	0	0	113.9	K58 T59	G37-K58 CarbonylContact O-C 3.54Å; G37-K58 WeakPolarHBondContact O-CA 3.37Å; G37-K58 PolarHBondContact O-N 3.05Å; G37-T59 PolarHBondContact O-N 2.64Å
38	D	92.1	Very high	76.7	Confident	30 Å²	30	55.9 Å²	55.9	16%	0.16	31%	0.306	C	S	.	.			trans	-107.8	90.1	174.5	-80.5	7.4	0	0	0	108.5	V55 C56 R57 K58 N84 H85	D38-V55 HydrophobicContact CB-CG1 3.83Å; D38-C56 CarbonylContact C-O 3.54Å; D38-C56 WeakPolarHBondContact CA-O 3.42Å; D38-R57 WeakPolarHBondContact OD1-CA 3.45Å; D38-R57 WeakPolarHBondContact OD1-CB 3.39Å; D38-K58 PolarHBondContact OD1-N 2.82Å; D38-N84 PolarHBondContact N-OD1 2.86Å; D38-N84 PolarHBondContact O-OD1 2.98Å; D38-H85 HydrophobicContact CB-CB 4.3Å; D38-H85 VanDerWaalsContact O-CB 3.3Å; D38-H85 WeakPolarHBondContact O-CB 3.32Å; D38-H85 PolarHBondContact O-N 2.72Å
39	L	94.3	Very high	78.1	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	139.8	-163	-59	176.2	0	0	0	114	F25 C56 T59 W60 P62 W64 F83 N84 I94	F25-L39 HydrophobicContact CD2-CD1 4.24Å; F25-L39 HydrophobicContact CE2-CD1 4.07Å; L39-C56 PolarHBondContact N-O 3.5Å; L39-C56 PolarHBondContact O-N 2.78Å; L39-T59 VanDerWaalsContact CD1-O 3.24Å; L39-T59 WeakPolarHBondContact CD1-O 3.47Å; L39-W60 HydrophobicContact CD1-CE3 3.96Å; L39-W60 HydrophobicContact CD1-CZ3 4.41Å; L39-W60 HydrophobicContact CD2-CE3 4.44Å; L39-W60 HydrophobicContact CD2-CZ3 4.11Å; L39-P62 HydrophobicContact CB-CB 4.17Å; L39-P62 HydrophobicContact CB-CG 4.04Å; L39-P62 HydrophobicContact CD1-CG 3.85Å; L39-W64 HydrophobicContact CB-CZ2 4.33Å; L39-W64 PolarHBondContact O-NE1 3.27Å; L39-F83 VanDerWaalsContact CA-O 3.27Å; L39-F83 WeakPolarHBondContact CA-O 3.21Å; L39-F83 WeakPolarHBondContact CD2-O 3.13Å; L39-N84 HydrophobicContact CD2-CB 3.86Å; L39-I94 HydrophobicContact CD2-CG1 4.26Å
40	F	96.8	Very high	79.7	Confident	2 Å²	2	60.2 Å²	60.2	1%	0.009	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	167.1	166.2	69.9	-88	0	0	0	111	D42 K52 V55 V82 F83 H85 D91	F40-D42 WeakPolarHBondContact CE2-OD1 3.25Å; F40-K52 HydrophobicContact CD2-CD 3.92Å; F40-K52 HydrophobicContact CD2-CG 3.84Å; F40-K52 HydrophobicContact CE2-CD 3.84Å; F40-K52 HydrophobicContact CE2-CG 4.23Å; F40-K52 VanDerWaalsContact CE2-NZ 3.28Å; F40-V55 HydrophobicContact CB-CG2 4.16Å; F40-V55 HydrophobicContact CD1-CG2 4.1Å; F40-V55 HydrophobicContact CG-CG2 4.46Å; F40-V82 WeakPolarHBondContact O-CA 3.45Å; F40-F83 HydrophobicContact CD1-CB 4.04Å; F40-F83 HydrophobicContact CD2-CB 4.29Å; F40-F83 HydrophobicContact CD2-CD2 4.38Å; F40-F83 HydrophobicContact CE1-CB 3.45Å; F40-F83 VanDerWaalsContact CE1-CB 3.45Å; F40-F83 HydrophobicContact CE1-CG 4.32Å; F40-F83 HydrophobicContact CE2-CB 3.74Å; F40-F83 AromaticContact CE2-CD2 3.64Å; F40-F83 HydrophobicContact CE2-CD2 3.64Å; F40-F83 HydrophobicContact CE2-CE2 4.47Å; F40-F83 AromaticContact CE2-CG 3.89Å; F40-F83 HydrophobicContact CE2-CG 3.89Å; F40-F83 HydrophobicContact CG-CB 4.44Å; F40-F83 HydrophobicContact CZ-CB 3.28Å; F40-F83 HydrophobicContact CZ-CD1 4.4Å; F40-F83 AromaticContact CZ-CD2 3.92Å; F40-F83 HydrophobicContact CZ-CD2 3.92Å; F40-F83 AromaticContact CZ-CG 3.65Å; F40-F83 HydrophobicContact CZ-CG 3.65Å; F40-F83 PolarHBondContact N-O 3.45Å; F40-F83 PolarHBondContact O-N 3.34Å; F40-H85 HydrophobicContact CD1-CB 3.97Å; F40-H85 HydrophobicContact CE1-CB 4Å; F40-D91 HydrophobicContact CE1-CB 3.89Å; F40-D91 VanDerWaalsContact CE1-CG 3.44Å; F40-D91 WeakPolarHBondContact CE1-OD2 3.39Å; F40-D91 HydrophobicContact CZ-CB 3.84Å; F40-D91 WeakPolarHBondContact CZ-OD2 3.3Å
41	A	97.2	Very high	81.6	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	134	177.9	0	0	0	0	0	111.1	I20 K52 T53 W64 I80 K81 V82	I20-A41 HydrophobicContact CD1-CB 4.35Å; I20-A41 HydrophobicContact CG2-CB 4.39Å; A41-K52 WeakPolarHBondContact O-CA 3.44Å; A41-T53 HydrophobicContact CB-CG2 4.15Å; A41-T53 PolarHBondContact N-OG1 3.31Å; A41-T53 PolarHBondContact O-N 3.26Å; A41-T53 PolarHBondContact O-OG1 2.81Å; A41-W64 HydrophobicContact CB-CH2 4Å; A41-W64 HydrophobicContact CB-CZ2 4.13Å; A41-W64 HydrophobicContact CB-CZ3 4.27Å; A41-I80 HydrophobicContact CB-CG2 4.19Å; A41-K81 CarbonylContact C-O 3.57Å; A41-K81 VanDerWaalsContact CA-O 3.29Å; A41-K81 WeakPolarHBondContact CA-O 3.49Å; A41-V82 HydrophobicContact CB-CG2 4.4Å
42	D	97.4	Very high	84	Confident	26 Å²	26	57.4 Å²	57.4	14%	0.139	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	137.5	166.9	-70.8	-13.2	0	0	0	109.6	F40 L44 F49 Y51 K52 I80 K81 F83	F40-D42 WeakPolarHBondContact CE2-OD1 3.25Å; D42-L44 HydrophobicContact CB-CD1 4.36Å; D42-F49 HydrophobicContact CB-CD2 4.27Å; D42-F49 HydrophobicContact CB-CE2 4.06Å; D42-Y51 CarbonylContact C-O 3.5Å; D42-Y51 WeakPolarHBondContact CA-O 3.32Å; D42-K52 VanDerWaalsContact OD1-CB 3.32Å; D42-K52 WeakPolarHBondContact OD1-CB 3.24Å; D42-K52 WeakPolarHBondContact OD1-CD 3.39Å; D42-K52 VanDerWaalsContact OD1-CG 3.3Å; D42-K52 WeakPolarHBondContact OD1-CG 3.5Å; D42-I80 WeakPolarHBondContact O-CA 3.09Å; D42-K81 HydrophobicContact CB-CB 4.47Å; D42-K81 PolarHBondContact N-O 3.03Å; D42-K81 PolarHBondContact O-N 2.83Å; D42-F83 HydrophobicContact CB-CE2 4.11Å; D42-F83 WeakPolarHBondContact OD2-CE2 3.5Å
43	L	96.5	Very high	86.3	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	131.8	174.5	-172.5	69.2	0	0	0	109.2	I18 I20 V50 Y51 I68 V70 I78 I80	I18-L43 HydrophobicContact CB-CD2 4.13Å; I18-L43 HydrophobicContact CD1-CD1 4.44Å; I18-L43 HydrophobicContact CD1-CD2 3.98Å; I18-L43 HydrophobicContact CG2-CD1 4.21Å; I18-L43 HydrophobicContact CG2-CD2 4.08Å; I20-L43 HydrophobicContact CD1-CB 4.16Å; I20-L43 HydrophobicContact CD1-CD1 4.34Å; L43-V50 HydrophobicContact CB-CG2 3.88Å; L43-V50 HydrophobicContact CD2-CG2 3.77Å; L43-V50 HydrophobicContact CG-CG2 3.66Å; L43-V50 WeakPolarHBondContact O-CG2 3.18Å; L43-V50 PolarHBondContact O-N 3.06Å; L43-Y51 PolarHBondContact N-O 3.11Å; L43-Y51 PolarHBondContact O-N 3.25Å; L43-I68 HydrophobicContact CD2-CG2 3.41Å; L43-I68 VanDerWaalsContact CD2-CG2 3.41Å; L43-V70 HydrophobicContact CD2-CG1 4.37Å; L43-I78 HydrophobicContact CD1-CG2 3.67Å; L43-I80 HydrophobicContact CD1-CG1 3.82Å
44	L	96.3	Very high	88.5	Confident	17 Å²	17	54.6 Å²	54.6	9%	0.089	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	142.5	174.3	-55.4	82.4	0	0	0	109.6	D42 T48 I78 Q79 K81	D42-L44 HydrophobicContact CB-CD1 4.36Å; L44-T48 CarbonylContact C-O 3.54Å; L44-T48 WeakPolarHBondContact CA-O 3.24Å; L44-I78 WeakPolarHBondContact O-CA 3.33Å; L44-Q79 HydrophobicContact CB-CB 4.27Å; L44-Q79 PolarHBondContact N-O 3.4Å; L44-Q79 PolarHBondContact O-N 2.97Å; L44-K81 HydrophobicContact CD1-CB 4.49Å; L44-K81 HydrophobicContact CD1-CD 3.87Å; L44-K81 HydrophobicContact CD1-CG 3.89Å
45	V	91.6	Very high	90.5	Very high	7 Å²	7	52.8 Å²	52.8	4%	0.042	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	122.9	171.2	-180	0	0	0	0	106.9	N47 T48 V50 V70 A72	V45-N47 PolarHBondContact O-N 3.4Å; V45-T48 PolarHBondContact N-O 2.73Å; V45-T48 VanDerWaalsContact O-CB 3.32Å; V45-T48 WeakPolarHBondContact O-CB 3.42Å; V45-T48 PolarHBondContact O-N 2.95Å; V45-V50 HydrophobicContact CB-CG1 4.31Å; V45-V50 HydrophobicContact CG2-CG1 4.26Å; V45-V50 HydrophobicContact CG2-CG2 3.99Å; V45-V70 HydrophobicContact CG2-CB 4.11Å; V45-V70 HydrophobicContact CG2-CG1 4.16Å; V45-V70 HydrophobicContact CG2-CG2 4.04Å; V45-A72 HydrophobicContact CG1-CB 4.48Å
46	D	89.9	Confident	92	Very high	77 Å²	77	44.2 Å²	44.2	41%	0.412	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.5	47.5	-177.8	-57.1	-34.4	0	0	0	111.5	T48 S76 I77	D46-T48 PolarHBondContact O-N 2.88Å; D46-S76 WeakPolarHBondContact OD1-CA 3.47Å; D46-S76 WeakPolarHBondContact OD1-CB 3.44Å; D46-S76 PolarHBondContact OD1-OG 2.8Å; D46-S76 VanDerWaalsContact OD2-CB 3.32Å; D46-S76 WeakPolarHBondContact OD2-CB 3.24Å; D46-S76 PolarHBondContact OD2-OG 3.07Å; D46-I77 PolarHBondContact N-O 2.85Å; D46-I77 PolarHBondContact OD1-N 3.14Å
47	N	84.6	Confident	93	Very high	81 Å²	81	50.4 Å²	50.4	43%	0.433	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.8	5.3	-175.4	-63.3	-25.7	0	0	0	116.1	V45 Q79 Y483	V45-N47 PolarHBondContact O-N 3.4Å; N47-Q79 PolarHBondContact OD1-OE1 3.34Å; N47-Y483 PolarHBondContact ND2-OH 3.08Å
48	T	86.5	Confident	93.4	Very high	92 Å²	92	58.1 Å²	58.1	56%	0.564	28%	0.278	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.3	125	175.4	-55.1	0	0	0	0	109.7	L44 V45 D46 V50	L44-T48 CarbonylContact C-O 3.54Å; L44-T48 WeakPolarHBondContact CA-O 3.24Å; V45-T48 PolarHBondContact N-O 2.73Å; V45-T48 VanDerWaalsContact O-CB 3.32Å; V45-T48 WeakPolarHBondContact O-CB 3.42Å; V45-T48 PolarHBondContact O-N 2.95Å; D46-T48 PolarHBondContact O-N 2.88Å; T48-V50 PolarHBondContact O-N 2.96Å
49	F	92.3	Very high	93.3	Very high	115 Å²	115	58.6 Å²	58.6	50%	0.504	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	128.6	173.8	171.9	-93.5	0	0	0	110.7	D42 Y51 K52	D42-F49 HydrophobicContact CB-CD2 4.27Å; D42-F49 HydrophobicContact CB-CE2 4.06Å; F49-Y51 WeakPolarHBondContact CE2-O 3.33Å; F49-K52 HydrophobicContact CE2-CB 4Å; F49-K52 HydrophobicContact CZ-CB 3.74Å
50	V	90.8	Very high	93	Very high	51 Å²	51	59.2 Å²	59.2	31%	0.309	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	-26.9	-177.8	-69.7	0	0	0	0	113.7	L43 V45 T48 V70	L43-V50 HydrophobicContact CB-CG2 3.88Å; L43-V50 HydrophobicContact CD2-CG2 3.77Å; L43-V50 HydrophobicContact CG-CG2 3.66Å; L43-V50 WeakPolarHBondContact O-CG2 3.18Å; L43-V50 PolarHBondContact O-N 3.06Å; V45-V50 HydrophobicContact CB-CG1 4.31Å; V45-V50 HydrophobicContact CG2-CG1 4.26Å; V45-V50 HydrophobicContact CG2-CG2 3.99Å; T48-V50 PolarHBondContact O-N 2.96Å; V50-V70 HydrophobicContact CB-CG1 4.12Å; V50-V70 HydrophobicContact CG1-CG1 4.4Å; V50-V70 HydrophobicContact CG2-CG1 3.93Å
51	Y	95.4	Very high	92.8	Very high	63 Å²	63	62.7 Å²	62.7	25%	0.247	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.5	146.7	-175.5	-164.1	-104.4	0	0	0	113	D42 L43 F49 T53 E66 I68	D42-Y51 CarbonylContact C-O 3.5Å; D42-Y51 WeakPolarHBondContact CA-O 3.32Å; L43-Y51 PolarHBondContact N-O 3.11Å; L43-Y51 PolarHBondContact O-N 3.25Å; F49-Y51 WeakPolarHBondContact CE2-O 3.33Å; Y51-T53 HydrophobicContact CD1-CG2 4.39Å; Y51-T53 HydrophobicContact CE1-CG2 4.21Å; Y51-E66 HydrophobicContact CE1-CB 3.99Å; Y51-E66 PolarHBondContact OH-OE2 3.09Å; Y51-I68 HydrophobicContact CD1-CB 4.48Å; Y51-I68 HydrophobicContact CD1-CG2 4.47Å; Y51-I68 HydrophobicContact CD2-CB 3.87Å; Y51-I68 HydrophobicContact CD2-CD1 3.75Å; Y51-I68 HydrophobicContact CD2-CG1 3.78Å; Y51-I68 HydrophobicContact CE2-CB 4.34Å; Y51-I68 HydrophobicContact CE2-CD1 4.17Å; Y51-I68 HydrophobicContact CE2-CG1 4.49Å; Y51-I68 HydrophobicContact CG-CB 3.94Å; Y51-I68 HydrophobicContact CG-CG1 4.1Å; Y51-I68 HydrophobicContact CG-CG2 4.1Å
52	K	96.7	Very high	92.6	Very high	88 Å²	88	62.7 Å²	62.7	38%	0.383	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	128.8	170.2	172.5	163.6	178.9	158.8	0	109.3	F40 A41 D42 F49 D91	F40-K52 HydrophobicContact CD2-CD 3.92Å; F40-K52 HydrophobicContact CD2-CG 3.84Å; F40-K52 HydrophobicContact CE2-CD 3.84Å; F40-K52 HydrophobicContact CE2-CG 4.23Å; F40-K52 VanDerWaalsContact CE2-NZ 3.28Å; A41-K52 WeakPolarHBondContact O-CA 3.44Å; D42-K52 VanDerWaalsContact OD1-CB 3.32Å; D42-K52 WeakPolarHBondContact OD1-CB 3.24Å; D42-K52 WeakPolarHBondContact OD1-CD 3.39Å; D42-K52 VanDerWaalsContact OD1-CG 3.3Å; D42-K52 WeakPolarHBondContact OD1-CG 3.5Å; F49-K52 HydrophobicContact CE2-CB 4Å; F49-K52 HydrophobicContact CZ-CB 3.74Å; K52-D91 IonicContact NZ-OD2 3.65Å; K52-D91 PolarHBondContact NZ-OD2 2.98Å
53	T	97.4	Very high	92.5	Very high	5 Å²	5	65.2 Å²	65.2	3%	0.031	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-76.3	166.9	176.4	68.3	0	0	0	0	112.1	I20 A41 Y51 W64 E66	I20-T53 HydrophobicContact CB-CG2 4.38Å; I20-T53 HydrophobicContact CD1-CG2 3.99Å; A41-T53 HydrophobicContact CB-CG2 4.15Å; A41-T53 PolarHBondContact N-OG1 3.31Å; A41-T53 PolarHBondContact O-N 3.26Å; A41-T53 PolarHBondContact O-OG1 2.81Å; Y51-T53 HydrophobicContact CD1-CG2 4.39Å; Y51-T53 HydrophobicContact CE1-CG2 4.21Å; T53-W64 HydrophobicContact CG2-CB 4.16Å; T53-W64 HydrophobicContact CG2-CD2 4.42Å; T53-W64 HydrophobicContact CG2-CG 4.03Å; T53-W64 PolarHBondContact OG1-NE1 2.8Å; T53-W64 VanDerWaalsContact OG1-NE1 3.11Å; T53-E66 HydrophobicContact CG2-CB 4.38Å
54	K	95.8	Very high	92.5	Very high	157 Å²	157	66.2 Å²	66.2	68%	0.683	32%	0.324	S	S	*	.	P	Polyproline II helix	trans	-65.7	150	169.4	-64.4	174.9	-176.8	175.9	0	111	C56 W64 E66	K54-C56 PolarHBondContact O-N 3.37Å; K54-W64 PolarHBondContact O-NE1 2.73Å; K54-E66 WeakPolarHBondContact CB-OE1 3.49Å; K54-E66 WeakPolarHBondContact CG-OE1 3.22Å; K54-E66 PolarHBondContact N-OE1 2.93Å; K54-E66 PolarHBondContact N-OE2 3Å
55	V	95.7	Very high	92.5	Very high	47 Å²	47	69.8 Å²	69.8	29%	0.285	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-72.8	117.6	174.5	-176.7	0	0	0	0	110.2	D38 F40 R57 H85	D38-V55 HydrophobicContact CB-CG1 3.83Å; F40-V55 HydrophobicContact CB-CG2 4.16Å; F40-V55 HydrophobicContact CD1-CG2 4.1Å; F40-V55 HydrophobicContact CG-CG2 4.46Å; V55-R57 HydrophobicContact CG1-CG 4.22Å; V55-H85 HydrophobicContact CG1-CB 4.01Å; V55-H85 HydrophobicContact CG2-CB 4.23Å
56	C	94.1	Very high	92.7	Very high	31 Å²	31	70.8 Å²	70.8	21%	0.209	35%	0.347	C	S	.	.	B	Isolated β-bridge	trans	-86.2	105.2	169.1	-102.7	0	0	0	0	109.3	D38 L39 K54 T59 P62 T63	D38-C56 CarbonylContact C-O 3.54Å; D38-C56 WeakPolarHBondContact CA-O 3.42Å; L39-C56 PolarHBondContact N-O 3.5Å; L39-C56 PolarHBondContact O-N 2.78Å; K54-C56 PolarHBondContact O-N 3.37Å; C56-T59 HydrophobicContact CB-CG2 3.95Å; C56-P62 HydrophobicContact CB-CB 3.57Å; C56-T63 PolarHBondContact SG-O 2.67Å; C56-T63 VanDerWaalsContact SG-O 3.41Å
57	R	92.3	Very high	92.9	Very high	167 Å²	167	70.2 Å²	70.2	63%	0.63	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	149.8	-174.9	-60.2	-174	-179	162.5	-0.1	113	D38 V55 T59	D38-R57 WeakPolarHBondContact OD1-CA 3.45Å; D38-R57 WeakPolarHBondContact OD1-CB 3.39Å; V55-R57 HydrophobicContact CG1-CG 4.22Å; R57-T59 VanDerWaalsContact C-N 3.33Å; R57-T59 PolarHBondContact O-N 3.16Å
58	K	87.9	Confident	93.4	Very high	165 Å²	165	68.4 Å²	68.4	72%	0.717	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.4	43.5	170.9	-56.4	-178.6	179.3	-178.1	0	114.1	S36 G37 D38	S36-K58 VanDerWaalsContact CB-C 3.43Å; S36-K58 WeakPolarHBondContact OG-CA 3.2Å; G37-K58 CarbonylContact O-C 3.54Å; G37-K58 WeakPolarHBondContact O-CA 3.37Å; G37-K58 PolarHBondContact O-N 3.05Å; D38-K58 PolarHBondContact OD1-N 2.82Å
59	T	89.5	Confident	93.7	Very high	39 Å²	39	66.7 Å²	66.7	24%	0.239	33%	0.331	C	S	.	.			trans	-151.1	140.9	176.8	-177.3	0	0	0	0	112.8	G37 L39 C56 R57 N61 P62	G37-T59 PolarHBondContact O-N 2.64Å; L39-T59 VanDerWaalsContact CD1-O 3.24Å; L39-T59 WeakPolarHBondContact CD1-O 3.47Å; C56-T59 HydrophobicContact CB-CG2 3.95Å; R57-T59 VanDerWaalsContact C-N 3.33Å; R57-T59 PolarHBondContact O-N 3.16Å; T59-N61 PolarHBondContact OG1-N 2.86Å; T59-N61 PolarHBondContact OG1-O 2.8Å; T59-P62 HydrophobicContact CG2-CB 4.25Å
60	W	88.8	Confident	93.6	Very high	13 Å²	13	61.6 Å²	61.6	5%	0.049	31%	0.309	C	S	.	.	S	Bend	trans	-93.5	2.8	167	-76.2	112.4	0	0	0	112.8	F25 C29 K30 F33 L39 I94	F25-W60 HydrophobicContact CB-CE3 4.34Å; F25-W60 HydrophobicContact CD2-CE3 4.47Å; F25-W60 WeakPolarHBondContact CD2-O 3.3Å; F25-W60 HydrophobicContact CG-CE3 4.32Å; F25-W60 PolarHBondContact N-O 3.48Å; C29-W60 HydrophobicContact CB-CZ3 4.45Å; C29-W60 WeakPolarHBondContact O-CZ2 3.38Å; K30-W60 HydrophobicContact CG-CG 4.23Å; F33-W60 HydrophobicContact CB-CZ2 4.42Å; F33-W60 WeakPolarHBondContact O-CZ2 3.12Å; L39-W60 HydrophobicContact CD1-CE3 3.96Å; L39-W60 HydrophobicContact CD1-CZ3 4.41Å; L39-W60 HydrophobicContact CD2-CE3 4.44Å; L39-W60 HydrophobicContact CD2-CZ3 4.11Å; W60-I94 HydrophobicContact CH2-CD1 4.37Å; W60-I94 HydrophobicContact CZ3-CD1 4.46Å; W60-I94 HydrophobicContact CZ3-CG2 4.37Å
61	N	91.3	Very high	93.4	Very high	75 Å²	75	64 Å²	64	40%	0.401	32%	0.319	S	S	.	.	S	Bend	trans	-129.3	69.8	176.6	-58.1	-70.1	0	0	0	108.9	A23 T24 T59	A23-N61 CarbonylContact O-C 3.47Å; A23-N61 VanDerWaalsContact O-CA 3.25Å; A23-N61 WeakPolarHBondContact O-CA 3.38Å; T24-N61 WeakPolarHBondContact CA-OD1 3.45Å; T59-N61 PolarHBondContact OG1-N 2.86Å; T59-N61 PolarHBondContact OG1-O 2.8Å
62	P	94	Very high	92.9	Very high	0 Å²	0	61 Å²	61	0%	0	31%	0.308	C	S	.	.			trans	-70	147	-174	30.5	-35.5	0	0	0	110.8	C22 A23 L39 C56 T59 W64	C22-P62 CarbonylContact C-O 3.58Å; C22-P62 WeakPolarHBondContact CA-O 3.39Å; C22-P62 WeakPolarHBondContact CB-O 3.42Å; A23-P62 HydrophobicContact CB-CG 4.01Å; A23-P62 PolarHBondContact N-O 2.81Å; A23-P62 WeakPolarHBondContact O-CD 3.22Å; L39-P62 HydrophobicContact CB-CB 4.17Å; L39-P62 HydrophobicContact CB-CG 4.04Å; L39-P62 HydrophobicContact CD1-CG 3.85Å; C56-P62 HydrophobicContact CB-CB 3.57Å; T59-P62 HydrophobicContact CG2-CB 4.25Å; P62-W64 HydrophobicContact CB-CD2 4.31Å; P62-W64 HydrophobicContact CB-CH2 3.91Å; P62-W64 HydrophobicContact CB-CZ2 3.55Å; P62-W64 HydrophobicContact CB-CZ3 4.38Å; P62-W64 HydrophobicContact CG-CE3 4.49Å; P62-W64 HydrophobicContact CG-CH2 3.27Å; P62-W64 HydrophobicContact CG-CZ2 3.39Å; P62-W64 HydrophobicContact CG-CZ3 3.86Å
63	T	96	Very high	92.4	Very high	80 Å²	80	57.8 Å²	57.8	49%	0.491	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	107.5	173.8	-60.5	0	0	0	0	108.4	K21 C22 C56 N65	K21-T63 CarbonylContact O-C 3.49Å; C22-T63 HydrophobicContact CB-CG2 4.43Å; C56-T63 PolarHBondContact SG-O 2.67Å; C56-T63 VanDerWaalsContact SG-O 3.41Å; T63-N65 VanDerWaalsContact CG2-ND2 3.27Å; T63-N65 WeakPolarHBondContact CG2-ND2 3.45Å
64	W	96.3	Very high	91.6	Very high	20 Å²	20	57.6 Å²	57.6	8%	0.076	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	-49.7	-178.6	-58.4	-74.3	0	0	0	111.2	I20 K21 A23 L39 A41 T53 K54 P62 E66 V82	I20-W64 HydrophobicContact CG2-CE3 3.71Å; I20-W64 HydrophobicContact CG2-CZ3 4.06Å; K21-W64 PolarHBondContact O-N 3.02Å; A23-W64 HydrophobicContact CB-CH2 4Å; A23-W64 HydrophobicContact CB-CZ3 3.88Å; L39-W64 HydrophobicContact CB-CZ2 4.33Å; L39-W64 PolarHBondContact O-NE1 3.27Å; A41-W64 HydrophobicContact CB-CH2 4Å; A41-W64 HydrophobicContact CB-CZ2 4.13Å; A41-W64 HydrophobicContact CB-CZ3 4.27Å; T53-W64 HydrophobicContact CG2-CB 4.16Å; T53-W64 HydrophobicContact CG2-CD2 4.42Å; T53-W64 HydrophobicContact CG2-CG 4.03Å; T53-W64 PolarHBondContact OG1-NE1 2.8Å; T53-W64 VanDerWaalsContact OG1-NE1 3.11Å; K54-W64 PolarHBondContact O-NE1 2.73Å; P62-W64 HydrophobicContact CB-CD2 4.31Å; P62-W64 HydrophobicContact CB-CH2 3.91Å; P62-W64 HydrophobicContact CB-CZ2 3.55Å; P62-W64 HydrophobicContact CB-CZ3 4.38Å; P62-W64 HydrophobicContact CG-CE3 4.49Å; P62-W64 HydrophobicContact CG-CH2 3.27Å; P62-W64 HydrophobicContact CG-CZ2 3.39Å; P62-W64 HydrophobicContact CG-CZ3 3.86Å; W64-E66 HydrophobicContact CB-CG 4.23Å; W64-E66 PolarHBondContact O-N 2.89Å; W64-V82 HydrophobicContact CH2-CG1 4.14Å; W64-V82 HydrophobicContact CH2-CG2 4.43Å
65	N	95.2	Very high	91	Very high	93 Å²	93	56 Å²	56	50%	0.497	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	50.8	40.9	-172.2	-68.9	-44.5	0	0	0	113.1	I20 K21 T63	I20-N65 WeakPolarHBondContact O-CA 3.45Å; I20-N65 PolarHBondContact O-N 3.26Å; I20-N65 VanDerWaalsContact O-N 3.08Å; K21-N65 PolarHBondContact O-N 2.81Å; T63-N65 VanDerWaalsContact CG2-ND2 3.27Å; T63-N65 WeakPolarHBondContact CG2-ND2 3.45Å
66	E	96.7	Very high	90.7	Very high	27 Å²	27	53.8 Å²	53.8	13%	0.126	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	140.2	-178.9	-67.9	178.7	-126.9	0	0	109.8	T19 I20 Y51 T53 K54 W64	T19-E66 CarbonylContact C-O 3.59Å; T19-E66 VanDerWaalsContact CA-O 3.29Å; T19-E66 WeakPolarHBondContact CA-O 3.33Å; I20-E66 PolarHBondContact N-O 2.98Å; I20-E66 PolarHBondContact O-N 2.97Å; Y51-E66 HydrophobicContact CE1-CB 3.99Å; Y51-E66 PolarHBondContact OH-OE2 3.09Å; T53-E66 HydrophobicContact CG2-CB 4.38Å; K54-E66 WeakPolarHBondContact CB-OE1 3.49Å; K54-E66 WeakPolarHBondContact CG-OE1 3.22Å; K54-E66 PolarHBondContact N-OE1 2.93Å; K54-E66 PolarHBondContact N-OE2 3Å; W64-E66 HydrophobicContact CB-CG 4.23Å; W64-E66 PolarHBondContact O-N 2.89Å
67	S	94.4	Very high	90.6	Very high	66 Å²	66	55.9 Å²	55.9	46%	0.462	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	139.3	-176.5	-56.2	0	0	0	0	110.9	I18 T19	I18-S67 WeakPolarHBondContact O-CA 3.35Å; T19-S67 WeakPolarHBondContact CB-OG 3.43Å; T19-S67 WeakPolarHBondContact CG2-OG 3.4Å; T19-S67 PolarHBondContact OG1-OG 2.85Å
68	I	94.7	Very high	90.6	Very high	43 Å²	43	47.9 Å²	47.9	22%	0.221	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	147	176.9	-174.9	60.6	0	0	0	109.8	V17 I18 L43 Y51 V70	V17-I68 WeakPolarHBondContact CA-O 3.41Å; I18-I68 HydrophobicContact CB-CG2 4.43Å; I18-I68 PolarHBondContact N-O 2.87Å; I18-I68 PolarHBondContact O-N 3.39Å; L43-I68 HydrophobicContact CD2-CG2 3.41Å; L43-I68 VanDerWaalsContact CD2-CG2 3.41Å; Y51-I68 HydrophobicContact CD1-CB 4.48Å; Y51-I68 HydrophobicContact CD1-CG2 4.47Å; Y51-I68 HydrophobicContact CD2-CB 3.87Å; Y51-I68 HydrophobicContact CD2-CD1 3.75Å; Y51-I68 HydrophobicContact CD2-CG1 3.78Å; Y51-I68 HydrophobicContact CE2-CB 4.34Å; Y51-I68 HydrophobicContact CE2-CD1 4.17Å; Y51-I68 HydrophobicContact CE2-CG1 4.49Å; Y51-I68 HydrophobicContact CG-CB 3.94Å; Y51-I68 HydrophobicContact CG-CG1 4.1Å; Y51-I68 HydrophobicContact CG-CG2 4.1Å; I68-V70 HydrophobicContact CG1-CG1 4.29Å; I68-V70 HydrophobicContact CG2-CG1 4.17Å
69	S	92.1	Very high	91	Very high	55 Å²	55	41.2 Å²	41.2	39%	0.385	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	126.4	170.3	-168.6	0	0	0	0	109.2	Q15 L16	Q15-S69 WeakPolarHBondContact CG-OG 3.39Å; Q15-S69 PolarHBondContact NE2-OG 2.95Å; L16-S69 WeakPolarHBondContact O-CA 3.31Å
70	V	91.2	Very high	91.4	Very high	8 Å²	8	39.4 Å²	39.4	5%	0.048	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	164.3	178.6	-57.8	0	0	0	0	110.3	Q15 L16 I18 L43 V45 V50 I68	Q15-V70 WeakPolarHBondContact CA-O 3.31Å; L16-V70 HydrophobicContact CB-CG2 4.03Å; L16-V70 HydrophobicContact CD2-CG2 4.38Å; L16-V70 HydrophobicContact CG-CG2 4.36Å; L16-V70 PolarHBondContact N-O 2.85Å; L16-V70 WeakPolarHBondContact O-CG2 3.42Å; L16-V70 PolarHBondContact O-N 2.77Å; I18-V70 HydrophobicContact CD1-CG1 4.44Å; I18-V70 HydrophobicContact CD1-CG2 3.58Å; I18-V70 HydrophobicContact CG1-CG2 4.11Å; L43-V70 HydrophobicContact CD2-CG1 4.37Å; V45-V70 HydrophobicContact CG2-CB 4.11Å; V45-V70 HydrophobicContact CG2-CG1 4.16Å; V45-V70 HydrophobicContact CG2-CG2 4.04Å; V50-V70 HydrophobicContact CB-CG1 4.12Å; V50-V70 HydrophobicContact CG1-CG1 4.4Å; V50-V70 HydrophobicContact CG2-CG1 3.93Å; I68-V70 HydrophobicContact CG1-CG1 4.29Å; I68-V70 HydrophobicContact CG2-CG1 4.17Å
71	I	86.8	Confident	91.8	Very high	103 Å²	103	41.7 Å²	41.7	53%	0.528	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	127.3	170.1	-58.2	-59.1	0	0	0	107.3	L13	L13-I71 HydrophobicContact CB-CG2 3.6Å; L13-I71 HydrophobicContact CD1-CG2 4.09Å; L13-I71 HydrophobicContact CD2-CG2 4.02Å; L13-I71 HydrophobicContact CG-CG2 4.1Å
72	A	84.9	Confident	92	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	148.7	-178.7	0	0	0	0	0	111.1	S14 L16 V45 L101	S14-A72 PolarHBondContact N-O 2.84Å; S14-A72 PolarHBondContact O-N 2.86Å; L16-A72 HydrophobicContact CB-CB 4.46Å; L16-A72 HydrophobicContact CD2-CB 4.37Å; V45-A72 HydrophobicContact CG1-CB 4.48Å; A72-L101 HydrophobicContact CB-CD2 3.88Å
73	S	85	Confident	92	Very high	20 Å²	20	39.7 Å²	39.7	14%	0.14	21%	0.211	C	C	.	.			trans	-94	165.2	169.1	81.8	0	0	0	0	109.8	K75 S76 L101	S73-K75 PolarHBondContact O-N 2.75Å; S73-K75 PolarHBondContact OG-N 3.03Å; S73-S76 PolarHBondContact N-OG 3.33Å; S73-S76 WeakPolarHBondContact O-CB 3.18Å; S73-S76 PolarHBondContact O-N 3.09Å; S73-S76 PolarHBondContact O-OG 3.33Å; S73-S76 PolarHBondContact OG-N 3.1Å; S73-S76 PolarHBondContact OG-OG 3.28Å; S73-S76 VanDerWaalsContact OG-OG 3.07Å; S73-L101 WeakPolarHBondContact O-CD2 3.35Å
74	P	80.7	Confident	91.8	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.006	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-13.3	177.1	19.3	-16.6	0	0	0	113.2	F102 L105 M140 L145	P74-F102 WeakPolarHBondContact O-CA 3.46Å; P74-F102 VanDerWaalsContact O-CB 3.27Å; P74-F102 WeakPolarHBondContact O-CB 3.32Å; P74-F102 PolarHBondContact O-N 2.8Å; P74-F102 VanDerWaalsContact O-N 3.16Å; P74-L105 HydrophobicContact CB-CD1 3.75Å; P74-M140 HydrophobicContact CB-CE 3.6Å; P74-M140 HydrophobicContact CB-SD 4.12Å; P74-M140 HydrophobicContact CG-CE 3.4Å; P74-M140 VanDerWaalsContact CG-CE 3.4Å; P74-M140 HydrophobicContact CG-SD 4.48Å; P74-L145 HydrophobicContact CB-CD1 3.96Å; P74-L145 HydrophobicContact CB-CD2 4.17Å; P74-L145 HydrophobicContact CG-CD1 4.42Å; P74-L145 HydrophobicContact CG-CD2 3.86Å
75	K	82.7	Confident	91.5	Very high	124 Å²	124	38 Å²	38	54%	0.539	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.1	4.1	176.2	-64.3	-172.4	176.5	-175	0	113.4	S73	S73-K75 PolarHBondContact O-N 2.75Å; S73-K75 PolarHBondContact OG-N 3.03Å
76	S	89.4	Confident	90.8	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.19	C	C	.	.	P	Polyproline II helix	trans	-66.2	144.5	-174.3	-71.9	0	0	0	0	112.6	D46 S73 L101	D46-S76 WeakPolarHBondContact OD1-CA 3.47Å; D46-S76 WeakPolarHBondContact OD1-CB 3.44Å; D46-S76 PolarHBondContact OD1-OG 2.8Å; D46-S76 VanDerWaalsContact OD2-CB 3.32Å; D46-S76 WeakPolarHBondContact OD2-CB 3.24Å; D46-S76 PolarHBondContact OD2-OG 3.07Å; S73-S76 PolarHBondContact N-OG 3.33Å; S73-S76 WeakPolarHBondContact O-CB 3.18Å; S73-S76 PolarHBondContact O-N 3.09Å; S73-S76 PolarHBondContact O-OG 3.33Å; S73-S76 PolarHBondContact OG-N 3.1Å; S73-S76 PolarHBondContact OG-OG 3.28Å; S73-S76 VanDerWaalsContact OG-OG 3.07Å; S76-L101 WeakPolarHBondContact O-CB 3.14Å; S76-L101 PolarHBondContact O-N 3.3Å
77	I	92	Very high	89.8	Confident	74 Å²	74	43.9 Å²	43.9	38%	0.379	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	121.7	173.3	-59.4	179.6	0	0	0	108.6	D46 Q79 I99	D46-I77 PolarHBondContact N-O 2.85Å; D46-I77 PolarHBondContact OD1-N 3.14Å; I77-Q79 HydrophobicContact CG2-CG 4.22Å; I77-I99 CarbonylContact C-O 3.39Å; I77-I99 WeakPolarHBondContact CA-O 3.3Å
78	I	93.9	Very high	88	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	123.4	177	-56.3	164.6	0	0	0	108	L16 I18 L43 L44 A98 I99 L101 L135	L16-I78 HydrophobicContact CD2-CD1 3.65Å; I18-I78 HydrophobicContact CD1-CD1 3.83Å; I18-I78 HydrophobicContact CD1-CG1 4.29Å; I18-I78 HydrophobicContact CD1-CG2 3.95Å; L43-I78 HydrophobicContact CD1-CG2 3.67Å; L44-I78 WeakPolarHBondContact O-CA 3.33Å; I78-A98 CarbonylContact O-C 3.52Å; I78-A98 WeakPolarHBondContact O-CA 3.36Å; I78-I99 HydrophobicContact CB-CB 4.19Å; I78-I99 HydrophobicContact CB-CD1 4.35Å; I78-I99 HydrophobicContact CG2-CD1 4.43Å; I78-I99 PolarHBondContact N-O 3.07Å; I78-I99 PolarHBondContact O-N 3.27Å; I78-L101 HydrophobicContact CD1-CD1 4.13Å; I78-L135 HydrophobicContact CD1-CD2 4.47Å
79	Q	96.2	Very high	86.8	Confident	25 Å²	25	47 Å²	47	12%	0.117	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	140	176	-62.4	-178.9	-25.4	0	0	111.1	L44 N47 I77 A97 A98	L44-Q79 HydrophobicContact CB-CB 4.27Å; L44-Q79 PolarHBondContact N-O 3.4Å; L44-Q79 PolarHBondContact O-N 2.97Å; N47-Q79 PolarHBondContact OD1-OE1 3.34Å; I77-Q79 HydrophobicContact CG2-CG 4.22Å; Q79-A97 CarbonylContact C-O 3.52Å; Q79-A97 WeakPolarHBondContact CA-O 3.35Å; Q79-A98 HydrophobicContact CG-CB 4.21Å
80	I	97.2	Very high	85.9	Confident	1 Å²	1	46.8 Å²	46.8	1%	0.005	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	116.4	173.3	-56.8	171.6	0	0	0	107.2	A41 D42 L43 V82 V96 A97 L119 V131 V133	A41-I80 HydrophobicContact CB-CG2 4.19Å; D42-I80 WeakPolarHBondContact O-CA 3.09Å; L43-I80 HydrophobicContact CD1-CG1 3.82Å; I80-V82 HydrophobicContact CG2-CG2 4.46Å; I80-V96 CarbonylContact O-C 3.58Å; I80-V96 WeakPolarHBondContact O-CA 3.37Å; I80-A97 PolarHBondContact N-O 3.41Å; I80-A97 PolarHBondContact O-N 3.38Å; I80-L119 HydrophobicContact CD1-CD1 4.21Å; I80-V131 HydrophobicContact CD1-CG1 4.17Å; I80-V131 HydrophobicContact CD1-CG2 4.46Å; I80-V131 HydrophobicContact CG2-CG2 4.43Å; I80-V133 HydrophobicContact CD1-CB 4.34Å; I80-V133 HydrophobicContact CD1-CG1 3.68Å; I80-V133 HydrophobicContact CD1-CG2 3.63Å
81	K	96.9	Very high	85.8	Confident	60 Å²	60	49 Å²	49	26%	0.261	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	121.6	177.8	-62.5	-171.5	-178.5	-179.8	0	108.8	A41 D42 L44 F83 L93 V96	A41-K81 CarbonylContact C-O 3.57Å; A41-K81 VanDerWaalsContact CA-O 3.29Å; A41-K81 WeakPolarHBondContact CA-O 3.49Å; D42-K81 HydrophobicContact CB-CB 4.47Å; D42-K81 PolarHBondContact N-O 3.03Å; D42-K81 PolarHBondContact O-N 2.83Å; L44-K81 HydrophobicContact CD1-CB 4.49Å; L44-K81 HydrophobicContact CD1-CD 3.87Å; L44-K81 HydrophobicContact CD1-CG 3.89Å; K81-F83 HydrophobicContact CB-CD2 4.31Å; K81-F83 HydrophobicContact CB-CE2 3.56Å; K81-F83 HydrophobicContact CB-CZ 4.2Å; K81-L93 HydrophobicContact CB-CD1 3.81Å; K81-L93 HydrophobicContact CG-CD1 4.42Å; K81-V96 HydrophobicContact CG-CG1 4.15Å; K81-V96 HydrophobicContact CG-CG2 4.04Å
82	V	95.7	Very high	85.8	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	126.9	179.9	-174.8	0	0	0	0	109.5	F25 F40 A41 W64 I80 I94 A95 L121	F25-V82 HydrophobicContact CE2-CG1 3.98Å; F25-V82 HydrophobicContact CZ-CB 4.01Å; F25-V82 HydrophobicContact CZ-CG1 3.69Å; F25-V82 HydrophobicContact CZ-CG2 4.37Å; F40-V82 WeakPolarHBondContact O-CA 3.45Å; A41-V82 HydrophobicContact CB-CG2 4.4Å; W64-V82 HydrophobicContact CH2-CG1 4.14Å; W64-V82 HydrophobicContact CH2-CG2 4.43Å; I80-V82 HydrophobicContact CG2-CG2 4.46Å; V82-I94 WeakPolarHBondContact O-CB 3.28Å; V82-I94 PolarHBondContact O-N 3.42Å; V82-A95 PolarHBondContact N-O 3.26Å; V82-A95 PolarHBondContact O-N 3.28Å; V82-L121 HydrophobicContact CG2-CD1 4.27Å; V82-L121 HydrophobicContact CG2-CD2 3.99Å
83	F	94.5	Very high	86.1	Confident	34 Å²	34	49.7 Å²	49.7	15%	0.149	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	154.2	-177.2	-68.1	-96.7	0	0	0	111.6	L39 F40 D42 K81 D91 V92 L93	L39-F83 VanDerWaalsContact CA-O 3.27Å; L39-F83 WeakPolarHBondContact CA-O 3.21Å; L39-F83 WeakPolarHBondContact CD2-O 3.13Å; F40-F83 HydrophobicContact CD1-CB 4.04Å; F40-F83 HydrophobicContact CD2-CB 4.29Å; F40-F83 HydrophobicContact CD2-CD2 4.38Å; F40-F83 HydrophobicContact CE1-CB 3.45Å; F40-F83 VanDerWaalsContact CE1-CB 3.45Å; F40-F83 HydrophobicContact CE1-CG 4.32Å; F40-F83 HydrophobicContact CE2-CB 3.74Å; F40-F83 AromaticContact CE2-CD2 3.64Å; F40-F83 HydrophobicContact CE2-CD2 3.64Å; F40-F83 HydrophobicContact CE2-CE2 4.47Å; F40-F83 AromaticContact CE2-CG 3.89Å; F40-F83 HydrophobicContact CE2-CG 3.89Å; F40-F83 HydrophobicContact CG-CB 4.44Å; F40-F83 HydrophobicContact CZ-CB 3.28Å; F40-F83 HydrophobicContact CZ-CD1 4.4Å; F40-F83 AromaticContact CZ-CD2 3.92Å; F40-F83 HydrophobicContact CZ-CD2 3.92Å; F40-F83 AromaticContact CZ-CG 3.65Å; F40-F83 HydrophobicContact CZ-CG 3.65Å; F40-F83 PolarHBondContact N-O 3.45Å; F40-F83 PolarHBondContact O-N 3.34Å; D42-F83 HydrophobicContact CB-CE2 4.11Å; D42-F83 WeakPolarHBondContact OD2-CE2 3.5Å; K81-F83 HydrophobicContact CB-CD2 4.31Å; K81-F83 HydrophobicContact CB-CE2 3.56Å; K81-F83 HydrophobicContact CB-CZ 4.2Å; F83-D91 HydrophobicContact CB-CB 4.4Å; F83-D91 HydrophobicContact CD1-CB 4.24Å; F83-V92 CarbonylContact C-O 3.53Å; F83-V92 VanDerWaalsContact CA-O 3.22Å; F83-V92 WeakPolarHBondContact CA-O 3.47Å; F83-L93 HydrophobicContact CD1-CB 3.95Å; F83-L93 HydrophobicContact CD1-CD1 4.24Å; F83-L93 HydrophobicContact CD2-CD1 4.31Å; F83-L93 HydrophobicContact CE1-CB 3.69Å; F83-L93 HydrophobicContact CE1-CD1 3.9Å; F83-L93 HydrophobicContact CE1-CG 4.37Å; F83-L93 HydrophobicContact CE2-CD1 3.99Å; F83-L93 HydrophobicContact CG-CD1 4.43Å; F83-L93 HydrophobicContact CZ-CB 4.37Å; F83-L93 HydrophobicContact CZ-CD1 3.77Å
84	N	91.3	Very high	86.4	Confident	7 Å²	7	49.2 Å²	49.2	4%	0.037	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	120	165.9	-172.8	21.2	0	0	0	109.3	D38 L39 F86 D91 V92 I94	D38-N84 PolarHBondContact N-OD1 2.86Å; D38-N84 PolarHBondContact O-OD1 2.98Å; L39-N84 HydrophobicContact CD2-CB 3.86Å; N84-F86 HydrophobicContact CB-CE2 4.17Å; N84-F86 WeakPolarHBondContact ND2-CZ 3.2Å; N84-F86 WeakPolarHBondContact O-CD2 3.33Å; N84-D91 CarbonylContact O-C 3.45Å; N84-D91 WeakPolarHBondContact O-CA 3.39Å; N84-V92 PolarHBondContact N-O 3.22Å; N84-V92 PolarHBondContact O-N 3.43Å; N84-I94 HydrophobicContact CB-CD1 3.77Å; N84-I94 HydrophobicContact CB-CG1 3.87Å
85	H	90.2	Very high	87	Confident	56 Å²	56	49.2 Å²	49.2	26%	0.259	25%	0.25	S	C	.	.			trans	-85.4	133.7	-176.6	177.4	59.6	0	0	0	111.3	D38 F40 V55 D91	D38-H85 HydrophobicContact CB-CB 4.3Å; D38-H85 VanDerWaalsContact O-CB 3.3Å; D38-H85 WeakPolarHBondContact O-CB 3.32Å; D38-H85 PolarHBondContact O-N 2.72Å; F40-H85 HydrophobicContact CD1-CB 3.97Å; F40-H85 HydrophobicContact CE1-CB 4Å; V55-H85 HydrophobicContact CG1-CB 4.01Å; V55-H85 HydrophobicContact CG2-CB 4.23Å; H85-D91 VanDerWaalsContact CA-OD1 3.3Å; H85-D91 WeakPolarHBondContact CA-OD1 3.46Å; H85-D91 IonicContact CE1-OD1 3.54Å; H85-D91 IonicContact CG-OD1 3.79Å; H85-D91 IonicContact ND1-OD1 3.34Å; H85-D91 PolarHBondContact ND1-OD1 3.36Å; H85-D91 IonicContact ND1-OD2 3.76Å
86	F	81.2	Confident	87.6	Confident	73 Å²	73	44.2 Å²	44.2	32%	0.32	23%	0.229	S	C	.	.			trans	-116.5	136.4	173.9	-66.7	-90.8	0	0	0	109.5	N84 L88 P90 V92	N84-F86 HydrophobicContact CB-CE2 4.17Å; N84-F86 WeakPolarHBondContact ND2-CZ 3.2Å; N84-F86 WeakPolarHBondContact O-CD2 3.33Å; F86-L88 VanDerWaalsContact C-N 3.25Å; F86-L88 PolarHBondContact O-N 2.96Å; F86-P90 WeakPolarHBondContact CD2-O 3.45Å; F86-V92 HydrophobicContact CD2-CG2 4.05Å; F86-V92 HydrophobicContact CE2-CB 3.98Å; F86-V92 HydrophobicContact CE2-CG2 3.52Å; F86-V92 HydrophobicContact CZ-CG2 4.44Å
87	K	74.5	Confident	87.9	Confident	172 Å²	172	44.3 Å²	44.3	75%	0.748	23%	0.23	S	C	*	.	S	Bend	trans	-65.8	-32.6	178	-75.1	-174.7	178.6	-179.8	0	112.6
88	L	56.5	Low	88	Confident	137 Å²	137	41.7 Å²	41.7	72%	0.717	22%	0.22	S	C	*	.	S	Bend	trans	-133.8	103.2	179.5	-75	139.5	0	0	0	105.3	F86 Y553	F86-L88 VanDerWaalsContact C-N 3.25Å; F86-L88 PolarHBondContact O-N 2.96Å; L88-Y553 WeakPolarHBondContact CD2-OH 3.31Å
89	G	69.1	Low	87.9	Confident	36 Å²	36	41.8 Å²	41.8	37%	0.371	22%	0.22	S	C	.	.	S	Bend	trans	128.4	165.1	-173.9	0	0	0	0	0	112.9
90	P	74.3	Confident	87.7	Confident	51 Å²	51	44 Å²	44	33%	0.331	23%	0.233	S	C	.	.	P	Polyproline II helix	trans	-71.5	150.9	178.2	29.5	-33.9	0	0	0	111.7	F86 V92	F86-P90 WeakPolarHBondContact CD2-O 3.45Å; P90-V92 PolarHBondContact O-N 3.03Å
91	D	88.6	Confident	87.3	Confident	55 Å²	55	44 Å²	44	29%	0.294	23%	0.233	S	C	.	.	P	Polyproline II helix	trans	-65.4	129.8	169.7	-66.4	-22.3	0	0	0	109.4	F40 K52 F83 N84 H85	F40-D91 HydrophobicContact CE1-CB 3.89Å; F40-D91 VanDerWaalsContact CE1-CG 3.44Å; F40-D91 WeakPolarHBondContact CE1-OD2 3.39Å; F40-D91 HydrophobicContact CZ-CB 3.84Å; F40-D91 WeakPolarHBondContact CZ-OD2 3.3Å; K52-D91 IonicContact NZ-OD2 3.65Å; K52-D91 PolarHBondContact NZ-OD2 2.98Å; F83-D91 HydrophobicContact CB-CB 4.4Å; F83-D91 HydrophobicContact CD1-CB 4.24Å; N84-D91 CarbonylContact O-C 3.45Å; N84-D91 WeakPolarHBondContact O-CA 3.39Å; H85-D91 VanDerWaalsContact CA-OD1 3.3Å; H85-D91 WeakPolarHBondContact CA-OD1 3.46Å; H85-D91 IonicContact CE1-OD1 3.54Å; H85-D91 IonicContact CG-OD1 3.79Å; H85-D91 IonicContact ND1-OD1 3.34Å; H85-D91 PolarHBondContact ND1-OD1 3.36Å; H85-D91 IonicContact ND1-OD2 3.76Å
92	V	86.5	Confident	86.8	Confident	52 Å²	52	42.5 Å²	42.5	32%	0.315	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	123.2	-176.4	176.1	0	0	0	0	110.2	F83 N84 F86 P90 I94	F83-V92 CarbonylContact C-O 3.53Å; F83-V92 VanDerWaalsContact CA-O 3.22Å; F83-V92 WeakPolarHBondContact CA-O 3.47Å; N84-V92 PolarHBondContact N-O 3.22Å; N84-V92 PolarHBondContact O-N 3.43Å; F86-V92 HydrophobicContact CD2-CG2 4.05Å; F86-V92 HydrophobicContact CE2-CB 3.98Å; F86-V92 HydrophobicContact CE2-CG2 3.52Å; F86-V92 HydrophobicContact CZ-CG2 4.44Å; P90-V92 PolarHBondContact O-N 3.03Å; V92-I94 HydrophobicContact CG1-CD1 4.38Å; V92-I94 PolarHBondContact O-N 2.85Å
93	L	91.9	Very high	86.3	Confident	66 Å²	66	45.5 Å²	45.5	35%	0.346	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	120.5	173.9	-179.7	65.9	0	0	0	110.1	K81 F83 V96	K81-L93 HydrophobicContact CB-CD1 3.81Å; K81-L93 HydrophobicContact CG-CD1 4.42Å; F83-L93 HydrophobicContact CD1-CB 3.95Å; F83-L93 HydrophobicContact CD1-CD1 4.24Å; F83-L93 HydrophobicContact CD2-CD1 4.31Å; F83-L93 HydrophobicContact CE1-CB 3.69Å; F83-L93 HydrophobicContact CE1-CD1 3.9Å; F83-L93 HydrophobicContact CE1-CG 4.37Å; F83-L93 HydrophobicContact CE2-CD1 3.99Å; F83-L93 HydrophobicContact CG-CD1 4.43Å; F83-L93 HydrophobicContact CZ-CB 4.37Å; F83-L93 HydrophobicContact CZ-CD1 3.77Å; L93-V96 HydrophobicContact CD1-CG2 4.15Å; L93-V96 HydrophobicContact CD2-CG2 3.98Å; L93-V96 HydrophobicContact CG-CG2 4.47Å
94	I	91.2	Very high	86	Confident	10 Å²	10	44 Å²	44	5%	0.051	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	-49.9	178.8	-58.1	-59.4	0	0	0	110.8	F25 L39 W60 V82 N84 V92 Q123	F25-I94 HydrophobicContact CD1-CG2 3.98Å; F25-I94 HydrophobicContact CE1-CB 4.37Å; F25-I94 HydrophobicContact CE1-CG2 3.4Å; F25-I94 HydrophobicContact CZ-CG2 3.96Å; L39-I94 HydrophobicContact CD2-CG1 4.26Å; W60-I94 HydrophobicContact CH2-CD1 4.37Å; W60-I94 HydrophobicContact CZ3-CD1 4.46Å; W60-I94 HydrophobicContact CZ3-CG2 4.37Å; V82-I94 WeakPolarHBondContact O-CB 3.28Å; V82-I94 PolarHBondContact O-N 3.42Å; N84-I94 HydrophobicContact CB-CD1 3.77Å; N84-I94 HydrophobicContact CB-CG1 3.87Å; V92-I94 HydrophobicContact CG1-CD1 4.38Å; V92-I94 PolarHBondContact O-N 2.85Å; I94-Q123 WeakPolarHBondContact O-CB 3.25Å; I94-Q123 WeakPolarHBondContact O-CG 3.38Å
95	A	93.6	Very high	85.8	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.3	160.6	-177	0	0	0	0	0	112.7	F25 V82 L121 F122 K128	F25-A95 HydrophobicContact CE1-CB 4.1Å; V82-A95 PolarHBondContact N-O 3.26Å; V82-A95 PolarHBondContact O-N 3.28Å; A95-L121 HydrophobicContact CB-CB 3.76Å; A95-L121 HydrophobicContact CB-CD2 4.14Å; A95-L121 HydrophobicContact CB-CG 4.42Å; A95-F122 CarbonylContact C-O 3.52Å; A95-F122 VanDerWaalsContact CA-O 3.28Å; A95-F122 WeakPolarHBondContact CA-O 3.5Å; A95-K128 HydrophobicContact CB-CB 3.96Å; A95-K128 HydrophobicContact CB-CG 4.18Å
96	V	95	Very high	85.4	Confident	19 Å²	19	45.3 Å²	45.3	12%	0.115	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	142	179.1	-173.3	0	0	0	0	110	I80 K81 L93 F122	I80-V96 CarbonylContact O-C 3.58Å; I80-V96 WeakPolarHBondContact O-CA 3.37Å; K81-V96 HydrophobicContact CG-CG1 4.15Å; K81-V96 HydrophobicContact CG-CG2 4.04Å; L93-V96 HydrophobicContact CD1-CG2 4.15Å; L93-V96 HydrophobicContact CD2-CG2 3.98Å; L93-V96 HydrophobicContact CG-CG2 4.47Å; V96-F122 PolarHBondContact N-O 3.33Å; V96-F122 PolarHBondContact O-N 2.82Å
97	A	95.7	Very high	85.6	Confident	2 Å²	2	47 Å²	47	2%	0.017	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	145.6	163.5	0	0	0	0	0	109	Q79 I80 L119 L121 V131	Q79-A97 CarbonylContact C-O 3.52Å; Q79-A97 WeakPolarHBondContact CA-O 3.35Å; I80-A97 PolarHBondContact N-O 3.41Å; I80-A97 PolarHBondContact O-N 3.38Å; A97-L119 HydrophobicContact CB-CB 3.88Å; A97-L119 HydrophobicContact CB-CD1 4.14Å; A97-L121 HydrophobicContact CB-CD2 3.82Å; A97-V131 HydrophobicContact CB-CG1 3.82Å
98	A	93.5	Very high	86.1	Confident	19 Å²	19	41.8 Å²	41.8	16%	0.157	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	148.4	176.9	0	0	0	0	0	110.7	I78 Q79	I78-A98 CarbonylContact O-C 3.52Å; I78-A98 WeakPolarHBondContact O-CA 3.36Å; Q79-A98 HydrophobicContact CG-CB 4.21Å
99	I	92.3	Very high	87.3	Confident	2 Å²	2	41.8 Å²	41.8	1%	0.01	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	125.1	177.3	-53.3	172.1	0	0	0	107.6	I77 I78 I104 L117 L119	I77-I99 CarbonylContact C-O 3.39Å; I77-I99 WeakPolarHBondContact CA-O 3.3Å; I78-I99 HydrophobicContact CB-CB 4.19Å; I78-I99 HydrophobicContact CB-CD1 4.35Å; I78-I99 HydrophobicContact CG2-CD1 4.43Å; I78-I99 PolarHBondContact N-O 3.07Å; I78-I99 PolarHBondContact O-N 3.27Å; I99-I104 HydrophobicContact CG2-CD1 3.33Å; I99-I104 HydrophobicContact CG2-CG1 3.99Å; I99-L117 HydrophobicContact CD1-CD1 4.12Å; I99-L119 HydrophobicContact CD1-CD1 3.52Å; I99-L119 HydrophobicContact CD1-CD2 4.41Å; I99-L119 HydrophobicContact CG1-CD1 3.37Å; I99-L119 HydrophobicContact CG1-CD2 3.93Å; I99-L119 HydrophobicContact CG1-CG 4.29Å
100	N	90.9	Very high	87.8	Confident	72 Å²	72	40.1 Å²	40.1	39%	0.385	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	110.3	160.5	-174.3	-22.5	0	0	0	108.1	F102 S103	N100-F102 PolarHBondContact O-N 3.41Å; N100-F102 WeakPolarHBondContact OD1-CB 3.48Å; N100-F102 PolarHBondContact OD1-N 3.21Å; N100-S103 PolarHBondContact O-N 3.47Å
101	L	90.2	Very high	88.3	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-62.9	-28.9	-175.5	-169.2	60.8	0	0	0	112	L16 A72 S73 S76 I78 S103 I104 L105 L112 L135 L138	L16-L101 HydrophobicContact CD2-CD1 4.2Å; L16-L101 HydrophobicContact CD2-CD2 4.14Å; A72-L101 HydrophobicContact CB-CD2 3.88Å; S73-L101 WeakPolarHBondContact O-CD2 3.35Å; S76-L101 WeakPolarHBondContact O-CB 3.14Å; S76-L101 PolarHBondContact O-N 3.3Å; I78-L101 HydrophobicContact CD1-CD1 4.13Å; L101-S103 PolarHBondContact O-N 3.25Å; L101-I104 PolarHBondContact O-N 3.02Å; L101-L105 HydrophobicContact CD2-CD1 4.41Å; L101-L105 HydrophobicContact CG-CD1 3.92Å; L101-L105 HydrophobicContact CG-CG 4.23Å; L101-L105 WeakPolarHBondContact O-CB 3.37Å; L101-L105 VanDerWaalsContact O-CG 3.31Å; L101-L105 WeakPolarHBondContact O-CG 3.48Å; L101-L105 PolarHBondContact O-N 2.99Å; L101-L112 HydrophobicContact CD1-CD1 3.76Å; L101-L135 HydrophobicContact CD1-CD1 4.11Å; L101-L138 HydrophobicContact CD1-CD2 4.34Å; L101-L138 HydrophobicContact CD2-CD2 3.98Å; L101-L138 HydrophobicContact CG-CD2 4.41Å
102	F	86.8	Confident	88.2	Confident	29 Å²	29	39.3 Å²	39.3	13%	0.127	21%	0.211	C	C	.	.	H	α-helix	trans	-59.7	-46.6	178.7	-173.9	-117.1	0	0	0	112.1	P74 N100 I104 L105 I106 L145	P74-F102 WeakPolarHBondContact O-CA 3.46Å; P74-F102 VanDerWaalsContact O-CB 3.27Å; P74-F102 WeakPolarHBondContact O-CB 3.32Å; P74-F102 PolarHBondContact O-N 2.8Å; P74-F102 VanDerWaalsContact O-N 3.16Å; N100-F102 PolarHBondContact O-N 3.41Å; N100-F102 WeakPolarHBondContact OD1-CB 3.48Å; N100-F102 PolarHBondContact OD1-N 3.21Å; F102-I104 VanDerWaalsContact C-N 3.28Å; F102-I104 PolarHBondContact O-N 3.35Å; F102-L105 PolarHBondContact O-N 2.95Å; F102-I106 HydrophobicContact CD1-CD1 3.87Å; F102-I106 HydrophobicContact CE1-CD1 3.35Å; F102-I106 HydrophobicContact CE1-CG1 4.39Å; F102-I106 HydrophobicContact CE2-CD1 4.04Å; F102-I106 HydrophobicContact CE2-CG1 4.29Å; F102-I106 HydrophobicContact CG-CD1 4.44Å; F102-I106 HydrophobicContact CZ-CD1 3.47Å; F102-I106 VanDerWaalsContact CZ-CD1 3.47Å; F102-I106 HydrophobicContact CZ-CG1 4.19Å; F102-I106 WeakPolarHBondContact O-CG1 3.39Å; F102-I106 PolarHBondContact O-N 3.16Å; F102-L145 HydrophobicContact CD2-CD1 4.48Å; F102-L145 HydrophobicContact CE2-CB 3.71Å; F102-L145 HydrophobicContact CE2-CD1 4.06Å; F102-L145 HydrophobicContact CE2-CG 4.37Å; F102-L145 HydrophobicContact CZ-CB 4.31Å
103	S	85.4	Confident	88.3	Confident	64 Å²	64	41 Å²	41	45%	0.448	23%	0.225	S	C	.	.	H	α-helix	trans	-60.6	-39.9	-179.7	-53.9	0	0	0	0	111.7	N100 L101 E107	N100-S103 PolarHBondContact O-N 3.47Å; L101-S103 PolarHBondContact O-N 3.25Å; S103-E107 PolarHBondContact O-N 3.44Å
104	I	88	Confident	88.2	Confident	3 Å²	3	44.2 Å²	44.2	2%	0.015	24%	0.237	C	C	.	.	H	α-helix	trans	-75.6	-37.2	179.9	-53.9	-160.3	0	0	0	111.3	I99 L101 F102 I106 E107 H108 L112 L117 L135	I99-I104 HydrophobicContact CG2-CD1 3.33Å; I99-I104 HydrophobicContact CG2-CG1 3.99Å; L101-I104 PolarHBondContact O-N 3.02Å; F102-I104 VanDerWaalsContact C-N 3.28Å; F102-I104 PolarHBondContact O-N 3.35Å; I104-I106 VanDerWaalsContact C-N 3.33Å; I104-I106 PolarHBondContact O-N 2.95Å; I104-E107 PolarHBondContact O-N 3.25Å; I104-H108 WeakPolarHBondContact O-CB 3.48Å; I104-H108 PolarHBondContact O-CD2 3.03Å; I104-H108 PolarHBondContact O-N 2.95Å; I104-L112 HydrophobicContact CG2-CD1 4.45Å; I104-L112 HydrophobicContact CG2-CD2 3.78Å; I104-L117 HydrophobicContact CD1-CD1 3.24Å; I104-L117 HydrophobicContact CD1-CD2 3.78Å; I104-L117 HydrophobicContact CD1-CG 4.14Å; I104-L135 HydrophobicContact CD1-CD1 4.41Å; I104-L135 HydrophobicContact CG2-CD1 4.48Å
105	L	87.2	Confident	88.3	Confident	1 Å²	1	44.2 Å²	44.2	1%	0.005	24%	0.237	C	C	.	.	H	α-helix	trans	-61.8	-41.6	175	-79.7	168.1	0	0	0	111.8	P74 L101 F102 H108 N109 G110 L112 L138 M140	P74-L105 HydrophobicContact CB-CD1 3.75Å; L101-L105 HydrophobicContact CD2-CD1 4.41Å; L101-L105 HydrophobicContact CG-CD1 3.92Å; L101-L105 HydrophobicContact CG-CG 4.23Å; L101-L105 WeakPolarHBondContact O-CB 3.37Å; L101-L105 VanDerWaalsContact O-CG 3.31Å; L101-L105 WeakPolarHBondContact O-CG 3.48Å; L101-L105 PolarHBondContact O-N 2.99Å; F102-L105 PolarHBondContact O-N 2.95Å; L105-H108 CarbonylContact O-C 3.59Å; L105-H108 PolarHBondContact O-N 3.23Å; L105-N109 PolarHBondContact O-N 2.97Å; L105-N109 VanDerWaalsContact O-N 3.12Å; L105-G110 PolarHBondContact O-N 3.29Å; L105-L112 HydrophobicContact CD2-CD1 4.35Å; L105-L112 HydrophobicContact CD2-CG 4.22Å; L105-L138 HydrophobicContact CD1-CD2 4.39Å; L105-L138 HydrophobicContact CD2-CD2 3.73Å; L105-L138 HydrophobicContact CD2-CG 4.43Å; L105-L138 HydrophobicContact CG-CD2 4.36Å; L105-M140 HydrophobicContact CD1-SD 4.09Å; L105-M140 HydrophobicContact CD2-SD 4.5Å
106	I	82.1	Confident	88.3	Confident	88 Å²	88	51 Å²	51	45%	0.451	27%	0.267	S	S	.	.	H	α-helix	trans	-60.1	-50.7	174	-72.1	174.6	0	0	0	110.2	F102 I104 H108 N109 V142	F102-I106 HydrophobicContact CD1-CD1 3.87Å; F102-I106 HydrophobicContact CE1-CD1 3.35Å; F102-I106 HydrophobicContact CE1-CG1 4.39Å; F102-I106 HydrophobicContact CE2-CD1 4.04Å; F102-I106 HydrophobicContact CE2-CG1 4.29Å; F102-I106 HydrophobicContact CG-CD1 4.44Å; F102-I106 HydrophobicContact CZ-CD1 3.47Å; F102-I106 VanDerWaalsContact CZ-CD1 3.47Å; F102-I106 HydrophobicContact CZ-CG1 4.19Å; F102-I106 WeakPolarHBondContact O-CG1 3.39Å; F102-I106 PolarHBondContact O-N 3.16Å; I104-I106 VanDerWaalsContact C-N 3.33Å; I104-I106 PolarHBondContact O-N 2.95Å; I106-H108 PolarHBondContact O-N 3.45Å; I106-N109 PolarHBondContact O-N 3.45Å; I106-V142 HydrophobicContact CG1-CG1 4.28Å
107	E	84	Confident	88.2	Confident	108 Å²	108	50.3 Å²	50.3	51%	0.505	26%	0.262	S	S	.	.	H	α-helix	trans	-59.4	-30.8	-178.2	-170	177.6	-179	0	0	112.8	S103 I104	S103-E107 PolarHBondContact O-N 3.44Å; I104-E107 PolarHBondContact O-N 3.25Å
108	H	84.7	Confident	88.1	Confident	64 Å²	64	54.8 Å²	54.8	30%	0.296	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107	19.2	-177.2	-73.5	-82.2	0	0	0	114.6	I104 L105 I106 G110 I111 L112 C115	I104-H108 WeakPolarHBondContact O-CB 3.48Å; I104-H108 PolarHBondContact O-CD2 3.03Å; I104-H108 PolarHBondContact O-N 2.95Å; L105-H108 CarbonylContact O-C 3.59Å; L105-H108 PolarHBondContact O-N 3.23Å; I106-H108 PolarHBondContact O-N 3.45Å; H108-G110 PolarHBondContact O-N 2.87Å; H108-I111 PolarHBondContact O-N 3.45Å; H108-I111 VanDerWaalsContact O-N 3.07Å; H108-L112 HydrophobicContact CB-CD2 3.67Å; H108-C115 PolarHBondContact NE2-SG 3.48Å
109	N	82.7	Confident	88.2	Confident	137 Å²	137	54 Å²	54	73%	0.733	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.3	35.5	-179.5	-68.8	-31.7	0	0	0	113.3	L105 I106 I111	L105-N109 PolarHBondContact O-N 2.97Å; L105-N109 VanDerWaalsContact O-N 3.12Å; I106-N109 PolarHBondContact O-N 3.45Å; N109-I111 VanDerWaalsContact C-N 3.29Å; N109-I111 PolarHBondContact O-N 3.5Å
110	G	79.5	Confident	88.3	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	82.4	0.4	174.3	0	0	0	0	0	115.3	L105 H108 N139 M140	L105-G110 PolarHBondContact O-N 3.29Å; H108-G110 PolarHBondContact O-N 2.87Å; G110-N139 WeakPolarHBondContact O-CA 3.01Å; G110-M140 WeakPolarHBondContact CA-O 3.41Å; G110-M140 PolarHBondContact O-N 3.01Å
111	I	84.3	Confident	88.4	Confident	89 Å²	89	51.7 Å²	51.7	46%	0.456	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	107.5	-175.4	-55.6	175.6	0	0	0	109.8	H108 N109	H108-I111 PolarHBondContact O-N 3.45Å; H108-I111 VanDerWaalsContact O-N 3.07Å; N109-I111 VanDerWaalsContact C-N 3.29Å; N109-I111 PolarHBondContact O-N 3.5Å
112	L	87.6	Confident	88.5	Confident	1 Å²	1	54 Å²	54	1%	0.005	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	98.7	172	-49.2	-178.5	0	0	0	109.6	L16 L101 I104 L105 H108 C115 L135 D136 K137 L138	L16-L112 HydrophobicContact CD1-CD1 4.39Å; L101-L112 HydrophobicContact CD1-CD1 3.76Å; I104-L112 HydrophobicContact CG2-CD1 4.45Å; I104-L112 HydrophobicContact CG2-CD2 3.78Å; L105-L112 HydrophobicContact CD2-CD1 4.35Å; L105-L112 HydrophobicContact CD2-CG 4.22Å; H108-L112 HydrophobicContact CB-CD2 3.67Å; L112-C115 HydrophobicContact CB-CB 4.44Å; L112-C115 HydrophobicContact CD2-CB 4.36Å; L112-L135 HydrophobicContact CB-CB 4.29Å; L112-L135 HydrophobicContact CD1-CB 4.04Å; L112-L135 HydrophobicContact CD1-CD1 3.81Å; L112-D136 CarbonylContact O-C 3.55Å; L112-D136 WeakPolarHBondContact O-CA 3.2Å; L112-K137 PolarHBondContact O-N 3.43Å; L112-K137 VanDerWaalsContact O-N 3.08Å; L112-L138 HydrophobicContact CB-CB 4.04Å; L112-L138 HydrophobicContact CD1-CB 4.34Å; L112-L138 HydrophobicContact CD1-CD2 3.75Å; L112-L138 HydrophobicContact CG-CB 4.31Å; L112-L138 HydrophobicContact CG-CD2 4.29Å; L112-L138 PolarHBondContact N-O 3.19Å; L112-L138 PolarHBondContact O-N 2.91Å
113	S	88.5	Confident	88.5	Confident	87 Å²	87	57 Å²	57	61%	0.608	29%	0.286	S	S	*	.	S	Bend	trans	-117.6	104.9	175.2	-179.3	0	0	0	0	109.5	C115 D136	S113-C115 PolarHBondContact O-N 3.47Å; S113-C115 VanDerWaalsContact O-N 3.08Å; S113-D136 WeakPolarHBondContact CA-OD1 3.46Å
114	K	90	Very high	88.4	Confident	134 Å²	134	56.7 Å²	56.7	58%	0.583	29%	0.294	S	S	*	.	S	Bend	trans	47.3	35.8	-174.7	-58.4	179.9	-178.4	174.9	0	113.7	K116 M134 L135 D136	K114-K116 PolarHBondContact O-N 2.84Å; K114-M134 HydrophobicContact CB-CG 4.38Å; K114-M134 HydrophobicContact CB-SD 3.82Å; K114-M134 HydrophobicContact CG-SD 4.08Å; K114-L135 CarbonylContact C-O 3.52Å; K114-L135 WeakPolarHBondContact CA-O 3.42Å; K114-L135 PolarHBondContact N-O 3.06Å; K114-D136 WeakPolarHBondContact CG-OD2 3.35Å; K114-D136 PolarHBondContact N-OD1 2.94Å
115	C	91.9	Very high	88	Confident	10 Å²	10	62.6 Å²	62.6	7%	0.068	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	123.1	177.6	172.9	0	0	0	0	109	H108 L112 S113 M134 L135	H108-C115 PolarHBondContact NE2-SG 3.48Å; L112-C115 HydrophobicContact CB-CB 4.44Å; L112-C115 HydrophobicContact CD2-CB 4.36Å; S113-C115 PolarHBondContact O-N 3.47Å; S113-C115 VanDerWaalsContact O-N 3.08Å; C115-M134 CarbonylContact O-C 3.52Å; C115-M134 WeakPolarHBondContact O-CA 3.37Å; C115-M134 WeakPolarHBondContact O-CG 3.03Å; C115-L135 HydrophobicContact CB-CB 4.38Å; C115-L135 PolarHBondContact N-O 3.4Å; C115-L135 PolarHBondContact O-N 3.01Å
116	K	93.4	Very high	87.7	Confident	142 Å²	142	67 Å²	67	62%	0.617	36%	0.357	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.7	128.8	-177.7	-65.1	177.1	-171.3	168.8	0	109.3	K114 M134	K114-K116 PolarHBondContact O-N 2.84Å; K116-M134 HydrophobicContact CG-CE 4.22Å; K116-M134 HydrophobicContact CG-CG 4.47Å
117	L	93.4	Very high	88	Confident	4 Å²	4	68 Å²	68	2%	0.021	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	136.3	-178.7	-59.6	170.6	0	0	0	109.7	I99 I104 L119 F132 V133 L135	I99-L117 HydrophobicContact CD1-CD1 4.12Å; I104-L117 HydrophobicContact CD1-CD1 3.24Å; I104-L117 HydrophobicContact CD1-CD2 3.78Å; I104-L117 HydrophobicContact CD1-CG 4.14Å; L117-L119 HydrophobicContact CB-CD2 4.2Å; L117-L119 HydrophobicContact CB-CG 4.47Å; L117-F132 WeakPolarHBondContact O-CA 3.38Å; L117-V133 PolarHBondContact N-O 3.26Å; L117-V133 PolarHBondContact O-N 2.8Å; L117-L135 HydrophobicContact CD1-CD1 3.49Å; L117-L135 VanDerWaalsContact CD1-CD1 3.49Å; L117-L135 HydrophobicContact CD1-CG 3.8Å
118	R	94.5	Very high	88.3	Confident	97 Å²	97	63.9 Å²	63.9	37%	0.366	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	113.5	166.6	-175.8	-177.8	-174.8	-179.7	-1.7	107.3	S130 F132	R118-S130 PolarHBondContact NE-OG 3.12Å; R118-S130 PolarHBondContact NH2-OG 3.11Å; R118-F132 HydrophobicContact CB-CD1 4.05Å; R118-F132 HydrophobicContact CB-CE1 3.86Å; R118-F132 HydrophobicContact CG-CD1 4.12Å; R118-F132 HydrophobicContact CG-CE1 3.67Å; R118-F132 HydrophobicContact CG-CE2 4.47Å; R118-F132 HydrophobicContact CG-CZ 3.86Å
119	L	94.2	Very high	88.7	Confident	2 Å²	2	61 Å²	61	1%	0.01	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	139	-177.7	-51.7	173.6	0	0	0	109.7	I80 A97 I99 L117 S130 V131 V133 T185	I80-L119 HydrophobicContact CD1-CD1 4.21Å; A97-L119 HydrophobicContact CB-CB 3.88Å; A97-L119 HydrophobicContact CB-CD1 4.14Å; I99-L119 HydrophobicContact CD1-CD1 3.52Å; I99-L119 HydrophobicContact CD1-CD2 4.41Å; I99-L119 HydrophobicContact CG1-CD1 3.37Å; I99-L119 HydrophobicContact CG1-CD2 3.93Å; I99-L119 HydrophobicContact CG1-CG 4.29Å; L117-L119 HydrophobicContact CB-CD2 4.2Å; L117-L119 HydrophobicContact CB-CG 4.47Å; L119-S130 CarbonylContact O-C 3.6Å; L119-S130 WeakPolarHBondContact O-CA 3.43Å; L119-S130 VanDerWaalsContact O-CB 3.28Å; L119-S130 WeakPolarHBondContact O-CB 3.4Å; L119-V131 HydrophobicContact CB-CG1 3.87Å; L119-V131 HydrophobicContact CD1-CG1 4.25Å; L119-V131 HydrophobicContact CG-CG1 4.48Å; L119-V131 PolarHBondContact N-O 2.87Å; L119-V131 PolarHBondContact O-N 3.47Å; L119-V133 HydrophobicContact CD1-CG2 3.48Å; L119-V133 VanDerWaalsContact CD1-CG2 3.48Å; L119-V133 HydrophobicContact CG-CG2 3.94Å; L119-T185 HydrophobicContact CD2-CG2 4.15Å
120	S	94.1	Very high	89.3	Confident	25 Å²	25	54.5 Å²	54.5	18%	0.175	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	133.5	171.8	-65.7	0	0	0	0	110
121	L	94.5	Very high	90.1	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	127.9	177.4	-79.3	170.1	0	0	0	109.2	A23 F25 V82 A95 A97 K128 G129 V131	A23-L121 HydrophobicContact CB-CD1 4.17Å; F25-L121 HydrophobicContact CE1-CD1 3.97Å; F25-L121 HydrophobicContact CE2-CD1 4.21Å; F25-L121 HydrophobicContact CZ-CD1 3.66Å; V82-L121 HydrophobicContact CG2-CD1 4.27Å; V82-L121 HydrophobicContact CG2-CD2 3.99Å; A95-L121 HydrophobicContact CB-CB 3.76Å; A95-L121 HydrophobicContact CB-CD2 4.14Å; A95-L121 HydrophobicContact CB-CG 4.42Å; A97-L121 HydrophobicContact CB-CD2 3.82Å; L121-K128 PolarHBondContact O-N 3.01Å; L121-G129 PolarHBondContact N-O 3.45Å; L121-V131 HydrophobicContact CD1-CB 4.02Å; L121-V131 HydrophobicContact CD2-CB 4.28Å; L121-V131 HydrophobicContact CD2-CG1 4.03Å; L121-V131 HydrophobicContact CG-CB 4.11Å; L121-V131 HydrophobicContact CG-CG1 4.11Å
122	F	90.8	Very high	90.7	Very high	49 Å²	49	53.3 Å²	53.3	22%	0.215	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	144.8	-178.6	-66.9	-87.7	0	0	0	112.9	A95 V96 D126 Y127	A95-F122 CarbonylContact C-O 3.52Å; A95-F122 VanDerWaalsContact CA-O 3.28Å; A95-F122 WeakPolarHBondContact CA-O 3.5Å; V96-F122 PolarHBondContact N-O 3.33Å; V96-F122 PolarHBondContact O-N 2.82Å; F122-D126 CarbonylContact C-O 3.37Å; F122-D126 VanDerWaalsContact CA-O 3.24Å; F122-D126 WeakPolarHBondContact CA-O 3.22Å; F122-Y127 HydrophobicContact CE1-CD2 4.24Å; F122-Y127 HydrophobicContact CZ-CD2 4.26Å
123	Q	87.8	Confident	91.1	Very high	91 Å²	91	53.4 Å²	53.4	43%	0.425	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	101.4	164.5	-165	179	15.8	0	0	107.1	I94 C125 D126 K128	I94-Q123 WeakPolarHBondContact O-CB 3.25Å; I94-Q123 WeakPolarHBondContact O-CG 3.38Å; Q123-C125 PolarHBondContact O-N 3Å; Q123-D126 PolarHBondContact N-O 3.28Å; Q123-D126 WeakPolarHBondContact O-CB 3.44Å; Q123-D126 PolarHBondContact O-N 2.75Å; Q123-K128 HydrophobicContact CB-CD 4.29Å; Q123-K128 VanDerWaalsContact CB-CE 3.44Å; Q123-K128 HydrophobicContact CB-CG 3.85Å
124	G	82.6	Confident	91.4	Very high	59 Å²	59	50.4 Å²	50.4	61%	0.608	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.8	-118.9	-165	0	0	0	0	0	110.6
125	C	80	Confident	91.6	Very high	127 Å²	127	44 Å²	44	86%	0.858	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.4	-12	177.1	-48.4	0	0	0	0	113.3	Q123	Q123-C125 PolarHBondContact O-N 3Å
126	D	80.9	Confident	91.7	Very high	94 Å²	94	45 Å²	45	50%	0.503	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	124.8	-172.5	-73.9	-12.7	0	0	0	112	F122 Q123 K128	F122-D126 CarbonylContact C-O 3.37Å; F122-D126 VanDerWaalsContact CA-O 3.24Å; F122-D126 WeakPolarHBondContact CA-O 3.22Å; Q123-D126 PolarHBondContact N-O 3.28Å; Q123-D126 WeakPolarHBondContact O-CB 3.44Å; Q123-D126 PolarHBondContact O-N 2.75Å; D126-K128 PolarHBondContact O-N 2.66Å; D126-K128 IonicContact OD2-NZ 2.89Å; D126-K128 PolarHBondContact OD2-NZ 3.34Å
127	Y	89	Confident	91.3	Very high	108 Å²	108	45 Å²	45	42%	0.424	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	121.6	170.3	177.1	-98	0	0	0	111.3	F122 G129	F122-Y127 HydrophobicContact CE1-CD2 4.24Å; F122-Y127 HydrophobicContact CZ-CD2 4.26Å; Y127-G129 WeakPolarHBondContact CE2-O 3.12Å; Y127-G129 VanDerWaalsContact CZ-O 3.25Å; Y127-G129 PolarHBondContact OH-O 2.86Å
128	K	90.1	Very high	90.8	Very high	22 Å²	22	45 Å²	45	10%	0.096	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	-15.2	-179.4	-61.3	-63.9	170.9	176	0	113.4	F25 S26 C29 A95 L121 Q123 D126	F25-K128 CarbonylContact C-O 3.42Å; F25-K128 VanDerWaalsContact CA-O 3.32Å; F25-K128 WeakPolarHBondContact CA-O 3.43Å; F25-K128 HydrophobicContact CD1-CB 4.04Å; F25-K128 VanDerWaalsContact CD1-O 3.29Å; F25-K128 WeakPolarHBondContact CD1-O 3.44Å; F25-K128 HydrophobicContact CE1-CB 4.13Å; S26-K128 PolarHBondContact N-O 2.95Å; S26-K128 PolarHBondContact OG-O 2.98Å; C29-K128 VanDerWaalsContact SG-CD 3.51Å; C29-K128 PolarHBondContact SG-O 2.87Å; C29-K128 VanDerWaalsContact SG-O 3.41Å; A95-K128 HydrophobicContact CB-CB 3.96Å; A95-K128 HydrophobicContact CB-CG 4.18Å; L121-K128 PolarHBondContact O-N 3.01Å; Q123-K128 HydrophobicContact CB-CD 4.29Å; Q123-K128 VanDerWaalsContact CB-CE 3.44Å; Q123-K128 HydrophobicContact CB-CG 3.85Å; D126-K128 PolarHBondContact O-N 2.66Å; D126-K128 IonicContact OD2-NZ 2.89Å; D126-K128 PolarHBondContact OD2-NZ 3.34Å
129	G	92.4	Very high	90.1	Very high	2 Å²	2	46.2 Å²	46.2	2%	0.021	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	150.4	-152.5	-178.7	0	0	0	0	0	112.9	T24 L121 Y127	T24-G129 CarbonylContact O-C 3.48Å; T24-G129 WeakPolarHBondContact O-CA 3.46Å; L121-G129 PolarHBondContact N-O 3.45Å; Y127-G129 WeakPolarHBondContact CE2-O 3.12Å; Y127-G129 VanDerWaalsContact CZ-O 3.25Å; Y127-G129 PolarHBondContact OH-O 2.86Å
130	S	95.5	Very high	89.1	Confident	1 Å²	1	47.1 Å²	47.1	1%	0.007	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	147.8	177.7	58.2	0	0	0	0	113.1	A23 T24 R118 L119	A23-S130 CarbonylContact C-O 3.59Å; A23-S130 VanDerWaalsContact CA-O 3.31Å; A23-S130 WeakPolarHBondContact CA-O 3.34Å; T24-S130 PolarHBondContact N-O 3.26Å; T24-S130 PolarHBondContact O-N 3.11Å; T24-S130 PolarHBondContact OG1-O 2.9Å; T24-S130 PolarHBondContact OG1-OG 3.1Å; R118-S130 PolarHBondContact NE-OG 3.12Å; R118-S130 PolarHBondContact NH2-OG 3.11Å; L119-S130 CarbonylContact O-C 3.6Å; L119-S130 WeakPolarHBondContact O-CA 3.43Å; L119-S130 VanDerWaalsContact O-CB 3.28Å; L119-S130 WeakPolarHBondContact O-CB 3.4Å
131	V	96.1	Very high	87.6	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	139	170.9	63.3	0	0	0	0	110.2	I20 A23 I80 A97 L119 L121 V133	I20-V131 HydrophobicContact CG2-CG2 4.35Å; A23-V131 HydrophobicContact CB-CB 4.38Å; A23-V131 HydrophobicContact CB-CG2 4.41Å; I80-V131 HydrophobicContact CD1-CG1 4.17Å; I80-V131 HydrophobicContact CD1-CG2 4.46Å; I80-V131 HydrophobicContact CG2-CG2 4.43Å; A97-V131 HydrophobicContact CB-CG1 3.82Å; L119-V131 HydrophobicContact CB-CG1 3.87Å; L119-V131 HydrophobicContact CD1-CG1 4.25Å; L119-V131 HydrophobicContact CG-CG1 4.48Å; L119-V131 PolarHBondContact N-O 2.87Å; L119-V131 PolarHBondContact O-N 3.47Å; L121-V131 HydrophobicContact CD1-CB 4.02Å; L121-V131 HydrophobicContact CD2-CB 4.28Å; L121-V131 HydrophobicContact CD2-CG1 4.03Å; L121-V131 HydrophobicContact CG-CB 4.11Å; L121-V131 HydrophobicContact CG-CG1 4.11Å; V131-V133 HydrophobicContact CG1-CG2 4.48Å
132	F	96.5	Very high	86.1	Confident	65 Å²	65	50.8 Å²	50.8	29%	0.285	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	124	176.4	-67.9	-91.1	0	0	0	110	K21 C22 T24 L117 R118	K21-F132 HydrophobicContact CB-CB 4.26Å; K21-F132 WeakPolarHBondContact CB-O 3.4Å; K21-F132 PolarHBondContact N-O 3.18Å; C22-F132 PolarHBondContact O-N 3.32Å; T24-F132 HydrophobicContact CG2-CE2 4.39Å; L117-F132 WeakPolarHBondContact O-CA 3.38Å; R118-F132 HydrophobicContact CB-CD1 4.05Å; R118-F132 HydrophobicContact CB-CE1 3.86Å; R118-F132 HydrophobicContact CG-CD1 4.12Å; R118-F132 HydrophobicContact CG-CE1 3.67Å; R118-F132 HydrophobicContact CG-CE2 4.47Å; R118-F132 HydrophobicContact CG-CZ 3.86Å
133	V	96.2	Very high	84.2	Confident	2 Å²	2	56.5 Å²	56.5	1%	0.012	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	151.2	-178.4	-127.4	0	0	0	0	110	I18 T19 I20 I80 L117 L119 V131	I18-V133 HydrophobicContact CG2-CG1 3.83Å; T19-V133 CarbonylContact O-C 3.45Å; T19-V133 WeakPolarHBondContact O-CA 3.41Å; T19-V133 WeakPolarHBondContact O-CG1 3.16Å; I20-V133 HydrophobicContact CG1-CG1 4.33Å; I80-V133 HydrophobicContact CD1-CB 4.34Å; I80-V133 HydrophobicContact CD1-CG1 3.68Å; I80-V133 HydrophobicContact CD1-CG2 3.63Å; L117-V133 PolarHBondContact N-O 3.26Å; L117-V133 PolarHBondContact O-N 2.8Å; L119-V133 HydrophobicContact CD1-CG2 3.48Å; L119-V133 VanDerWaalsContact CD1-CG2 3.48Å; L119-V133 HydrophobicContact CG-CG2 3.94Å; V131-V133 HydrophobicContact CG1-CG2 4.48Å
134	M	95.7	Very high	82.3	Confident	25 Å²	25	55.6 Å²	55.6	12%	0.123	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	128.6	170.1	-170.6	-172.9	-59.6	0	0	110	I18 T19 K21 K114 C115 K116	I18-M134 WeakPolarHBondContact CA-O 3.3Å; T19-M134 PolarHBondContact N-O 3.19Å; T19-M134 PolarHBondContact O-N 2.79Å; K21-M134 HydrophobicContact CD-CE 4.44Å; K114-M134 HydrophobicContact CB-CG 4.38Å; K114-M134 HydrophobicContact CB-SD 3.82Å; K114-M134 HydrophobicContact CG-SD 4.08Å; C115-M134 CarbonylContact O-C 3.52Å; C115-M134 WeakPolarHBondContact O-CA 3.37Å; C115-M134 WeakPolarHBondContact O-CG 3.03Å; K116-M134 HydrophobicContact CG-CE 4.22Å; K116-M134 HydrophobicContact CG-CG 4.47Å
135	L	95	Very high	80.7	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	127.1	173.9	-57	-173.1	0	0	0	108.9	L16 I18 I78 L101 I104 L112 K114 C115 L117	L16-L135 HydrophobicContact CD1-CB 4.1Å; L16-L135 HydrophobicContact CD1-CD2 4.44Å; L16-L135 HydrophobicContact CD2-CD2 4.39Å; I18-L135 HydrophobicContact CB-CD2 4.47Å; I18-L135 HydrophobicContact CG1-CD2 3.92Å; I18-L135 HydrophobicContact CG2-CD2 4.24Å; I78-L135 HydrophobicContact CD1-CD2 4.47Å; L101-L135 HydrophobicContact CD1-CD1 4.11Å; I104-L135 HydrophobicContact CD1-CD1 4.41Å; I104-L135 HydrophobicContact CG2-CD1 4.48Å; L112-L135 HydrophobicContact CB-CB 4.29Å; L112-L135 HydrophobicContact CD1-CB 4.04Å; L112-L135 HydrophobicContact CD1-CD1 3.81Å; K114-L135 CarbonylContact C-O 3.52Å; K114-L135 WeakPolarHBondContact CA-O 3.42Å; K114-L135 PolarHBondContact N-O 3.06Å; C115-L135 HydrophobicContact CB-CB 4.38Å; C115-L135 PolarHBondContact N-O 3.4Å; C115-L135 PolarHBondContact O-N 3.01Å; L117-L135 HydrophobicContact CD1-CD1 3.49Å; L117-L135 VanDerWaalsContact CD1-CD1 3.49Å; L117-L135 HydrophobicContact CD1-CG 3.8Å
136	D	92.1	Very high	79	Confident	29 Å²	29	55.7 Å²	55.7	16%	0.155	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	160.2	-176.8	-160.8	16.1	0	0	0	111.8	V17 L112 S113 K114 L138	V17-D136 HydrophobicContact CB-CB 4.35Å; V17-D136 PolarHBondContact N-O 2.84Å; V17-D136 PolarHBondContact O-N 3.37Å; L112-D136 CarbonylContact O-C 3.55Å; L112-D136 WeakPolarHBondContact O-CA 3.2Å; S113-D136 WeakPolarHBondContact CA-OD1 3.46Å; K114-D136 WeakPolarHBondContact CG-OD2 3.35Å; K114-D136 PolarHBondContact N-OD1 2.94Å; D136-L138 VanDerWaalsContact C-N 3.31Å; D136-L138 PolarHBondContact O-N 3.26Å
137	K	85.7	Confident	77	Confident	144 Å²	144	58.4 Å²	58.4	63%	0.626	29%	0.289	S	S	*	.	S	Bend	trans	62.7	23.2	175	-49.9	-168.1	-174.4	176.9	0	116.6	V17 L112	V17-K137 HydrophobicContact CG2-CB 4.24Å; V17-K137 HydrophobicContact CG2-CD 3.75Å; V17-K137 HydrophobicContact CG2-CG 4.09Å; L112-K137 PolarHBondContact O-N 3.43Å; L112-K137 VanDerWaalsContact O-N 3.08Å
138	L	83.7	Confident	74.5	Confident	3 Å²	3	56.2 Å²	56.2	2%	0.016	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	127.6	172.3	-167.7	69.7	0	0	0	110.3	S14 Q15 L16 L101 L105 L112 D136 M140	S14-L138 VanDerWaalsContact CB-CD1 3.43Å; Q15-L138 WeakPolarHBondContact O-CD1 3.47Å; L16-L138 HydrophobicContact CB-CD1 4.32Å; L16-L138 HydrophobicContact CD1-CB 3.82Å; L16-L138 HydrophobicContact CD1-CD2 4.21Å; L101-L138 HydrophobicContact CD1-CD2 4.34Å; L101-L138 HydrophobicContact CD2-CD2 3.98Å; L101-L138 HydrophobicContact CG-CD2 4.41Å; L105-L138 HydrophobicContact CD1-CD2 4.39Å; L105-L138 HydrophobicContact CD2-CD2 3.73Å; L105-L138 HydrophobicContact CD2-CG 4.43Å; L105-L138 HydrophobicContact CG-CD2 4.36Å; L112-L138 HydrophobicContact CB-CB 4.04Å; L112-L138 HydrophobicContact CD1-CB 4.34Å; L112-L138 HydrophobicContact CD1-CD2 3.75Å; L112-L138 HydrophobicContact CG-CB 4.31Å; L112-L138 HydrophobicContact CG-CD2 4.29Å; L112-L138 PolarHBondContact N-O 3.19Å; L112-L138 PolarHBondContact O-N 2.91Å; D136-L138 VanDerWaalsContact C-N 3.31Å; D136-L138 PolarHBondContact O-N 3.26Å; L138-M140 HydrophobicContact CD1-CG 4.11Å; L138-M140 HydrophobicContact CD1-SD 3.99Å; L138-M140 HydrophobicContact CD2-SD 4.18Å; L138-M140 HydrophobicContact CG-CG 4.07Å; L138-M140 HydrophobicContact CG-SD 4.17Å
139	N	79.3	Confident	71.8	Confident	123 Å²	123	61 Å²	61	66%	0.658	33%	0.326	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138.5	113.7	175.8	-176.6	-3.8	0	0	0	109.1	G110	G110-N139 WeakPolarHBondContact O-CA 3.01Å
140	M	72.9	Confident	68.8	Low	20 Å²	20	68.5 Å²	68.5	10%	0.099	37%	0.366	C	S	.	.			trans	-135.9	142.1	-174.7	-60.1	-169.4	63	0	0	110.3	P74 L105 G110 L138 V142	P74-M140 HydrophobicContact CB-CE 3.6Å; P74-M140 HydrophobicContact CB-SD 4.12Å; P74-M140 HydrophobicContact CG-CE 3.4Å; P74-M140 VanDerWaalsContact CG-CE 3.4Å; P74-M140 HydrophobicContact CG-SD 4.48Å; L105-M140 HydrophobicContact CD1-SD 4.09Å; L105-M140 HydrophobicContact CD2-SD 4.5Å; G110-M140 WeakPolarHBondContact CA-O 3.41Å; G110-M140 PolarHBondContact O-N 3.01Å; L138-M140 HydrophobicContact CD1-CG 4.11Å; L138-M140 HydrophobicContact CD1-SD 3.99Å; L138-M140 HydrophobicContact CD2-SD 4.18Å; L138-M140 HydrophobicContact CG-CG 4.07Å; L138-M140 HydrophobicContact CG-SD 4.17Å; M140-V142 PolarHBondContact O-N 3.3Å
141	C	63.1	Low	65.8	Low	75 Å²	75	75.1 Å²	75.1	51%	0.507	41%	0.405	S	S	.	.			trans	-79.6	116.3	173.9	-167.7	0	0	0	0	109.7
142	V	62.4	Low	62.7	Low	28 Å²	28	82.8 Å²	82.8	17%	0.17	45%	0.446	C	S	.	.			trans	-86.5	-12.9	-176.5	-149.1	0	0	0	0	113.1	I106 M140 N144 L145	I106-V142 HydrophobicContact CG1-CG1 4.28Å; M140-V142 PolarHBondContact O-N 3.3Å; V142-N144 PolarHBondContact O-N 3.46Å; V142-L145 HydrophobicContact CB-CD1 4.48Å; V142-L145 HydrophobicContact CG1-CD1 3.86Å; V142-L145 PolarHBondContact O-N 2.87Å; V142-L145 VanDerWaalsContact O-N 3.17Å
143	Q	52.4	Low	59.6	Low	168 Å²	168	87.1 Å²	87.1	79%	0.785	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-6.4	-167.4	-69.9	-178.4	-15	0	0	115.4
144	N	46.1	Very low	56.4	Low	73 Å²	73	95 Å²	95	39%	0.39	51%	0.514	S	S	.	.	T	Hydrogen-bonded Turn	trans	-127.1	18.6	179.8	-64.9	-10.4	0	0	0	113.2	L9 V142	L9-N144 HydrophobicContact CD1-CB 4.23Å; V142-N144 PolarHBondContact O-N 3.46Å
145	L	49.7	Very low	53.2	Low	21 Å²	21	101.6 Å²	101.6	11%	0.11	55%	0.549	C	S	.	.			trans	-95.6	0.6	-179	-69.7	166.2	0	0	0	114.1	P74 F102 V142 D147	P74-L145 HydrophobicContact CB-CD1 3.96Å; P74-L145 HydrophobicContact CB-CD2 4.17Å; P74-L145 HydrophobicContact CG-CD1 4.42Å; P74-L145 HydrophobicContact CG-CD2 3.86Å; F102-L145 HydrophobicContact CD2-CD1 4.48Å; F102-L145 HydrophobicContact CE2-CB 3.71Å; F102-L145 HydrophobicContact CE2-CD1 4.06Å; F102-L145 HydrophobicContact CE2-CG 4.37Å; F102-L145 HydrophobicContact CZ-CB 4.31Å; V142-L145 HydrophobicContact CB-CD1 4.48Å; V142-L145 HydrophobicContact CG1-CD1 3.86Å; V142-L145 PolarHBondContact O-N 2.87Å; V142-L145 VanDerWaalsContact O-N 3.17Å; L145-D147 VanDerWaalsContact C-N 3.35Å; L145-D147 PolarHBondContact O-N 3.38Å
146	E	43.6	Very low	49.9	Very low	166 Å²	166	107.3 Å²	107.3	78%	0.776	59%	0.586	S	S	*	*			trans	-81.1	-6.9	-173.5	-66.9	-173.8	165.6	0	0	114.6	G148	E146-G148 PolarHBondContact O-N 3.32Å
147	D	39.5	Very low	46.8	Very low	151 Å²	151	115.1 Å²	115.1	81%	0.807	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.6	88.1	176.7	-68.5	-31.8	0	0	0	111.1	L145	L145-D147 VanDerWaalsContact C-N 3.35Å; L145-D147 PolarHBondContact O-N 3.38Å
148	G	37.2	Very low	44.1	Very low	62 Å²	62	114.5 Å²	114.5	64%	0.639	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	161.8	-5.9	166.2	0	0	0	0	0	118.6	E146	E146-G148 PolarHBondContact O-N 3.32Å
149	N	32.4	Very low	41.5	Very low	124 Å²	124	120.1 Å²	120.1	66%	0.663	67%	0.666	S	S	*	*			trans	-104.8	20.3	-174.5	-83.6	-11.3	0	0	0	115.6	V151	N149-V151 PolarHBondContact O-N 2.87Å
150	N	30.9	Very low	39.1	Very low	159 Å²	159	120.1 Å²	120.1	85%	0.85	68%	0.676	S	S	*	*			trans	-99.9	56.3	178	-73.2	-20.5	0	0	0	113.1
151	V	32.1	Very low	37.3	Very low	139 Å²	139	125.1 Å²	125.1	84%	0.842	71%	0.712	S	S	*	*	S	Bend	trans	-141.4	43.6	167.3	-162.5	0	0	0	0	111	N149	N149-V151 PolarHBondContact O-N 2.87Å
152	L	31.2	Very low	35.8	Very low	161 Å²	161	126.5 Å²	126.5	84%	0.843	72%	0.723	S	S	*	*	S	Bend	trans	-133.1	4.5	174.4	-100	156.1	0	0	0	114.8
153	D	30.9	Very low	34.5	Very low	157 Å²	157	132.3 Å²	132.3	84%	0.84	75%	0.753	S	S	*	*	S	Bend	trans	-115.1	13.9	-175.5	-88.4	-19.6	0	0	0	116
154	N	28	Very low	33.4	Very low	168 Å²	168	135.1 Å²	135.1	90%	0.898	76%	0.757	S	S	*	*			trans	-121.9	82.9	176.2	-80.1	-27.8	0	0	0	112.2
155	L	28.2	Very low	32.9	Very low	163 Å²	163	138.9 Å²	138.9	85%	0.853	78%	0.776	S	S	*	*			trans	-125.6	139.1	156.3	-85.7	166	0	0	0	109.4
156	P	27.5	Very low	32.3	Very low	119 Å²	119	144.8 Å²	144.8	77%	0.773	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-72.1	134.6	-169.3	-6.9	22.7	0	0	0	112.2	V158	P156-V158 PolarHBondContact O-N 2.87Å
157	Q	26.4	Very low	32	Very low	193 Å²	193	141.9 Å²	141.9	90%	0.902	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-67.5	124.5	170	-72.4	-177.2	-21.2	0	0	111
158	V	29.5	Very low	31.8	Very low	132 Å²	132	141.5 Å²	141.5	80%	0.8	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-88.2	129.8	167.5	179.9	0	0	0	0	108.9	P156	P156-V158 PolarHBondContact O-N 2.87Å
159	P	28.5	Very low	31.6	Very low	120 Å²	120	143.8 Å²	143.8	78%	0.779	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-80.4	129.4	-176.6	30.2	-30.6	0	0	0	112
160	S	27.9	Very low	31.5	Very low	123 Å²	123	145.8 Å²	145.8	86%	0.86	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-77.7	129.8	172.8	51.8	0	0	0	0	111.7
161	S	35.8	Very low	31.5	Very low	125 Å²	125	146.4 Å²	146.4	87%	0.874	82%	0.817	S	S	*	*			trans	-119.1	136.6	161.1	58.3	0	0	0	0	110.7
162	S	30.8	Very low	31.4	Very low	104 Å²	104	147.5 Å²	147.5	73%	0.727	81%	0.812	S	S	*	*			trans	-94.8	149.3	-168.3	51	0	0	0	0	113.1
163	N	35.4	Very low	31.2	Very low	151 Å²	151	148.7 Å²	148.7	81%	0.807	81%	0.813	S	S	*	*			trans	176.1	107.2	136.6	-86.3	-23.1	0	0	0	108
164	R	30.9	Very low	30.9	Very low	227 Å²	227	152 Å²	152	86%	0.857	81%	0.814	S	S	*	*				92.5	134.3	71.9	-103.4	-166	-170.3	-162.1	4.5	114
165	L	35.2	Very low	30.9	Very low	151 Å²	151	149 Å²	149	79%	0.791	81%	0.806	S	S	*	*			trans	91.8	128.4	167.1	-55	160	0	0	0	115.7
166	D	36.4	Very low	30.8	Very low	146 Å²	146	148.9 Å²	148.9	78%	0.781	80%	0.801	S	S	*	*			cis	-166.9	170.7	-10.8	-115.6	-5.9	0	0	0	108.1
167	P	37.2	Very low	30.9	Very low	104 Å²	104	151.2 Å²	151.2	68%	0.675	80%	0.801	S	S	*	*			trans	-116.4	170.3	-147.2	41.6	-32.8	0	0	0	116.3
168	T	35.2	Very low	30.9	Very low	144 Å²	144	151.3 Å²	151.3	88%	0.883	80%	0.802	S	S	*	*			trans	-178.6	156.7	137.7	26.6	0	0	0	0	111.7
169	P	32.2	Very low	30.6	Very low	109 Å²	109	153.3 Å²	153.3	71%	0.708	81%	0.807	S	S	*	*			trans	-117.5	156.6	-134.3	40	-29.7	0	0	0	115
170	I	32	Very low	30.5	Very low	167 Å²	167	153.3 Å²	153.3	86%	0.856	80%	0.804	S	S	*	*			trans	-157.2	113.9	142.8	-85.7	131.8	0	0	0	110
171	Q	30.3	Very low	30.5	Very low	171 Å²	171	153.8 Å²	153.8	80%	0.799	80%	0.797	S	S	*	*			trans	32.1	112.6	146.6	-67.7	177	-25.9	0	0	123.5
172	H	29.1	Very low	30	Very low	163 Å²	163	151 Å²	151	76%	0.755	79%	0.789	S	S	*	*				80.3	112.5	126.8	-79.7	-61.8	0	0	0	123.4
173	Q	28.4	Very low	29.9	Very low	185 Å²	185	152.8 Å²	152.8	86%	0.864	78%	0.781	S	S	*	*			trans	80.6	83.1	145.8	-74.9	-179	-27.3	0	0	118.8
174	R	23.5	Very low	29.4	Very low	228 Å²	228	151 Å²	151	86%	0.86	78%	0.776	S	S	*	*			trans	-80.6	131.6	148	-80.3	179.2	172	173.2	-2.3	109.9
175	S	29.4	Very low	29.5	Very low	103 Å²	103	143.1 Å²	143.1	72%	0.72	75%	0.753	S	S	*	*			trans	-115.4	123.7	145.8	45.7	0	0	0	0	108.3
176	H	25	Very low	29.2	Very low	161 Å²	161	140 Å²	140	75%	0.745	74%	0.739	S	S	*	*			trans	-70.8	129.9	172.5	-86.2	-105.2	0	0	0	109.6
177	H	29.2	Very low	28.9	Very low	169 Å²	169	135.8 Å²	135.8	78%	0.782	72%	0.716	S	S	*	*			trans	-137.4	114.6	158.1	-76	-63.8	0	0	0	109.9
178	Q	26.4	Very low	28.5	Very low	194 Å²	194	134.2 Å²	134.2	91%	0.907	71%	0.705	S	S	*	*			trans	-66.3	132.1	165.4	-83.9	169.9	-33.4	0	0	108.9	V180	Q178-V180 PolarHBondContact O-N 3.48Å
179	L	24.5	Very low	28.1	Very low	174 Å²	174	132 Å²	132	91%	0.911	69%	0.691	S	S	*	*			trans	-74.4	113.3	175.2	-85.4	109.4	0	0	0	110.4
180	V	25.8	Very low	27.9	Very low	120 Å²	120	134.1 Å²	134.1	73%	0.727	70%	0.697	S	S	*	*			trans	-142.2	114	159.2	-178.5	0	0	0	0	107.5	Q178	Q178-V180 PolarHBondContact O-N 3.48Å
181	N	27.6	Very low	27.5	Very low	133 Å²	133	129.2 Å²	129.2	71%	0.711	69%	0.687	S	S	*	*	S	Bend	trans	51.3	129.8	171	-67.7	-12.3	0	0	0	119.2
182	G	26.3	Very low	27.3	Very low	68 Å²	68	128.4 Å²	128.4	70%	0.701	69%	0.687	S	S	*	*	S	Bend	trans	-52.8	146.6	-179.6	0	0	0	0	0	114.9
183	Y	27.4	Very low	27.1	Very low	141 Å²	141	129.7 Å²	129.7	55%	0.553	69%	0.693	S	S	*	*			trans	79.7	83.7	177.3	-47.3	-73.2	0	0	0	116.6	T185	Y183-T185 PolarHBondContact O-N 2.85Å
184	T	26.6	Very low	26.8	Very low	114 Å²	114	132.1 Å²	132.1	70%	0.699	70%	0.695	S	S	*	*			trans	-79	112.8	159.4	-48.6	0	0	0	0	109.9	V186	T184-V186 PolarHBondContact O-N 3.35Å
185	T	31.7	Very low	27	Very low	61 Å²	61	126.2 Å²	126.2	37%	0.374	70%	0.695	S	S	.	*			trans	-78.3	110.8	171.1	-50.2	0	0	0	0	109.5	L119 Y183 I187	L119-T185 HydrophobicContact CD2-CG2 4.15Å; Y183-T185 PolarHBondContact O-N 2.85Å; T185-I187 HydrophobicContact CG2-CD1 4.2Å; T185-I187 HydrophobicContact CG2-CG1 3.66Å
186	V	29.9	Very low	26.8	Very low	85 Å²	85	129.1 Å²	129.1	52%	0.515	70%	0.702	S	S	.	*			trans	-87.4	112.4	166.3	-177.5	0	0	0	0	108	T184	T184-V186 PolarHBondContact O-N 3.35Å
187	I	29.5	Very low	27	Very low	57 Å²	57	125.3 Å²	125.3	29%	0.292	71%	0.706	S	S	.	*			trans	-102.5	124.7	177.8	-54.5	177.3	0	0	0	108.4	T185	T185-I187 HydrophobicContact CG2-CD1 4.2Å; T185-I187 HydrophobicContact CG2-CG1 3.66Å
188	T	28.3	Very low	26.8	Very low	72 Å²	72	128.4 Å²	128.4	44%	0.442	71%	0.711	S	S	.	*			trans	-124.4	120.9	169.9	47.9	0	0	0	0	109.6
189	T	26.2	Very low	26.9	Very low	96 Å²	96	126 Å²	126	59%	0.589	70%	0.704	S	S	*	*			trans	-101.5	98.7	175.3	50.7	0	0	0	0	110.4
190	D	28.2	Very low	27	Very low	154 Å²	154	121.6 Å²	121.6	82%	0.824	69%	0.688	S	S	*	*			trans	-108.2	125.6	171.5	-79.2	-32.7	0	0	0	111.4
191	G	24.5	Very low	27.1	Very low	64 Å²	64	123.8 Å²	123.8	66%	0.66	69%	0.69	S	S	*	*			trans	-80.1	157.6	170.3	0	0	0	0	0	112
192	I	25.4	Very low	27.1	Very low	155 Å²	155	123.6 Å²	123.6	80%	0.795	69%	0.694	S	S	*	*			trans	140.6	110.1	145.9	-69	160.5	0	0	0	113.4
193	Q	24.7	Very low	26.9	Very low	189 Å²	189	128.8 Å²	128.8	88%	0.883	70%	0.7	S	S	*	*			trans	61.1	142.8	136.3	-62.6	177.1	-6	0	0	124.5
194	R	22.7	Very low	26.8	Very low	237 Å²	237	130.5 Å²	130.5	89%	0.894	72%	0.718	S	S	*	*			trans	-82.5	153	-171	-69.2	170.9	167	166.8	-4.5	113
195	A	27.2	Very low	26.6	Very low	104 Å²	104	131.1 Å²	131.1	86%	0.86	72%	0.721	S	S	*	*			trans	-149.6	134.7	140.1	0	0	0	0	0	111.2
196	N	25.6	Very low	26.4	Very low	163 Å²	163	136.2 Å²	136.2	87%	0.872	75%	0.745	S	S	*	*			trans	-82.1	155.4	-175.5	-72.2	-36	0	0	0	112.7
197	G	28.4	Very low	26.1	Very low	81 Å²	81	137 Å²	137	84%	0.835	75%	0.753	S	S	*	*			trans	-168.8	115.5	161.6	0	0	0	0	0	111.8
198	R	25.9	Very low	26	Very low	235 Å²	235	139.5 Å²	139.5	89%	0.887	78%	0.776	S	S	*	*			trans	-90.7	166.5	-172.2	-80.5	173.1	159.1	160.8	-6.8	113.7
199	N	28.1	Very low	25.8	Very low	143 Å²	143	140.8 Å²	140.8	77%	0.765	79%	0.794	S	S	*	*			trans	117.4	112.3	149.9	-65.1	-10	0	0	0	112.4
200	S	27.1	Very low	25.7	Very low	82 Å²	82	142.1 Å²	142.1	57%	0.573	80%	0.804	S	S	*	*			cis	98.6	136.8	45.1	71.2	0	0	0	0	113.3
201	H	28.1	Very low	25.6	Very low	166 Å²	166	146.3 Å²	146.3	77%	0.769	81%	0.809	S	S	*	*			trans	82.1	136.2	170.2	-54.1	-69.8	0	0	0	116.1
202	T	26.7	Very low	25.7	Very low	129 Å²	129	149.4 Å²	149.4	79%	0.791	81%	0.814	S	S	*	*			cis	-166	152.7	9	0.7	0	0	0	0	109
203	E	22.6	Very low	25.7	Very low	177 Å²	177	147.2 Å²	147.2	83%	0.827	81%	0.81	S	S	*	*			trans	-58.6	156	170.1	-67.1	168.2	136.5	0	0	113
204	L	26	Very low	25.8	Very low	177 Å²	177	142.5 Å²	142.5	93%	0.927	80%	0.804	S	S	*	*			trans	-167.1	125	131.4	-99.1	163.8	0	0	0	111.1
205	T	22.2	Very low	26.1	Very low	126 Å²	126	139 Å²	139	77%	0.773	80%	0.803	S	S	*	*			trans	-83.4	132.6	-179.5	-31.4	0	0	0	0	110.4
206	I	27.2	Very low	26.3	Very low	169 Å²	169	141.4 Å²	141.4	87%	0.867	80%	0.797	S	S	*	*			trans	-138	132.2	157.3	-61.2	-177.6	0	0	0	109.3
207	S	24.5	Very low	26.7	Very low	100 Å²	100	142 Å²	142	70%	0.699	79%	0.794	S	S	*	*			trans	-91.8	158.3	-171	178	0	0	0	0	113.4
208	S	26	Very low	26.9	Very low	110 Å²	110	144.1 Å²	144.1	77%	0.769	79%	0.786	S	S	*	*			trans	82.9	109.9	149	68.6	0	0	0	0	120.1
209	A	25.4	Very low	27.5	Very low	99 Å²	99	141.1 Å²	141.1	82%	0.818	78%	0.775	S	S	*	*				179.4	152.5	100.2	0	0	0	0	0	110.8
210	P	23.9	Very low	28.2	Very low	124 Å²	124	139.8 Å²	139.8	81%	0.805	77%	0.767	S	S	*	*			trans	-92.5	144.2	-155.6	35.9	-31.6	0	0	0	112.8
211	R	25.8	Very low	28.8	Very low	242 Å²	242	139.7 Å²	139.7	91%	0.913	76%	0.757	S	S	*	*			trans	-138.2	103.2	163.3	-83.1	-171.2	179.6	-179.9	-1.1	111.9
212	V	25.4	Very low	29.4	Very low	129 Å²	129	138.1 Å²	138.1	78%	0.782	74%	0.744	S	S	*	*			trans	47.6	111.9	141.3	-165.5	0	0	0	0	117.6	A214	V212-A214 PolarHBondContact O-N 3.05Å
213	P	26.1	Very low	30.2	Very low	109 Å²	109	135.8 Å²	135.8	71%	0.708	73%	0.733	S	S	*	*			trans	-74.9	122.1	166.9	28.7	-23.3	0	0	0	109.2	N215	P213-N215 PolarHBondContact O-N 3.5Å
214	A	27.5	Very low	31	Very low	91 Å²	91	130.4 Å²	130.4	75%	0.752	72%	0.719	S	S	*	*			trans	-64.8	123.6	168.7	0	0	0	0	0	109.5	V212 Q216	V212-A214 PolarHBondContact O-N 3.05Å; A214-Q216 PolarHBondContact O-N 2.86Å; A214-Q216 VanDerWaalsContact O-N 3.14Å
215	N	28.9	Very low	31.6	Very low	163 Å²	163	124 Å²	124	87%	0.872	69%	0.686	S	S	*	*			trans	-11.9	96	173.4	-73.4	-19.6	0	0	0	116.5	P213 H217	P213-N215 PolarHBondContact O-N 3.5Å; N215-H217 VanDerWaalsContact C-N 3.33Å
216	Q	31.4	Very low	32.5	Very low	155 Å²	155	122.8 Å²	122.8	72%	0.724	67%	0.673	S	S	*	*			trans	-89.5	10	167.2	-89.3	171.6	-32.8	0	0	113.2	A214 D218	A214-Q216 PolarHBondContact O-N 2.86Å; A214-Q216 VanDerWaalsContact O-N 3.14Å; Q216-D218 PolarHBondContact O-N 3.4Å
217	H	32.9	Very low	33	Very low	175 Å²	175	116.5 Å²	116.5	81%	0.81	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.9	-0.6	-161.4	-114	-72.1	0	0	0	117.4	N215	N215-H217 VanDerWaalsContact C-N 3.33Å
218	D	34.3	Very low	33.9	Very low	125 Å²	125	114.9 Å²	114.9	67%	0.668	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119.1	-11.7	-176.8	-123	-15.1	0	0	0	114.8	Q216	Q216-D218 PolarHBondContact O-N 3.4Å
219	R	36.6	Very low	34.3	Very low	173 Å²	173	112.8 Å²	112.8	65%	0.653	62%	0.618	S	S	*	*	H	α-helix	trans	-84	-23.5	175	-71.3	-169.3	-172.9	-168.6	0.8	113	S223 H545	R219-S223 WeakPolarHBondContact O-CB 3.47Å; R219-S223 PolarHBondContact O-OG 2.99Å; R219-H545 PolarHBondContact NH2-CE1 3.09Å; R219-H545 PolarHBondContact NH2-NE2 3.3Å
220	D	43.7	Very low	35.2	Very low	114 Å²	114	112.4 Å²	112.4	61%	0.61	60%	0.599	S	S	*	*	H	α-helix	trans	-80.6	-26.6	179.2	-71.4	-16.2	0	0	0	112.6	A224	D220-A224 WeakPolarHBondContact O-CB 3.46Å; D220-A224 PolarHBondContact O-N 2.87Å
221	F	38.9	Very low	35.6	Very low	80 Å²	80	108.5 Å²	108.5	35%	0.351	58%	0.58	S	S	.	*	H	α-helix	trans	-67.4	-49.2	-180	179.4	-101.3	0	0	0	111.9	A224 L225 Y349	F221-A224 PolarHBondContact O-N 3.49Å; F221-L225 HydrophobicContact CE1-CD2 4.01Å; F221-L225 HydrophobicContact CZ-CD1 4.47Å; F221-L225 HydrophobicContact CZ-CD2 4.28Å; F221-L225 WeakPolarHBondContact O-CB 3.18Å; F221-L225 PolarHBondContact O-N 3.2Å; F221-Y349 HydrophobicContact CE2-CE2 4.49Å
222	W	41.6	Very low	35.9	Very low	133 Å²	133	102.4 Å²	102.4	50%	0.504	58%	0.575	S	S	.	*	H	α-helix	trans	-74.1	-34.2	-178.3	-66.8	103.6	0	0	0	112.8	L225 I226	W222-L225 HydrophobicContact CE3-CD2 3.63Å; W222-L225 HydrophobicContact CH2-CD2 4.3Å; W222-L225 HydrophobicContact CZ3-CD2 3.43Å; W222-L225 VanDerWaalsContact CZ3-CD2 3.43Å; W222-L225 PolarHBondContact O-N 3.19Å; W222-I226 VanDerWaalsContact O-CB 3.27Å; W222-I226 WeakPolarHBondContact O-CB 3.46Å; W222-I226 WeakPolarHBondContact O-CG1 3.32Å; W222-I226 PolarHBondContact O-N 3.25Å
223	S	42.7	Very low	36.3	Very low	81 Å²	81	104.8 Å²	104.8	57%	0.566	58%	0.577	S	S	*	*	H	α-helix	trans	-65.9	-41.1	172.7	-49.8	0	0	0	0	111.5	R219 G227	R219-S223 WeakPolarHBondContact O-CB 3.47Å; R219-S223 PolarHBondContact O-OG 2.99Å; S223-G227 WeakPolarHBondContact O-CA 3.27Å; S223-G227 PolarHBondContact O-N 3.31Å
224	A	40.8	Very low	36.5	Very low	63 Å²	63	109.2 Å²	109.2	52%	0.521	59%	0.585	S	S	.	*	H	α-helix	trans	-73	-32.3	174.7	0	0	0	0	0	112.6	D220 F221 G227 S228	D220-A224 WeakPolarHBondContact O-CB 3.46Å; D220-A224 PolarHBondContact O-N 2.87Å; F221-A224 PolarHBondContact O-N 3.49Å; A224-G227 CarbonylContact O-C 3.55Å; A224-S228 WeakPolarHBondContact O-CB 3.2Å; A224-S228 PolarHBondContact O-N 2.8Å; A224-S228 PolarHBondContact O-OG 3.37Å
225	L	37.8	Very low	36.5	Very low	44 Å²	44	115.1 Å²	115.1	23%	0.23	60%	0.595	C	S	.	*	H	α-helix	trans	-73.6	-47.6	177.8	-172	74.7	0	0	0	110.8	F221 W222 G227 S228 L229	F221-L225 HydrophobicContact CE1-CD2 4.01Å; F221-L225 HydrophobicContact CZ-CD1 4.47Å; F221-L225 HydrophobicContact CZ-CD2 4.28Å; F221-L225 WeakPolarHBondContact O-CB 3.18Å; F221-L225 PolarHBondContact O-N 3.2Å; W222-L225 HydrophobicContact CE3-CD2 3.63Å; W222-L225 HydrophobicContact CH2-CD2 4.3Å; W222-L225 HydrophobicContact CZ3-CD2 3.43Å; W222-L225 VanDerWaalsContact CZ3-CD2 3.43Å; W222-L225 PolarHBondContact O-N 3.19Å; L225-G227 VanDerWaalsContact C-N 3.31Å; L225-G227 PolarHBondContact O-N 2.79Å; L225-S228 CarbonylContact O-C 3.51Å; L225-S228 PolarHBondContact O-N 3.3Å; L225-S228 PolarHBondContact O-OG 3.19Å; L225-L229 HydrophobicContact CD1-CD1 4.31Å; L225-L229 HydrophobicContact CD1-CG 4.38Å; L225-L229 HydrophobicContact CD2-CD1 4.18Å; L225-L229 HydrophobicContact CG-CD1 3.69Å; L225-L229 HydrophobicContact CG-CG 4.16Å; L225-L229 WeakPolarHBondContact O-CB 3.38Å; L225-L229 WeakPolarHBondContact O-CD1 3.41Å; L225-L229 WeakPolarHBondContact O-CG 3.1Å; L225-L229 PolarHBondContact O-N 3.01Å
226	I	40.8	Very low	36.6	Very low	100 Å²	100	112.9 Å²	112.9	51%	0.513	59%	0.591	S	S	.	*	H	α-helix	trans	-62.4	-41.7	172.4	-66	171.4	0	0	0	109.6	W222 S228 L229 F230	W222-I226 VanDerWaalsContact O-CB 3.27Å; W222-I226 WeakPolarHBondContact O-CB 3.46Å; W222-I226 WeakPolarHBondContact O-CG1 3.32Å; W222-I226 PolarHBondContact O-N 3.25Å; I226-S228 PolarHBondContact O-N 2.9Å; I226-L229 PolarHBondContact O-N 3.13Å; I226-F230 HydrophobicContact CG2-CD2 4.36Å; I226-F230 WeakPolarHBondContact O-CB 3.25Å; I226-F230 PolarHBondContact O-N 3.12Å; I226-F230 VanDerWaalsContact O-N 3.08Å
227	G	38.5	Very low	36.3	Very low	37 Å²	37	110.6 Å²	110.6	38%	0.381	59%	0.592	S	S	.	*	H	α-helix	trans	-63.6	-33	173	0	0	0	0	0	114.3	S223 A224 L225 G231	S223-G227 WeakPolarHBondContact O-CA 3.27Å; S223-G227 PolarHBondContact O-N 3.31Å; A224-G227 CarbonylContact O-C 3.55Å; L225-G227 VanDerWaalsContact C-N 3.31Å; L225-G227 PolarHBondContact O-N 2.79Å; G227-G231 WeakPolarHBondContact O-CA 3.47Å; G227-G231 PolarHBondContact O-N 3.02Å
228	S	42.8	Very low	36.3	Very low	66 Å²	66	107 Å²	107	46%	0.462	59%	0.594	S	S	.	*	H	α-helix	trans	-86.3	-28.1	177.1	78.6	0	0	0	0	113.5	A224 L225 I226	A224-S228 WeakPolarHBondContact O-CB 3.2Å; A224-S228 PolarHBondContact O-N 2.8Å; A224-S228 PolarHBondContact O-OG 3.37Å; L225-S228 CarbonylContact O-C 3.51Å; L225-S228 PolarHBondContact O-N 3.3Å; L225-S228 PolarHBondContact O-OG 3.19Å; I226-S228 PolarHBondContact O-N 2.9Å
229	L	34.6	Very low	36	Very low	65 Å²	65	110.1 Å²	110.1	34%	0.34	60%	0.601	S	S	.	*	H	α-helix	trans	-75.1	-29.8	178.2	-75.3	170.5	0	0	0	111.1	L225 I226	L225-L229 HydrophobicContact CD1-CD1 4.31Å; L225-L229 HydrophobicContact CD1-CG 4.38Å; L225-L229 HydrophobicContact CD2-CD1 4.18Å; L225-L229 HydrophobicContact CG-CD1 3.69Å; L225-L229 HydrophobicContact CG-CG 4.16Å; L225-L229 WeakPolarHBondContact O-CB 3.38Å; L225-L229 WeakPolarHBondContact O-CD1 3.41Å; L225-L229 WeakPolarHBondContact O-CG 3.1Å; L225-L229 PolarHBondContact O-N 3.01Å; I226-L229 PolarHBondContact O-N 3.13Å
230	F	44.5	Very low	35.7	Very low	92 Å²	92	109 Å²	109	40%	0.404	61%	0.608	S	S	.	*	H	α-helix	trans	-139.2	-2.5	-166.2	-57.4	-55.8	0	0	0	115.1	I226 E650	I226-F230 HydrophobicContact CG2-CD2 4.36Å; I226-F230 WeakPolarHBondContact O-CB 3.25Å; I226-F230 PolarHBondContact O-N 3.12Å; I226-F230 VanDerWaalsContact O-N 3.08Å; F230-E650 VanDerWaalsContact CB-CD 3.47Å; F230-E650 WeakPolarHBondContact CB-OE1 3.44Å; F230-E650 VanDerWaalsContact CB-OE2 3.28Å; F230-E650 WeakPolarHBondContact CB-OE2 3.4Å; F230-E650 HydrophobicContact CD1-CB 4.23Å; F230-E650 HydrophobicContact CD1-CG 3.92Å; F230-E650 WeakPolarHBondContact CD1-OE2 3.43Å; F230-E650 HydrophobicContact CE1-CB 4.3Å; F230-E650 HydrophobicContact CE1-CG 4.19Å; F230-E650 HydrophobicContact CG-CG 4.36Å; F230-E650 VanDerWaalsContact CG-OE1 3.26Å; F230-E650 WeakPolarHBondContact CG-OE1 3.48Å; F230-E650 WeakPolarHBondContact CG-OE2 3.35Å
231	G	32.2	Very low	34.9	Very low	41 Å²	41	109.5 Å²	109.5	42%	0.423	62%	0.615	S	S	.	*			trans	-89	112.1	177.9	0	0	0	0	0	113.9	G227 H233	G227-G231 WeakPolarHBondContact O-CA 3.47Å; G227-G231 PolarHBondContact O-N 3.02Å; G231-H233 PolarHBondContact O-N 3.34Å
232	S	32.2	Very low	34.5	Very low	115 Å²	115	114 Å²	114	80%	0.804	64%	0.642	S	S	*	*			trans	-68.6	93.6	170.1	-65	0	0	0	0	111.8	K234	S232-K234 PolarHBondContact O-N 2.82Å
233	H	32.9	Very low	34	Very low	178 Å²	178	111.8 Å²	111.8	82%	0.824	65%	0.653	S	S	*	*			trans	-75.1	107.2	169.5	-96.3	-74.5	0	0	0	111.4	G231 F235	G231-H233 PolarHBondContact O-N 3.34Å; H233-F235 PolarHBondContact O-N 3.44Å
234	K	30.7	Very low	33.2	Very low	203 Å²	203	112.6 Å²	112.6	88%	0.883	66%	0.664	S	S	*	*			trans	-66.1	119.7	164.2	-69.1	179.5	179.7	174.5	0	109.5	S232 S236	S232-K234 PolarHBondContact O-N 2.82Å; K234-S236 PolarHBondContact O-N 2.84Å
235	F	27.5	Very low	32.8	Very low	215 Å²	215	116.5 Å²	116.5	94%	0.943	68%	0.681	S	S	*	*			trans	-64.9	124.2	169.3	-94.9	-91.5	0	0	0	110.8	H233	H233-F235 PolarHBondContact O-N 3.44Å
236	S	30.5	Very low	32.2	Very low	115 Å²	115	121.5 Å²	121.5	80%	0.804	71%	0.708	S	S	*	*			trans	-105.4	125.9	158.9	-179.5	0	0	0	0	108.7	K234	K234-S236 PolarHBondContact O-N 2.84Å
237	S	26.8	Very low	31.7	Very low	107 Å²	107	122.6 Å²	122.6	75%	0.748	73%	0.725	S	S	*	*			trans	-71.9	131.8	-177.5	117.9	0	0	0	0	111.3
238	A	31.4	Very low	31.1	Very low	101 Å²	101	127.4 Å²	127.4	84%	0.835	75%	0.747	S	S	*	*			trans	-142	118.6	153.5	0	0	0	0	0	110.3
239	K	27.6	Very low	30.5	Very low	189 Å²	189	130.1 Å²	130.1	82%	0.822	77%	0.765	S	S	*	*			trans	-60.3	141.3	176.5	-67.2	166.8	173	174.2	0	111.2
240	N	32	Very low	30	Very low	151 Å²	151	139.2 Å²	139.2	81%	0.807	80%	0.795	S	S	*	*				-172.6	108.4	127.4	-90.9	-17.4	0	0	0	112.1
241	T	27	Very low	29.3	Very low	124 Å²	124	140.4 Å²	140.4	76%	0.761	82%	0.815	S	S	*	*			trans	14.3	123.8	138.6	20.4	0	0	0	0	119.8
242	L	30.6	Very low	29.2	Very low	173 Å²	173	147.7 Å²	147.7	91%	0.906	84%	0.838	S	S	*	*				-169.2	114.6	121.4	-97.9	148.7	0	0	0	112.9
243	A	30.6	Very low	28.9	Very low	88 Å²	88	150.1 Å²	150.1	73%	0.727	84%	0.842	S	S	*	*			trans	44.3	106.9	144.5	0	0	0	0	0	122.9
244	A	26.1	Very low	28.7	Very low	97 Å²	97	146.3 Å²	146.3	80%	0.802	84%	0.842	S	S	*	*				42	122.3	123.9	0	0	0	0	0	120.9
245	V	31.1	Very low	28.7	Very low	146 Å²	146	145.8 Å²	145.8	89%	0.885	84%	0.842	S	S	*	*				-159.8	133.8	107.4	173.2	0	0	0	0	109.4
246	D	25.1	Very low	28.9	Very low	149 Å²	149	141.6 Å²	141.6	80%	0.797	83%	0.829	S	S	*	*			trans	-59	142.7	177.3	-85.9	-46.1	0	0	0	115.2
247	S	31.1	Very low	29	Very low	123 Å²	123	141.3 Å²	141.3	86%	0.86	82%	0.824	S	S	*	*				-164.4	128.3	129.5	43	0	0	0	0	111.7
248	T	25.9	Very low	29.7	Very low	138 Å²	138	140.4 Å²	140.4	85%	0.847	81%	0.811	S	S	*	*			trans	-79.6	129	-175.8	36.9	0	0	0	0	111.8
249	S	31.1	Very low	30	Very low	122 Å²	122	144.1 Å²	144.1	85%	0.853	80%	0.804	S	S	*	*			trans	-153.9	135.2	148.4	65.7	0	0	0	0	111.8
250	R	24	Very low	30.4	Very low	256 Å²	256	142.4 Å²	142.4	97%	0.966	80%	0.799	S	S	*	*			trans	-78.3	132	-174.7	-125.1	170.7	171.6	175.4	-3.5	109.5
251	S	30	Very low	30.3	Very low	117 Å²	117	141.4 Å²	141.4	82%	0.818	78%	0.784	S	S	*	*			trans	-147.5	132	157.5	53.4	0	0	0	0	110.8
252	Q	28.5	Very low	30.3	Very low	194 Å²	194	141 Å²	141	91%	0.907	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-73.1	134.4	-169.8	-66.4	158.2	-38.1	0	0	112.2	A254	Q252-A254 PolarHBondContact O-N 3.41Å
253	D	26.8	Very low	30	Very low	166 Å²	166	140.9 Å²	140.9	89%	0.888	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-70.6	120.5	164	-69.7	-46.4	0	0	0	109.3
254	A	27.5	Very low	29.8	Very low	99 Å²	99	142.8 Å²	142.8	82%	0.818	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-86.6	116.5	175.7	0	0	0	0	0	110.2	Q252	Q252-A254 PolarHBondContact O-N 3.41Å
255	E	31.5	Very low	29.8	Very low	192 Å²	192	143.4 Å²	143.4	90%	0.897	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-63.7	131.9	173.3	-74.7	179.2	145.2	0	0	111.6
256	L	32	Very low	29.5	Very low	126 Å²	126	147 Å²	147	66%	0.66	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-71.8	129.1	172.6	-81.4	154.6	0	0	0	110.2
257	P	33.1	Very low	29.5	Very low	109 Å²	109	145.1 Å²	145.1	71%	0.708	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-71.1	140.2	-176.5	26.2	-32.9	0	0	0	113.4	R259	P257-R259 PolarHBondContact O-N 2.93Å
258	D	40.2	Very low	29.2	Very low	88 Å²	88	147.3 Å²	147.3	47%	0.471	76%	0.759	S	S	.	*			trans	-61.7	115.6	170.9	-100.7	-23	0	0	0	110	Q260	D258-Q260 PolarHBondContact O-N 3.42Å
259	R	39.1	Very low	29.4	Very low	179 Å²	179	147.3 Å²	147.3	68%	0.675	76%	0.758	S	S	*	*			trans	-87.4	94.8	173.1	-78.4	-175.2	169.2	172.5	-1.4	110.3	P257	P257-R259 PolarHBondContact O-N 2.93Å
260	Q	34.3	Very low	29.1	Very low	154 Å²	154	149.2 Å²	149.2	72%	0.72	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-77.1	141.1	163.4	-69.7	-177.7	-12.9	0	0	110.1	D258	D258-Q260 PolarHBondContact O-N 3.42Å
261	R	31.4	Very low	29.3	Very low	130 Å²	130	140.3 Å²	140.3	49%	0.491	75%	0.746	S	S	.	*	P	Polyproline II helix	trans	-57	134.1	179	-168.8	-175.9	-171.6	-153.6	1.7	109.9	L263 D265	R261-L263 PolarHBondContact O-N 3.42Å; R261-D265 IonicContact CZ-OD1 3.47Å; R261-D265 IonicContact NH1-OD1 2.66Å; R261-D265 PolarHBondContact NH1-OD1 2.82Å
262	P	25.8	Very low	29.1	Very low	114 Å²	114	144.1 Å²	144.1	74%	0.74	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-59	127.5	167.7	-19.7	31.5	0	0	0	109.8	N264	P262-N264 PolarHBondContact O-N 3.26Å
263	L	25.1	Very low	29	Very low	171 Å²	171	146.3 Å²	146.3	90%	0.895	75%	0.749	S	S	*	*	S	Bend	trans	-66.1	98.1	178.7	-162.1	82.5	0	0	0	109	R261	R261-L263 PolarHBondContact O-N 3.42Å
264	N	27	Very low	29	Very low	129 Å²	129	147.2 Å²	147.2	69%	0.69	75%	0.748	S	S	*	*			trans	-164.3	83.9	155.7	-91.5	-11.9	0	0	0	107.6	P262	P262-N264 PolarHBondContact O-N 3.26Å
265	D	24.6	Very low	29	Very low	110 Å²	110	147.4 Å²	147.4	59%	0.588	74%	0.743	S	S	*	*			trans	-67.2	132.6	160.6	-95.7	-25.6	0	0	0	109.3	R261	R261-D265 IonicContact CZ-OD1 3.47Å; R261-D265 IonicContact NH1-OD1 2.66Å; R261-D265 PolarHBondContact NH1-OD1 2.82Å
266	W	25.3	Very low	29	Very low	220 Å²	220	146 Å²	146	83%	0.833	74%	0.742	S	S	*	*			trans	-131.4	72.9	160.7	-71.4	102.1	0	0	0	107.7
267	T	25.5	Very low	28.7	Very low	110 Å²	110	147.2 Å²	147.2	68%	0.675	75%	0.749	S	S	*	*			trans	-137.4	64.3	160.1	54.5	0	0	0	0	108.1
268	E	25	Very low	28.6	Very low	170 Å²	170	148.9 Å²	148.9	79%	0.794	76%	0.757	S	S	*	*			trans	-157.8	141.5	158.3	-110.3	173.8	-156.5	0	0	108.2
269	V	29.5	Very low	28	Very low	138 Å²	138	150 Å²	150	84%	0.836	77%	0.771	S	S	*	*			trans	94.1	107.6	171.7	-158.3	0	0	0	0	117.3
270	D	25.9	Very low	27.4	Very low	161 Å²	161	145.6 Å²	145.6	86%	0.861	77%	0.774	S	S	*	*			trans	-47.1	151.6	164.5	-65.6	-64.1	0	0	0	115.3
271	G	26.7	Very low	27.2	Very low	69 Å²	69	143.4 Å²	143.4	71%	0.711	78%	0.775	S	S	*	*			trans	109	129	138.9	0	0	0	0	0	117.4
272	F	26	Very low	27.3	Very low	197 Å²	197	142.7 Å²	142.7	86%	0.864	79%	0.79	S	S	*	*			trans	84.4	101.9	152.1	-90.7	-98.4	0	0	0	119.7
273	W	26.4	Very low	27.4	Very low	241 Å²	241	141.7 Å²	141.7	91%	0.913	79%	0.786	S	S	*	*			trans	-51.5	133.2	142.6	-58.1	89.3	0	0	0	110.5
274	E	27.8	Very low	27.7	Very low	184 Å²	184	141.2 Å²	141.2	86%	0.86	78%	0.783	S	S	*	*				-171.5	138.3	125.9	-105.7	171.8	-168.7	0	0	111.9
275	S	26.7	Very low	27.9	Very low	104 Å²	104	140.5 Å²	140.5	73%	0.727	79%	0.788	S	S	*	*			trans	-75.4	147.2	-179.5	-47.5	0	0	0	0	111.5
276	N	30.9	Very low	28	Very low	162 Å²	162	143.2 Å²	143.2	87%	0.866	80%	0.803	S	S	*	*				-179	139.5	122.2	-91.8	-31	0	0	0	113.9
277	N	26	Very low	28.2	Very low	152 Å²	152	138.2 Å²	138.2	81%	0.813	80%	0.802	S	S	*	*			trans	-53.7	156.6	167	-72.7	-43	0	0	0	113
278	V	31.6	Very low	28.1	Very low	144 Å²	144	141 Å²	141	87%	0.873	81%	0.813	S	S	*	*				172.3	145.8	114.2	161.2	0	0	0	0	110.6
279	S	26.7	Very low	28.3	Very low	110 Å²	110	139.4 Å²	139.4	77%	0.769	81%	0.814	S	S	*	*			trans	-79.3	166.7	-165.2	-41.8	0	0	0	0	117.2
280	A	27.7	Very low	28.2	Very low	88 Å²	88	140 Å²	140	73%	0.727	81%	0.813	S	S	*	*			trans	100.1	114.3	134.4	0	0	0	0	0	121.1
281	S	29.5	Very low	28.1	Very low	108 Å²	108	138.2 Å²	138.2	76%	0.755	81%	0.813	S	S	*	*				117	137	114.1	70.2	0	0	0	0	120.9
282	S	33.1	Very low	28.1	Very low	114 Å²	114	143.2 Å²	143.2	80%	0.797	82%	0.818	S	S	*	*			trans	82.6	137.2	158.9	76.8	0	0	0	0	118.1
283	S	28.9	Very low	28.2	Very low	93 Å²	93	141.2 Å²	141.2	65%	0.65	82%	0.816	S	S	*	*			cis	-179.4	169.9	-6.6	39.9	0	0	0	0	108.7
284	L	31.1	Very low	28.2	Very low	161 Å²	161	136.8 Å²	136.8	84%	0.843	82%	0.815	S	S	*	*			trans	80.8	131.4	172.2	-60	107.5	0	0	0	116.5
285	S	30.9	Very low	28.2	Very low	114 Å²	114	135.6 Å²	135.6	80%	0.797	81%	0.81	S	S	*	*			cis	-167.4	150.1	7.4	41.6	0	0	0	0	110.4
286	N	26	Very low	28.5	Very low	167 Å²	167	138.2 Å²	138.2	89%	0.893	81%	0.814	S	S	*	*			trans	-52.4	137.8	-172.4	-75.9	-23	0	0	0	118.6
287	S	29.4	Very low	28.6	Very low	116 Å²	116	135.6 Å²	135.6	81%	0.811	80%	0.8	S	S	*	*			trans	-157.1	128.7	133.8	46.7	0	0	0	0	111.1
288	N	24.4	Very low	29.6	Very low	169 Å²	169	131.6 Å²	131.6	90%	0.904	78%	0.781	S	S	*	*			trans	-58.9	126.4	-173.9	-78.4	-30.3	0	0	0	113.8
289	V	29.1	Very low	31.2	Very low	135 Å²	135	129.6 Å²	129.6	82%	0.818	77%	0.773	S	S	*	*			trans	-140.7	116.4	155.5	-174	0	0	0	0	109.1
290	N	27.5	Very low	33.1	Very low	152 Å²	152	126.1 Å²	126.1	81%	0.813	75%	0.746	S	S	*	*			trans	-55.2	132.6	174.2	-94.8	-17.4	0	0	0	111.6	Q292	N290-Q292 PolarHBondContact O-N 2.91Å
291	S	23.6	Very low	34.8	Very low	123 Å²	123	123.7 Å²	123.7	86%	0.86	72%	0.723	S	S	*	*			trans	-69.4	119.9	164.7	-45.9	0	0	0	0	110.1
292	Q	27.7	Very low	36.8	Very low	174 Å²	174	123.6 Å²	123.6	81%	0.813	72%	0.72	S	S	*	*			trans	-137.3	125.1	160.1	-77.1	-169.5	-14.5	0	0	109.9	N290 T294	N290-Q292 PolarHBondContact O-N 2.91Å; Q292-T294 PolarHBondContact O-N 2.75Å
293	N	26.8	Very low	38.8	Very low	155 Å²	155	119.5 Å²	119.5	83%	0.829	70%	0.695	S	S	*	*			trans	-35.3	118.9	165.6	-89.6	-22.7	0	0	0	112.5	Q295	N293-Q295 PolarHBondContact O-N 2.94Å
294	T	26.7	Very low	41.3	Very low	147 Å²	147	116.8 Å²	116.8	90%	0.902	67%	0.67	S	S	*	*			trans	-78.9	72.2	159	38.9	0	0	0	0	109.5	Q292	Q292-T294 PolarHBondContact O-N 2.75Å
295	Q	28.7	Very low	43.9	Very low	159 Å²	159	112.1 Å²	112.1	74%	0.743	65%	0.645	S	S	*	*			trans	-76.6	124.6	148.2	-93.3	-177.3	-23	0	0	106.3	N293 D297	N293-Q295 PolarHBondContact O-N 2.94Å; Q295-D297 VanDerWaalsContact C-N 3.29Å; Q295-D297 PolarHBondContact O-N 3.47Å
296	I	31	Very low	46.6	Very low	160 Å²	160	111.4 Å²	111.4	82%	0.821	62%	0.624	S	S	*	*			trans	-65.2	93.4	173	-60.1	172.1	0	0	0	107	V298	I296-V298 VanDerWaalsContact C-N 3.33Å; I296-V298 HydrophobicContact CG2-CG2 4.12Å; I296-V298 PolarHBondContact O-N 3.08Å
297	D	35	Very low	49.6	Very low	106 Å²	106	108.6 Å²	108.6	57%	0.567	60%	0.601	S	S	*	*			trans	-75.2	85.1	178.9	-157.7	10.7	0	0	0	108.8	Q295 S299 R306 R331	Q295-D297 VanDerWaalsContact C-N 3.29Å; Q295-D297 PolarHBondContact O-N 3.47Å; D297-S299 PolarHBondContact O-N 3.46Å; D297-R306 IonicContact OD2-NH2 3.52Å; D297-R331 IonicContact OD1-NH1 2.63Å
298	V	46.5	Very low	52.5	Low	69 Å²	69	107.3 Å²	107.3	42%	0.418	58%	0.581	S	S	.	*			trans	-67.9	114	170.3	-176.7	0	0	0	0	107.3	I296 L300 R331	I296-V298 VanDerWaalsContact C-N 3.33Å; I296-V298 HydrophobicContact CG2-CG2 4.12Å; I296-V298 PolarHBondContact O-N 3.08Å; V298-L300 PolarHBondContact O-N 2.99Å; V298-R331 PolarHBondContact O-NH1 2.82Å
299	S	65.3	Low	55.3	Low	101 Å²	101	101 Å²	101	71%	0.706	55%	0.547	S	S	*	.			trans	-45.9	138.3	-176.4	56.6	0	0	0	0	113.7	D297	D297-S299 PolarHBondContact O-N 3.46Å
300	L	66.8	Low	57.8	Low	38 Å²	38	102.8 Å²	102.8	20%	0.199	54%	0.544	C	S	.	.	P	Polyproline II helix	trans	-56.1	150.7	172.7	-71.8	164.7	0	0	0	111.6	V298 W304 R306 F317 P330	V298-L300 PolarHBondContact O-N 2.99Å; L300-W304 HydrophobicContact CB-CB 3.99Å; L300-R306 HydrophobicContact CD1-CB 3.68Å; L300-R306 VanDerWaalsContact CD1-N 3.28Å; L300-F317 HydrophobicContact CD1-CD1 4.37Å; L300-F317 HydrophobicContact CD2-CD1 3.75Å; L300-F317 HydrophobicContact CD2-CE1 3.85Å; L300-P330 HydrophobicContact CD2-CG 3.94Å
301	P	63.4	Low	60.2	Low	36 Å²	36	100.4 Å²	100.4	23%	0.234	54%	0.539	C	S	.	.	P	Polyproline II helix	trans	-58	148	177.7	-19.1	29.5	0	0	0	111.8	G303 W304 R331	P301-G303 PolarHBondContact O-N 3.48Å; P301-G303 VanDerWaalsContact O-N 3.1Å; P301-W304 WeakPolarHBondContact O-CB 3.45Å; P301-W304 PolarHBondContact O-N 2.72Å; P301-R331 HydrophobicContact CG-CG 4.47Å
302	P	70.8	Confident	62.9	Low	107 Å²	107	97.5 Å²	97.5	70%	0.695	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	117.8	-176.9	-26.9	34.2	0	0	0	113.4	K321	P302-K321 WeakPolarHBondContact O-CE 3.29Å; P302-K321 PolarHBondContact O-NZ 3.34Å; P302-K321 VanDerWaalsContact O-NZ 3.09Å
303	G	74.7	Confident	65.2	Low	27 Å²	27	95.7 Å²	95.7	28%	0.278	51%	0.508	S	S	.	.	T	Hydrogen-bonded Turn	trans	106.6	-5.3	-176.4	0	0	0	0	0	114.1	P301 N319 H320	P301-G303 PolarHBondContact O-N 3.48Å; P301-G303 VanDerWaalsContact O-N 3.1Å; G303-N319 CarbonylContact O-C 3.6Å; G303-N319 WeakPolarHBondContact O-CA 3.05Å; G303-H320 PolarHBondContact O-CD2 2.91Å; G303-H320 VanDerWaalsContact O-CD2 3.32Å; G303-H320 PolarHBondContact O-N 3.34Å
304	W	81.4	Confident	67.1	Low	36 Å²	36	94.6 Å²	94.6	14%	0.136	50%	0.496	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	135.5	175	-69.3	85.6	0	0	0	112.2	L300 P301 F317 I318 N319 I324 Q326 P330	L300-W304 HydrophobicContact CB-CB 3.99Å; P301-W304 WeakPolarHBondContact O-CB 3.45Å; P301-W304 PolarHBondContact O-N 2.72Å; W304-F317 HydrophobicContact CE3-CB 3.91Å; W304-F317 HydrophobicContact CZ3-CB 4.08Å; W304-I318 CarbonylContact C-O 3.52Å; W304-I318 VanDerWaalsContact CA-O 3.24Å; W304-I318 WeakPolarHBondContact CA-O 3.19Å; W304-N319 HydrophobicContact CD2-CB 3.8Å; W304-N319 VanDerWaalsContact CE2-ND2 3.3Å; W304-N319 HydrophobicContact CE3-CB 3.79Å; W304-N319 HydrophobicContact CH2-CB 3.74Å; W304-N319 HydrophobicContact CZ2-CB 3.75Å; W304-N319 WeakPolarHBondContact CZ2-ND2 3.5Å; W304-N319 HydrophobicContact CZ3-CB 3.77Å; W304-N319 PolarHBondContact NE1-ND2 3.43Å; W304-I324 HydrophobicContact CH2-CD1 4.17Å; W304-Q326 VanDerWaalsContact CH2-CD 3.46Å; W304-Q326 HydrophobicContact CH2-CG 4.16Å; W304-Q326 HydrophobicContact CZ3-CG 3.75Å; W304-P330 HydrophobicContact CB-CG 4.23Å; W304-P330 HydrophobicContact CD2-CB 3.49Å; W304-P330 VanDerWaalsContact CD2-CB 3.49Å; W304-P330 HydrophobicContact CD2-CG 3.48Å; W304-P330 VanDerWaalsContact CD2-CG 3.48Å; W304-P330 VanDerWaalsContact CE2-CB 3.43Å; W304-P330 HydrophobicContact CE3-CB 3.66Å; W304-P330 HydrophobicContact CE3-CG 3.5Å; W304-P330 HydrophobicContact CG-CB 4.13Å; W304-P330 HydrophobicContact CG-CG 3.84Å; W304-P330 HydrophobicContact CH2-CB 3.75Å; W304-P330 HydrophobicContact CH2-CG 4.48Å; W304-P330 HydrophobicContact CZ2-CB 3.57Å; W304-P330 HydrophobicContact CZ2-CG 4.47Å; W304-P330 HydrophobicContact CZ3-CB 3.78Å; W304-P330 HydrophobicContact CZ3-CG 4.02Å
305	E	85.5	Confident	69.8	Low	64 Å²	64	93.4 Å²	93.4	30%	0.299	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	126.7	174.8	180	-169.3	173.8	0	0	109.1	R307 F317 I318 H320	E305-R307 HydrophobicContact CG-CG 4.13Å; E305-R307 WeakPolarHBondContact OE1-CG 3.46Å; E305-R307 IonicContact OE1-CZ 2.8Å; E305-R307 IonicContact OE1-NE 3.94Å; E305-R307 PolarHBondContact OE1-NE 2.92Å; E305-R307 IonicContact OE1-NH2 3.01Å; E305-R307 PolarHBondContact OE1-NH2 2.99Å; E305-R307 IonicContact OE2-CZ 2.77Å; E305-R307 IonicContact OE2-NE 3.38Å; E305-R307 PolarHBondContact OE2-NE 2.78Å; E305-R307 IonicContact OE2-NH2 3.19Å; E305-R307 PolarHBondContact OE2-NH2 3.04Å; E305-F317 CarbonylContact O-C 3.56Å; E305-F317 WeakPolarHBondContact O-CA 3.47Å; E305-I318 HydrophobicContact CB-CB 4.41Å; E305-I318 PolarHBondContact N-O 2.85Å; E305-I318 PolarHBondContact O-N 3.34Å; E305-H320 WeakPolarHBondContact CB-NE2 3.35Å; E305-H320 IonicContact OE2-CE1 3.42Å; E305-H320 PolarHBondContact OE2-CE1 3.29Å; E305-H320 IonicContact OE2-NE2 3.78Å; E305-H320 PolarHBondContact OE2-NE2 2.61Å
306	R	88.2	Confident	72.4	Confident	98 Å²	98	88.4 Å²	88.4	37%	0.37	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	125.8	169	173.5	-179.3	70.1	-169.6	-7.2	108.6	D297 L300 Y315 F317	D297-R306 IonicContact OD2-NH2 3.52Å; L300-R306 HydrophobicContact CD1-CB 3.68Å; L300-R306 VanDerWaalsContact CD1-N 3.28Å; R306-Y315 VanDerWaalsContact CD-CD1 3.5Å; R306-Y315 HydrophobicContact CG-CD1 3.51Å; R306-Y315 HydrophobicContact CG-CE1 4.24Å; R306-Y315 HydrophobicContact CG-CG 4.13Å; R306-F317 HydrophobicContact CB-CD1 3.88Å; R306-F317 HydrophobicContact CB-CE1 3.82Å; R306-F317 HydrophobicContact CG-CD1 4.3Å; R306-F317 HydrophobicContact CG-CE1 3.89Å; R306-F317 HydrophobicContact CG-CZ 4.39Å
307	R	89.8	Confident	74.9	Confident	108 Å²	108	81.3 Å²	81.3	41%	0.408	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	155.8	169.9	-69.4	-156.8	-172.8	162.1	8	110.4	E305 Y315 Y316 I318	E305-R307 HydrophobicContact CG-CG 4.13Å; E305-R307 WeakPolarHBondContact OE1-CG 3.46Å; E305-R307 IonicContact OE1-CZ 2.8Å; E305-R307 IonicContact OE1-NE 3.94Å; E305-R307 PolarHBondContact OE1-NE 2.92Å; E305-R307 IonicContact OE1-NH2 3.01Å; E305-R307 PolarHBondContact OE1-NH2 2.99Å; E305-R307 IonicContact OE2-CZ 2.77Å; E305-R307 IonicContact OE2-NE 3.38Å; E305-R307 PolarHBondContact OE2-NE 2.78Å; E305-R307 IonicContact OE2-NH2 3.19Å; E305-R307 PolarHBondContact OE2-NH2 3.04Å; R307-Y315 CarbonylContact O-C 3.54Å; R307-Y315 VanDerWaalsContact O-CA 3.3Å; R307-Y315 WeakPolarHBondContact O-CA 3.5Å; R307-Y316 HydrophobicContact CB-CD1 3.84Å; R307-Y316 HydrophobicContact CB-CE1 3.25Å; R307-Y316 HydrophobicContact CB-CE2 4.18Å; R307-Y316 VanDerWaalsContact CB-CZ 3.46Å; R307-Y316 WeakPolarHBondContact CD-OH 3.25Å; R307-Y316 HydrophobicContact CG-CE1 4.43Å; R307-Y316 PolarHBondContact N-O 3.19Å; R307-Y316 WeakPolarHBondContact O-CD1 3.28Å; R307-Y316 PolarHBondContact O-N 3.43Å; R307-Y316 VanDerWaalsContact O-O 3.1Å; R307-I318 HydrophobicContact CB-CD1 4.47Å; R307-I318 VanDerWaalsContact CD-CD1 3.47Å; R307-I318 HydrophobicContact CG-CD1 3.81Å
308	F	88.7	Confident	77.2	Confident	89 Å²	89	77.2 Å²	77.2	39%	0.39	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	121.2	177.4	-177.9	-101.9	0	0	0	109.1	K310 Q313 Y315	F308-K310 HydrophobicContact CD1-CG 4.31Å; F308-K310 HydrophobicContact CE1-CG 4.43Å; F308-Q313 HydrophobicContact CZ-CB 4.47Å; F308-Y315 HydrophobicContact CB-CD1 3.98Å; F308-Y315 HydrophobicContact CB-CE1 3.89Å; F308-Y315 AromaticContact CD2-CD1 3.91Å; F308-Y315 HydrophobicContact CD2-CD1 3.91Å; F308-Y315 HydrophobicContact CD2-CD2 4.25Å; F308-Y315 AromaticContact CD2-CE1 3.75Å; F308-Y315 HydrophobicContact CD2-CE1 3.75Å; F308-Y315 HydrophobicContact CD2-CE2 4.08Å; F308-Y315 HydrophobicContact CD2-CG 4.18Å; F308-Y315 AromaticContact CD2-CZ 3.83Å; F308-Y315 HydrophobicContact CE2-CE2 4.45Å; F308-Y315 HydrophobicContact CG-CD1 4.46Å; F308-Y315 HydrophobicContact CG-CE1 4.25Å
309	D	83.8	Confident	78.6	Confident	37 Å²	37	74.4 Å²	74.4	20%	0.198	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	112.4	173.8	174.8	18.2	0	0	0	109.8	S311 T312 Q313 K314 Y316 W327	D309-S311 PolarHBondContact O-N 3.12Å; D309-S311 WeakPolarHBondContact OD1-CB 3.46Å; D309-S311 PolarHBondContact OD1-N 2.86Å; D309-S311 PolarHBondContact OD1-OG 3.12Å; D309-S311 PolarHBondContact OD2-OG 2.88Å; D309-T312 WeakPolarHBondContact CB-OG1 3.39Å; D309-T312 VanDerWaalsContact CG-OG1 3.29Å; D309-T312 WeakPolarHBondContact OD2-CB 3.36Å; D309-T312 WeakPolarHBondContact OD2-CG2 3.47Å; D309-T312 PolarHBondContact OD2-N 3.04Å; D309-T312 PolarHBondContact OD2-OG1 3.25Å; D309-Q313 WeakPolarHBondContact O-CA 3.31Å; D309-Q313 PolarHBondContact O-N 2.82Å; D309-K314 PolarHBondContact N-O 2.93Å; D309-Y316 HydrophobicContact CB-CD1 4.1Å; D309-Y316 HydrophobicContact CB-CE1 4.32Å; D309-W327 HydrophobicContact CB-CH2 4.22Å; D309-W327 HydrophobicContact CB-CZ3 4.14Å; D309-W327 WeakPolarHBondContact OD2-CH2 3.39Å
310	K	82.6	Confident	79.2	Confident	173 Å²	173	73.2 Å²	73.2	75%	0.752	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-25	179	-66.6	-176.9	179.5	-179.7	0	112.8	F308 Q313	F308-K310 HydrophobicContact CD1-CG 4.31Å; F308-K310 HydrophobicContact CE1-CG 4.43Å; K310-Q313 PolarHBondContact O-NE2 3.46Å
311	S	77.6	Confident	79.3	Confident	101 Å²	101	78.7 Å²	78.7	71%	0.706	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	-44	-176.7	71.5	0	0	0	0	112.5	D309	D309-S311 PolarHBondContact O-N 3.12Å; D309-S311 WeakPolarHBondContact OD1-CB 3.46Å; D309-S311 PolarHBondContact OD1-N 2.86Å; D309-S311 PolarHBondContact OD1-OG 3.12Å; D309-S311 PolarHBondContact OD2-OG 2.88Å
312	T	80.7	Confident	79.7	Confident	62 Å²	62	80.9 Å²	80.9	38%	0.38	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-9.7	178.2	57.4	0	0	0	0	113.8	D309 K314 W327	D309-T312 WeakPolarHBondContact CB-OG1 3.39Å; D309-T312 VanDerWaalsContact CG-OG1 3.29Å; D309-T312 WeakPolarHBondContact OD2-CB 3.36Å; D309-T312 WeakPolarHBondContact OD2-CG2 3.47Å; D309-T312 PolarHBondContact OD2-N 3.04Å; D309-T312 PolarHBondContact OD2-OG1 3.25Å; T312-K314 PolarHBondContact O-N 3.39Å; T312-W327 HydrophobicContact CG2-CH2 3.93Å; T312-W327 HydrophobicContact CG2-CZ3 4.46Å; T312-W327 WeakPolarHBondContact OG1-CZ3 3.5Å
313	Q	74.7	Confident	80	Confident	136 Å²	136	83.7 Å²	83.7	64%	0.636	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.6	29.2	-170.8	-64.1	-70.2	-58.3	0	0	112.4	F308 D309 K310	F308-Q313 HydrophobicContact CZ-CB 4.47Å; D309-Q313 WeakPolarHBondContact O-CA 3.31Å; D309-Q313 PolarHBondContact O-N 2.82Å; K310-Q313 PolarHBondContact O-NE2 3.46Å
314	K	67.2	Low	79.5	Confident	133 Å²	133	86.1 Å²	86.1	58%	0.578	40%	0.402	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.2	150.8	-179.7	-68.5	178.6	-177.5	-176	0	110.7	D309 T312 W327	D309-K314 PolarHBondContact N-O 2.93Å; T312-K314 PolarHBondContact O-N 3.39Å; K314-W327 HydrophobicContact CB-CE3 4.16Å; K314-W327 HydrophobicContact CB-CZ3 4.04Å
315	Y	82.6	Confident	79.4	Confident	121 Å²	121	89 Å²	89	48%	0.475	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	149.6	165.2	-68.9	-80.3	0	0	0	110	R306 R307 F308	R306-Y315 VanDerWaalsContact CD-CD1 3.5Å; R306-Y315 HydrophobicContact CG-CD1 3.51Å; R306-Y315 HydrophobicContact CG-CE1 4.24Å; R306-Y315 HydrophobicContact CG-CG 4.13Å; R307-Y315 CarbonylContact O-C 3.54Å; R307-Y315 VanDerWaalsContact O-CA 3.3Å; R307-Y315 WeakPolarHBondContact O-CA 3.5Å; F308-Y315 HydrophobicContact CB-CD1 3.98Å; F308-Y315 HydrophobicContact CB-CE1 3.89Å; F308-Y315 AromaticContact CD2-CD1 3.91Å; F308-Y315 HydrophobicContact CD2-CD1 3.91Å; F308-Y315 HydrophobicContact CD2-CD2 4.25Å; F308-Y315 AromaticContact CD2-CE1 3.75Å; F308-Y315 HydrophobicContact CD2-CE1 3.75Å; F308-Y315 HydrophobicContact CD2-CE2 4.08Å; F308-Y315 HydrophobicContact CD2-CG 4.18Å; F308-Y315 AromaticContact CD2-CZ 3.83Å; F308-Y315 HydrophobicContact CE2-CE2 4.45Å; F308-Y315 HydrophobicContact CG-CD1 4.46Å; F308-Y315 HydrophobicContact CG-CE1 4.25Å
316	Y	83.2	Confident	78.7	Confident	54 Å²	54	87.2 Å²	87.2	21%	0.212	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	156.6	168.3	75.8	-78.9	0	0	0	109.2	R307 D309 I318 T325 Q326	R307-Y316 HydrophobicContact CB-CD1 3.84Å; R307-Y316 HydrophobicContact CB-CE1 3.25Å; R307-Y316 HydrophobicContact CB-CE2 4.18Å; R307-Y316 VanDerWaalsContact CB-CZ 3.46Å; R307-Y316 WeakPolarHBondContact CD-OH 3.25Å; R307-Y316 HydrophobicContact CG-CE1 4.43Å; R307-Y316 PolarHBondContact N-O 3.19Å; R307-Y316 WeakPolarHBondContact O-CD1 3.28Å; R307-Y316 PolarHBondContact O-N 3.43Å; R307-Y316 VanDerWaalsContact O-O 3.1Å; D309-Y316 HydrophobicContact CB-CD1 4.1Å; D309-Y316 HydrophobicContact CB-CE1 4.32Å; Y316-I318 HydrophobicContact CD2-CG1 3.94Å; Y316-I318 HydrophobicContact CE2-CD1 3.62Å; Y316-I318 HydrophobicContact CE2-CG1 3.5Å; Y316-T325 HydrophobicContact CD2-CG2 4.48Å; Y316-T325 HydrophobicContact CE2-CG2 4.28Å; Y316-Q326 CarbonylContact C-O 3.54Å; Y316-Q326 WeakPolarHBondContact CA-O 3.32Å; Y316-Q326 WeakPolarHBondContact CB-O 3.37Å
317	F	84.3	Confident	78.1	Confident	12 Å²	12	88.7 Å²	88.7	5%	0.053	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	127.3	-170.9	-57	-94.3	0	0	0	109.8	L300 W304 E305 R306 T325 Q326 E328 D329 P330	L300-F317 HydrophobicContact CD1-CD1 4.37Å; L300-F317 HydrophobicContact CD2-CD1 3.75Å; L300-F317 HydrophobicContact CD2-CE1 3.85Å; W304-F317 HydrophobicContact CE3-CB 3.91Å; W304-F317 HydrophobicContact CZ3-CB 4.08Å; E305-F317 CarbonylContact O-C 3.56Å; E305-F317 WeakPolarHBondContact O-CA 3.47Å; R306-F317 HydrophobicContact CB-CD1 3.88Å; R306-F317 HydrophobicContact CB-CE1 3.82Å; R306-F317 HydrophobicContact CG-CD1 4.3Å; R306-F317 HydrophobicContact CG-CE1 3.89Å; R306-F317 HydrophobicContact CG-CZ 4.39Å; F317-T325 CarbonylContact O-C 3.48Å; F317-T325 WeakPolarHBondContact O-CA 3.26Å; F317-Q326 HydrophobicContact CB-CG 4.25Å; F317-Q326 PolarHBondContact N-O 3.41Å; F317-Q326 PolarHBondContact O-N 2.81Å; F317-E328 VanDerWaalsContact CD2-O 3.25Å; F317-E328 WeakPolarHBondContact CD2-O 3.44Å; F317-D329 HydrophobicContact CD2-CB 4.35Å; F317-D329 HydrophobicContact CE1-CB 4.13Å; F317-D329 WeakPolarHBondContact CE1-OD2 3.42Å; F317-D329 HydrophobicContact CE2-CB 3.73Å; F317-D329 HydrophobicContact CZ-CB 3.59Å; F317-D329 VanDerWaalsContact CZ-CG 3.45Å; F317-D329 WeakPolarHBondContact CZ-OD2 3.27Å; F317-P330 HydrophobicContact CB-CG 4.44Å; F317-P330 HydrophobicContact CD1-CG 4.39Å; F317-P330 VanDerWaalsContact CG-CD 3.46Å
318	I	82.7	Confident	76.8	Confident	20 Å²	20	87.5 Å²	87.5	10%	0.103	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	122.7	-177.8	-53.6	179.3	0	0	0	108.1	W304 E305 R307 Y316 I324 T325	W304-I318 CarbonylContact C-O 3.52Å; W304-I318 VanDerWaalsContact CA-O 3.24Å; W304-I318 WeakPolarHBondContact CA-O 3.19Å; E305-I318 HydrophobicContact CB-CB 4.41Å; E305-I318 PolarHBondContact N-O 2.85Å; E305-I318 PolarHBondContact O-N 3.34Å; R307-I318 HydrophobicContact CB-CD1 4.47Å; R307-I318 VanDerWaalsContact CD-CD1 3.47Å; R307-I318 HydrophobicContact CG-CD1 3.81Å; Y316-I318 HydrophobicContact CD2-CG1 3.94Å; Y316-I318 HydrophobicContact CE2-CD1 3.62Å; Y316-I318 HydrophobicContact CE2-CG1 3.5Å; I318-I324 CarbonylContact C-O 3.56Å; I318-I324 WeakPolarHBondContact CA-O 3.46Å; I318-T325 HydrophobicContact CB-CG2 4.41Å; I318-T325 HydrophobicContact CG1-CG2 3.91Å; I318-T325 HydrophobicContact CG2-CG2 4.25Å
319	N	77.3	Confident	75.7	Confident	10 Å²	10	83.6 Å²	83.6	5%	0.053	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	106.2	168.6	-175	-27.6	0	0	0	109.6	G303 W304 K321 C322 K323 I324	G303-N319 CarbonylContact O-C 3.6Å; G303-N319 WeakPolarHBondContact O-CA 3.05Å; W304-N319 HydrophobicContact CD2-CB 3.8Å; W304-N319 VanDerWaalsContact CE2-ND2 3.3Å; W304-N319 HydrophobicContact CE3-CB 3.79Å; W304-N319 HydrophobicContact CH2-CB 3.74Å; W304-N319 HydrophobicContact CZ2-CB 3.75Å; W304-N319 WeakPolarHBondContact CZ2-ND2 3.5Å; W304-N319 HydrophobicContact CZ3-CB 3.77Å; W304-N319 PolarHBondContact NE1-ND2 3.43Å; N319-K321 VanDerWaalsContact C-N 3.3Å; N319-K321 PolarHBondContact O-N 2.82Å; N319-K321 WeakPolarHBondContact OD1-CA 3.3Å; N319-K321 WeakPolarHBondContact OD1-CB 3.49Å; N319-K321 PolarHBondContact OD1-N 2.81Å; N319-C322 PolarHBondContact ND2-SG 3.14Å; N319-C322 VanDerWaalsContact ND2-SG 3.42Å; N319-C322 PolarHBondContact OD1-N 3.4Å; N319-C322 VanDerWaalsContact OD1-N 3.07Å; N319-K323 VanDerWaalsContact O-CA 3.24Å; N319-K323 WeakPolarHBondContact O-CA 3.19Å; N319-K323 PolarHBondContact O-N 3.02Å; N319-I324 HydrophobicContact CB-CD1 4.43Å; N319-I324 HydrophobicContact CB-CG1 3.69Å; N319-I324 PolarHBondContact N-O 2.97Å; N319-I324 PolarHBondContact O-N 3.21Å
320	H	76.6	Confident	74.3	Confident	76 Å²	76	82.1 Å²	82.1	35%	0.352	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-20.7	180	-63.1	-75.6	0	0	0	114.5	G303 E305 K323	G303-H320 PolarHBondContact O-CD2 2.91Å; G303-H320 VanDerWaalsContact O-CD2 3.32Å; G303-H320 PolarHBondContact O-N 3.34Å; E305-H320 WeakPolarHBondContact CB-NE2 3.35Å; E305-H320 IonicContact OE2-CE1 3.42Å; E305-H320 PolarHBondContact OE2-CE1 3.29Å; E305-H320 IonicContact OE2-NE2 3.78Å; E305-H320 PolarHBondContact OE2-NE2 2.61Å; H320-K323 WeakPolarHBondContact O-CD 3.48Å; H320-K323 WeakPolarHBondContact O-CE 3.26Å; H320-K323 PolarHBondContact O-NZ 2.85Å
321	K	69.4	Low	73.1	Confident	153 Å²	153	77 Å²	77	67%	0.665	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-46.5	175.8	-69.5	178.9	176.5	168.5	0	110.5	P302 N319	P302-K321 WeakPolarHBondContact O-CE 3.29Å; P302-K321 PolarHBondContact O-NZ 3.34Å; P302-K321 VanDerWaalsContact O-NZ 3.09Å; N319-K321 VanDerWaalsContact C-N 3.3Å; N319-K321 PolarHBondContact O-N 2.82Å; N319-K321 WeakPolarHBondContact OD1-CA 3.3Å; N319-K321 WeakPolarHBondContact OD1-CB 3.49Å; N319-K321 PolarHBondContact OD1-N 2.81Å
322	C	72.6	Confident	71.8	Confident	82 Å²	82	77.4 Å²	77.4	55%	0.554	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.7	-5.1	-177.1	-46.3	0	0	0	0	113.9	N319 I324	N319-C322 PolarHBondContact ND2-SG 3.14Å; N319-C322 VanDerWaalsContact ND2-SG 3.42Å; N319-C322 PolarHBondContact OD1-N 3.4Å; N319-C322 VanDerWaalsContact OD1-N 3.07Å; C322-I324 VanDerWaalsContact C-N 3.27Å; C322-I324 HydrophobicContact CB-CG1 4.23Å; C322-I324 HydrophobicContact CB-CG2 4.46Å; C322-I324 PolarHBondContact O-N 3.45Å
323	K	76.2	Confident	70.3	Confident	165 Å²	165	80.6 Å²	80.6	72%	0.717	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.1	36.5	-177	-53.5	-59.1	-175.2	-160.8	0	113.9	N319 H320	N319-K323 VanDerWaalsContact O-CA 3.24Å; N319-K323 WeakPolarHBondContact O-CA 3.19Å; N319-K323 PolarHBondContact O-N 3.02Å; H320-K323 WeakPolarHBondContact O-CD 3.48Å; H320-K323 WeakPolarHBondContact O-CE 3.26Å; H320-K323 PolarHBondContact O-NZ 2.85Å
324	I	64.6	Low	68.9	Low	79 Å²	79	77.1 Å²	77.1	41%	0.405	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	154.2	175.9	62.9	169.6	0	0	0	111.1	W304 I318 N319 C322	W304-I324 HydrophobicContact CH2-CD1 4.17Å; I318-I324 CarbonylContact C-O 3.56Å; I318-I324 WeakPolarHBondContact CA-O 3.46Å; N319-I324 HydrophobicContact CB-CD1 4.43Å; N319-I324 HydrophobicContact CB-CG1 3.69Å; N319-I324 PolarHBondContact N-O 2.97Å; N319-I324 PolarHBondContact O-N 3.21Å; C322-I324 VanDerWaalsContact C-N 3.27Å; C322-I324 HydrophobicContact CB-CG1 4.23Å; C322-I324 HydrophobicContact CB-CG2 4.46Å; C322-I324 PolarHBondContact O-N 3.45Å
325	T	79.3	Confident	68	Low	95 Å²	95	72.5 Å²	72.5	58%	0.583	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.3	140.9	169.3	61.2	0	0	0	0	109.1	Y316 F317 I318	Y316-T325 HydrophobicContact CD2-CG2 4.48Å; Y316-T325 HydrophobicContact CE2-CG2 4.28Å; F317-T325 CarbonylContact O-C 3.48Å; F317-T325 WeakPolarHBondContact O-CA 3.26Å; I318-T325 HydrophobicContact CB-CG2 4.41Å; I318-T325 HydrophobicContact CG1-CG2 3.91Å; I318-T325 HydrophobicContact CG2-CG2 4.25Å
326	Q	70.7	Confident	66.5	Low	28 Å²	28	70.3 Å²	70.3	13%	0.131	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	155.8	177.4	56.9	-177.7	60.2	0	0	110.6	W304 Y316 F317 E328	W304-Q326 VanDerWaalsContact CH2-CD 3.46Å; W304-Q326 HydrophobicContact CH2-CG 4.16Å; W304-Q326 HydrophobicContact CZ3-CG 3.75Å; Y316-Q326 CarbonylContact C-O 3.54Å; Y316-Q326 WeakPolarHBondContact CA-O 3.32Å; Y316-Q326 WeakPolarHBondContact CB-O 3.37Å; F317-Q326 HydrophobicContact CB-CG 4.25Å; F317-Q326 PolarHBondContact N-O 3.41Å; F317-Q326 PolarHBondContact O-N 2.81Å; Q326-E328 WeakPolarHBondContact CG-O 3.22Å; Q326-E328 PolarHBondContact NE2-O 2.8Å
327	W	75.4	Confident	65.2	Low	128 Å²	128	72.4 Å²	72.4	49%	0.485	36%	0.357	S	S	.	.	S	Bend	trans	-82.8	-31.1	177.1	-64.6	104	0	0	0	112.1	D309 T312 K314	D309-W327 HydrophobicContact CB-CH2 4.22Å; D309-W327 HydrophobicContact CB-CZ3 4.14Å; D309-W327 WeakPolarHBondContact OD2-CH2 3.39Å; T312-W327 HydrophobicContact CG2-CH2 3.93Å; T312-W327 HydrophobicContact CG2-CZ3 4.46Å; T312-W327 WeakPolarHBondContact OG1-CZ3 3.5Å; K314-W327 HydrophobicContact CB-CE3 4.16Å; K314-W327 HydrophobicContact CB-CZ3 4.04Å
328	E	63.1	Low	63.8	Low	84 Å²	84	77.6 Å²	77.6	39%	0.393	39%	0.39	S	S	.	.	S	Bend	trans	-79.8	146.2	179.8	-51	80.3	-136.1	0	0	110.9	F317 Q326 R333	F317-E328 VanDerWaalsContact CD2-O 3.25Å; F317-E328 WeakPolarHBondContact CD2-O 3.44Å; Q326-E328 WeakPolarHBondContact CG-O 3.22Å; Q326-E328 PolarHBondContact NE2-O 2.8Å; E328-R333 IonicContact OE2-CZ 2.67Å; E328-R333 IonicContact OE2-NE 3.27Å; E328-R333 IonicContact OE2-NH2 3.16Å; E328-R333 PolarHBondContact OE2-NH2 3.38Å
329	D	65.9	Low	63	Low	7 Å²	7	82 Å²	82	4%	0.037	41%	0.41	C	S	.	.			trans	-67.2	131.7	177.2	-163.4	-52.8	0	0	0	110.5	F317 R331 E332	F317-D329 HydrophobicContact CD2-CB 4.35Å; F317-D329 HydrophobicContact CE1-CB 4.13Å; F317-D329 WeakPolarHBondContact CE1-OD2 3.42Å; F317-D329 HydrophobicContact CE2-CB 3.73Å; F317-D329 HydrophobicContact CZ-CB 3.59Å; F317-D329 VanDerWaalsContact CZ-CG 3.45Å; F317-D329 WeakPolarHBondContact CZ-OD2 3.27Å; D329-R331 VanDerWaalsContact CG-NE 3.29Å; D329-R331 PolarHBondContact O-N 2.97Å; D329-R331 WeakPolarHBondContact OD1-CB 3.46Å; D329-R331 WeakPolarHBondContact OD1-CG 3.38Å; D329-R331 IonicContact OD1-CZ 2.97Å; D329-R331 PolarHBondContact OD1-N 3.19Å; D329-R331 IonicContact OD1-NE 2.81Å; D329-R331 PolarHBondContact OD1-NE 3.36Å; D329-R331 IonicContact OD1-NH2 3.02Å; D329-R331 IonicContact OD2-CZ 3.7Å; D329-R331 IonicContact OD2-NE 3.95Å; D329-R331 PolarHBondContact OD2-NE 2.83Å; D329-R331 IonicContact OD2-NH2 2.79Å; D329-R331 PolarHBondContact OD2-NH2 2.65Å; D329-E332 HydrophobicContact CB-CB 4.02Å; D329-E332 HydrophobicContact CB-CG 3.66Å; D329-E332 WeakPolarHBondContact CB-OE2 3.43Å; D329-E332 WeakPolarHBondContact O-CB 3.31Å; D329-E332 PolarHBondContact O-N 3.31Å
330	P	53.6	Low	63	Low	5 Å²	5	87 Å²	87	3%	0.032	44%	0.443	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-18.6	175.4	26.8	-38.8	0	0	0	113.6	L300 W304 F317 Q374	L300-P330 HydrophobicContact CD2-CG 3.94Å; W304-P330 HydrophobicContact CB-CG 4.23Å; W304-P330 HydrophobicContact CD2-CB 3.49Å; W304-P330 VanDerWaalsContact CD2-CB 3.49Å; W304-P330 HydrophobicContact CD2-CG 3.48Å; W304-P330 VanDerWaalsContact CD2-CG 3.48Å; W304-P330 VanDerWaalsContact CE2-CB 3.43Å; W304-P330 HydrophobicContact CE3-CB 3.66Å; W304-P330 HydrophobicContact CE3-CG 3.5Å; W304-P330 HydrophobicContact CG-CB 4.13Å; W304-P330 HydrophobicContact CG-CG 3.84Å; W304-P330 HydrophobicContact CH2-CB 3.75Å; W304-P330 HydrophobicContact CH2-CG 4.48Å; W304-P330 HydrophobicContact CZ2-CB 3.57Å; W304-P330 HydrophobicContact CZ2-CG 4.47Å; W304-P330 HydrophobicContact CZ3-CB 3.78Å; W304-P330 HydrophobicContact CZ3-CG 4.02Å; F317-P330 HydrophobicContact CB-CG 4.44Å; F317-P330 HydrophobicContact CD1-CG 4.39Å; F317-P330 VanDerWaalsContact CG-CD 3.46Å; P330-Q374 PolarHBondContact O-NE2 2.82Å
331	R	57.7	Low	63.3	Low	67 Å²	67	85.5 Å²	85.5	25%	0.253	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-22.3	174.1	-56.7	170.6	-72.6	-174.4	4.3	112	D297 V298 P301 D329 Q387	D297-R331 IonicContact OD1-NH1 2.63Å; V298-R331 PolarHBondContact O-NH1 2.82Å; P301-R331 HydrophobicContact CG-CG 4.47Å; D329-R331 VanDerWaalsContact CG-NE 3.29Å; D329-R331 PolarHBondContact O-N 2.97Å; D329-R331 WeakPolarHBondContact OD1-CB 3.46Å; D329-R331 WeakPolarHBondContact OD1-CG 3.38Å; D329-R331 IonicContact OD1-CZ 2.97Å; D329-R331 PolarHBondContact OD1-N 3.19Å; D329-R331 IonicContact OD1-NE 2.81Å; D329-R331 PolarHBondContact OD1-NE 3.36Å; D329-R331 IonicContact OD1-NH2 3.02Å; D329-R331 IonicContact OD2-CZ 3.7Å; D329-R331 IonicContact OD2-NE 3.95Å; D329-R331 PolarHBondContact OD2-NE 2.83Å; D329-R331 IonicContact OD2-NH2 2.79Å; D329-R331 PolarHBondContact OD2-NH2 2.65Å; R331-Q387 VanDerWaalsContact O-CG 3.3Å; R331-Q387 WeakPolarHBondContact O-CG 3.45Å; R331-Q387 PolarHBondContact O-NE2 2.81Å; R331-Q387 PolarHBondContact O-OE1 3.3Å; R331-Q387 VanDerWaalsContact O-OE1 3.1Å
332	E	50.7	Low	64	Low	109 Å²	109	80.5 Å²	80.5	51%	0.509	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-19.2	-171.1	-74.3	168.6	-175.6	0	0	114.8	D329 G334	D329-E332 HydrophobicContact CB-CB 4.02Å; D329-E332 HydrophobicContact CB-CG 3.66Å; D329-E332 WeakPolarHBondContact CB-OE2 3.43Å; D329-E332 WeakPolarHBondContact O-CB 3.31Å; D329-E332 PolarHBondContact O-N 3.31Å; E332-G334 PolarHBondContact O-N 2.85Å
333	R	48.1	Very low	64.6	Low	129 Å²	129	82.2 Å²	82.2	49%	0.487	43%	0.43	S	S	.	.	P	Polyproline II helix	trans	-75.5	122.9	176	-75.7	-169.4	-176.2	-166.5	2.4	111.3	E328 Q374	E328-R333 IonicContact OE2-CZ 2.67Å; E328-R333 IonicContact OE2-NE 3.27Å; E328-R333 IonicContact OE2-NH2 3.16Å; E328-R333 PolarHBondContact OE2-NH2 3.38Å; R333-Q374 PolarHBondContact O-NE2 3.45Å; R333-Q374 PolarHBondContact O-OE1 3.14Å
334	G	46.1	Very low	65	Low	63 Å²	63	75.8 Å²	75.8	65%	0.649	41%	0.411	S	S	*	.	P	Polyproline II helix	trans	-59.3	142.7	151.4	0	0	0	0	0	109	E332 D336	E332-G334 PolarHBondContact O-N 2.85Å; G334-D336 PolarHBondContact O-N 3.06Å
335	M	48.9	Very low	66.2	Low	35 Å²	35	74.9 Å²	74.9	17%	0.172	40%	0.402	C	S	.	.	P	Polyproline II helix	trans	-64.2	123.6	-176.6	-70.6	-156.5	-158.3	0	0	110.7	E337 R355 D369 T372 Q374 H375	M335-E337 PolarHBondContact O-N 3.17Å; M335-R355 PolarHBondContact SD-NH2 2.84Å; M335-D369 HydrophobicContact CE-CB 3.63Å; M335-D369 HydrophobicContact SD-CB 3.36Å; M335-D369 WeakPolarHBondContact SD-CB 3.29Å; M335-D369 VanDerWaalsContact SD-CG 3.54Å; M335-T372 HydrophobicContact CB-CG2 4.5Å; M335-T372 HydrophobicContact CG-CG2 4.26Å; M335-T372 HydrophobicContact SD-CG2 4.31Å; M335-T372 PolarHBondContact SD-OG1 3.4Å; M335-T372 VanDerWaalsContact SD-OG1 3.34Å; M335-Q374 HydrophobicContact CE-CB 3.25Å; M335-Q374 HydrophobicContact CE-CG 4.45Å; M335-Q374 VanDerWaalsContact CE-O 3.32Å; M335-Q374 WeakPolarHBondContact CE-O 3.35Å; M335-Q374 HydrophobicContact SD-CB 4.34Å; M335-H375 WeakPolarHBondContact CE-O 3.47Å
336	D	50.4	Low	66.5	Low	76 Å²	76	73 Å²	73	41%	0.406	39%	0.387	S	S	.	.			trans	-67.2	96.1	170.4	-174.8	4.7	0	0	0	109.2	G334 T338	G334-D336 PolarHBondContact O-N 3.06Å; D336-T338 VanDerWaalsContact CG-OG1 3.23Å; D336-T338 PolarHBondContact O-N 3.13Å; D336-T338 VanDerWaalsContact OD1-CB 3.22Å; D336-T338 WeakPolarHBondContact OD1-CB 3.12Å; D336-T338 VanDerWaalsContact OD1-CG2 3.27Å; D336-T338 WeakPolarHBondContact OD1-CG2 3.26Å; D336-T338 PolarHBondContact OD1-N 3.25Å; D336-T338 PolarHBondContact OD1-OG1 3.04Å; D336-T338 PolarHBondContact OD2-OG1 3.43Å
337	E	55.5	Low	67.1	Low	98 Å²	98	74.9 Å²	74.9	46%	0.458	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-5.7	176.1	-65.3	-142.2	152.9	0	0	112.6	M335 Q339 K347 R355	M335-E337 PolarHBondContact O-N 3.17Å; E337-Q339 PolarHBondContact O-N 3.06Å; E337-K347 IonicContact OE1-NZ 3.13Å; E337-K347 PolarHBondContact OE1-NZ 3.34Å; E337-K347 VanDerWaalsContact OE1-NZ 3.14Å; E337-K347 IonicContact OE2-NZ 3.72Å; E337-K347 PolarHBondContact OE2-NZ 3.48Å; E337-R355 IonicContact OE1-NH1 3.51Å; E337-R355 PolarHBondContact OE1-NH1 3.41Å
338	T	56	Low	67.2	Low	121 Å²	121	75 Å²	75	74%	0.742	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-21.4	-179.7	72.4	0	0	0	0	112.7	D336	D336-T338 VanDerWaalsContact CG-OG1 3.23Å; D336-T338 PolarHBondContact O-N 3.13Å; D336-T338 VanDerWaalsContact OD1-CB 3.22Å; D336-T338 WeakPolarHBondContact OD1-CB 3.12Å; D336-T338 VanDerWaalsContact OD1-CG2 3.27Å; D336-T338 WeakPolarHBondContact OD1-CG2 3.26Å; D336-T338 PolarHBondContact OD1-N 3.25Å; D336-T338 PolarHBondContact OD1-OG1 3.04Å; D336-T338 PolarHBondContact OD2-OG1 3.43Å
339	Q	65.4	Low	67.6	Low	113 Å²	113	75.7 Å²	75.7	53%	0.528	40%	0.395	S	S	.	.	S	Bend	trans	-81.5	130.4	172.8	-72.6	-168.8	9.8	0	0	111.6	E337 R371	E337-Q339 PolarHBondContact O-N 3.06Å; Q339-R371 WeakPolarHBondContact O-CD 3.38Å; Q339-R371 PolarHBondContact O-NH1 3.44Å
340	P	77.2	Confident	67.6	Low	114 Å²	114	77.7 Å²	77.7	74%	0.74	41%	0.408	S	S	*	.	P	Polyproline II helix	trans	-62.1	150.6	174	26.9	-33.3	0	0	0	110.9	R371	P340-R371 WeakPolarHBondContact O-CD 3.3Å
341	L	82.2	Confident	67.7	Low	45 Å²	45	82.8 Å²	82.8	24%	0.236	45%	0.45	C	S	.	.	P	Polyproline II helix	trans	-62.1	145.7	171.1	-72.5	167.9	0	0	0	109.9	W345 K347 F357 P370 R371	L341-W345 HydrophobicContact CB-CB 4.04Å; L341-W345 HydrophobicContact CD2-CB 4.49Å; L341-K347 HydrophobicContact CD1-CB 3.93Å; L341-F357 HydrophobicContact CD2-CD1 3.89Å; L341-F357 HydrophobicContact CD2-CE1 3.9Å; L341-P370 HydrophobicContact CD2-CG 3.7Å; L341-R371 HydrophobicContact CD2-CG 4.16Å
342	P	85.4	Confident	67.5	Low	47 Å²	47	87.2 Å²	87.2	31%	0.305	47%	0.473	S	S	.	.	P	Polyproline II helix	trans	-56.7	152.6	173.7	-23.1	34.4	0	0	0	111.2	G344 W345 P370	P342-G344 PolarHBondContact O-N 3.49Å; P342-W345 HydrophobicContact CB-CG 4.49Å; P342-W345 WeakPolarHBondContact O-CB 3.48Å; P342-W345 PolarHBondContact O-N 2.92Å; P342-P370 HydrophobicContact CG-CB 4.11Å; P342-P370 HydrophobicContact CG-CG 4.36Å
343	P	84.1	Confident	67.6	Low	118 Å²	118	83 Å²	83	77%	0.766	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.1	133.3	177.6	-27.4	35	0	0	0	112.4	N361	P343-N361 PolarHBondContact O-ND2 3.23Å
344	G	85.1	Confident	68.2	Low	30 Å²	30	79.7 Å²	79.7	31%	0.309	45%	0.45	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.2	1.6	-177.2	0	0	0	0	0	115.2	P342 H360	P342-G344 PolarHBondContact O-N 3.49Å; G344-H360 WeakPolarHBondContact O-CA 3.38Å; G344-H360 VanDerWaalsContact O-CB 3.23Å; G344-H360 WeakPolarHBondContact O-CB 3.32Å; G344-H360 PolarHBondContact O-CD2 2.82Å; G344-H360 VanDerWaalsContact O-CD2 3.3Å; G344-H360 PolarHBondContact O-N 2.7Å
345	W	89.4	Confident	69.2	Low	60 Å²	60	78.3 Å²	78.3	23%	0.227	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	135.9	175.2	-71.6	77.2	0	0	0	112.5	L341 P342 F357 I358 D359 T366 P370	L341-W345 HydrophobicContact CB-CB 4.04Å; L341-W345 HydrophobicContact CD2-CB 4.49Å; P342-W345 HydrophobicContact CB-CG 4.49Å; P342-W345 WeakPolarHBondContact O-CB 3.48Å; P342-W345 PolarHBondContact O-N 2.92Å; W345-F357 HydrophobicContact CE3-CB 3.88Å; W345-F357 HydrophobicContact CZ3-CB 3.9Å; W345-I358 CarbonylContact C-O 3.59Å; W345-I358 VanDerWaalsContact CA-O 3.31Å; W345-I358 WeakPolarHBondContact CA-O 3.37Å; W345-D359 HydrophobicContact CD2-CB 3.92Å; W345-D359 HydrophobicContact CE3-CB 3.98Å; W345-D359 HydrophobicContact CH2-CB 3.8Å; W345-D359 HydrophobicContact CZ2-CB 3.67Å; W345-D359 HydrophobicContact CZ3-CB 3.95Å; W345-T366 HydrophobicContact CH2-CG2 3.87Å; W345-T366 HydrophobicContact CZ3-CG2 3.51Å; W345-P370 HydrophobicContact CB-CG 4.07Å; W345-P370 HydrophobicContact CD2-CB 3.42Å; W345-P370 VanDerWaalsContact CD2-CB 3.42Å; W345-P370 HydrophobicContact CD2-CG 3.45Å; W345-P370 VanDerWaalsContact CD2-CG 3.45Å; W345-P370 HydrophobicContact CE3-CB 3.54Å; W345-P370 HydrophobicContact CE3-CG 3.35Å; W345-P370 HydrophobicContact CG-CB 4.01Å; W345-P370 HydrophobicContact CG-CG 3.79Å; W345-P370 HydrophobicContact CH2-CB 3.81Å; W345-P370 HydrophobicContact CH2-CG 4.48Å; W345-P370 HydrophobicContact CZ2-CB 3.74Å; W345-P370 HydrophobicContact CZ3-CB 3.7Å; W345-P370 HydrophobicContact CZ3-CG 3.87Å
346	E	85.5	Confident	70.6	Confident	57 Å²	57	78.5 Å²	78.5	27%	0.266	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	137.6	176.6	-179	-176.4	166.4	0	0	110.5	R348 F357 I358 H360	E346-R348 HydrophobicContact CG-CG 4.3Å; E346-R348 IonicContact OE1-CZ 2.72Å; E346-R348 VanDerWaalsContact OE1-CZ 3.31Å; E346-R348 IonicContact OE1-NE 2.84Å; E346-R348 PolarHBondContact OE1-NE 2.86Å; E346-R348 IonicContact OE1-NH2 3.76Å; E346-R348 PolarHBondContact OE1-NH2 3.34Å; E346-F357 CarbonylContact O-C 3.48Å; E346-F357 WeakPolarHBondContact O-CA 3.45Å; E346-I358 HydrophobicContact CB-CB 4.26Å; E346-I358 PolarHBondContact N-O 3.49Å; E346-I358 PolarHBondContact O-N 2.97Å; E346-H360 WeakPolarHBondContact CB-NE2 3.04Å; E346-H360 IonicContact OE2-CD2 2.85Å; E346-H360 IonicContact OE2-CE1 3.48Å; E346-H360 PolarHBondContact OE2-CE1 2.79Å; E346-H360 VanDerWaalsContact OE2-CE1 3.27Å; E346-H360 IonicContact OE2-NE2 3.35Å; E346-H360 PolarHBondContact OE2-NE2 2.71Å
347	K	83.8	Confident	72.2	Confident	66 Å²	66	74.9 Å²	74.9	29%	0.287	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	129.5	171.8	172.7	175.6	68.3	170.7	0	109.1	E337 L341 Y349 R355 F357	E337-K347 IonicContact OE1-NZ 3.13Å; E337-K347 PolarHBondContact OE1-NZ 3.34Å; E337-K347 VanDerWaalsContact OE1-NZ 3.14Å; E337-K347 IonicContact OE2-NZ 3.72Å; E337-K347 PolarHBondContact OE2-NZ 3.48Å; L341-K347 HydrophobicContact CD1-CB 3.93Å; K347-Y349 HydrophobicContact CD-CE2 4.36Å; K347-Y349 HydrophobicContact CG-CE2 4.24Å; K347-R355 HydrophobicContact CD-CG 4.18Å; K347-R355 HydrophobicContact CG-CG 3.93Å; K347-F357 HydrophobicContact CB-CD1 4.22Å; K347-F357 HydrophobicContact CB-CE1 4.14Å; K347-F357 HydrophobicContact CG-CE1 4.27Å
348	R	78.2	Confident	73.6	Confident	131 Å²	131	71.5 Å²	71.5	49%	0.494	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	172.6	170.9	-76.3	-145.2	-175.9	-177.5	4.6	112	E346 R355 F356 I358	E346-R348 HydrophobicContact CG-CG 4.3Å; E346-R348 IonicContact OE1-CZ 2.72Å; E346-R348 VanDerWaalsContact OE1-CZ 3.31Å; E346-R348 IonicContact OE1-NE 2.84Å; E346-R348 PolarHBondContact OE1-NE 2.86Å; E346-R348 IonicContact OE1-NH2 3.76Å; E346-R348 PolarHBondContact OE1-NH2 3.34Å; R348-R355 CarbonylContact O-C 3.58Å; R348-R355 WeakPolarHBondContact O-CA 3.48Å; R348-F356 HydrophobicContact CB-CD1 4.18Å; R348-F356 HydrophobicContact CB-CD2 4.42Å; R348-F356 HydrophobicContact CB-CE1 3.57Å; R348-F356 HydrophobicContact CB-CE2 3.85Å; R348-F356 HydrophobicContact CB-CZ 3.38Å; R348-F356 HydrophobicContact CG-CZ 4.38Å; R348-F356 PolarHBondContact N-O 3.13Å; R348-F356 PolarHBondContact O-N 2.72Å; R348-I358 HydrophobicContact CB-CD1 4.19Å; R348-I358 HydrophobicContact CG-CD1 3.72Å
349	Y	70.9	Confident	75.1	Confident	98 Å²	98	66.4 Å²	66.4	38%	0.384	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	140.8	178.2	-61.5	-95.3	0	0	0	109.5	F221 K347 Q354 R355 F356	F221-Y349 HydrophobicContact CE2-CE2 4.49Å; K347-Y349 HydrophobicContact CD-CE2 4.36Å; K347-Y349 HydrophobicContact CG-CE2 4.24Å; Y349-Q354 CarbonylContact C-O 3.55Å; Y349-Q354 WeakPolarHBondContact CA-O 3.42Å; Y349-R355 HydrophobicContact CD1-CB 3.92Å; Y349-R355 HydrophobicContact CD1-CG 4.37Å; Y349-R355 HydrophobicContact CE1-CB 3.77Å; Y349-R355 HydrophobicContact CE1-CG 4.01Å; Y349-F356 VanDerWaalsContact C-CE1 3.48Å
350	T	65.2	Low	75.9	Confident	50 Å²	50	65 Å²	65	31%	0.307	35%	0.352	S	S	.	.			trans	-71.8	168.4	169.7	69.6	0	0	0	0	109.8	Q352 G353 Q354 F356	T350-Q352 PolarHBondContact O-N 2.81Å; T350-Q352 VanDerWaalsContact O-N 3.09Å; T350-Q352 PolarHBondContact OG1-N 3.36Å; T350-G353 PolarHBondContact O-N 2.8Å; T350-Q354 HydrophobicContact CG2-CB 4.21Å; T350-Q354 PolarHBondContact N-O 2.9Å; T350-Q354 WeakPolarHBondContact OG1-CB 3.45Å; T350-Q354 PolarHBondContact OG1-N 3.01Å; T350-Q354 VanDerWaalsContact OG1-N 3.17Å; T350-F356 HydrophobicContact CG2-CD1 3.86Å; T350-F356 HydrophobicContact CG2-CE1 4.08Å
351	A	56.9	Low	76.2	Confident	111 Å²	111	64.6 Å²	64.6	92%	0.917	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-18.3	172.7	0	0	0	0	0	113.5	G353	A351-G353 VanDerWaalsContact C-N 3.31Å
352	Q	53.6	Low	76.4	Confident	160 Å²	160	66.3 Å²	66.3	75%	0.748	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.1	7.7	176.2	-63.4	158	-9.5	0	0	112.2	T350 Q354	T350-Q352 PolarHBondContact O-N 2.81Å; T350-Q352 VanDerWaalsContact O-N 3.09Å; T350-Q352 PolarHBondContact OG1-N 3.36Å; Q352-Q354 PolarHBondContact O-N 3.36Å
353	G	52.1	Low	76.2	Confident	22 Å²	22	71.9 Å²	71.9	23%	0.227	38%	0.378	C	S	.	.	S	Bend	trans	76	3.2	-176.5	0	0	0	0	0	114.5	T350 A351 R355	T350-G353 PolarHBondContact O-N 2.8Å; A351-G353 VanDerWaalsContact C-N 3.31Å; G353-R355 PolarHBondContact O-N 3.21Å
354	Q	59.5	Low	75.8	Confident	59 Å²	59	69.6 Å²	69.6	28%	0.276	36%	0.361	S	S	.	.			trans	-73.7	121.4	179.7	-171.2	176.9	-13.6	0	0	110.1	Y349 T350 Q352 L367	Y349-Q354 CarbonylContact C-O 3.55Å; Y349-Q354 WeakPolarHBondContact CA-O 3.42Å; T350-Q354 HydrophobicContact CG2-CB 4.21Å; T350-Q354 PolarHBondContact N-O 2.9Å; T350-Q354 WeakPolarHBondContact OG1-CB 3.45Å; T350-Q354 PolarHBondContact OG1-N 3.01Å; T350-Q354 VanDerWaalsContact OG1-N 3.17Å; Q352-Q354 PolarHBondContact O-N 3.36Å; Q354-L367 HydrophobicContact CG-CD2 4.4Å
355	R	69.1	Low	75.7	Confident	34 Å²	34	72.9 Å²	72.9	13%	0.128	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	141.4	176.7	-172.1	178.5	70.5	175.5	11.6	110.8	M335 E337 K347 R348 Y349 G353 F357 L367 D369 A376	M335-R355 PolarHBondContact SD-NH2 2.84Å; E337-R355 IonicContact OE1-NH1 3.51Å; E337-R355 PolarHBondContact OE1-NH1 3.41Å; K347-R355 HydrophobicContact CD-CG 4.18Å; K347-R355 HydrophobicContact CG-CG 3.93Å; R348-R355 CarbonylContact O-C 3.58Å; R348-R355 WeakPolarHBondContact O-CA 3.48Å; Y349-R355 HydrophobicContact CD1-CB 3.92Å; Y349-R355 HydrophobicContact CD1-CG 4.37Å; Y349-R355 HydrophobicContact CE1-CB 3.77Å; Y349-R355 HydrophobicContact CE1-CG 4.01Å; G353-R355 PolarHBondContact O-N 3.21Å; R355-F357 HydrophobicContact CG-CE2 4.47Å; R355-F357 HydrophobicContact CG-CZ 4.35Å; R355-F357 VanDerWaalsContact CZ-CZ 3.45Å; R355-F357 VanDerWaalsContact NE-CZ 3.33Å; R355-L367 WeakPolarHBondContact O-CD2 3.39Å; R355-D369 IonicContact NH2-OD2 3.87Å; R355-A376 HydrophobicContact CB-CB 4.12Å; R355-A376 HydrophobicContact CG-CB 4.46Å; R355-A376 WeakPolarHBondContact O-CB 3.32Å
356	F	77.6	Confident	75.2	Confident	39 Å²	39	72 Å²	72	17%	0.171	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	163.5	168.8	69	-83.1	0	0	0	109.8	R348 Y349 T350 I358 T365 L367	R348-F356 HydrophobicContact CB-CD1 4.18Å; R348-F356 HydrophobicContact CB-CD2 4.42Å; R348-F356 HydrophobicContact CB-CE1 3.57Å; R348-F356 HydrophobicContact CB-CE2 3.85Å; R348-F356 HydrophobicContact CB-CZ 3.38Å; R348-F356 HydrophobicContact CG-CZ 4.38Å; R348-F356 PolarHBondContact N-O 3.13Å; R348-F356 PolarHBondContact O-N 2.72Å; Y349-F356 VanDerWaalsContact C-CE1 3.48Å; T350-F356 HydrophobicContact CG2-CD1 3.86Å; T350-F356 HydrophobicContact CG2-CE1 4.08Å; F356-I358 HydrophobicContact CD2-CG1 3.95Å; F356-I358 HydrophobicContact CE2-CD1 3.79Å; F356-I358 HydrophobicContact CE2-CG1 3.53Å; F356-I358 HydrophobicContact CZ-CD1 4.4Å; F356-T365 HydrophobicContact CD2-CG2 4.26Å; F356-T365 HydrophobicContact CE2-CG2 4.16Å; F356-L367 HydrophobicContact CB-CD2 3.83Å
357	F	84	Confident	74.8	Confident	0 Å²	0	72 Å²	72	0%	0	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	137.5	-179.9	-58.8	-88.2	0	0	0	109.4	L341 W345 E346 K347 R355 T365 T366 V368 D369 A376	L341-F357 HydrophobicContact CD2-CD1 3.89Å; L341-F357 HydrophobicContact CD2-CE1 3.9Å; W345-F357 HydrophobicContact CE3-CB 3.88Å; W345-F357 HydrophobicContact CZ3-CB 3.9Å; E346-F357 CarbonylContact O-C 3.48Å; E346-F357 WeakPolarHBondContact O-CA 3.45Å; K347-F357 HydrophobicContact CB-CD1 4.22Å; K347-F357 HydrophobicContact CB-CE1 4.14Å; K347-F357 HydrophobicContact CG-CE1 4.27Å; R355-F357 HydrophobicContact CG-CE2 4.47Å; R355-F357 HydrophobicContact CG-CZ 4.35Å; R355-F357 VanDerWaalsContact CZ-CZ 3.45Å; R355-F357 VanDerWaalsContact NE-CZ 3.33Å; F357-T365 CarbonylContact O-C 3.58Å; F357-T365 VanDerWaalsContact O-CA 3.3Å; F357-T365 WeakPolarHBondContact O-CA 3.4Å; F357-T366 HydrophobicContact CB-CG2 4.17Å; F357-T366 PolarHBondContact N-O 3.2Å; F357-T366 PolarHBondContact O-N 3.28Å; F357-V368 WeakPolarHBondContact CD2-O 3.41Å; F357-D369 HydrophobicContact CD2-CB 4.17Å; F357-D369 HydrophobicContact CE1-CB 4.17Å; F357-D369 WeakPolarHBondContact CE1-OD2 3.34Å; F357-D369 HydrophobicContact CE2-CB 3.42Å; F357-D369 VanDerWaalsContact CE2-CB 3.42Å; F357-D369 HydrophobicContact CZ-CB 3.42Å; F357-D369 VanDerWaalsContact CZ-CB 3.42Å; F357-D369 WeakPolarHBondContact CZ-OD2 3.45Å; F357-A376 HydrophobicContact CD2-CB 4.46Å; F357-A376 HydrophobicContact CE2-CB 3.9Å
358	I	84.7	Confident	74.4	Confident	27 Å²	27	71.5 Å²	71.5	14%	0.138	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	121.2	178.6	-52	176.6	0	0	0	106.5	W345 E346 R348 F356 T365	W345-I358 CarbonylContact C-O 3.59Å; W345-I358 VanDerWaalsContact CA-O 3.31Å; W345-I358 WeakPolarHBondContact CA-O 3.37Å; E346-I358 HydrophobicContact CB-CB 4.26Å; E346-I358 PolarHBondContact N-O 3.49Å; E346-I358 PolarHBondContact O-N 2.97Å; R348-I358 HydrophobicContact CB-CD1 4.19Å; R348-I358 HydrophobicContact CG-CD1 3.72Å; F356-I358 HydrophobicContact CD2-CG1 3.95Å; F356-I358 HydrophobicContact CE2-CD1 3.79Å; F356-I358 HydrophobicContact CE2-CG1 3.53Å; F356-I358 HydrophobicContact CZ-CD1 4.4Å; I358-T365 HydrophobicContact CG1-CG2 4.13Å; I358-T365 HydrophobicContact CG2-CG2 4.46Å
359	D	87.4	Confident	74.3	Confident	14 Å²	14	65.3 Å²	65.3	8%	0.075	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	100.9	169.7	-179.2	11.5	0	0	0	108.6	W345 N361 T362 H363 T364	W345-D359 HydrophobicContact CD2-CB 3.92Å; W345-D359 HydrophobicContact CE3-CB 3.98Å; W345-D359 HydrophobicContact CH2-CB 3.8Å; W345-D359 HydrophobicContact CZ2-CB 3.67Å; W345-D359 HydrophobicContact CZ3-CB 3.95Å; D359-N361 PolarHBondContact O-N 3.45Å; D359-N361 WeakPolarHBondContact OD1-CB 3.47Å; D359-N361 PolarHBondContact OD1-N 3.36Å; D359-N361 PolarHBondContact OD1-ND2 3.04Å; D359-T362 VanDerWaalsContact CG-OG1 3.25Å; D359-T362 PolarHBondContact O-N 2.72Å; D359-T362 WeakPolarHBondContact OD2-CB 3.33Å; D359-T362 VanDerWaalsContact OD2-CG2 3.3Å; D359-T362 WeakPolarHBondContact OD2-CG2 3.41Å; D359-T362 PolarHBondContact OD2-OG1 3.3Å; D359-H363 VanDerWaalsContact O-CA 3.26Å; D359-H363 WeakPolarHBondContact O-CA 3.08Å; D359-H363 PolarHBondContact O-N 2.84Å; D359-T364 PolarHBondContact N-O 2.95Å; D359-T364 PolarHBondContact O-N 2.66Å
360	H	83.1	Confident	74.6	Confident	84 Å²	84	62.4 Å²	62.4	39%	0.389	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-16.6	175.7	-65.7	-76.2	0	0	0	112.8	G344 E346	G344-H360 WeakPolarHBondContact O-CA 3.38Å; G344-H360 VanDerWaalsContact O-CB 3.23Å; G344-H360 WeakPolarHBondContact O-CB 3.32Å; G344-H360 PolarHBondContact O-CD2 2.82Å; G344-H360 VanDerWaalsContact O-CD2 3.3Å; G344-H360 PolarHBondContact O-N 2.7Å; E346-H360 WeakPolarHBondContact CB-NE2 3.04Å; E346-H360 IonicContact OE2-CD2 2.85Å; E346-H360 IonicContact OE2-CE1 3.48Å; E346-H360 PolarHBondContact OE2-CE1 2.79Å; E346-H360 VanDerWaalsContact OE2-CE1 3.27Å; E346-H360 IonicContact OE2-NE2 3.35Å; E346-H360 PolarHBondContact OE2-NE2 2.71Å
361	N	82.1	Confident	75.1	Confident	104 Å²	104	62.2 Å²	62.2	56%	0.556	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75	-35.9	177	-51.4	-67.3	0	0	0	111.6	P343 D359	P343-N361 PolarHBondContact O-ND2 3.23Å; D359-N361 PolarHBondContact O-N 3.45Å; D359-N361 WeakPolarHBondContact OD1-CB 3.47Å; D359-N361 PolarHBondContact OD1-N 3.36Å; D359-N361 PolarHBondContact OD1-ND2 3.04Å
362	T	86.3	Confident	75.5	Confident	81 Å²	81	59 Å²	59	50%	0.497	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.3	-3.5	-179.8	60.7	0	0	0	0	113.5	D359 T364	D359-T362 VanDerWaalsContact CG-OG1 3.25Å; D359-T362 PolarHBondContact O-N 2.72Å; D359-T362 WeakPolarHBondContact OD2-CB 3.33Å; D359-T362 VanDerWaalsContact OD2-CG2 3.3Å; D359-T362 WeakPolarHBondContact OD2-CG2 3.41Å; D359-T362 PolarHBondContact OD2-OG1 3.3Å; T362-T364 PolarHBondContact O-N 2.9Å; T362-T364 PolarHBondContact OG1-OG1 2.94Å
363	H	81.1	Confident	76	Confident	165 Å²	165	53.5 Å²	53.5	76%	0.764	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.5	39	-172.5	-60.2	-71.3	0	0	0	112.9	D359	D359-H363 VanDerWaalsContact O-CA 3.26Å; D359-H363 WeakPolarHBondContact O-CA 3.08Å; D359-H363 PolarHBondContact O-N 2.84Å
364	T	77.1	Confident	76.3	Confident	70 Å²	70	54.2 Å²	54.2	43%	0.429	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	158	177.8	63.3	0	0	0	0	111.4	D359 T362	D359-T364 PolarHBondContact N-O 2.95Å; D359-T364 PolarHBondContact O-N 2.66Å; T362-T364 PolarHBondContact O-N 2.9Å; T362-T364 PolarHBondContact OG1-OG1 2.94Å
365	T	83.4	Confident	76.4	Confident	98 Å²	98	56 Å²	56	60%	0.601	31%	0.305	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.9	146.5	169.1	61.9	0	0	0	0	109.1	F356 F357 I358	F356-T365 HydrophobicContact CD2-CG2 4.26Å; F356-T365 HydrophobicContact CE2-CG2 4.16Å; F357-T365 CarbonylContact O-C 3.58Å; F357-T365 VanDerWaalsContact O-CA 3.3Å; F357-T365 WeakPolarHBondContact O-CA 3.4Å; I358-T365 HydrophobicContact CG1-CG2 4.13Å; I358-T365 HydrophobicContact CG2-CG2 4.46Å
366	T	78	Confident	75.7	Confident	43 Å²	43	54.4 Å²	54.4	26%	0.264	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	148.4	179.1	-179.7	0	0	0	0	110.3	W345 F357 V368	W345-T366 HydrophobicContact CH2-CG2 3.87Å; W345-T366 HydrophobicContact CZ3-CG2 3.51Å; F357-T366 HydrophobicContact CB-CG2 4.17Å; F357-T366 PolarHBondContact N-O 3.2Å; F357-T366 PolarHBondContact O-N 3.28Å; T366-V368 VanDerWaalsContact CG2-O 3.26Å; T366-V368 WeakPolarHBondContact CG2-O 3.2Å; T366-V368 PolarHBondContact O-N 2.96Å; T366-V368 WeakPolarHBondContact OG1-CB 3.41Å; T366-V368 PolarHBondContact OG1-N 3.21Å
367	L	76.2	Confident	74.4	Confident	57 Å²	57	54.1 Å²	54.1	30%	0.298	31%	0.307	S	S	.	.	S	Bend	trans	-83.2	9.3	167.8	-61.4	174.2	0	0	0	110.8	Q354 R355 F356 H375 A376	Q354-L367 HydrophobicContact CG-CD2 4.4Å; R355-L367 WeakPolarHBondContact O-CD2 3.39Å; F356-L367 HydrophobicContact CB-CD2 3.83Å; L367-H375 WeakPolarHBondContact CB-CE1 3.39Å; L367-H375 WeakPolarHBondContact CB-NE2 3.37Å; L367-H375 VanDerWaalsContact CD1-CE1 3.46Å; L367-H375 WeakPolarHBondContact CD1-CE1 3.34Å; L367-H375 CarbonylContact O-C 3.56Å; L367-H375 WeakPolarHBondContact O-CA 3.44Å; L367-A376 WeakPolarHBondContact O-CA 3.31Å; L367-A376 WeakPolarHBondContact O-CB 3.23Å; L367-A376 PolarHBondContact O-N 3.47Å
368	V	76.8	Confident	72.7	Confident	55 Å²	55	57.7 Å²	57.7	33%	0.333	33%	0.332	S	S	.	.	B	Isolated β-bridge	trans	-107.2	124.9	-179.3	-177.5	0	0	0	0	109.7	F357 T366 G373 Q374	F357-V368 WeakPolarHBondContact CD2-O 3.41Å; T366-V368 VanDerWaalsContact CG2-O 3.26Å; T366-V368 WeakPolarHBondContact CG2-O 3.2Å; T366-V368 PolarHBondContact O-N 2.96Å; T366-V368 WeakPolarHBondContact OG1-CB 3.41Å; T366-V368 PolarHBondContact OG1-N 3.21Å; V368-G373 VanDerWaalsContact CG1-C 3.42Å; V368-G373 WeakPolarHBondContact CG1-O 3.03Å; V368-Q374 CarbonylContact C-O 3.56Å; V368-Q374 WeakPolarHBondContact CA-O 3.43Å
369	D	75.8	Confident	70.8	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	35%	0.345	C	S	.	.			trans	-66.3	123.9	176.6	-169.6	-43.8	0	0	0	110	M335 R355 F357 R371 T372 G373 Q374	M335-D369 HydrophobicContact CE-CB 3.63Å; M335-D369 HydrophobicContact SD-CB 3.36Å; M335-D369 WeakPolarHBondContact SD-CB 3.29Å; M335-D369 VanDerWaalsContact SD-CG 3.54Å; R355-D369 IonicContact NH2-OD2 3.87Å; F357-D369 HydrophobicContact CD2-CB 4.17Å; F357-D369 HydrophobicContact CE1-CB 4.17Å; F357-D369 WeakPolarHBondContact CE1-OD2 3.34Å; F357-D369 HydrophobicContact CE2-CB 3.42Å; F357-D369 VanDerWaalsContact CE2-CB 3.42Å; F357-D369 HydrophobicContact CZ-CB 3.42Å; F357-D369 VanDerWaalsContact CZ-CB 3.42Å; F357-D369 WeakPolarHBondContact CZ-OD2 3.45Å; D369-R371 PolarHBondContact O-N 2.95Å; D369-R371 VanDerWaalsContact OD1-CB 3.24Å; D369-R371 WeakPolarHBondContact OD1-CB 3.33Å; D369-R371 WeakPolarHBondContact OD1-CG 3.5Å; D369-R371 IonicContact OD1-CZ 2.96Å; D369-R371 PolarHBondContact OD1-N 3.24Å; D369-R371 IonicContact OD1-NE 3.97Å; D369-R371 PolarHBondContact OD1-NE 2.99Å; D369-R371 IonicContact OD1-NH2 2.8Å; D369-R371 IonicContact OD2-CZ 3.98Å; D369-R371 IonicContact OD2-NE 3.49Å; D369-R371 PolarHBondContact OD2-NE 3.28Å; D369-R371 IonicContact OD2-NH2 3.73Å; D369-R371 PolarHBondContact OD2-NH2 3.35Å; D369-T372 PolarHBondContact O-N 2.96Å; D369-G373 WeakPolarHBondContact O-CA 3.24Å; D369-G373 PolarHBondContact O-N 2.98Å; D369-Q374 PolarHBondContact N-O 3.14Å
370	P	77.6	Confident	68.7	Low	38 Å²	38	60 Å²	60	25%	0.247	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-19.4	-177.6	30.5	-40.5	0	0	0	113.8	L341 P342 W345	L341-P370 HydrophobicContact CD2-CG 3.7Å; P342-P370 HydrophobicContact CG-CB 4.11Å; P342-P370 HydrophobicContact CG-CG 4.36Å; W345-P370 HydrophobicContact CB-CG 4.07Å; W345-P370 HydrophobicContact CD2-CB 3.42Å; W345-P370 VanDerWaalsContact CD2-CB 3.42Å; W345-P370 HydrophobicContact CD2-CG 3.45Å; W345-P370 VanDerWaalsContact CD2-CG 3.45Å; W345-P370 HydrophobicContact CE3-CB 3.54Å; W345-P370 HydrophobicContact CE3-CG 3.35Å; W345-P370 HydrophobicContact CG-CB 4.01Å; W345-P370 HydrophobicContact CG-CG 3.79Å; W345-P370 HydrophobicContact CH2-CB 3.81Å; W345-P370 HydrophobicContact CH2-CG 4.48Å; W345-P370 HydrophobicContact CZ2-CB 3.74Å; W345-P370 HydrophobicContact CZ3-CB 3.7Å; W345-P370 HydrophobicContact CZ3-CG 3.87Å
371	R	74.9	Confident	66.9	Low	46 Å²	46	60.7 Å²	60.7	17%	0.174	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-41.6	-179.5	-59	168.1	-71.5	-176.7	2.8	111.5	Q339 P340 L341 D369	Q339-R371 WeakPolarHBondContact O-CD 3.38Å; Q339-R371 PolarHBondContact O-NH1 3.44Å; P340-R371 WeakPolarHBondContact O-CD 3.3Å; L341-R371 HydrophobicContact CD2-CG 4.16Å; D369-R371 PolarHBondContact O-N 2.95Å; D369-R371 VanDerWaalsContact OD1-CB 3.24Å; D369-R371 WeakPolarHBondContact OD1-CB 3.33Å; D369-R371 WeakPolarHBondContact OD1-CG 3.5Å; D369-R371 IonicContact OD1-CZ 2.96Å; D369-R371 PolarHBondContact OD1-N 3.24Å; D369-R371 IonicContact OD1-NE 3.97Å; D369-R371 PolarHBondContact OD1-NE 2.99Å; D369-R371 IonicContact OD1-NH2 2.8Å; D369-R371 IonicContact OD2-CZ 3.98Å; D369-R371 IonicContact OD2-NE 3.49Å; D369-R371 PolarHBondContact OD2-NE 3.28Å; D369-R371 IonicContact OD2-NH2 3.73Å; D369-R371 PolarHBondContact OD2-NH2 3.35Å
372	T	65.7	Low	65	Low	43 Å²	43	57.4 Å²	57.4	26%	0.264	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.8	-18.5	-169.3	64	0	0	0	0	113.2	M335 D369 Q374	M335-T372 HydrophobicContact CB-CG2 4.5Å; M335-T372 HydrophobicContact CG-CG2 4.26Å; M335-T372 HydrophobicContact SD-CG2 4.31Å; M335-T372 PolarHBondContact SD-OG1 3.4Å; M335-T372 VanDerWaalsContact SD-OG1 3.34Å; D369-T372 PolarHBondContact O-N 2.96Å; T372-Q374 PolarHBondContact O-N 3.21Å; T372-Q374 WeakPolarHBondContact OG1-CB 3.46Å; T372-Q374 PolarHBondContact OG1-N 3.31Å
373	G	64	Low	62.8	Low	44 Å²	44	54.8 Å²	54.8	45%	0.454	33%	0.332	S	S	.	.			trans	69.1	7.6	-170.9	0	0	0	0	0	113.8	V368 D369	V368-G373 VanDerWaalsContact CG1-C 3.42Å; V368-G373 WeakPolarHBondContact CG1-O 3.03Å; D369-G373 WeakPolarHBondContact O-CA 3.24Å; D369-G373 PolarHBondContact O-N 2.98Å
374	Q	57.3	Low	60.9	Low	37 Å²	37	48.9 Å²	48.9	17%	0.173	31%	0.307	C	S	.	.			trans	-83.9	146.3	178	-71.9	-179.2	-9.4	0	0	110.1	P330 R333 M335 V368 D369 T372 A376	P330-Q374 PolarHBondContact O-NE2 2.82Å; R333-Q374 PolarHBondContact O-NE2 3.45Å; R333-Q374 PolarHBondContact O-OE1 3.14Å; M335-Q374 HydrophobicContact CE-CB 3.25Å; M335-Q374 HydrophobicContact CE-CG 4.45Å; M335-Q374 VanDerWaalsContact CE-O 3.32Å; M335-Q374 WeakPolarHBondContact CE-O 3.35Å; M335-Q374 HydrophobicContact SD-CB 4.34Å; V368-Q374 CarbonylContact C-O 3.56Å; V368-Q374 WeakPolarHBondContact CA-O 3.43Å; D369-Q374 PolarHBondContact N-O 3.14Å; T372-Q374 PolarHBondContact O-N 3.21Å; T372-Q374 WeakPolarHBondContact OG1-CB 3.46Å; T372-Q374 PolarHBondContact OG1-N 3.31Å; Q374-A376 PolarHBondContact O-N 3.08Å
375	H	62.2	Low	59.4	Low	97 Å²	97	49.1 Å²	49.1	45%	0.449	31%	0.31	S	S	.	.	B	Isolated β-bridge	trans	-64.3	125.8	170.3	-158.1	-83.8	0	0	0	108.2	M335 L367 G377	M335-H375 WeakPolarHBondContact CE-O 3.47Å; L367-H375 WeakPolarHBondContact CB-CE1 3.39Å; L367-H375 WeakPolarHBondContact CB-NE2 3.37Å; L367-H375 VanDerWaalsContact CD1-CE1 3.46Å; L367-H375 WeakPolarHBondContact CD1-CE1 3.34Å; L367-H375 CarbonylContact O-C 3.56Å; L367-H375 WeakPolarHBondContact O-CA 3.44Å; H375-G377 VanDerWaalsContact C-N 3.33Å; H375-G377 VanDerWaalsContact O-CA 3.31Å; H375-G377 WeakPolarHBondContact O-CA 3.45Å; H375-G377 PolarHBondContact O-N 3.49Å
376	A	55.6	Low	57.8	Low	1 Å²	1	47.4 Å²	47.4	1%	0.008	30%	0.297	C	S	.	.			trans	-37.9	101.9	157.5	0	0	0	0	0	107	R355 F357 L367 Q374 S378	R355-A376 HydrophobicContact CB-CB 4.12Å; R355-A376 HydrophobicContact CG-CB 4.46Å; R355-A376 WeakPolarHBondContact O-CB 3.32Å; F357-A376 HydrophobicContact CD2-CB 4.46Å; F357-A376 HydrophobicContact CE2-CB 3.9Å; L367-A376 WeakPolarHBondContact O-CA 3.31Å; L367-A376 WeakPolarHBondContact O-CB 3.23Å; L367-A376 PolarHBondContact O-N 3.47Å; Q374-A376 PolarHBondContact O-N 3.08Å; A376-S378 PolarHBondContact O-N 3.3Å
377	G	50.4	Low	56.5	Low	33 Å²	33	47.4 Å²	47.4	34%	0.34	29%	0.294	S	S	.	.	P	Polyproline II helix	trans	-53.9	137.9	-155.8	0	0	0	0	0	110.7	H375 L379	H375-G377 VanDerWaalsContact C-N 3.33Å; H375-G377 VanDerWaalsContact O-CA 3.31Å; H375-G377 WeakPolarHBondContact O-CA 3.45Å; H375-G377 PolarHBondContact O-N 3.49Å; G377-L379 PolarHBondContact O-N 2.7Å; G377-L379 VanDerWaalsContact O-N 3.14Å
378	S	46.8	Very low	55.2	Low	74 Å²	74	48.5 Å²	48.5	52%	0.517	29%	0.294	S	S	.	.	P	Polyproline II helix	trans	-51.5	125.1	155.3	-69.2	0	0	0	0	106.6	A376 G380 L386	A376-S378 PolarHBondContact O-N 3.3Å; S378-G380 PolarHBondContact O-N 3.35Å; S378-L386 VanDerWaalsContact O-CB 3.29Å; S378-L386 WeakPolarHBondContact O-CB 3.47Å; S378-L386 PolarHBondContact O-N 2.96Å
379	L	46.2	Very low	54.1	Low	80 Å²	80	46.7 Å²	46.7	42%	0.419	28%	0.283	S	S	.	.	B	Isolated β-bridge	trans	-61.8	132	167.4	-66.3	157.5	0	0	0	106.3	G377 G383 V384	G377-L379 PolarHBondContact O-N 2.7Å; G377-L379 VanDerWaalsContact O-N 3.14Å; L379-G383 WeakPolarHBondContact CD2-O 3.49Å; L379-V384 CarbonylContact C-O 3.6Å; L379-V384 WeakPolarHBondContact CA-O 3.31Å
380	G	41.8	Very low	53.3	Low	11 Å²	11	52.3 Å²	52.3	11%	0.113	30%	0.304	C	S	.	.			trans	-72.4	-178.7	169.5	0	0	0	0	0	111.1	S378 M382 G383 V384 E389	S378-G380 PolarHBondContact O-N 3.35Å; G380-M382 PolarHBondContact O-N 2.97Å; G380-M382 VanDerWaalsContact O-N 3.12Å; G380-G383 PolarHBondContact O-N 3.34Å; G380-V384 PolarHBondContact N-O 2.96Å; G380-E389 WeakPolarHBondContact CA-OE2 3.3Å
381	S	46	Very low	52.7	Low	98 Å²	98	53.9 Å²	53.9	69%	0.685	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-21.8	178.2	59	0	0	0	0	113.1	G383 E389	S381-G383 VanDerWaalsContact C-N 3.34Å; S381-E389 PolarHBondContact N-OE1 3.32Å; S381-E389 PolarHBondContact N-OE2 2.78Å; S381-E389 PolarHBondContact OG-OE1 2.83Å; S381-E389 VanDerWaalsContact OG-OE1 3.08Å; S381-E389 PolarHBondContact OG-OE2 2.9Å
382	M	43	Very low	52.1	Low	35 Å²	35	51.7 Å²	51.7	17%	0.172	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	5.3	177.1	-57.9	175	-159.9	0	0	114.2	G380 V384 E389 F392 M648	G380-M382 PolarHBondContact O-N 2.97Å; G380-M382 VanDerWaalsContact O-N 3.12Å; M382-V384 HydrophobicContact CB-CG2 3.97Å; M382-V384 PolarHBondContact O-N 3.01Å; M382-E389 HydrophobicContact CE-CG 3.7Å; M382-E389 HydrophobicContact CG-CG 4.3Å; M382-E389 PolarHBondContact N-OE2 3.29Å; M382-E389 HydrophobicContact SD-CG 4.02Å; M382-F392 HydrophobicContact CE-CD1 4.04Å; M382-F392 HydrophobicContact CE-CE1 4.44Å; M382-F392 HydrophobicContact SD-CD1 4.05Å; M382-F392 HydrophobicContact SD-CE1 4.43Å; M382-M648 HydrophobicContact CG-CE 4.32Å
383	G	38.7	Very low	52.2	Low	25 Å²	25	55 Å²	55	26%	0.258	31%	0.309	S	S	.	.	S	Bend	trans	68.7	14.5	-176.6	0	0	0	0	0	114.2	L379 G380 S381	L379-G383 WeakPolarHBondContact CD2-O 3.49Å; G380-G383 PolarHBondContact O-N 3.34Å; S381-G383 VanDerWaalsContact C-N 3.34Å
384	V	40.9	Very low	52.5	Low	41 Å²	41	56.4 Å²	56.4	25%	0.248	31%	0.312	C	S	.	.	S	Bend	trans	-108.2	162	173.1	-60.3	0	0	0	0	109.3	L379 G380 M382 L386 Y388 E389	L379-V384 CarbonylContact C-O 3.6Å; L379-V384 WeakPolarHBondContact CA-O 3.31Å; G380-V384 PolarHBondContact N-O 2.96Å; M382-V384 HydrophobicContact CB-CG2 3.97Å; M382-V384 PolarHBondContact O-N 3.01Å; V384-L386 PolarHBondContact O-N 2.85Å; V384-Y388 HydrophobicContact CB-CD1 4.11Å; V384-Y388 HydrophobicContact CG1-CD1 4.48Å; V384-Y388 HydrophobicContact CG2-CD1 3.7Å; V384-Y388 HydrophobicContact CG2-CG 4.45Å; V384-E389 HydrophobicContact CG2-CB 4Å
385	P	45.8	Very low	53.5	Low	76 Å²	76	57.2 Å²	57.2	49%	0.494	32%	0.315	S	S	.	.	B	Isolated β-bridge	trans	-50.8	128.2	173.7	-27.3	35.8	0	0	0	111	Q387 Y388 E389	P385-Q387 PolarHBondContact O-N 3.32Å; P385-Y388 WeakPolarHBondContact O-CA 3.43Å; P385-Y388 VanDerWaalsContact O-CB 3.32Å; P385-Y388 WeakPolarHBondContact O-CB 3.31Å; P385-Y388 PolarHBondContact O-N 3.17Å; P385-E389 PolarHBondContact O-N 2.93Å
386	L	50.3	Low	54.2	Low	61 Å²	61	53.1 Å²	53.1	32%	0.319	30%	0.297	S	S	.	.	H	α-helix	trans	-49.3	-31.1	-175.5	-170.3	80.2	0	0	0	113.3	S378 V384 E389 R390	S378-L386 VanDerWaalsContact O-CB 3.29Å; S378-L386 WeakPolarHBondContact O-CB 3.47Å; S378-L386 PolarHBondContact O-N 2.96Å; V384-L386 PolarHBondContact O-N 2.85Å; L386-E389 PolarHBondContact O-N 3.02Å; L386-R390 WeakPolarHBondContact O-CG 3.35Å; L386-R390 PolarHBondContact O-N 3.09Å
387	Q	51.1	Low	55.2	Low	44 Å²	44	57.4 Å²	57.4	21%	0.206	32%	0.32	C	S	.	.	H	α-helix	trans	-66.5	-41.5	177.2	-166.9	62	24.2	0	0	112.9	R331 P385 E389 R390 N391	R331-Q387 VanDerWaalsContact O-CG 3.3Å; R331-Q387 WeakPolarHBondContact O-CG 3.45Å; R331-Q387 PolarHBondContact O-NE2 2.81Å; R331-Q387 PolarHBondContact O-OE1 3.3Å; R331-Q387 VanDerWaalsContact O-OE1 3.1Å; P385-Q387 PolarHBondContact O-N 3.32Å; Q387-E389 VanDerWaalsContact C-N 3.34Å; Q387-R390 PolarHBondContact O-N 2.99Å; Q387-N391 WeakPolarHBondContact O-CB 3.42Å; Q387-N391 VanDerWaalsContact O-CG 3.26Å; Q387-N391 PolarHBondContact O-N 3.3Å
388	Y	49.2	Very low	56.9	Low	79 Å²	79	61.7 Å²	61.7	31%	0.31	33%	0.326	S	S	.	.	H	α-helix	trans	-62	-45.9	174.1	-178.4	-86.8	0	0	0	110.1	V384 P385 R390 N391 F392 D637 E640	V384-Y388 HydrophobicContact CB-CD1 4.11Å; V384-Y388 HydrophobicContact CG1-CD1 4.48Å; V384-Y388 HydrophobicContact CG2-CD1 3.7Å; V384-Y388 HydrophobicContact CG2-CG 4.45Å; P385-Y388 WeakPolarHBondContact O-CA 3.43Å; P385-Y388 VanDerWaalsContact O-CB 3.32Å; P385-Y388 WeakPolarHBondContact O-CB 3.31Å; P385-Y388 PolarHBondContact O-N 3.17Å; Y388-R390 PolarHBondContact O-N 3.27Å; Y388-N391 PolarHBondContact O-N 2.76Å; Y388-F392 WeakPolarHBondContact O-CB 3.47Å; Y388-F392 PolarHBondContact O-N 3.19Å; Y388-D637 PolarHBondContact OH-OD2 2.9Å; Y388-E640 WeakPolarHBondContact OH-CG 3.13Å
389	E	52.7	Low	58.9	Low	18 Å²	18	58.1 Å²	58.1	8%	0.084	30%	0.302	C	S	.	.	H	α-helix	trans	-59	-44.9	176.7	-180	176.1	128.9	0	0	112.6	G380 S381 M382 V384 P385 L386 Q387 F392 R393	G380-E389 WeakPolarHBondContact CA-OE2 3.3Å; S381-E389 PolarHBondContact N-OE1 3.32Å; S381-E389 PolarHBondContact N-OE2 2.78Å; S381-E389 PolarHBondContact OG-OE1 2.83Å; S381-E389 VanDerWaalsContact OG-OE1 3.08Å; S381-E389 PolarHBondContact OG-OE2 2.9Å; M382-E389 HydrophobicContact CE-CG 3.7Å; M382-E389 HydrophobicContact CG-CG 4.3Å; M382-E389 PolarHBondContact N-OE2 3.29Å; M382-E389 HydrophobicContact SD-CG 4.02Å; V384-E389 HydrophobicContact CG2-CB 4Å; P385-E389 PolarHBondContact O-N 2.93Å; L386-E389 PolarHBondContact O-N 3.02Å; Q387-E389 VanDerWaalsContact C-N 3.34Å; E389-F392 PolarHBondContact O-N 3.14Å; E389-R393 WeakPolarHBondContact O-CB 3.5Å; E389-R393 PolarHBondContact O-N 3.19Å
390	R	59.5	Low	60.9	Low	118 Å²	118	57.8 Å²	57.8	45%	0.445	30%	0.295	S	S	.	.	H	α-helix	trans	-62.4	-43.3	176.5	-76.9	176.9	175.4	-172.5	-1.7	112.4	L386 Q387 Y388 S394	L386-R390 WeakPolarHBondContact O-CG 3.35Å; L386-R390 PolarHBondContact O-N 3.09Å; Q387-R390 PolarHBondContact O-N 2.99Å; Y388-R390 PolarHBondContact O-N 3.27Å; R390-S394 WeakPolarHBondContact O-CB 3.44Å; R390-S394 PolarHBondContact O-N 3.3Å; R390-S394 PolarHBondContact O-OG 2.82Å
391	N	63.9	Low	63.2	Low	70 Å²	70	59.5 Å²	59.5	37%	0.374	31%	0.308	S	S	.	.	H	α-helix	trans	-62.7	-48.4	177.3	-73.8	-5.7	0	0	0	110.2	Q387 Y388 R393 S394 K395	Q387-N391 WeakPolarHBondContact O-CB 3.42Å; Q387-N391 VanDerWaalsContact O-CG 3.26Å; Q387-N391 PolarHBondContact O-N 3.3Å; Y388-N391 PolarHBondContact O-N 2.76Å; N391-R393 PolarHBondContact O-N 2.96Å; N391-S394 WeakPolarHBondContact O-CB 3.5Å; N391-S394 PolarHBondContact O-N 2.89Å; N391-K395 WeakPolarHBondContact O-CG 3.32Å; N391-K395 PolarHBondContact O-N 2.88Å
392	F	63.6	Low	65.5	Low	1 Å²	1	55.7 Å²	55.7	0%	0.004	28%	0.281	C	S	.	.	H	α-helix	trans	-60.3	-47.7	178.2	179.7	-136.9	0	0	0	112	M382 Y388 E389 S394 K395 V396 F636 E640 L643 L702	M382-F392 HydrophobicContact CE-CD1 4.04Å; M382-F392 HydrophobicContact CE-CE1 4.44Å; M382-F392 HydrophobicContact SD-CD1 4.05Å; M382-F392 HydrophobicContact SD-CE1 4.43Å; Y388-F392 WeakPolarHBondContact O-CB 3.47Å; Y388-F392 PolarHBondContact O-N 3.19Å; E389-F392 PolarHBondContact O-N 3.14Å; F392-S394 VanDerWaalsContact C-N 3.25Å; F392-S394 PolarHBondContact O-N 3.13Å; F392-K395 WeakPolarHBondContact O-CB 3.26Å; F392-K395 PolarHBondContact O-N 3.24Å; F392-V396 HydrophobicContact CD2-CG2 4.01Å; F392-V396 HydrophobicContact CE2-CG2 3.69Å; F392-V396 HydrophobicContact CZ-CG2 4Å; F392-V396 WeakPolarHBondContact O-CG2 3.23Å; F392-V396 PolarHBondContact O-N 2.93Å; F392-F636 HydrophobicContact CD2-CD1 4.07Å; F392-F636 HydrophobicContact CD2-CE1 4.05Å; F392-F636 AromaticContact CE2-CD1 3.75Å; F392-F636 HydrophobicContact CE2-CD1 3.75Å; F392-F636 AromaticContact CE2-CE1 3.74Å; F392-F636 HydrophobicContact CE2-CE1 3.74Å; F392-E640 HydrophobicContact CD2-CB 3.75Å; F392-E640 HydrophobicContact CD2-CG 3.43Å; F392-E640 VanDerWaalsContact CD2-CG 3.43Å; F392-E640 WeakPolarHBondContact CD2-OE1 3.39Å; F392-E640 HydrophobicContact CE2-CB 3.4Å; F392-E640 HydrophobicContact CE2-CG 3.63Å; F392-E640 HydrophobicContact CG-CG 4.02Å; F392-E640 HydrophobicContact CZ-CB 4.06Å; F392-E640 HydrophobicContact CZ-CG 4.3Å; F392-E640 WeakPolarHBondContact CZ-O 3.19Å; F392-L643 HydrophobicContact CE1-CB 4.4Å; F392-L643 HydrophobicContact CE1-CD1 4.23Å; F392-L643 HydrophobicContact CZ-CB 4.22Å; F392-L702 HydrophobicContact CE1-CD1 3.62Å; F392-L702 HydrophobicContact CE1-CD2 3.62Å; F392-L702 HydrophobicContact CE1-CG 4.16Å; F392-L702 HydrophobicContact CE2-CD1 4.27Å; F392-L702 HydrophobicContact CZ-CD1 3.39Å; F392-L702 HydrophobicContact CZ-CD2 3.94Å; F392-L702 HydrophobicContact CZ-CG 4.3Å
393	R	67.8	Low	67.9	Low	111 Å²	111	54.2 Å²	54.2	42%	0.419	27%	0.274	S	S	.	.	H	α-helix	trans	-59.5	-36.3	176.5	-169.7	169.1	-178.2	175.3	-1.6	112.6	E389 N391 V396 N397 E707	E389-R393 WeakPolarHBondContact O-CB 3.5Å; E389-R393 PolarHBondContact O-N 3.19Å; N391-R393 PolarHBondContact O-N 2.96Å; R393-V396 PolarHBondContact O-N 2.76Å; R393-N397 WeakPolarHBondContact O-CB 3.3Å; R393-N397 VanDerWaalsContact O-CG 3.24Å; R393-N397 PolarHBondContact O-N 2.87Å; R393-N397 PolarHBondContact O-ND2 2.75Å; R393-E707 IonicContact CZ-OE1 3.21Å; R393-E707 IonicContact NE-OE1 3.05Å; R393-E707 PolarHBondContact NE-OE1 3.35Å; R393-E707 VanDerWaalsContact NE-OE1 3.16Å; R393-E707 IonicContact NH2-OE1 2.61Å; R393-E707 PolarHBondContact NH2-OE1 3.46Å
394	S	69.1	Low	70.5	Confident	74 Å²	74	57.4 Å²	57.4	52%	0.517	29%	0.289	S	S	.	.	H	α-helix	trans	-65.7	-42.1	175	-57.4	0	0	0	0	111.9	R390 N391 F392 N397 Y398	R390-S394 WeakPolarHBondContact O-CB 3.44Å; R390-S394 PolarHBondContact O-N 3.3Å; R390-S394 PolarHBondContact O-OG 2.82Å; N391-S394 WeakPolarHBondContact O-CB 3.5Å; N391-S394 PolarHBondContact O-N 2.89Å; F392-S394 VanDerWaalsContact C-N 3.25Å; F392-S394 PolarHBondContact O-N 3.13Å; S394-N397 PolarHBondContact O-N 2.64Å; S394-Y398 WeakPolarHBondContact O-CB 3.45Å; S394-Y398 PolarHBondContact O-N 2.85Å
395	K	78.1	Confident	73	Confident	55 Å²	55	62.1 Å²	62.1	24%	0.239	31%	0.312	C	S	.	.	H	α-helix	trans	-61.3	-45	173.5	-62.6	169.2	-178.7	-178.5	0	111.5	N391 F392 Y398 F399 L635 F636 E640	N391-K395 WeakPolarHBondContact O-CG 3.32Å; N391-K395 PolarHBondContact O-N 2.88Å; F392-K395 WeakPolarHBondContact O-CB 3.26Å; F392-K395 PolarHBondContact O-N 3.24Å; K395-Y398 PolarHBondContact O-N 3.09Å; K395-F399 WeakPolarHBondContact O-CB 3.2Å; K395-F399 PolarHBondContact O-N 3.43Å; K395-L635 HydrophobicContact CD-CB 4.41Å; K395-L635 VanDerWaalsContact CD-O 3.26Å; K395-L635 WeakPolarHBondContact CD-O 3.4Å; K395-L635 WeakPolarHBondContact CE-O 3.31Å; K395-L635 HydrophobicContact CG-CB 4.25Å; K395-L635 PolarHBondContact NZ-O 3.34Å; K395-F636 HydrophobicContact CB-CD1 4.11Å; K395-F636 HydrophobicContact CB-CE1 3.52Å; K395-F636 HydrophobicContact CB-CZ 3.92Å; K395-F636 HydrophobicContact CD-CD1 4.25Å; K395-F636 HydrophobicContact CD-CE1 4.46Å; K395-E640 IonicContact NZ-OE1 2.71Å; K395-E640 PolarHBondContact NZ-OE1 3.08Å; K395-E640 IonicContact NZ-OE2 2.72Å; K395-E640 PolarHBondContact NZ-OE2 2.96Å
396	V	77.4	Confident	75.3	Confident	11 Å²	11	59.4 Å²	59.4	7%	0.067	30%	0.296	C	S	.	.	H	α-helix	trans	-60.4	-46.9	176.9	176.6	0	0	0	0	111	F392 R393 Y398 F399 R400 F636 L644 L702	F392-V396 HydrophobicContact CD2-CG2 4.01Å; F392-V396 HydrophobicContact CE2-CG2 3.69Å; F392-V396 HydrophobicContact CZ-CG2 4Å; F392-V396 WeakPolarHBondContact O-CG2 3.23Å; F392-V396 PolarHBondContact O-N 2.93Å; R393-V396 PolarHBondContact O-N 2.76Å; V396-Y398 VanDerWaalsContact C-N 3.35Å; V396-Y398 PolarHBondContact O-N 3.18Å; V396-F399 PolarHBondContact O-N 2.99Å; V396-R400 HydrophobicContact CG1-CG 4.2Å; V396-R400 WeakPolarHBondContact O-CB 3.47Å; V396-R400 VanDerWaalsContact O-CG 3.25Å; V396-R400 WeakPolarHBondContact O-CG 3.24Å; V396-R400 PolarHBondContact O-N 2.96Å; V396-F636 HydrophobicContact CG2-CE1 3.95Å; V396-F636 HydrophobicContact CG2-CZ 4.41Å; V396-L644 HydrophobicContact CG1-CD1 4.41Å; V396-L644 HydrophobicContact CG2-CD1 4.48Å; V396-L702 HydrophobicContact CB-CD1 4.47Å; V396-L702 HydrophobicContact CG1-CD1 4.19Å; V396-L702 HydrophobicContact CG2-CD1 3.46Å; V396-L702 VanDerWaalsContact CG2-CD1 3.46Å
397	N	76.6	Confident	77.4	Confident	90 Å²	90	61 Å²	61	48%	0.481	30%	0.304	S	S	.	.	H	α-helix	trans	-60.6	-43.8	177.8	-74.2	-24.1	0	0	0	112.1	R393 S394 R400 A401	R393-N397 WeakPolarHBondContact O-CB 3.3Å; R393-N397 VanDerWaalsContact O-CG 3.24Å; R393-N397 PolarHBondContact O-N 2.87Å; R393-N397 PolarHBondContact O-ND2 2.75Å; S394-N397 PolarHBondContact O-N 2.64Å; N397-R400 PolarHBondContact O-N 3.34Å; N397-A401 WeakPolarHBondContact O-CB 3.19Å; N397-A401 PolarHBondContact O-N 3.2Å
398	Y	86.5	Confident	79.4	Confident	123 Å²	123	62.5 Å²	62.5	48%	0.482	31%	0.313	S	S	.	.	H	α-helix	trans	-60.5	-48.1	174.5	172.9	-94.3	0	0	0	111.7	S394 K395 V396 R400 A401 C402 L635	S394-Y398 WeakPolarHBondContact O-CB 3.45Å; S394-Y398 PolarHBondContact O-N 2.85Å; K395-Y398 PolarHBondContact O-N 3.09Å; V396-Y398 VanDerWaalsContact C-N 3.35Å; V396-Y398 PolarHBondContact O-N 3.18Å; Y398-R400 PolarHBondContact O-N 3.23Å; Y398-A401 PolarHBondContact O-N 3.5Å; Y398-C402 VanDerWaalsContact CZ-SG 3.6Å; Y398-C402 PolarHBondContact O-N 3.43Å; Y398-C402 PolarHBondContact O-SG 3.46Å; Y398-L635 HydrophobicContact CD1-CD1 3.34Å; Y398-L635 HydrophobicContact CE1-CD1 3.54Å; Y398-L635 HydrophobicContact CG-CD1 4.27Å
399	F	89	Confident	81.5	Confident	0 Å²	0	66.1 Å²	66.1	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-59	-47.3	177.8	175.5	-98.9	0	0	0	111.9	K395 V396 A401 C402 C403 L512 L628 W632 L633 F636 L644	K395-F399 WeakPolarHBondContact O-CB 3.2Å; K395-F399 PolarHBondContact O-N 3.43Å; V396-F399 PolarHBondContact O-N 2.99Å; F399-A401 VanDerWaalsContact C-N 3.34Å; F399-A401 PolarHBondContact O-N 3.12Å; F399-C402 WeakPolarHBondContact O-CB 3.46Å; F399-C402 PolarHBondContact O-N 2.94Å; F399-C402 VanDerWaalsContact O-N 3.16Å; F399-C403 VanDerWaalsContact CZ-SG 3.55Å; F399-C403 PolarHBondContact O-N 3.08Å; F399-C403 PolarHBondContact O-SG 3.01Å; F399-L512 WeakPolarHBondContact CE1-O 3.22Å; F399-L512 HydrophobicContact CZ-CB 4.1Å; F399-L628 HydrophobicContact CZ-CD2 4.35Å; F399-W632 HydrophobicContact CD2-CB 3.85Å; F399-W632 HydrophobicContact CE2-CB 3.97Å; F399-L633 HydrophobicContact CD2-CD2 4.23Å; F399-L633 HydrophobicContact CE2-CD2 3.65Å; F399-L633 HydrophobicContact CZ-CD2 4.24Å; F399-F636 HydrophobicContact CB-CE2 3.8Å; F399-F636 HydrophobicContact CB-CZ 3.72Å; F399-F636 AromaticContact CD2-CE2 3.98Å; F399-F636 HydrophobicContact CD2-CE2 3.98Å; F399-F636 AromaticContact CG-CE2 3.93Å; F399-F636 HydrophobicContact CG-CE2 3.93Å; F399-F636 HydrophobicContact CG-CZ 4.17Å; F399-L644 HydrophobicContact CD1-CD2 4.11Å; F399-L644 HydrophobicContact CE1-CD2 4.1Å
400	R	88.6	Confident	83.3	Confident	73 Å²	73	67.7 Å²	67.7	28%	0.275	36%	0.359	S	S	.	.	H	α-helix	trans	-60.8	-42.9	177	-68.8	-68.6	175.7	-142.8	-4.7	111.5	V396 N397 Y398 C402 C403 T404 L512 G515	V396-R400 HydrophobicContact CG1-CG 4.2Å; V396-R400 WeakPolarHBondContact O-CB 3.47Å; V396-R400 VanDerWaalsContact O-CG 3.25Å; V396-R400 WeakPolarHBondContact O-CG 3.24Å; V396-R400 PolarHBondContact O-N 2.96Å; N397-R400 PolarHBondContact O-N 3.34Å; Y398-R400 PolarHBondContact O-N 3.23Å; R400-C402 VanDerWaalsContact C-N 3.33Å; R400-C402 PolarHBondContact O-N 3.31Å; R400-C403 PolarHBondContact O-N 3.46Å; R400-T404 WeakPolarHBondContact O-CB 3.09Å; R400-T404 PolarHBondContact O-N 2.87Å; R400-T404 PolarHBondContact O-OG1 3.16Å; R400-L512 PolarHBondContact NH1-O 2.89Å; R400-G515 VanDerWaalsContact CZ-CA 3.42Å
401	A	89.6	Confident	84.7	Confident	47 Å²	47	66.9 Å²	66.9	39%	0.388	36%	0.36	S	S	.	.	H	α-helix	trans	-61	-41	175	0	0	0	0	0	112.1	N397 Y398 F399 T404 N405	N397-A401 WeakPolarHBondContact O-CB 3.19Å; N397-A401 PolarHBondContact O-N 3.2Å; Y398-A401 PolarHBondContact O-N 3.5Å; F399-A401 VanDerWaalsContact C-N 3.34Å; F399-A401 PolarHBondContact O-N 3.12Å; A401-T404 PolarHBondContact O-N 3.34Å; A401-N405 WeakPolarHBondContact O-CB 3.3Å; A401-N405 PolarHBondContact O-N 3Å; A401-N405 PolarHBondContact O-ND2 3.28Å
402	C	94	Very high	86	Confident	17 Å²	17	63.8 Å²	63.8	12%	0.115	34%	0.344	C	S	.	.	H	α-helix	trans	-60.6	-48.4	174.5	-66	0	0	0	0	111.7	Y398 F399 R400 N405 A406 W632	Y398-C402 VanDerWaalsContact CZ-SG 3.6Å; Y398-C402 PolarHBondContact O-N 3.43Å; Y398-C402 PolarHBondContact O-SG 3.46Å; F399-C402 WeakPolarHBondContact O-CB 3.46Å; F399-C402 PolarHBondContact O-N 2.94Å; F399-C402 VanDerWaalsContact O-N 3.16Å; R400-C402 VanDerWaalsContact C-N 3.33Å; R400-C402 PolarHBondContact O-N 3.31Å; C402-N405 PolarHBondContact O-N 3.4Å; C402-A406 WeakPolarHBondContact O-CB 3.21Å; C402-A406 PolarHBondContact O-N 3.32Å; C402-W632 HydrophobicContact CB-CD2 3.98Å; C402-W632 HydrophobicContact CB-CG 4.18Å; C402-W632 HydrophobicContact CB-CZ2 4.35Å
403	C	93.8	Very high	87.3	Confident	5 Å²	5	71.5 Å²	71.5	3%	0.034	38%	0.377	C	S	.	.	H	α-helix	trans	-62.5	-43.9	177.7	-66.6	0	0	0	0	112.2	F399 R400 N405 A406 M407 F513	F399-C403 VanDerWaalsContact CZ-SG 3.55Å; F399-C403 PolarHBondContact O-N 3.08Å; F399-C403 PolarHBondContact O-SG 3.01Å; R400-C403 PolarHBondContact O-N 3.46Å; C403-N405 PolarHBondContact O-N 2.78Å; C403-A406 CarbonylContact O-C 3.51Å; C403-A406 PolarHBondContact O-N 2.82Å; C403-M407 PolarHBondContact O-N 3.47Å; C403-F513 HydrophobicContact CB-CD2 4.03Å; C403-F513 HydrophobicContact CB-CE2 4.1Å; C403-F513 HydrophobicContact CB-CG 4.49Å; C403-F513 WeakPolarHBondContact O-CZ 3.26Å
404	T	92.4	Very high	88.5	Confident	91 Å²	91	66.3 Å²	66.3	56%	0.558	36%	0.358	S	S	*	.	H	α-helix	trans	-61.1	-43.4	176.6	-60.1	0	0	0	0	111.7	R400 A401 A406 M407	R400-T404 WeakPolarHBondContact O-CB 3.09Å; R400-T404 PolarHBondContact O-N 2.87Å; R400-T404 PolarHBondContact O-OG1 3.16Å; A401-T404 PolarHBondContact O-N 3.34Å; T404-A406 VanDerWaalsContact C-N 3.28Å; T404-A406 PolarHBondContact O-N 2.91Å; T404-M407 WeakPolarHBondContact O-CB 3.38Å; T404-M407 PolarHBondContact O-N 2.94Å
405	N	93.6	Very high	89.5	Confident	140 Å²	140	67.6 Å²	67.6	75%	0.749	36%	0.358	S	S	*	.	H	α-helix	trans	-67.3	-29.4	177.4	-71.1	-20.2	0	0	0	112.9	A401 C402 C403	A401-N405 WeakPolarHBondContact O-CB 3.3Å; A401-N405 PolarHBondContact O-N 3Å; A401-N405 PolarHBondContact O-ND2 3.28Å; C402-N405 PolarHBondContact O-N 3.4Å; C403-N405 PolarHBondContact O-N 2.78Å
406	A	94.8	Very high	90.2	Very high	19 Å²	19	65 Å²	65	16%	0.157	35%	0.347	C	S	.	.	H	α-helix	trans	-87.8	-3.7	177.6	0	0	0	0	0	113.8	C402 C403 T404 L408 F513 W632	C402-A406 WeakPolarHBondContact O-CB 3.21Å; C402-A406 PolarHBondContact O-N 3.32Å; C403-A406 CarbonylContact O-C 3.51Å; C403-A406 PolarHBondContact O-N 2.82Å; T404-A406 VanDerWaalsContact C-N 3.28Å; T404-A406 PolarHBondContact O-N 2.91Å; A406-L408 PolarHBondContact O-N 3.1Å; A406-F513 HydrophobicContact CB-CE2 3.99Å; A406-F513 HydrophobicContact CB-CZ 4.32Å; A406-W632 HydrophobicContact CB-CH2 3.49Å; A406-W632 VanDerWaalsContact CB-CH2 3.49Å; A406-W632 HydrophobicContact CB-CZ2 4.12Å; A406-W632 HydrophobicContact CB-CZ3 4.4Å
407	M	93.7	Very high	90.9	Very high	96 Å²	96	65.7 Å²	65.7	47%	0.473	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-69.7	124.7	179.4	-172.6	167.1	63.7	0	0	110	C403 T404 R438 F513	C403-M407 PolarHBondContact O-N 3.47Å; T404-M407 WeakPolarHBondContact O-CB 3.38Å; T404-M407 PolarHBondContact O-N 2.94Å; M407-R438 WeakPolarHBondContact CA-O 3.41Å; M407-R438 WeakPolarHBondContact CG-O 3.49Å; M407-F513 HydrophobicContact CB-CE1 4.44Å; M407-F513 HydrophobicContact CB-CZ 4.3Å
408	L	94.3	Very high	91.5	Very high	75 Å²	75	63.6 Å²	63.6	39%	0.393	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	149.4	-179	-62.4	-177.4	0	0	0	111.1	A406 S435 R438 R439	A406-L408 PolarHBondContact O-N 3.1Å; L408-S435 WeakPolarHBondContact CD1-O 3.44Å; L408-R438 HydrophobicContact CG-CB 4.44Å; L408-R438 PolarHBondContact N-O 3.02Å; L408-R439 HydrophobicContact CB-CG 3.91Å
409	N	91.7	Very high	91.6	Very high	154 Å²	154	65.5 Å²	65.5	82%	0.824	36%	0.356	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.9	153.1	174.6	-68.2	-26	0	0	0	112	R439	N409-R439 WeakPolarHBondContact O-CD 3.49Å; N409-R439 PolarHBondContact O-NE 3.33Å
410	G	90.9	Very high	91.7	Very high	52 Å²	52	69 Å²	69	54%	0.536	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	92.1	-172	-179.1	0	0	0	0	0	113.1
411	Q	90.1	Very high	91.8	Very high	101 Å²	101	65.9 Å²	65.9	47%	0.472	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	148.4	-178.5	-69.4	176.4	-20.2	0	0	110.9	R440	Q411-R440 CarbonylContact C-O 3.58Å; Q411-R440 WeakPolarHBondContact CA-O 3.41Å; Q411-R440 HydrophobicContact CG-CB 4.43Å
412	T	91.3	Very high	92	Very high	5 Å²	5	64.5 Å²	64.5	3%	0.031	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	111.7	168.8	-81.4	0	0	0	0	107.7	L414 M432 G436 R440 L441 S442	T412-L414 HydrophobicContact CG2-CD2 4.44Å; T412-L414 HydrophobicContact CG2-CG 4.36Å; T412-M432 HydrophobicContact CG2-CE 3.15Å; T412-M432 HydrophobicContact CG2-SD 3.51Å; T412-M432 VanDerWaalsContact CG2-SD 3.51Å; T412-M432 WeakPolarHBondContact OG1-CE 3.27Å; T412-G436 PolarHBondContact OG1-O 3.25Å; T412-R440 PolarHBondContact N-O 2.92Å; T412-L441 HydrophobicContact CG2-CD2 3.77Å; T412-S442 PolarHBondContact O-N 3.26Å
413	K	91.2	Very high	91.9	Very high	162 Å²	162	67 Å²	67	70%	0.704	36%	0.359	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.1	127.3	-178.2	-63.6	-175.3	178.1	-173.8	0	109.9	S442	K413-S442 CarbonylContact C-O 3.57Å; K413-S442 VanDerWaalsContact CA-O 3.31Å; K413-S442 WeakPolarHBondContact CA-O 3.38Å
414	L	91.2	Very high	92	Very high	3 Å²	3	68.5 Å²	68.5	2%	0.016	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	116.2	175.2	-62.2	175	0	0	0	108.2	T412 I416 L428 M432 S442 I443 T444 W460	T412-L414 HydrophobicContact CG2-CD2 4.44Å; T412-L414 HydrophobicContact CG2-CG 4.36Å; L414-I416 HydrophobicContact CB-CD1 3.92Å; L414-I416 HydrophobicContact CB-CG1 4.32Å; L414-L428 HydrophobicContact CB-CD1 4.49Å; L414-L428 HydrophobicContact CD2-CB 3.89Å; L414-L428 HydrophobicContact CD2-CD1 4.18Å; L414-M432 HydrophobicContact CD2-SD 4.09Å; L414-S442 PolarHBondContact N-O 2.98Å; L414-I443 HydrophobicContact CB-CG1 4.43Å; L414-I443 HydrophobicContact CD1-CD1 4.18Å; L414-I443 HydrophobicContact CD1-CG1 4.28Å; L414-I443 WeakPolarHBondContact O-CA 3.48Å; L414-T444 PolarHBondContact O-N 3.14Å; L414-W460 HydrophobicContact CD1-CH2 4.3Å; L414-W460 HydrophobicContact CD1-CZ2 4.18Å
415	L	91.5	Very high	92.2	Very high	101 Å²	101	64.1 Å²	64.1	53%	0.529	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	112.1	177.4	-177.8	66.2	0	0	0	108.4	L428 T444 L446	L415-L428 WeakPolarHBondContact O-CD1 3.27Å; L415-T444 WeakPolarHBondContact CA-O 3.38Å; L415-T444 HydrophobicContact CD1-CG2 3.85Å; L415-L446 HydrophobicContact CD1-CD2 3.76Å; L415-L446 HydrophobicContact CD1-CG 4.18Å; L415-L446 HydrophobicContact CD2-CD2 3.79Å; L415-L446 HydrophobicContact CG-CD2 3.65Å; L415-L446 HydrophobicContact CG-CG 4.1Å
416	I	91.9	Very high	92.3	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	139.3	-163.5	-65.2	171.7	0	0	0	110.6	L414 L421 D424 L428 I443 T444 F445 L446	L414-I416 HydrophobicContact CB-CD1 3.92Å; L414-I416 HydrophobicContact CB-CG1 4.32Å; I416-L421 HydrophobicContact CG2-CD1 3.86Å; I416-D424 HydrophobicContact CB-CB 4.46Å; I416-D424 HydrophobicContact CG1-CB 4.39Å; I416-D424 HydrophobicContact CG2-CB 4.02Å; I416-L428 HydrophobicContact CG1-CD1 3.92Å; I416-I443 HydrophobicContact CD1-CG2 4.37Å; I416-T444 PolarHBondContact N-O 3.25Å; I416-F445 HydrophobicContact CG2-CD1 4.41Å; I416-F445 HydrophobicContact CG2-CE1 4.19Å; I416-F445 CarbonylContact O-C 3.48Å; I416-F445 WeakPolarHBondContact O-CA 3.21Å; I416-L446 PolarHBondContact O-N 2.98Å
417	S	91.5	Very high	92.3	Very high	25 Å²	25	61.3 Å²	61.3	18%	0.175	32%	0.319	C	S	.	.			trans	-80.8	139.4	168	-177.3	0	0	0	0	111.2	D419 N420 L421 D424	S417-D419 PolarHBondContact O-N 3.24Å; S417-D419 PolarHBondContact OG-N 3.25Å; S417-N420 CarbonylContact O-C 3.6Å; S417-N420 PolarHBondContact O-N 2.82Å; S417-L421 WeakPolarHBondContact O-CA 3.41Å; S417-L421 PolarHBondContact O-N 2.65Å; S417-L421 VanDerWaalsContact O-N 3.15Å; S417-D424 VanDerWaalsContact CB-OD2 3.28Å; S417-D424 WeakPolarHBondContact CB-OD2 3.24Å; S417-D424 PolarHBondContact N-OD2 3.06Å
418	R	89.3	Confident	92.4	Very high	47 Å²	47	59.6 Å²	59.6	18%	0.177	31%	0.311	C	S	.	.	S	Bend	trans	-62.6	-33.5	169.9	-73.7	-169.4	179.6	-84.2	-11.2	112.3	N420 F445 E448 E459	R418-N420 VanDerWaalsContact C-N 3.34Å; R418-F445 HydrophobicContact CG-CB 4.35Å; R418-F445 HydrophobicContact CG-CD1 3.57Å; R418-F445 HydrophobicContact CG-CE1 3.98Å; R418-F445 HydrophobicContact CG-CG 3.95Å; R418-F445 VanDerWaalsContact NH2-CD2 3.31Å; R418-E448 WeakPolarHBondContact CD-OE1 3.05Å; R418-E448 IonicContact CZ-OE1 3.41Å; R418-E448 IonicContact CZ-OE2 2.71Å; R418-E448 VanDerWaalsContact CZ-OE2 3.31Å; R418-E448 IonicContact NE-OE1 2.96Å; R418-E448 PolarHBondContact NE-OE1 2.97Å; R418-E448 IonicContact NE-OE2 3.66Å; R418-E448 PolarHBondContact NE-OE2 2.84Å; R418-E448 IonicContact NH2-OE1 3.3Å; R418-E448 IonicContact NH2-OE2 3.83Å; R418-E448 PolarHBondContact NH2-OE2 2.97Å; R418-E459 IonicContact CZ-OE1 2.79Å; R418-E459 IonicContact CZ-OE2 3.84Å; R418-E459 VanDerWaalsContact NH1-CD 3.33Å; R418-E459 IonicContact NH1-OE1 3.1Å; R418-E459 PolarHBondContact NH1-OE1 2.98Å; R418-E459 IonicContact NH1-OE2 2.7Å; R418-E459 PolarHBondContact NH1-OE2 3.28Å; R418-E459 IonicContact NH2-OE1 2.7Å; R418-E459 PolarHBondContact NH2-OE1 2.87Å; R418-E459 IonicContact NH2-OE2 3.84Å; R418-E459 PolarHBondContact NH2-OE2 3.44Å
419	D	89.4	Confident	92.5	Very high	163 Å²	163	56 Å²	56	87%	0.872	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-21.7	-177.5	-61.4	-31.2	0	0	0	112.7	S417	S417-D419 PolarHBondContact O-N 3.24Å; S417-D419 PolarHBondContact OG-N 3.25Å
420	N	90	Very high	92.6	Very high	72 Å²	72	50.7 Å²	50.7	39%	0.385	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.5	32.1	-178.8	-159.5	40.5	0	0	0	112.2	S417 R418 L422 E423 D424	S417-N420 CarbonylContact O-C 3.6Å; S417-N420 PolarHBondContact O-N 2.82Å; R418-N420 VanDerWaalsContact C-N 3.34Å; N420-L422 VanDerWaalsContact C-N 3.32Å; N420-L422 PolarHBondContact O-N 3.31Å; N420-E423 PolarHBondContact O-N 3.37Å; N420-E423 WeakPolarHBondContact OD1-CB 3.45Å; N420-D424 PolarHBondContact ND2-OD1 2.88Å; N420-D424 WeakPolarHBondContact O-CB 3.5Å; N420-D424 PolarHBondContact O-N 2.88Å
421	L	92.4	Very high	92.7	Very high	8 Å²	8	55.2 Å²	55.2	4%	0.042	28%	0.275	C	S	.	.	H	α-helix	trans	-49.3	-48.7	-169.5	176.2	63.2	0	0	0	113	I416 S417 S425 F445 R463 L464 E467	I416-L421 HydrophobicContact CG2-CD1 3.86Å; S417-L421 WeakPolarHBondContact O-CA 3.41Å; S417-L421 PolarHBondContact O-N 2.65Å; S417-L421 VanDerWaalsContact O-N 3.15Å; L421-S425 WeakPolarHBondContact O-CB 3.48Å; L421-S425 PolarHBondContact O-N 3.29Å; L421-S425 PolarHBondContact O-OG 3.39Å; L421-F445 HydrophobicContact CD1-CE1 4.08Å; L421-R463 HydrophobicContact CD2-CB 3.5Å; L421-R463 VanDerWaalsContact CD2-CB 3.5Å; L421-L464 HydrophobicContact CD2-CB 4.42Å; L421-L464 HydrophobicContact CG-CB 4.47Å; L421-L464 HydrophobicContact CG-CD1 4.39Å; L421-E467 HydrophobicContact CD2-CG 4.09Å
422	L	92.5	Very high	92.9	Very high	18 Å²	18	52.4 Å²	52.4	9%	0.094	26%	0.262	C	S	.	.	H	α-helix	trans	-68.2	-51.4	-176.2	178.1	57.9	0	0	0	112.3	N420 S425 F426 L464 E467 I468 F473 Y500 F503	N420-L422 VanDerWaalsContact C-N 3.32Å; N420-L422 PolarHBondContact O-N 3.31Å; L422-S425 PolarHBondContact O-N 3.23Å; L422-F426 VanDerWaalsContact O-CB 3.23Å; L422-F426 WeakPolarHBondContact O-CB 3.42Å; L422-F426 PolarHBondContact O-N 3.45Å; L422-L464 HydrophobicContact CB-CD1 4.45Å; L422-L464 HydrophobicContact CD1-CD1 3.8Å; L422-E467 HydrophobicContact CB-CB 4.26Å; L422-I468 HydrophobicContact CD1-CG1 3.61Å; L422-F473 HydrophobicContact CD2-CD1 4.13Å; L422-F473 HydrophobicContact CD2-CD2 3.74Å; L422-F473 HydrophobicContact CD2-CE1 4.03Å; L422-F473 HydrophobicContact CD2-CE2 3.59Å; L422-F473 HydrophobicContact CD2-CG 4.02Å; L422-F473 HydrophobicContact CD2-CZ 3.76Å; L422-Y500 HydrophobicContact CD1-CE1 4.46Å; L422-Y500 HydrophobicContact CG-CE1 4.38Å; L422-F503 HydrophobicContact CD1-CE1 3.96Å
423	E	92.9	Very high	93.1	Very high	69 Å²	69	55.3 Å²	55.3	32%	0.322	28%	0.283	S	S	.	.	H	α-helix	trans	-70.3	-41.9	-174.9	-176.5	65.7	-137	0	0	111.5	N420 S425 F426 Q427 Y500	N420-E423 PolarHBondContact O-N 3.37Å; N420-E423 WeakPolarHBondContact OD1-CB 3.45Å; E423-S425 VanDerWaalsContact C-N 3.34Å; E423-S425 PolarHBondContact O-N 3.06Å; E423-F426 PolarHBondContact O-N 3.41Å; E423-Q427 WeakPolarHBondContact O-CG 3.15Å; E423-Q427 PolarHBondContact O-N 2.96Å; E423-Q427 WeakPolarHBondContact OE1-CG 3.26Å; E423-Q427 PolarHBondContact OE1-NE2 3.24Å; E423-Y500 PolarHBondContact OE2-OH 3.18Å
424	D	95	Very high	93.2	Very high	37 Å²	37	49.7 Å²	49.7	20%	0.198	26%	0.264	C	S	.	.	H	α-helix	trans	-61.1	-45.2	175.5	-74.1	-4.7	0	0	0	110.8	I416 S417 N420 Q427 L428	I416-D424 HydrophobicContact CB-CB 4.46Å; I416-D424 HydrophobicContact CG1-CB 4.39Å; I416-D424 HydrophobicContact CG2-CB 4.02Å; S417-D424 VanDerWaalsContact CB-OD2 3.28Å; S417-D424 WeakPolarHBondContact CB-OD2 3.24Å; S417-D424 PolarHBondContact N-OD2 3.06Å; N420-D424 PolarHBondContact ND2-OD1 2.88Å; N420-D424 WeakPolarHBondContact O-CB 3.5Å; N420-D424 PolarHBondContact O-N 2.88Å; D424-Q427 PolarHBondContact O-N 3.25Å; D424-L428 WeakPolarHBondContact O-CB 3.32Å; D424-L428 VanDerWaalsContact O-CG 3.25Å; D424-L428 WeakPolarHBondContact O-CG 3.21Å; D424-L428 PolarHBondContact O-N 2.88Å
425	S	96.2	Very high	93.2	Very high	0 Å²	0	52 Å²	52	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-62.8	-43.8	176.6	-60.6	0	0	0	0	111.6	L421 L422 E423 V429 W460 F503	L421-S425 WeakPolarHBondContact O-CB 3.48Å; L421-S425 PolarHBondContact O-N 3.29Å; L421-S425 PolarHBondContact O-OG 3.39Å; L422-S425 PolarHBondContact O-N 3.23Å; E423-S425 VanDerWaalsContact C-N 3.34Å; E423-S425 PolarHBondContact O-N 3.06Å; S425-V429 VanDerWaalsContact O-CB 3.26Å; S425-V429 WeakPolarHBondContact O-CB 3.22Å; S425-V429 VanDerWaalsContact O-CG2 3.3Å; S425-V429 WeakPolarHBondContact O-CG2 3.46Å; S425-V429 PolarHBondContact O-N 3.5Å; S425-W460 PolarHBondContact OG-NE1 3.08Å; S425-F503 WeakPolarHBondContact O-CE2 3.4Å
426	F	95.8	Very high	93.3	Very high	17 Å²	17	47.4 Å²	47.4	8%	0.075	26%	0.257	C	S	.	.	H	α-helix	trans	-59.3	-51.5	178.1	168.8	-107.1	0	0	0	111.2	L422 E423 S430 A499 Y500 F503	L422-F426 VanDerWaalsContact O-CB 3.23Å; L422-F426 WeakPolarHBondContact O-CB 3.42Å; L422-F426 PolarHBondContact O-N 3.45Å; E423-F426 PolarHBondContact O-N 3.41Å; F426-S430 WeakPolarHBondContact CE2-OG 3.33Å; F426-S430 WeakPolarHBondContact O-CB 2.91Å; F426-S430 PolarHBondContact O-N 3.46Å; F426-S430 PolarHBondContact O-OG 2.96Å; F426-A499 HydrophobicContact CE2-CB 4.11Å; F426-A499 HydrophobicContact CZ-CB 3.89Å; F426-Y500 HydrophobicContact CB-CE1 4Å; F426-Y500 HydrophobicContact CD1-CE1 4.15Å; F426-Y500 HydrophobicContact CD1-CE2 4.46Å; F426-Y500 AromaticContact CD1-CZ 3.91Å; F426-Y500 AromaticContact CD2-CD1 3.8Å; F426-Y500 HydrophobicContact CD2-CD1 3.8Å; F426-Y500 AromaticContact CD2-CE1 3.79Å; F426-Y500 HydrophobicContact CD2-CE1 3.79Å; F426-Y500 HydrophobicContact CD2-CG 4.29Å; F426-Y500 HydrophobicContact CE1-CE2 4.28Å; F426-Y500 HydrophobicContact CE2-CD1 4.16Å; F426-Y500 HydrophobicContact CE2-CD2 4.39Å; F426-Y500 HydrophobicContact CE2-CE1 4.34Å; F426-Y500 HydrophobicContact CE2-CG 4.18Å; F426-Y500 HydrophobicContact CG-CD1 4.2Å; F426-Y500 AromaticContact CG-CE1 3.69Å; F426-Y500 HydrophobicContact CG-CE1 3.69Å; F426-Y500 AromaticContact CG-CZ 3.95Å; F426-Y500 HydrophobicContact CZ-CD2 4.43Å; F426-Y500 HydrophobicContact CZ-CE2 4.32Å; F426-F503 HydrophobicContact CB-CD1 4.29Å; F426-F503 HydrophobicContact CB-CE1 4.22Å; F426-F503 HydrophobicContact CB-CG 4.45Å; F426-F503 HydrophobicContact CB-CZ 4.33Å; F426-F503 HydrophobicContact CD2-CB 3.62Å; F426-F503 AromaticContact CD2-CD1 3.87Å; F426-F503 HydrophobicContact CD2-CD1 3.87Å; F426-F503 HydrophobicContact CD2-CD2 4.33Å; F426-F503 AromaticContact CD2-CG 3.69Å; F426-F503 HydrophobicContact CD2-CG 3.69Å; F426-F503 HydrophobicContact CE2-CB 3.97Å
427	Q	94.8	Very high	93.5	Very high	82 Å²	82	47.4 Å²	47.4	38%	0.383	26%	0.257	S	S	.	.	H	α-helix	trans	-61.3	-49	-179.5	-69.8	-64.2	-23.6	0	0	111.6	E423 D424 Q431	E423-Q427 WeakPolarHBondContact O-CG 3.15Å; E423-Q427 PolarHBondContact O-N 2.96Å; E423-Q427 WeakPolarHBondContact OE1-CG 3.26Å; E423-Q427 PolarHBondContact OE1-NE2 3.24Å; D424-Q427 PolarHBondContact O-N 3.25Å; Q427-Q431 VanDerWaalsContact O-CG 3.23Å; Q427-Q431 WeakPolarHBondContact O-CG 3.28Å; Q427-Q431 PolarHBondContact O-N 3.41Å
428	L	95.4	Very high	93.7	Very high	60 Å²	60	49.3 Å²	49.3	31%	0.314	26%	0.26	S	S	.	.	H	α-helix	trans	-64.2	-57.3	-177.9	-68.7	172.8	0	0	0	111.2	L414 L415 I416 D424 S430 Q431 M432	L414-L428 HydrophobicContact CB-CD1 4.49Å; L414-L428 HydrophobicContact CD2-CB 3.89Å; L414-L428 HydrophobicContact CD2-CD1 4.18Å; L415-L428 WeakPolarHBondContact O-CD1 3.27Å; I416-L428 HydrophobicContact CG1-CD1 3.92Å; D424-L428 WeakPolarHBondContact O-CB 3.32Å; D424-L428 VanDerWaalsContact O-CG 3.25Å; D424-L428 WeakPolarHBondContact O-CG 3.21Å; D424-L428 PolarHBondContact O-N 2.88Å; L428-S430 VanDerWaalsContact C-N 3.32Å; L428-S430 PolarHBondContact O-N 3.05Å; L428-Q431 PolarHBondContact O-N 2.96Å; L428-M432 WeakPolarHBondContact O-CG 3.26Å; L428-M432 PolarHBondContact O-N 2.92Å
429	V	96.5	Very high	93.9	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-64.6	-34.7	-175.1	173.9	0	0	0	0	112	S425 Q431 M432 L437 W460 F503 R506 M510	S425-V429 VanDerWaalsContact O-CB 3.26Å; S425-V429 WeakPolarHBondContact O-CB 3.22Å; S425-V429 VanDerWaalsContact O-CG2 3.3Å; S425-V429 WeakPolarHBondContact O-CG2 3.46Å; S425-V429 PolarHBondContact O-N 3.5Å; V429-Q431 VanDerWaalsContact C-N 3.35Å; V429-Q431 PolarHBondContact O-N 2.96Å; V429-M432 PolarHBondContact O-N 2.55Å; V429-L437 HydrophobicContact CG1-CD2 4.19Å; V429-W460 HydrophobicContact CG2-CH2 4.3Å; V429-W460 HydrophobicContact CG2-CZ2 4.27Å; V429-F503 HydrophobicContact CB-CD2 3.86Å; V429-F503 HydrophobicContact CB-CE2 3.74Å; V429-F503 HydrophobicContact CG1-CD2 3.86Å; V429-F503 HydrophobicContact CG1-CE2 4.02Å; V429-F503 HydrophobicContact CG2-CE2 4.12Å; V429-R506 HydrophobicContact CG1-CB 4.05Å; V429-R506 PolarHBondContact O-NH1 3.04Å; V429-M510 HydrophobicContact CG1-SD 3.88Å; V429-M510 HydrophobicContact CG2-SD 4.4Å
430	S	94.8	Very high	94	Very high	42 Å²	42	49 Å²	49	29%	0.294	25%	0.247	S	C	.	.	H	α-helix	trans	-68.3	-33.1	178.5	-61.2	0	0	0	0	112.7	F426 L428 R506	F426-S430 WeakPolarHBondContact CE2-OG 3.33Å; F426-S430 WeakPolarHBondContact O-CB 2.91Å; F426-S430 PolarHBondContact O-N 3.46Å; F426-S430 PolarHBondContact O-OG 2.96Å; L428-S430 VanDerWaalsContact C-N 3.32Å; L428-S430 PolarHBondContact O-N 3.05Å; S430-R506 PolarHBondContact O-NH1 3.5Å
431	Q	93.5	Very high	94.1	Very high	148 Å²	148	46.2 Å²	46.2	69%	0.692	23%	0.232	S	C	*	.	H	α-helix	trans	-80.1	-16.8	178.1	-67.9	174.4	22	0	0	113.2	Q427 L428 V429	Q427-Q431 VanDerWaalsContact O-CG 3.23Å; Q427-Q431 WeakPolarHBondContact O-CG 3.28Å; Q427-Q431 PolarHBondContact O-N 3.41Å; L428-Q431 PolarHBondContact O-N 2.96Å; V429-Q431 VanDerWaalsContact C-N 3.35Å; V429-Q431 PolarHBondContact O-N 2.96Å
432	M	94	Very high	94	Very high	41 Å²	41	46.9 Å²	46.9	20%	0.202	24%	0.237	C	C	.	.	S	Bend	trans	-67.9	148	179.4	-59.2	-158.3	71.9	0	0	112.4	T412 L414 L428 V429 L437 R506	T412-M432 HydrophobicContact CG2-CE 3.15Å; T412-M432 HydrophobicContact CG2-SD 3.51Å; T412-M432 VanDerWaalsContact CG2-SD 3.51Å; T412-M432 WeakPolarHBondContact OG1-CE 3.27Å; L414-M432 HydrophobicContact CD2-SD 4.09Å; L428-M432 WeakPolarHBondContact O-CG 3.26Å; L428-M432 PolarHBondContact O-N 2.92Å; V429-M432 PolarHBondContact O-N 2.55Å; M432-L437 HydrophobicContact CB-CD2 3.71Å; M432-L437 HydrophobicContact CB-CG 4.21Å; M432-L437 HydrophobicContact CE-CD2 4.46Å; M432-L437 HydrophobicContact CG-CD2 4.11Å; M432-L437 HydrophobicContact SD-CD2 3.59Å; M432-L437 VanDerWaalsContact SD-CD2 3.59Å; M432-R506 PolarHBondContact O-NH1 3.04Å
433	S	94.9	Very high	93.8	Very high	67 Å²	67	46 Å²	46	47%	0.469	23%	0.233	S	C	.	.			trans	-72.8	150	166.3	73	0	0	0	0	110.7	S435 G436 L437	S433-S435 PolarHBondContact O-N 3.03Å; S433-S435 VanDerWaalsContact O-N 3.13Å; S433-S435 PolarHBondContact OG-OG 2.91Å; S433-G436 WeakPolarHBondContact O-CA 3.47Å; S433-G436 PolarHBondContact O-N 3.46Å; S433-G436 PolarHBondContact OG-N 3.06Å; S433-L437 PolarHBondContact O-N 3.28Å
434	S	92.7	Very high	93.6	Very high	44 Å²	44	45 Å²	45	31%	0.308	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.3	-38.8	173.5	-54.1	0	0	0	0	112.9	L437 E626	S434-L437 PolarHBondContact O-N 3.12Å; S434-E626 VanDerWaalsContact CB-O 3.31Å; S434-E626 WeakPolarHBondContact CB-O 3.36Å
435	S	91.9	Very high	93.3	Very high	52 Å²	52	43.6 Å²	43.6	36%	0.364	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-36.9	176.3	71.4	0	0	0	0	113.2	L408 S433 L437 R438	L408-S435 WeakPolarHBondContact CD1-O 3.44Å; S433-S435 PolarHBondContact O-N 3.03Å; S433-S435 VanDerWaalsContact O-N 3.13Å; S433-S435 PolarHBondContact OG-OG 2.91Å; S435-L437 VanDerWaalsContact C-N 3.25Å; S435-L437 PolarHBondContact O-N 2.92Å; S435-R438 PolarHBondContact O-N 3.28Å; S435-R438 VanDerWaalsContact O-N 3.14Å
436	G	94.4	Very high	92.8	Very high	3 Å²	3	46.6 Å²	46.6	3%	0.031	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-62.1	-35.2	177.5	0	0	0	0	0	112.1	T412 S433 R438 R439	T412-G436 PolarHBondContact OG1-O 3.25Å; S433-G436 WeakPolarHBondContact O-CA 3.47Å; S433-G436 PolarHBondContact O-N 3.46Å; S433-G436 PolarHBondContact OG-N 3.06Å; G436-R438 PolarHBondContact O-N 2.92Å; G436-R439 PolarHBondContact O-N 2.83Å
437	L	95.2	Very high	92.1	Very high	0 Å²	0	55 Å²	55	0%	0	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-67.1	-16	178.7	-57.8	180	0	0	0	113.5	V429 M432 S433 S434 S435 R506 M510 H514 V627	V429-L437 HydrophobicContact CG1-CD2 4.19Å; M432-L437 HydrophobicContact CB-CD2 3.71Å; M432-L437 HydrophobicContact CB-CG 4.21Å; M432-L437 HydrophobicContact CE-CD2 4.46Å; M432-L437 HydrophobicContact CG-CD2 4.11Å; M432-L437 HydrophobicContact SD-CD2 3.59Å; M432-L437 VanDerWaalsContact SD-CD2 3.59Å; S433-L437 PolarHBondContact O-N 3.28Å; S434-L437 PolarHBondContact O-N 3.12Å; S435-L437 VanDerWaalsContact C-N 3.25Å; S435-L437 PolarHBondContact O-N 2.92Å; L437-R506 HydrophobicContact CD1-CB 4.24Å; L437-R506 HydrophobicContact CD1-CG 4.11Å; L437-M510 HydrophobicContact CB-CG 4.18Å; L437-M510 HydrophobicContact CD1-SD 4.41Å; L437-M510 HydrophobicContact CD2-CE 4.28Å; L437-M510 HydrophobicContact CD2-CG 4.47Å; L437-M510 HydrophobicContact CD2-SD 3.74Å; L437-M510 HydrophobicContact CG-SD 4.43Å; L437-H514 PolarHBondContact O-NE2 2.8Å; L437-V627 HydrophobicContact CB-CG2 4.18Å; L437-V627 HydrophobicContact CD1-CG2 3.73Å
438	R	96	Very high	91.4	Very high	66 Å²	66	53.7 Å²	53.7	25%	0.249	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-94.1	2.5	176.4	-62.6	-175.5	-174.6	159.1	4.6	114.5	M407 L408 S435 G436 F513 V627	M407-R438 WeakPolarHBondContact CA-O 3.41Å; M407-R438 WeakPolarHBondContact CG-O 3.49Å; L408-R438 HydrophobicContact CG-CB 4.44Å; L408-R438 PolarHBondContact N-O 3.02Å; S435-R438 PolarHBondContact O-N 3.28Å; S435-R438 VanDerWaalsContact O-N 3.14Å; G436-R438 PolarHBondContact O-N 2.92Å; R438-F513 HydrophobicContact CB-CE1 3.91Å; R438-F513 HydrophobicContact CB-CE2 4.3Å; R438-F513 HydrophobicContact CB-CZ 3.68Å; R438-F513 HydrophobicContact CG-CD2 4.4Å; R438-F513 HydrophobicContact CG-CE1 4.21Å; R438-F513 HydrophobicContact CG-CE2 3.9Å; R438-F513 HydrophobicContact CG-CZ 3.79Å; R438-V627 VanDerWaalsContact CZ-O 3.25Å; R438-V627 PolarHBondContact NE-O 2.94Å; R438-V627 PolarHBondContact NH2-O 3.24Å
439	R	94.3	Very high	89.9	Confident	100 Å²	100	58.4 Å²	58.4	38%	0.377	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	160	170.5	-65.2	-179.4	-178.4	153	3.4	110.2	L408 N409 G436 L441 H514	L408-R439 HydrophobicContact CB-CG 3.91Å; N409-R439 WeakPolarHBondContact O-CD 3.49Å; N409-R439 PolarHBondContact O-NE 3.33Å; G436-R439 PolarHBondContact O-N 2.83Å; R439-L441 PolarHBondContact O-N 3.33Å; R439-H514 PolarHBondContact O-CE1 3.18Å
440	R	91.4	Very high	88.1	Confident	103 Å²	103	59.6 Å²	59.6	39%	0.389	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.3	127.1	174.2	178.9	173.4	168.2	168.2	-2.6	110.2	Q411 T412	Q411-R440 CarbonylContact C-O 3.58Å; Q411-R440 WeakPolarHBondContact CA-O 3.41Å; Q411-R440 HydrophobicContact CG-CB 4.43Å; T412-R440 PolarHBondContact N-O 2.92Å
441	L	91.2	Very high	86.3	Confident	14 Å²	14	63 Å²	63	7%	0.073	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	141.4	178.2	-57.8	176.6	0	0	0	110.6	T412 R439 F461 M510	T412-L441 HydrophobicContact CG2-CD2 3.77Å; R439-L441 PolarHBondContact O-N 3.33Å; L441-F461 HydrophobicContact CD1-CE2 3.79Å; L441-F461 HydrophobicContact CD1-CZ 3.93Å; L441-M510 HydrophobicContact CD1-CE 3.79Å; L441-M510 HydrophobicContact CD2-CE 3.81Å; L441-M510 HydrophobicContact CG-CE 4.47Å
442	S	89.6	Confident	84.6	Confident	21 Å²	21	56.9 Å²	56.9	15%	0.147	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	100.6	173	177.5	0	0	0	0	107.4	T412 K413 L414 D452	T412-S442 PolarHBondContact O-N 3.26Å; K413-S442 CarbonylContact C-O 3.57Å; K413-S442 VanDerWaalsContact CA-O 3.31Å; K413-S442 WeakPolarHBondContact CA-O 3.38Å; L414-S442 PolarHBondContact N-O 2.98Å; S442-D452 WeakPolarHBondContact CA-OD2 3.17Å
443	I	89.2	Confident	82.9	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	130.8	-176.6	-50.7	-162.9	0	0	0	109.2	L414 I416 D452 V456 A457 W460	L414-I443 HydrophobicContact CB-CG1 4.43Å; L414-I443 HydrophobicContact CD1-CD1 4.18Å; L414-I443 HydrophobicContact CD1-CG1 4.28Å; L414-I443 WeakPolarHBondContact O-CA 3.48Å; I416-I443 HydrophobicContact CD1-CG2 4.37Å; I443-D452 PolarHBondContact N-OD2 3.41Å; I443-D452 WeakPolarHBondContact O-CB 3.13Å; I443-V456 HydrophobicContact CB-CG1 4.13Å; I443-V456 HydrophobicContact CG2-CG1 4.12Å; I443-V456 WeakPolarHBondContact O-CG1 3.44Å; I443-A457 HydrophobicContact CD1-CB 4.25Å; I443-A457 HydrophobicContact CG1-CB 4.36Å; I443-W460 HydrophobicContact CD1-CB 3.52Å; I443-W460 HydrophobicContact CD1-CD2 3.34Å; I443-W460 HydrophobicContact CD1-CE3 3.38Å; I443-W460 HydrophobicContact CD1-CG 3.41Å; I443-W460 VanDerWaalsContact CD1-CG 3.41Å; I443-W460 HydrophobicContact CD1-CZ3 4.2Å; I443-W460 HydrophobicContact CG2-CB 4.11Å; I443-W460 HydrophobicContact CG2-CG 4.16Å
444	T	88.8	Confident	81.6	Confident	49 Å²	49	57.4 Å²	57.4	30%	0.301	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	122.5	179	-56.2	0	0	0	0	108.5	L414 L415 I416	L414-T444 PolarHBondContact O-N 3.14Å; L415-T444 WeakPolarHBondContact CA-O 3.38Å; L415-T444 HydrophobicContact CD1-CG2 3.85Å; I416-T444 PolarHBondContact N-O 3.25Å
445	F	88.1	Confident	80.8	Confident	6 Å²	6	55.3 Å²	55.3	3%	0.026	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	133.4	171.1	-73.7	-67.4	0	0	0	110	I416 R418 L421 H447 E448 V456 W460	I416-F445 HydrophobicContact CG2-CD1 4.41Å; I416-F445 HydrophobicContact CG2-CE1 4.19Å; I416-F445 CarbonylContact O-C 3.48Å; I416-F445 WeakPolarHBondContact O-CA 3.21Å; R418-F445 HydrophobicContact CG-CB 4.35Å; R418-F445 HydrophobicContact CG-CD1 3.57Å; R418-F445 HydrophobicContact CG-CE1 3.98Å; R418-F445 HydrophobicContact CG-CG 3.95Å; R418-F445 VanDerWaalsContact NH2-CD2 3.31Å; L421-F445 HydrophobicContact CD1-CE1 4.08Å; F445-H447 PolarHBondContact O-N 3.47Å; F445-E448 HydrophobicContact CB-CB 4.14Å; F445-E448 HydrophobicContact CB-CG 4.34Å; F445-E448 PolarHBondContact O-N 2.73Å; F445-V456 HydrophobicContact CD2-CG1 3.73Å; F445-V456 HydrophobicContact CE2-CG1 3.71Å; F445-W460 HydrophobicContact CZ-CB 4.49Å
446	L	86.3	Confident	80.4	Confident	64 Å²	64	53.5 Å²	53.5	34%	0.335	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	134.8	178.3	-77.8	168.1	0	0	0	110.1	L415 I416 E448	L415-L446 HydrophobicContact CD1-CD2 3.76Å; L415-L446 HydrophobicContact CD1-CG 4.18Å; L415-L446 HydrophobicContact CD2-CD2 3.79Å; L415-L446 HydrophobicContact CG-CD2 3.65Å; L415-L446 HydrophobicContact CG-CG 4.1Å; I416-L446 PolarHBondContact O-N 2.98Å; L446-E448 PolarHBondContact O-N 3.08Å
447	H	82.1	Confident	80	Confident	193 Å²	193	53.5 Å²	53.5	89%	0.894	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.2	11.9	-179.2	-44.6	-66.6	0	0	0	115.8	F445	F445-H447 PolarHBondContact O-N 3.47Å
448	E	78.4	Confident	79.5	Confident	54 Å²	54	54.1 Å²	54.1	25%	0.252	26%	0.258	S	S	.	.			trans	-114.6	128.4	174.5	-74	166.8	-130.2	0	0	111.2	R418 F445 L446 G450	R418-E448 WeakPolarHBondContact CD-OE1 3.05Å; R418-E448 IonicContact CZ-OE1 3.41Å; R418-E448 IonicContact CZ-OE2 2.71Å; R418-E448 VanDerWaalsContact CZ-OE2 3.31Å; R418-E448 IonicContact NE-OE1 2.96Å; R418-E448 PolarHBondContact NE-OE1 2.97Å; R418-E448 IonicContact NE-OE2 3.66Å; R418-E448 PolarHBondContact NE-OE2 2.84Å; R418-E448 IonicContact NH2-OE1 3.3Å; R418-E448 IonicContact NH2-OE2 3.83Å; R418-E448 PolarHBondContact NH2-OE2 2.97Å; F445-E448 HydrophobicContact CB-CB 4.14Å; F445-E448 HydrophobicContact CB-CG 4.34Å; F445-E448 PolarHBondContact O-N 2.73Å; L446-E448 PolarHBondContact O-N 3.08Å; E448-G450 PolarHBondContact O-N 3.26Å; E448-G450 VanDerWaalsContact O-N 3.09Å
449	E	64.9	Low	79.1	Confident	159 Å²	159	51.5 Å²	51.5	74%	0.743	25%	0.248	S	C	*	.			trans	-78.9	90.6	168.4	-69.5	-165.2	169.4	0	0	109.3
450	G	58.7	Low	79	Confident	26 Å²	26	46.7 Å²	46.7	27%	0.268	23%	0.231	S	C	.	.			trans	-121.1	114.8	175.1	0	0	0	0	0	111.6	E448 D452	E448-G450 PolarHBondContact O-N 3.26Å; E448-G450 VanDerWaalsContact O-N 3.09Å; G450-D452 PolarHBondContact O-N 3.29Å
451	L	56.3	Low	79	Confident	113 Å²	113	41.8 Å²	41.8	59%	0.592	21%	0.212	S	C	*	.			trans	-80	103.3	166.3	-72.3	163.2	0	0	0	108.5	Y453	L451-Y453 VanDerWaalsContact C-N 3.3Å; L451-Y453 HydrophobicContact CB-CD2 3.9Å; L451-Y453 HydrophobicContact CB-CE2 3.66Å; L451-Y453 HydrophobicContact CD1-CE2 4.27Å; L451-Y453 HydrophobicContact CG-CE2 4.49Å; L451-Y453 WeakPolarHBondContact O-CD2 3.28Å; L451-Y453 PolarHBondContact O-N 3.43Å
452	D	59.3	Low	78.9	Confident	20 Å²	20	42.3 Å²	42.3	11%	0.107	21%	0.213	C	C	.	.			trans	-71.9	82.1	-176.2	-171.3	17.3	0	0	0	112.9	S442 I443 G450 G454 V456 A457	S442-D452 WeakPolarHBondContact CA-OD2 3.17Å; I443-D452 PolarHBondContact N-OD2 3.41Å; I443-D452 WeakPolarHBondContact O-CB 3.13Å; G450-D452 PolarHBondContact O-N 3.29Å; D452-G454 PolarHBondContact O-N 3.03Å; D452-G454 VanDerWaalsContact OD1-CA 3.27Å; D452-G454 WeakPolarHBondContact OD1-CA 3.14Å; D452-G454 PolarHBondContact OD1-N 2.97Å; D452-V456 HydrophobicContact CB-CB 4.3Å; D452-V456 HydrophobicContact CB-CG2 4.47Å; D452-A457 PolarHBondContact OD1-N 3.22Å
453	Y	58.2	Low	78.9	Confident	112 Å²	112	46 Å²	46	44%	0.439	22%	0.224	S	C	.	.	S	Bend	trans	-86.3	23.8	165.5	-69.5	-73.1	0	0	0	110.9	L451 S711 C734	L451-Y453 VanDerWaalsContact C-N 3.3Å; L451-Y453 HydrophobicContact CB-CD2 3.9Å; L451-Y453 HydrophobicContact CB-CE2 3.66Å; L451-Y453 HydrophobicContact CD1-CE2 4.27Å; L451-Y453 HydrophobicContact CG-CE2 4.49Å; L451-Y453 WeakPolarHBondContact O-CD2 3.28Å; L451-Y453 PolarHBondContact O-N 3.43Å; Y453-S711 WeakPolarHBondContact O-CA 3.28Å; Y453-S711 WeakPolarHBondContact O-CB 3.45Å; Y453-S711 PolarHBondContact O-N 2.71Å; Y453-C734 VanDerWaalsContact CB-CB 3.44Å; Y453-C734 WeakPolarHBondContact CB-SG 3.44Å; Y453-C734 HydrophobicContact CG-CB 4.47Å
454	G	67.3	Low	79.1	Confident	7 Å²	7	46 Å²	46	7%	0.072	22%	0.224	C	C	.	.	S	Bend	trans	102.6	-16.5	171.3	0	0	0	0	0	115.6	D452 R458	D452-G454 PolarHBondContact O-N 3.03Å; D452-G454 VanDerWaalsContact OD1-CA 3.27Å; D452-G454 WeakPolarHBondContact OD1-CA 3.14Å; D452-G454 PolarHBondContact OD1-N 2.97Å; G454-R458 WeakPolarHBondContact O-CG 3.42Å; G454-R458 PolarHBondContact O-N 2.73Å; G454-R458 VanDerWaalsContact O-N 3.13Å
455	G	74.7	Confident	79.3	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-65.7	-46.1	174	0	0	0	0	0	112.3	A457 R458 E459	G455-A457 VanDerWaalsContact C-N 3.31Å; G455-A457 PolarHBondContact O-N 3.06Å; G455-R458 WeakPolarHBondContact O-CB 3.45Å; G455-R458 PolarHBondContact O-N 3Å; G455-R458 VanDerWaalsContact O-N 3.16Å; G455-E459 PolarHBondContact O-N 3.15Å
456	V	84.1	Confident	79.3	Confident	13 Å²	13	50.1 Å²	50.1	8%	0.079	23%	0.234	C	C	.	.	H	α-helix	trans	-62.8	-40.2	177.1	-172.6	0	0	0	0	110.5	I443 F445 D452 R458 E459 W460	I443-V456 HydrophobicContact CB-CG1 4.13Å; I443-V456 HydrophobicContact CG2-CG1 4.12Å; I443-V456 WeakPolarHBondContact O-CG1 3.44Å; F445-V456 HydrophobicContact CD2-CG1 3.73Å; F445-V456 HydrophobicContact CE2-CG1 3.71Å; D452-V456 HydrophobicContact CB-CB 4.3Å; D452-V456 HydrophobicContact CB-CG2 4.47Å; V456-R458 PolarHBondContact O-N 3.37Å; V456-E459 PolarHBondContact O-N 3.29Å; V456-W460 WeakPolarHBondContact O-CB 3.41Å; V456-W460 PolarHBondContact O-N 2.83Å
457	A	86.7	Confident	79.5	Confident	3 Å²	3	51.4 Å²	51.4	3%	0.025	24%	0.238	C	C	.	.	H	α-helix	trans	-58.9	-45.3	173.3	0	0	0	0	0	113	I443 D452 G455 W460 F461	I443-A457 HydrophobicContact CD1-CB 4.25Å; I443-A457 HydrophobicContact CG1-CB 4.36Å; D452-A457 PolarHBondContact OD1-N 3.22Å; G455-A457 VanDerWaalsContact C-N 3.31Å; G455-A457 PolarHBondContact O-N 3.06Å; A457-W460 PolarHBondContact O-N 3.44Å; A457-F461 VanDerWaalsContact O-CD2 3.23Å; A457-F461 WeakPolarHBondContact O-CD2 3.26Å; A457-F461 PolarHBondContact O-N 3.46Å; A457-F461 VanDerWaalsContact O-N 3.12Å
458	R	83.8	Confident	79.9	Confident	14 Å²	14	42.3 Å²	42.3	5%	0.053	20%	0.196	C	C	.	.	H	α-helix	trans	-62	-43.3	176.6	-70.8	176	-158.3	132.4	5.7	111.9	G454 G455 V456 W460 F461 Y462 T695 T709 T733	G454-R458 WeakPolarHBondContact O-CG 3.42Å; G454-R458 PolarHBondContact O-N 2.73Å; G454-R458 VanDerWaalsContact O-N 3.13Å; G455-R458 WeakPolarHBondContact O-CB 3.45Å; G455-R458 PolarHBondContact O-N 3Å; G455-R458 VanDerWaalsContact O-N 3.16Å; V456-R458 PolarHBondContact O-N 3.37Å; R458-W460 VanDerWaalsContact C-N 3.32Å; R458-W460 PolarHBondContact O-N 3.24Å; R458-F461 PolarHBondContact O-N 2.94Å; R458-Y462 WeakPolarHBondContact O-CB 3.29Å; R458-Y462 PolarHBondContact O-N 3.32Å; R458-T695 VanDerWaalsContact CD-O 3.31Å; R458-T695 WeakPolarHBondContact CD-O 3.22Å; R458-T695 PolarHBondContact NH1-O 3.4Å; R458-T709 PolarHBondContact NH2-O 3.24Å; R458-T733 PolarHBondContact NH1-O 2.92Å
459	E	86.7	Confident	80.3	Confident	10 Å²	10	40.4 Å²	40.4	5%	0.047	19%	0.188	C	C	.	.	H	α-helix	trans	-58.6	-46.7	176.6	-170.6	-176.7	-171.8	0	0	111.3	R418 G455 V456 F461 Y462 R463 F763	R418-E459 IonicContact CZ-OE1 2.79Å; R418-E459 IonicContact CZ-OE2 3.84Å; R418-E459 VanDerWaalsContact NH1-CD 3.33Å; R418-E459 IonicContact NH1-OE1 3.1Å; R418-E459 PolarHBondContact NH1-OE1 2.98Å; R418-E459 IonicContact NH1-OE2 2.7Å; R418-E459 PolarHBondContact NH1-OE2 3.28Å; R418-E459 IonicContact NH2-OE1 2.7Å; R418-E459 PolarHBondContact NH2-OE1 2.87Å; R418-E459 IonicContact NH2-OE2 3.84Å; R418-E459 PolarHBondContact NH2-OE2 3.44Å; G455-E459 PolarHBondContact O-N 3.15Å; V456-E459 PolarHBondContact O-N 3.29Å; E459-F461 PolarHBondContact O-N 2.84Å; E459-Y462 PolarHBondContact O-N 3.39Å; E459-R463 HydrophobicContact CG-CG 4.13Å; E459-R463 WeakPolarHBondContact O-CG 3.3Å; E459-R463 PolarHBondContact O-N 3.47Å; E459-F763 HydrophobicContact CB-CD2 3.71Å; E459-F763 HydrophobicContact CB-CE2 3.67Å; E459-F763 VanDerWaalsContact CD-CD2 3.45Å; E459-F763 HydrophobicContact CG-CD2 3.88Å; E459-F763 HydrophobicContact CG-CE2 3.74Å; E459-F763 WeakPolarHBondContact OE2-CD2 3.39Å
460	W	92.3	Very high	81.2	Confident	0 Å²	0	36 Å²	36	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-59.2	-47.8	179	176.1	79.2	0	0	0	112.1	L414 S425 V429 I443 F445 V456 A457 R458 Y462 R463 L464 F507 M510	L414-W460 HydrophobicContact CD1-CH2 4.3Å; L414-W460 HydrophobicContact CD1-CZ2 4.18Å; S425-W460 PolarHBondContact OG-NE1 3.08Å; V429-W460 HydrophobicContact CG2-CH2 4.3Å; V429-W460 HydrophobicContact CG2-CZ2 4.27Å; I443-W460 HydrophobicContact CD1-CB 3.52Å; I443-W460 HydrophobicContact CD1-CD2 3.34Å; I443-W460 HydrophobicContact CD1-CE3 3.38Å; I443-W460 HydrophobicContact CD1-CG 3.41Å; I443-W460 VanDerWaalsContact CD1-CG 3.41Å; I443-W460 HydrophobicContact CD1-CZ3 4.2Å; I443-W460 HydrophobicContact CG2-CB 4.11Å; I443-W460 HydrophobicContact CG2-CG 4.16Å; F445-W460 HydrophobicContact CZ-CB 4.49Å; V456-W460 WeakPolarHBondContact O-CB 3.41Å; V456-W460 PolarHBondContact O-N 2.83Å; A457-W460 PolarHBondContact O-N 3.44Å; R458-W460 VanDerWaalsContact C-N 3.32Å; R458-W460 PolarHBondContact O-N 3.24Å; W460-Y462 VanDerWaalsContact C-N 3.32Å; W460-Y462 PolarHBondContact O-N 3.48Å; W460-R463 PolarHBondContact O-N 2.81Å; W460-L464 HydrophobicContact CD2-CD2 4.29Å; W460-L464 HydrophobicContact CH2-CD2 3.9Å; W460-L464 HydrophobicContact CZ2-CD2 3.3Å; W460-L464 WeakPolarHBondContact O-CB 3.22Å; W460-L464 PolarHBondContact O-N 3.28Å; W460-F507 HydrophobicContact CE3-CE2 4.49Å; W460-F507 AromaticContact CH2-CD2 3.95Å; W460-F507 HydrophobicContact CH2-CD2 3.95Å; W460-F507 HydrophobicContact CH2-CE2 4.24Å; W460-F507 HydrophobicContact CZ3-CD2 4.13Å; W460-F507 HydrophobicContact CZ3-CE2 4.06Å; W460-M510 HydrophobicContact CH2-CE 3.92Å; W460-M510 HydrophobicContact CZ3-CE 4.12Å
461	F	92.6	Very high	82.4	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-58.7	-44.6	175.5	-84	-78	0	0	0	111.9	L441 A457 R458 E459 S465 F507 M510 A511 R516 I518	L441-F461 HydrophobicContact CD1-CE2 3.79Å; L441-F461 HydrophobicContact CD1-CZ 3.93Å; A457-F461 VanDerWaalsContact O-CD2 3.23Å; A457-F461 WeakPolarHBondContact O-CD2 3.26Å; A457-F461 PolarHBondContact O-N 3.46Å; A457-F461 VanDerWaalsContact O-N 3.12Å; R458-F461 PolarHBondContact O-N 2.94Å; E459-F461 PolarHBondContact O-N 2.84Å; F461-S465 WeakPolarHBondContact O-CB 3.07Å; F461-S465 PolarHBondContact O-N 3.18Å; F461-S465 VanDerWaalsContact O-N 3.08Å; F461-S465 PolarHBondContact O-OG 3.41Å; F461-F507 HydrophobicContact CD1-CD2 4.06Å; F461-F507 AromaticContact CD1-CE2 3.34Å; F461-F507 HydrophobicContact CD1-CE2 3.34Å; F461-F507 AromaticContact CD1-CZ 3.75Å; F461-F507 HydrophobicContact CD1-CZ 3.75Å; F461-F507 HydrophobicContact CE1-CD2 4.08Å; F461-F507 AromaticContact CE1-CE2 3.84Å; F461-F507 HydrophobicContact CE1-CE2 3.84Å; F461-F507 HydrophobicContact CG-CE2 4.21Å; F461-F507 WeakPolarHBondContact O-CZ 3.4Å; F461-M510 HydrophobicContact CE1-CB 4.07Å; F461-M510 HydrophobicContact CZ-CB 3.94Å; F461-A511 HydrophobicContact CD1-CB 3.77Å; F461-A511 VanDerWaalsContact CE1-CA 3.42Å; F461-A511 HydrophobicContact CE1-CB 3.61Å; F461-R516 HydrophobicContact CB-CB 4.19Å; F461-R516 HydrophobicContact CD1-CB 4.17Å; F461-R516 HydrophobicContact CD2-CB 3.45Å; F461-R516 VanDerWaalsContact CD2-CB 3.45Å; F461-R516 HydrophobicContact CD2-CG 3.46Å; F461-R516 VanDerWaalsContact CD2-CG 3.46Å; F461-R516 HydrophobicContact CE1-CB 4.45Å; F461-R516 HydrophobicContact CE2-CB 3.79Å; F461-R516 HydrophobicContact CE2-CG 3.47Å; F461-R516 VanDerWaalsContact CE2-CG 3.47Å; F461-R516 HydrophobicContact CG-CB 3.68Å; F461-R516 HydrophobicContact CG-CG 4.22Å; F461-R516 HydrophobicContact CZ-CB 4.26Å; F461-R516 HydrophobicContact CZ-CG 4.2Å; F461-I518 HydrophobicContact CB-CG2 4.36Å; F461-I518 HydrophobicContact CD1-CG2 4.07Å
462	Y	88.5	Confident	83.5	Confident	25 Å²	25	37.6 Å²	37.6	10%	0.098	17%	0.17	C	C	.	.	H	α-helix	trans	-63.7	-49	179.5	174.5	-99	0	0	0	113	R458 E459 W460 S465 R466 D519 Q692 C698	R458-Y462 WeakPolarHBondContact O-CB 3.29Å; R458-Y462 PolarHBondContact O-N 3.32Å; E459-Y462 PolarHBondContact O-N 3.39Å; W460-Y462 VanDerWaalsContact C-N 3.32Å; W460-Y462 PolarHBondContact O-N 3.48Å; Y462-S465 PolarHBondContact O-OG 3.43Å; Y462-R466 PolarHBondContact OH-NH1 3.47Å; Y462-D519 HydrophobicContact CD2-CB 3.65Å; Y462-D519 HydrophobicContact CE2-CB 3.51Å; Y462-D519 VanDerWaalsContact CE2-OD2 3.31Å; Y462-D519 WeakPolarHBondContact CE2-OD2 3.17Å; Y462-Q692 VanDerWaalsContact CD1-NE2 3.27Å; Y462-C698 WeakPolarHBondContact CE2-SG 3.41Å
463	R	90.3	Very high	84.6	Confident	97 Å²	97	39.6 Å²	39.6	37%	0.366	18%	0.178	S	C	.	.	H	α-helix	trans	-72.3	-42.7	-177.1	-63.3	-171	94.6	-159.7	5.9	111.2	L421 E459 W460 S465 R466 E467	L421-R463 HydrophobicContact CD2-CB 3.5Å; L421-R463 VanDerWaalsContact CD2-CB 3.5Å; E459-R463 HydrophobicContact CG-CG 4.13Å; E459-R463 WeakPolarHBondContact O-CG 3.3Å; E459-R463 PolarHBondContact O-N 3.47Å; W460-R463 PolarHBondContact O-N 2.81Å; R463-S465 VanDerWaalsContact C-N 3.32Å; R463-S465 PolarHBondContact O-N 3.02Å; R463-R466 PolarHBondContact O-N 3.46Å; R463-E467 PolarHBondContact O-N 3.25Å
464	L	93.8	Very high	86	Confident	0 Å²	0	35 Å²	35	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-65.8	-35.5	-179	-179.9	60.4	0	0	0	111.7	L421 L422 W460 R466 E467 I468 F503 F507	L421-L464 HydrophobicContact CD2-CB 4.42Å; L421-L464 HydrophobicContact CG-CB 4.47Å; L421-L464 HydrophobicContact CG-CD1 4.39Å; L422-L464 HydrophobicContact CB-CD1 4.45Å; L422-L464 HydrophobicContact CD1-CD1 3.8Å; W460-L464 HydrophobicContact CD2-CD2 4.29Å; W460-L464 HydrophobicContact CH2-CD2 3.9Å; W460-L464 HydrophobicContact CZ2-CD2 3.3Å; W460-L464 WeakPolarHBondContact O-CB 3.22Å; W460-L464 PolarHBondContact O-N 3.28Å; L464-R466 VanDerWaalsContact C-N 3.3Å; L464-R466 PolarHBondContact O-N 3.42Å; L464-E467 PolarHBondContact O-N 2.9Å; L464-I468 HydrophobicContact CD1-CD1 4Å; L464-I468 HydrophobicContact CD1-CG1 4Å; L464-I468 HydrophobicContact CD2-CD1 4.3Å; L464-I468 HydrophobicContact CG-CD1 3.72Å; L464-I468 HydrophobicContact CG-CG1 4.2Å; L464-I468 WeakPolarHBondContact O-CB 3.22Å; L464-I468 VanDerWaalsContact O-CG1 3.32Å; L464-I468 WeakPolarHBondContact O-CG1 3.07Å; L464-I468 PolarHBondContact O-N 3.49Å; L464-F503 HydrophobicContact CD1-CZ 4.31Å; L464-F503 HydrophobicContact CD2-CZ 3.95Å; L464-F507 HydrophobicContact CB-CE2 4.12Å; L464-F507 HydrophobicContact CB-CZ 4.33Å; L464-F507 HydrophobicContact CD2-CD2 3.62Å; L464-F507 HydrophobicContact CD2-CE2 3.58Å; L464-F507 HydrophobicContact CD2-CG 4.48Å; L464-F507 HydrophobicContact CD2-CZ 4.43Å; L464-F507 HydrophobicContact CG-CD2 4.3Å; L464-F507 HydrophobicContact CG-CE2 3.97Å; L464-F507 HydrophobicContact CG-CZ 4.34Å
465	S	92.5	Very high	87.1	Confident	1 Å²	1	34.8 Å²	34.8	1%	0.007	16%	0.162	C	C	.	.	H	α-helix	trans	-61.4	-40.3	176.1	71.3	0	0	0	0	111.8	F461 Y462 R463 I468 L469 D519	F461-S465 WeakPolarHBondContact O-CB 3.07Å; F461-S465 PolarHBondContact O-N 3.18Å; F461-S465 VanDerWaalsContact O-N 3.08Å; F461-S465 PolarHBondContact O-OG 3.41Å; Y462-S465 PolarHBondContact O-OG 3.43Å; R463-S465 VanDerWaalsContact C-N 3.32Å; R463-S465 PolarHBondContact O-N 3.02Å; S465-I468 PolarHBondContact O-N 3.39Å; S465-L469 WeakPolarHBondContact O-CB 3.47Å; S465-L469 WeakPolarHBondContact O-CG 3.49Å; S465-L469 PolarHBondContact O-N 2.91Å; S465-D519 WeakPolarHBondContact CB-O 3.25Å; S465-D519 PolarHBondContact OG-N 3.29Å; S465-D519 PolarHBondContact OG-O 2.9Å
466	R	88.7	Confident	87.9	Confident	141 Å²	141	34.8 Å²	34.8	53%	0.532	16%	0.163	S	C	.	.	H	α-helix	trans	-66.7	-37.5	176.6	-65.7	-178.5	63.8	144.3	6.6	113	Y462 R463 L464 N470 D519	Y462-R466 PolarHBondContact OH-NH1 3.47Å; R463-R466 PolarHBondContact O-N 3.46Å; L464-R466 VanDerWaalsContact C-N 3.3Å; L464-R466 PolarHBondContact O-N 3.42Å; R466-N470 PolarHBondContact O-N 3.47Å; R466-D519 HydrophobicContact CG-CB 4.25Å; R466-D519 IonicContact NH1-OD2 3.13Å
467	E	90.2	Very high	88.1	Confident	91 Å²	91	37 Å²	37	43%	0.425	17%	0.172	S	C	.	.	H	α-helix	trans	-67.4	-47.2	175	-68.6	-63.4	160.2	0	0	111.8	L421 L422 R463 L464 L469 N470	L421-E467 HydrophobicContact CD2-CG 4.09Å; L422-E467 HydrophobicContact CB-CB 4.26Å; R463-E467 PolarHBondContact O-N 3.25Å; L464-E467 PolarHBondContact O-N 2.9Å; E467-L469 VanDerWaalsContact C-N 3.32Å; E467-L469 PolarHBondContact O-N 2.89Å; E467-N470 VanDerWaalsContact O-CB 3.31Å; E467-N470 WeakPolarHBondContact O-CB 3.49Å; E467-N470 PolarHBondContact O-N 2.8Å
468	I	90.8	Very high	87.8	Confident	3 Å²	3	43.1 Å²	43.1	2%	0.015	20%	0.195	C	C	.	.	H	α-helix	trans	-60.2	-43.5	178.7	-73.4	171	0	0	0	111.4	L422 L464 S465 N470 F476 F503 V504 F507	L422-I468 HydrophobicContact CD1-CG1 3.61Å; L464-I468 HydrophobicContact CD1-CD1 4Å; L464-I468 HydrophobicContact CD1-CG1 4Å; L464-I468 HydrophobicContact CD2-CD1 4.3Å; L464-I468 HydrophobicContact CG-CD1 3.72Å; L464-I468 HydrophobicContact CG-CG1 4.2Å; L464-I468 WeakPolarHBondContact O-CB 3.22Å; L464-I468 VanDerWaalsContact O-CG1 3.32Å; L464-I468 WeakPolarHBondContact O-CG1 3.07Å; L464-I468 PolarHBondContact O-N 3.49Å; S465-I468 PolarHBondContact O-N 3.39Å; I468-N470 VanDerWaalsContact C-N 3.28Å; I468-N470 PolarHBondContact O-N 3.01Å; I468-F476 HydrophobicContact CG2-CE2 4.03Å; I468-F503 HydrophobicContact CD1-CD1 4.44Å; I468-F503 HydrophobicContact CD1-CE1 3.65Å; I468-F503 HydrophobicContact CD1-CZ 4.15Å; I468-F503 HydrophobicContact CG1-CE1 4.04Å; I468-V504 HydrophobicContact CD1-CG2 4.46Å; I468-V504 HydrophobicContact CG2-CB 4.36Å; I468-V504 HydrophobicContact CG2-CG1 4.12Å; I468-V504 HydrophobicContact CG2-CG2 3.36Å; I468-F507 HydrophobicContact CD1-CB 4.41Å; I468-F507 HydrophobicContact CD1-CD1 3.76Å; I468-F507 HydrophobicContact CD1-CE1 4.12Å; I468-F507 HydrophobicContact CD1-CG 3.97Å
469	L	86.3	Confident	87.1	Confident	14 Å²	14	43 Å²	43	7%	0.073	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85	-1.2	-174.5	-66.9	179.9	0	0	0	113.1	S465 E467 P471 F476 L485 L522	S465-L469 WeakPolarHBondContact O-CB 3.47Å; S465-L469 WeakPolarHBondContact O-CG 3.49Å; S465-L469 PolarHBondContact O-N 2.91Å; E467-L469 VanDerWaalsContact C-N 3.32Å; E467-L469 PolarHBondContact O-N 2.89Å; L469-P471 WeakPolarHBondContact O-CD 3.07Å; L469-F476 HydrophobicContact CD2-CD1 4.22Å; L469-F476 HydrophobicContact CD2-CD2 3.79Å; L469-F476 HydrophobicContact CD2-CE1 4.13Å; L469-F476 HydrophobicContact CD2-CE2 3.7Å; L469-F476 HydrophobicContact CD2-CG 4.07Å; L469-F476 HydrophobicContact CD2-CZ 3.88Å; L469-L485 HydrophobicContact CB-CD1 3.72Å; L469-L485 HydrophobicContact CD1-CD1 4.41Å; L469-L485 HydrophobicContact CD2-CD1 4.36Å; L469-L485 HydrophobicContact CG-CD1 4.38Å; L469-L485 WeakPolarHBondContact O-CD1 2.91Å; L469-L522 HydrophobicContact CD2-CD2 3.84Å; L469-L522 HydrophobicContact CD2-CG 4.46Å
470	N	82.7	Confident	85.8	Confident	65 Å²	65	44.7 Å²	44.7	35%	0.348	22%	0.216	S	C	.	.			trans	-65.4	117.1	175.5	-173.6	-17.7	0	0	0	110.2	R466 E467 I468 M472 F473	R466-N470 PolarHBondContact O-N 3.47Å; E467-N470 VanDerWaalsContact O-CB 3.31Å; E467-N470 WeakPolarHBondContact O-CB 3.49Å; E467-N470 PolarHBondContact O-N 2.8Å; I468-N470 VanDerWaalsContact C-N 3.28Å; I468-N470 PolarHBondContact O-N 3.01Å; N470-M472 PolarHBondContact O-N 2.63Å; N470-M472 WeakPolarHBondContact OD1-CB 3.46Å; N470-M472 WeakPolarHBondContact OD1-CG 3.43Å; N470-M472 PolarHBondContact OD1-N 3.4Å; N470-F473 WeakPolarHBondContact O-CB 3.35Å; N470-F473 PolarHBondContact O-N 3.19Å
471	P	83.7	Confident	83.5	Confident	25 Å²	25	50.3 Å²	50.3	16%	0.162	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-60.7	-19.3	-178.5	-27.9	39.4	0	0	0	114.3	L469 F473 G474 F476 Y478 L485	L469-P471 WeakPolarHBondContact O-CD 3.07Å; P471-F473 PolarHBondContact O-N 3.26Å; P471-G474 PolarHBondContact O-N 3.33Å; P471-F476 WeakPolarHBondContact CA-O 3.41Å; P471-Y478 HydrophobicContact CB-CE2 4.41Å; P471-Y478 HydrophobicContact CG-CD2 3.96Å; P471-Y478 HydrophobicContact CG-CE1 4.23Å; P471-Y478 HydrophobicContact CG-CE2 3.58Å; P471-Y478 HydrophobicContact CG-CG 4.45Å; P471-L485 HydrophobicContact CG-CD2 3.82Å
472	M	79.4	Confident	81.2	Confident	148 Å²	148	56.8 Å²	56.8	73%	0.729	29%	0.285	S	S	*	.	G	3₁₀ helix	trans	-66.3	-21.8	175.6	-60.9	-67.7	74	0	0	113.6	N470 G474	N470-M472 PolarHBondContact O-N 2.63Å; N470-M472 WeakPolarHBondContact OD1-CB 3.46Å; N470-M472 WeakPolarHBondContact OD1-CG 3.43Å; N470-M472 PolarHBondContact OD1-N 3.4Å; M472-G474 PolarHBondContact O-N 3.02Å
473	F	83	Confident	79.9	Confident	62 Å²	62	61.4 Å²	61.4	27%	0.272	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-77.5	-9.9	174	-157.2	-105.8	0	0	0	112.8	L422 N470 P471 L475 N494 Y500	L422-F473 HydrophobicContact CD2-CD1 4.13Å; L422-F473 HydrophobicContact CD2-CD2 3.74Å; L422-F473 HydrophobicContact CD2-CE1 4.03Å; L422-F473 HydrophobicContact CD2-CE2 3.59Å; L422-F473 HydrophobicContact CD2-CG 4.02Å; L422-F473 HydrophobicContact CD2-CZ 3.76Å; N470-F473 WeakPolarHBondContact O-CB 3.35Å; N470-F473 PolarHBondContact O-N 3.19Å; P471-F473 PolarHBondContact O-N 3.26Å; F473-L475 VanDerWaalsContact C-N 3.3Å; F473-L475 HydrophobicContact CD1-CD1 3.52Å; F473-L475 HydrophobicContact CD1-CG 3.66Å; F473-L475 HydrophobicContact CE1-CD1 3.82Å; F473-L475 HydrophobicContact CE1-CG 4.16Å; F473-L475 PolarHBondContact O-N 3.05Å; F473-N494 WeakPolarHBondContact CE1-ND2 3.22Å; F473-Y500 AromaticContact CE1-CD1 3.67Å; F473-Y500 HydrophobicContact CE1-CD1 3.67Å; F473-Y500 HydrophobicContact CE1-CD2 4.11Å; F473-Y500 AromaticContact CE1-CE1 3.58Å; F473-Y500 HydrophobicContact CE1-CE1 3.58Å; F473-Y500 HydrophobicContact CE1-CE2 4.06Å; F473-Y500 AromaticContact CE1-CG 3.93Å; F473-Y500 HydrophobicContact CE1-CG 3.93Å; F473-Y500 AromaticContact CE1-CZ 3.8Å; F473-Y500 HydrophobicContact CZ-CD1 4.16Å; F473-Y500 HydrophobicContact CZ-CD2 4.42Å; F473-Y500 AromaticContact CZ-CE1 3.58Å; F473-Y500 HydrophobicContact CZ-CE1 3.58Å; F473-Y500 AromaticContact CZ-CE2 3.9Å; F473-Y500 HydrophobicContact CZ-CE2 3.9Å; F473-Y500 AromaticContact CZ-CZ 3.45Å; F473-Y500 VanDerWaalsContact CZ-CZ 3.45Å
474	G	87.1	Confident	78.7	Confident	17 Å²	17	58 Å²	58	18%	0.175	30%	0.295	C	S	.	.	S	Bend	trans	79.1	0.3	173.9	0	0	0	0	0	115.4	P471 M472 N488 S491	P471-G474 PolarHBondContact O-N 3.33Å; M472-G474 PolarHBondContact O-N 3.02Å; G474-N488 WeakPolarHBondContact O-CB 3.47Å; G474-N488 PolarHBondContact O-ND2 2.94Å; G474-N488 VanDerWaalsContact O-ND2 3.07Å; G474-S491 VanDerWaalsContact O-CA 3.26Å; G474-S491 WeakPolarHBondContact O-CA 3.24Å; G474-S491 WeakPolarHBondContact O-CB 3.24Å
475	L	92.2	Very high	78	Confident	1 Å²	1	58.5 Å²	58.5	1%	0.005	30%	0.298	C	S	.	.	S	Bend	trans	-79.7	-38.5	177.5	-62.7	176.3	0	0	0	112.9	F473 N488 H497 Y500 F501	F473-L475 VanDerWaalsContact C-N 3.3Å; F473-L475 HydrophobicContact CD1-CD1 3.52Å; F473-L475 HydrophobicContact CD1-CG 3.66Å; F473-L475 HydrophobicContact CE1-CD1 3.82Å; F473-L475 HydrophobicContact CE1-CG 4.16Å; F473-L475 PolarHBondContact O-N 3.05Å; L475-N488 WeakPolarHBondContact O-CB 3.43Å; L475-N488 PolarHBondContact O-N 3.38Å; L475-H497 HydrophobicContact CD2-CB 3.77Å; L475-Y500 HydrophobicContact CD1-CD1 4.31Å; L475-Y500 HydrophobicContact CD1-CG 4.25Å; L475-F501 HydrophobicContact CB-CE1 3.93Å; L475-F501 HydrophobicContact CB-CZ 3.9Å; L475-F501 HydrophobicContact CD2-CD2 4.34Å; L475-F501 HydrophobicContact CD2-CE1 4.25Å; L475-F501 HydrophobicContact CD2-CE2 3.82Å; L475-F501 HydrophobicContact CD2-CZ 3.79Å; L475-F501 HydrophobicContact CG-CZ 4.42Å; L475-F501 VanDerWaalsContact O-CZ 3.28Å; L475-F501 WeakPolarHBondContact O-CZ 3.04Å
476	F	91.6	Very high	77.6	Confident	1 Å²	1	59.8 Å²	59.8	0%	0.004	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	157.7	-179.6	-64.8	-88.9	0	0	0	110.4	I468 L469 P471 L485 Q486 V487 F501 V504 L522 F526	I468-F476 HydrophobicContact CG2-CE2 4.03Å; L469-F476 HydrophobicContact CD2-CD1 4.22Å; L469-F476 HydrophobicContact CD2-CD2 3.79Å; L469-F476 HydrophobicContact CD2-CE1 4.13Å; L469-F476 HydrophobicContact CD2-CE2 3.7Å; L469-F476 HydrophobicContact CD2-CG 4.07Å; L469-F476 HydrophobicContact CD2-CZ 3.88Å; P471-F476 WeakPolarHBondContact CA-O 3.41Å; F476-L485 HydrophobicContact CB-CD2 4.3Å; F476-Q486 CarbonylContact C-O 3.55Å; F476-Q486 VanDerWaalsContact CA-O 3.25Å; F476-Q486 WeakPolarHBondContact CA-O 3.42Å; F476-Q486 WeakPolarHBondContact CD1-O 3.4Å; F476-V487 HydrophobicContact CD1-CG2 4.49Å; F476-V487 HydrophobicContact CE1-CG2 4.07Å; F476-F501 HydrophobicContact CE2-CE1 4.45Å; F476-F501 HydrophobicContact CZ-CE1 4.38Å; F476-V504 HydrophobicContact CE2-CG1 4.49Å; F476-V504 HydrophobicContact CE2-CG2 4.49Å; F476-V504 HydrophobicContact CZ-CG1 4.19Å; F476-L522 HydrophobicContact CD1-CD2 4.4Å; F476-L522 HydrophobicContact CE1-CD2 4.09Å; F476-F526 HydrophobicContact CE1-CE2 4.24Å; F476-F526 HydrophobicContact CE1-CZ 4.45Å
477	E	87.4	Confident	77.8	Confident	58 Å²	58	53.5 Å²	53.5	27%	0.271	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	155.9	174.2	66	178.4	-165.5	0	0	110.3	L485 Q486 N488 P489	E477-L485 WeakPolarHBondContact O-CA 3.48Å; E477-Q486 HydrophobicContact CG-CG 3.73Å; E477-Q486 PolarHBondContact N-O 2.79Å; E477-Q486 PolarHBondContact O-N 2.66Å; E477-Q486 PolarHBondContact OE1-NE2 3.1Å; E477-N488 HydrophobicContact CB-CB 4.21Å; E477-N488 HydrophobicContact CG-CB 4.31Å; E477-N488 PolarHBondContact OE2-OD1 3.01Å; E477-P489 WeakPolarHBondContact OE1-CD 3.33Å
478	Y	80.3	Confident	77.9	Confident	133 Å²	133	50.3 Å²	50.3	52%	0.522	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	142.5	173.3	-67.8	-60.5	0	0	0	111.1	P471 Y483 A484 L485	P471-Y478 HydrophobicContact CB-CE2 4.41Å; P471-Y478 HydrophobicContact CG-CD2 3.96Å; P471-Y478 HydrophobicContact CG-CE1 4.23Å; P471-Y478 HydrophobicContact CG-CE2 3.58Å; P471-Y478 HydrophobicContact CG-CG 4.45Å; Y478-Y483 HydrophobicContact CD1-CD1 4.3Å; Y478-Y483 WeakPolarHBondContact CD1-O 3.44Å; Y478-Y483 HydrophobicContact CD2-CD1 4.42Å; Y478-Y483 HydrophobicContact CG-CD1 4.15Å; Y478-A484 CarbonylContact C-O 3.32Å; Y478-A484 WeakPolarHBondContact CA-O 3.31Å; Y478-L485 HydrophobicContact CD1-CD2 3.57Å; Y478-L485 HydrophobicContact CD1-CG 4.28Å; Y478-L485 HydrophobicContact CE1-CD2 3.65Å; Y478-L485 HydrophobicContact CE1-CG 4.27Å; Y478-L485 HydrophobicContact CG-CD2 4.31Å
479	T	69.5	Low	78	Confident	12 Å²	12	51.2 Å²	51.2	7%	0.074	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	155.1	177	-162.5	0	0	0	0	110.5	A484 Q486 T523 T543	T479-A484 HydrophobicContact CG2-CB 4.41Å; T479-A484 PolarHBondContact N-O 2.84Å; T479-A484 PolarHBondContact O-N 3.37Å; T479-Q486 VanDerWaalsContact CB-CD 3.42Å; T479-Q486 VanDerWaalsContact CB-OE1 3.3Å; T479-Q486 HydrophobicContact CG2-CB 4.1Å; T479-Q486 HydrophobicContact CG2-CG 4.12Å; T479-Q486 PolarHBondContact OG1-OE1 3.35Å; T479-T523 HydrophobicContact CG2-CG2 3.67Å; T479-T543 PolarHBondContact OG1-O 3.23Å
480	G	58.5	Low	78.3	Confident	45 Å²	45	51.1 Å²	51.1	46%	0.464	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.4	-169.9	179.7	0	0	0	0	0	115.3	T543	G480-T543 WeakPolarHBondContact CA-O 3.45Å; G480-T543 PolarHBondContact N-O 3.32Å; G480-T543 VanDerWaalsContact N-O 3.09Å
481	T	43.6	Very low	78.9	Confident	117 Å²	117	48 Å²	48	72%	0.718	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-25.1	176.6	47.7	0	0	0	0	113	Y483	T481-Y483 VanDerWaalsContact C-N 3.26Å; T481-Y483 PolarHBondContact O-N 3.36Å
482	D	46.3	Very low	79.3	Confident	136 Å²	136	51 Å²	51	73%	0.727	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.7	9.7	-168.7	-56.4	-13.5	0	0	0	112.1	A484	D482-A484 PolarHBondContact O-N 3.48Å; D482-A484 VanDerWaalsContact O-N 3.17Å
483	Y	60.9	Low	79.7	Confident	123 Å²	123	48.8 Å²	48.8	48%	0.482	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.5	35.8	-176.2	-63.6	-89.9	0	0	0	112.7	N47 Y478 T481	N47-Y483 PolarHBondContact ND2-OH 3.08Å; Y478-Y483 HydrophobicContact CD1-CD1 4.3Å; Y478-Y483 WeakPolarHBondContact CD1-O 3.44Å; Y478-Y483 HydrophobicContact CD2-CD1 4.42Å; Y478-Y483 HydrophobicContact CG-CD1 4.15Å; T481-Y483 VanDerWaalsContact C-N 3.26Å; T481-Y483 PolarHBondContact O-N 3.36Å
484	A	64.4	Low	79.9	Confident	24 Å²	24	47.1 Å²	47.1	20%	0.198	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	158.9	172.4	0	0	0	0	0	109.7	Y478 T479 D482 G521 T523	Y478-A484 CarbonylContact C-O 3.32Å; Y478-A484 WeakPolarHBondContact CA-O 3.31Å; T479-A484 HydrophobicContact CG2-CB 4.41Å; T479-A484 PolarHBondContact N-O 2.84Å; T479-A484 PolarHBondContact O-N 3.37Å; D482-A484 PolarHBondContact O-N 3.48Å; D482-A484 VanDerWaalsContact O-N 3.17Å; A484-G521 CarbonylContact C-O 3.53Å; A484-G521 VanDerWaalsContact CA-O 3.29Å; A484-G521 WeakPolarHBondContact CA-O 3.38Å; A484-T523 HydrophobicContact CB-CG2 3.68Å
485	L	78.5	Confident	80.1	Confident	12 Å²	12	51.8 Å²	51.8	6%	0.063	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	134.9	-174.3	-69.5	169.6	0	0	0	111.5	L469 P471 F476 E477 Y478 G521 L522 T523	L469-L485 HydrophobicContact CB-CD1 3.72Å; L469-L485 HydrophobicContact CD1-CD1 4.41Å; L469-L485 HydrophobicContact CD2-CD1 4.36Å; L469-L485 HydrophobicContact CG-CD1 4.38Å; L469-L485 WeakPolarHBondContact O-CD1 2.91Å; P471-L485 HydrophobicContact CG-CD2 3.82Å; F476-L485 HydrophobicContact CB-CD2 4.3Å; E477-L485 WeakPolarHBondContact O-CA 3.48Å; Y478-L485 HydrophobicContact CD1-CD2 3.57Å; Y478-L485 HydrophobicContact CD1-CG 4.28Å; Y478-L485 HydrophobicContact CE1-CD2 3.65Å; Y478-L485 HydrophobicContact CE1-CG 4.27Å; Y478-L485 HydrophobicContact CG-CD2 4.31Å; L485-G521 PolarHBondContact N-O 2.9Å; L485-L522 HydrophobicContact CB-CD2 4.34Å; L485-T523 PolarHBondContact O-N 3.47Å
486	Q	85.3	Confident	80.1	Confident	28 Å²	28	56.3 Å²	56.3	13%	0.131	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	162.8	169.8	71.7	-172.1	12.4	0	0	110.2	F476 E477 T479 N488	F476-Q486 CarbonylContact C-O 3.55Å; F476-Q486 VanDerWaalsContact CA-O 3.25Å; F476-Q486 WeakPolarHBondContact CA-O 3.42Å; F476-Q486 WeakPolarHBondContact CD1-O 3.4Å; E477-Q486 HydrophobicContact CG-CG 3.73Å; E477-Q486 PolarHBondContact N-O 2.79Å; E477-Q486 PolarHBondContact O-N 2.66Å; E477-Q486 PolarHBondContact OE1-NE2 3.1Å; T479-Q486 VanDerWaalsContact CB-CD 3.42Å; T479-Q486 VanDerWaalsContact CB-OE1 3.3Å; T479-Q486 HydrophobicContact CG2-CB 4.1Å; T479-Q486 HydrophobicContact CG2-CG 4.12Å; T479-Q486 PolarHBondContact OG1-OE1 3.35Å; Q486-N488 PolarHBondContact O-N 2.78Å
487	V	93.1	Very high	80.2	Confident	8 Å²	8	57.4 Å²	57.4	5%	0.048	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	133	174.9	176.6	0	0	0	0	109.5	F476 P489 F501 F526 V613 Q616 I620	F476-V487 HydrophobicContact CD1-CG2 4.49Å; F476-V487 HydrophobicContact CE1-CG2 4.07Å; V487-P489 WeakPolarHBondContact O-CD 3.29Å; V487-F501 HydrophobicContact CG1-CE1 3.89Å; V487-F501 HydrophobicContact CG1-CZ 3.72Å; V487-F501 HydrophobicContact CG2-CE1 4.43Å; V487-F526 HydrophobicContact CG2-CD2 4.32Å; V487-F526 HydrophobicContact CG2-CE2 3.93Å; V487-V613 HydrophobicContact CB-CB 4.21Å; V487-V613 HydrophobicContact CB-CG1 4.03Å; V487-V613 HydrophobicContact CG1-CB 3.96Å; V487-V613 HydrophobicContact CG1-CG1 3.82Å; V487-V613 WeakPolarHBondContact O-CG1 3.34Å; V487-Q616 HydrophobicContact CG1-CB 3.57Å; V487-Q616 HydrophobicContact CG1-CG 3.84Å; V487-I620 HydrophobicContact CG2-CD1 4Å
488	N	91.9	Very high	80.7	Confident	24 Å²	24	57 Å²	57	13%	0.128	31%	0.314	C	S	.	.			trans	-77.7	119.3	179.5	-177.4	-3.3	0	0	0	110.9	G474 L475 E477 Q486 A490 S491	G474-N488 WeakPolarHBondContact O-CB 3.47Å; G474-N488 PolarHBondContact O-ND2 2.94Å; G474-N488 VanDerWaalsContact O-ND2 3.07Å; L475-N488 WeakPolarHBondContact O-CB 3.43Å; L475-N488 PolarHBondContact O-N 3.38Å; E477-N488 HydrophobicContact CB-CB 4.21Å; E477-N488 HydrophobicContact CG-CB 4.31Å; E477-N488 PolarHBondContact OE2-OD1 3.01Å; Q486-N488 PolarHBondContact O-N 2.78Å; N488-A490 PolarHBondContact O-N 3.35Å; N488-A490 WeakPolarHBondContact OD1-CA 3.46Å; N488-A490 WeakPolarHBondContact OD1-CB 3.49Å; N488-A490 PolarHBondContact OD1-N 3.33Å; N488-S491 WeakPolarHBondContact O-CB 3.38Å; N488-S491 PolarHBondContact O-N 2.96Å; N488-S491 PolarHBondContact O-OG 2.95Å
489	P	92.9	Very high	81.5	Confident	23 Å²	23	53 Å²	53	15%	0.149	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-30.8	172.9	-22.3	33.4	0	0	0	113.2	E477 V487 S491 L574 V613	E477-P489 WeakPolarHBondContact OE1-CD 3.33Å; V487-P489 WeakPolarHBondContact O-CD 3.29Å; P489-S491 VanDerWaalsContact C-N 3.26Å; P489-S491 PolarHBondContact O-N 3.49Å; P489-L574 HydrophobicContact CB-CD1 4.12Å; P489-V613 HydrophobicContact CB-CG1 4.24Å; P489-V613 HydrophobicContact CG-CG1 3.86Å
490	A	92.5	Very high	82.8	Confident	12 Å²	12	52.8 Å²	52.8	10%	0.099	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	14.4	176.9	0	0	0	0	0	113.8	N488 H492 V493 L574 L575	N488-A490 PolarHBondContact O-N 3.35Å; N488-A490 WeakPolarHBondContact OD1-CA 3.46Å; N488-A490 WeakPolarHBondContact OD1-CB 3.49Å; N488-A490 PolarHBondContact OD1-N 3.33Å; A490-H492 PolarHBondContact O-N 2.97Å; A490-V493 WeakPolarHBondContact O-CB 3.3Å; A490-V493 VanDerWaalsContact O-CG2 3.25Å; A490-V493 WeakPolarHBondContact O-CG2 3.44Å; A490-V493 PolarHBondContact O-N 2.7Å; A490-L574 HydrophobicContact CB-CD1 3.86Å; A490-L575 HydrophobicContact CB-CD1 4.36Å; A490-L575 HydrophobicContact CB-CD2 3.94Å; A490-L575 HydrophobicContact CB-CG 4.06Å
491	S	94.4	Very high	84.6	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-58.9	-19.1	-179.2	48.3	0	0	0	0	114.7	G474 N488 P489 V493 N494 H497 F501 Q616	G474-S491 VanDerWaalsContact O-CA 3.26Å; G474-S491 WeakPolarHBondContact O-CA 3.24Å; G474-S491 WeakPolarHBondContact O-CB 3.24Å; N488-S491 WeakPolarHBondContact O-CB 3.38Å; N488-S491 PolarHBondContact O-N 2.96Å; N488-S491 PolarHBondContact O-OG 2.95Å; P489-S491 VanDerWaalsContact C-N 3.26Å; P489-S491 PolarHBondContact O-N 3.49Å; S491-V493 PolarHBondContact O-N 3.42Å; S491-V493 VanDerWaalsContact O-N 3.1Å; S491-N494 PolarHBondContact O-N 2.89Å; S491-H497 WeakPolarHBondContact CB-ND1 3.2Å; S491-H497 WeakPolarHBondContact O-CB 3.15Å; S491-H497 PolarHBondContact O-ND1 3.1Å; S491-H497 PolarHBondContact OG-ND1 3.25Å; S491-F501 WeakPolarHBondContact OG-CE2 3.45Å; S491-Q616 WeakPolarHBondContact OG-CG 3.41Å; S491-Q616 PolarHBondContact OG-NE2 2.8Å
492	H	92.4	Very high	87.2	Confident	88 Å²	88	50 Å²	50	41%	0.407	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-62.2	-12.8	174.3	65.6	-88.3	0	0	0	113.8	A490 N494 H497	A490-H492 PolarHBondContact O-N 2.97Å; H492-N494 CarbonylContact O-C 3.48Å; H492-N494 PolarHBondContact O-N 2.88Å; H492-H497 PolarHBondContact N-CE1 3.38Å; H492-H497 PolarHBondContact N-ND1 2.71Å
493	V	88.7	Confident	89.6	Confident	100 Å²	100	43.5 Å²	43.5	61%	0.606	23%	0.233	S	C	*	.	G	3₁₀ helix	trans	-55.9	-31.3	166.2	173.1	0	0	0	0	111	A490 S491 L575	A490-V493 WeakPolarHBondContact O-CB 3.3Å; A490-V493 VanDerWaalsContact O-CG2 3.25Å; A490-V493 WeakPolarHBondContact O-CG2 3.44Å; A490-V493 PolarHBondContact O-N 2.7Å; S491-V493 PolarHBondContact O-N 3.42Å; S491-V493 VanDerWaalsContact O-N 3.1Å; V493-L575 HydrophobicContact CG2-CD1 3.78Å; V493-L575 HydrophobicContact CG2-CD2 4.41Å
494	N	86.7	Confident	91.3	Very high	27 Å²	27	37.8 Å²	37.8	14%	0.144	21%	0.211	C	C	.	.	S	Bend	trans	-89.8	113.8	165.3	-178.4	-21.5	0	0	0	109.3	F473 S491 H492 N496 H497	F473-N494 WeakPolarHBondContact CE1-ND2 3.22Å; S491-N494 PolarHBondContact O-N 2.89Å; H492-N494 CarbonylContact O-C 3.48Å; H492-N494 PolarHBondContact O-N 2.88Å; N494-N496 PolarHBondContact O-N 3.37Å; N494-N496 VanDerWaalsContact O-N 3.11Å; N494-N496 PolarHBondContact OD1-N 3.2Å; N494-H497 HydrophobicContact CB-CB 4.19Å; N494-H497 VanDerWaalsContact O-CB 3.27Å; N494-H497 WeakPolarHBondContact O-CB 3.11Å; N494-H497 PolarHBondContact O-CD2 2.78Å; N494-H497 PolarHBondContact O-N 3.32Å
495	P	90.6	Very high	92.9	Very high	115 Å²	115	36.7 Å²	36.7	75%	0.747	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-22.7	-176.9	25.5	-34.5	0	0	0	113.3
496	N	92	Very high	93.8	Very high	96 Å²	96	37 Å²	37	51%	0.513	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97	7.9	179.3	-66.8	-29.8	0	0	0	113	N494 M498 A499 Y500	N494-N496 PolarHBondContact O-N 3.37Å; N494-N496 VanDerWaalsContact O-N 3.11Å; N494-N496 PolarHBondContact OD1-N 3.2Å; N496-M498 PolarHBondContact O-N 2.77Å; N496-M498 VanDerWaalsContact O-N 3.07Å; N496-A499 PolarHBondContact O-N 2.81Å; N496-Y500 HydrophobicContact CB-CD2 3.86Å; N496-Y500 HydrophobicContact CB-CE2 3.92Å; N496-Y500 WeakPolarHBondContact O-CD2 3.18Å; N496-Y500 PolarHBondContact O-N 3.44Å; N496-Y500 VanDerWaalsContact O-N 3.09Å
497	H	95	Very high	94.4	Very high	24 Å²	24	35.9 Å²	35.9	11%	0.111	20%	0.196	C	C	.	.	H	α-helix	trans	-52.8	-37.5	-170.8	73	141.5	0	0	0	114.3	L475 S491 H492 N494 Y500 F501	L475-H497 HydrophobicContact CD2-CB 3.77Å; S491-H497 WeakPolarHBondContact CB-ND1 3.2Å; S491-H497 WeakPolarHBondContact O-CB 3.15Å; S491-H497 PolarHBondContact O-ND1 3.1Å; S491-H497 PolarHBondContact OG-ND1 3.25Å; H492-H497 PolarHBondContact N-CE1 3.38Å; H492-H497 PolarHBondContact N-ND1 2.71Å; N494-H497 HydrophobicContact CB-CB 4.19Å; N494-H497 VanDerWaalsContact O-CB 3.27Å; N494-H497 WeakPolarHBondContact O-CB 3.11Å; N494-H497 PolarHBondContact O-CD2 2.78Å; N494-H497 PolarHBondContact O-N 3.32Å; H497-Y500 CarbonylContact O-C 3.53Å; H497-Y500 WeakPolarHBondContact O-CB 3.27Å; H497-Y500 PolarHBondContact O-N 3.48Å; H497-F501 HydrophobicContact CB-CD2 4.34Å; H497-F501 HydrophobicContact CB-CE2 4.02Å; H497-F501 AromaticContact ND1-CE2 3.87Å; H497-F501 WeakPolarHBondContact O-CD2 3.46Å; H497-F501 WeakPolarHBondContact O-CG 3.47Å; H497-F501 PolarHBondContact O-N 3.17Å
498	M	97.1	Very high	94.5	Very high	51 Å²	51	35.7 Å²	35.7	25%	0.251	20%	0.195	S	C	.	.	H	α-helix	trans	-61	-46.3	177.2	-69.5	-66.4	114.5	0	0	112.5	N496 Y500 F501 R502 K615 Q616 E619	N496-M498 PolarHBondContact O-N 2.77Å; N496-M498 VanDerWaalsContact O-N 3.07Å; M498-Y500 VanDerWaalsContact C-N 3.3Å; M498-Y500 PolarHBondContact O-N 2.9Å; M498-F501 HydrophobicContact CE-CD2 4.2Å; M498-F501 PolarHBondContact O-N 2.92Å; M498-R502 PolarHBondContact O-N 2.76Å; M498-R502 VanDerWaalsContact O-N 3.07Å; M498-K615 HydrophobicContact CE-CB 4.22Å; M498-K615 HydrophobicContact SD-CB 4.02Å; M498-Q616 HydrophobicContact CE-CB 4.21Å; M498-Q616 HydrophobicContact CE-CG 3.52Å; M498-E619 HydrophobicContact CB-CG 4.43Å; M498-E619 HydrophobicContact SD-CG 3.99Å
499	A	96.9	Very high	94.7	Very high	47 Å²	47	34.5 Å²	34.5	39%	0.388	19%	0.189	S	C	.	.	H	α-helix	trans	-64.5	-40.3	177.4	0	0	0	0	0	110.7	F426 N496 R502 F503	F426-A499 HydrophobicContact CE2-CB 4.11Å; F426-A499 HydrophobicContact CZ-CB 3.89Å; N496-A499 PolarHBondContact O-N 2.81Å; A499-R502 PolarHBondContact O-N 2.72Å; A499-F503 PolarHBondContact O-N 2.8Å
500	Y	96.7	Very high	94.9	Very high	8 Å²	8	33.4 Å²	33.4	3%	0.031	18%	0.182	C	C	.	.	H	α-helix	trans	-59.7	-46	173.1	-87	-76.7	0	0	0	112.2	L422 E423 F426 F473 L475 N496 H497 M498 R502 F503 V504	L422-Y500 HydrophobicContact CD1-CE1 4.46Å; L422-Y500 HydrophobicContact CG-CE1 4.38Å; E423-Y500 PolarHBondContact OE2-OH 3.18Å; F426-Y500 HydrophobicContact CB-CE1 4Å; F426-Y500 HydrophobicContact CD1-CE1 4.15Å; F426-Y500 HydrophobicContact CD1-CE2 4.46Å; F426-Y500 AromaticContact CD1-CZ 3.91Å; F426-Y500 AromaticContact CD2-CD1 3.8Å; F426-Y500 HydrophobicContact CD2-CD1 3.8Å; F426-Y500 AromaticContact CD2-CE1 3.79Å; F426-Y500 HydrophobicContact CD2-CE1 3.79Å; F426-Y500 HydrophobicContact CD2-CG 4.29Å; F426-Y500 HydrophobicContact CE1-CE2 4.28Å; F426-Y500 HydrophobicContact CE2-CD1 4.16Å; F426-Y500 HydrophobicContact CE2-CD2 4.39Å; F426-Y500 HydrophobicContact CE2-CE1 4.34Å; F426-Y500 HydrophobicContact CE2-CG 4.18Å; F426-Y500 HydrophobicContact CG-CD1 4.2Å; F426-Y500 AromaticContact CG-CE1 3.69Å; F426-Y500 HydrophobicContact CG-CE1 3.69Å; F426-Y500 AromaticContact CG-CZ 3.95Å; F426-Y500 HydrophobicContact CZ-CD2 4.43Å; F426-Y500 HydrophobicContact CZ-CE2 4.32Å; F473-Y500 AromaticContact CE1-CD1 3.67Å; F473-Y500 HydrophobicContact CE1-CD1 3.67Å; F473-Y500 HydrophobicContact CE1-CD2 4.11Å; F473-Y500 AromaticContact CE1-CE1 3.58Å; F473-Y500 HydrophobicContact CE1-CE1 3.58Å; F473-Y500 HydrophobicContact CE1-CE2 4.06Å; F473-Y500 AromaticContact CE1-CG 3.93Å; F473-Y500 HydrophobicContact CE1-CG 3.93Å; F473-Y500 AromaticContact CE1-CZ 3.8Å; F473-Y500 HydrophobicContact CZ-CD1 4.16Å; F473-Y500 HydrophobicContact CZ-CD2 4.42Å; F473-Y500 AromaticContact CZ-CE1 3.58Å; F473-Y500 HydrophobicContact CZ-CE1 3.58Å; F473-Y500 AromaticContact CZ-CE2 3.9Å; F473-Y500 HydrophobicContact CZ-CE2 3.9Å; F473-Y500 AromaticContact CZ-CZ 3.45Å; F473-Y500 VanDerWaalsContact CZ-CZ 3.45Å; L475-Y500 HydrophobicContact CD1-CD1 4.31Å; L475-Y500 HydrophobicContact CD1-CG 4.25Å; N496-Y500 HydrophobicContact CB-CD2 3.86Å; N496-Y500 HydrophobicContact CB-CE2 3.92Å; N496-Y500 WeakPolarHBondContact O-CD2 3.18Å; N496-Y500 PolarHBondContact O-N 3.44Å; N496-Y500 VanDerWaalsContact O-N 3.09Å; H497-Y500 CarbonylContact O-C 3.53Å; H497-Y500 WeakPolarHBondContact O-CB 3.27Å; H497-Y500 PolarHBondContact O-N 3.48Å; M498-Y500 VanDerWaalsContact C-N 3.3Å; M498-Y500 PolarHBondContact O-N 2.9Å; Y500-R502 VanDerWaalsContact C-N 3.34Å; Y500-R502 PolarHBondContact O-N 2.7Å; Y500-F503 HydrophobicContact CD1-CD1 4.38Å; Y500-F503 CarbonylContact O-C 3.55Å; Y500-F503 WeakPolarHBondContact O-CA 3.42Å; Y500-F503 WeakPolarHBondContact O-CB 3.02Å; Y500-F503 PolarHBondContact O-N 3.02Å; Y500-F503 VanDerWaalsContact O-N 3.08Å; Y500-V504 WeakPolarHBondContact O-CG2 3.23Å; Y500-V504 PolarHBondContact O-N 3.45Å
501	F	97.5	Very high	95	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-61.8	-38.5	177	-76.4	-57.4	0	0	0	113	L475 F476 V487 S491 H497 M498 F503 V504 G505 Q616 E619 I620	L475-F501 HydrophobicContact CB-CE1 3.93Å; L475-F501 HydrophobicContact CB-CZ 3.9Å; L475-F501 HydrophobicContact CD2-CD2 4.34Å; L475-F501 HydrophobicContact CD2-CE1 4.25Å; L475-F501 HydrophobicContact CD2-CE2 3.82Å; L475-F501 HydrophobicContact CD2-CZ 3.79Å; L475-F501 HydrophobicContact CG-CZ 4.42Å; L475-F501 VanDerWaalsContact O-CZ 3.28Å; L475-F501 WeakPolarHBondContact O-CZ 3.04Å; F476-F501 HydrophobicContact CE2-CE1 4.45Å; F476-F501 HydrophobicContact CZ-CE1 4.38Å; V487-F501 HydrophobicContact CG1-CE1 3.89Å; V487-F501 HydrophobicContact CG1-CZ 3.72Å; V487-F501 HydrophobicContact CG2-CE1 4.43Å; S491-F501 WeakPolarHBondContact OG-CE2 3.45Å; H497-F501 HydrophobicContact CB-CD2 4.34Å; H497-F501 HydrophobicContact CB-CE2 4.02Å; H497-F501 AromaticContact ND1-CE2 3.87Å; H497-F501 WeakPolarHBondContact O-CD2 3.46Å; H497-F501 WeakPolarHBondContact O-CG 3.47Å; H497-F501 PolarHBondContact O-N 3.17Å; M498-F501 HydrophobicContact CE-CD2 4.2Å; M498-F501 PolarHBondContact O-N 2.92Å; F501-F503 VanDerWaalsContact C-N 3.34Å; F501-V504 PolarHBondContact O-N 3.22Å; F501-G505 PolarHBondContact O-N 3.29Å; F501-Q616 HydrophobicContact CD1-CB 4.35Å; F501-Q616 HydrophobicContact CD2-CB 3.58Å; F501-Q616 HydrophobicContact CD2-CG 3.54Å; F501-Q616 HydrophobicContact CE1-CB 4.32Å; F501-Q616 HydrophobicContact CE2-CB 3.59Å; F501-Q616 HydrophobicContact CE2-CG 3.16Å; F501-Q616 HydrophobicContact CG-CB 4Å; F501-Q616 HydrophobicContact CG-CG 4.43Å; F501-Q616 HydrophobicContact CZ-CB 3.95Å; F501-Q616 HydrophobicContact CZ-CG 3.76Å; F501-E619 HydrophobicContact CB-CB 3.94Å; F501-I620 HydrophobicContact CB-CG1 3.91Å; F501-I620 HydrophobicContact CD1-CD1 3.73Å; F501-I620 HydrophobicContact CD1-CG1 3.84Å; F501-I620 HydrophobicContact CE1-CD1 4.34Å; F501-I620 HydrophobicContact CG-CG1 4.26Å; F501-I620 WeakPolarHBondContact O-CA 3.19Å
502	R	97.8	Very high	95	Very high	103 Å²	103	33 Å²	33	39%	0.389	18%	0.178	S	C	.	.	H	α-helix	trans	-63.6	-40	171.9	-169.1	173.7	-179	-178.9	-0.8	112.1	M498 A499 Y500 G505 R506 E619 G623 E626	M498-R502 PolarHBondContact O-N 2.76Å; M498-R502 VanDerWaalsContact O-N 3.07Å; A499-R502 PolarHBondContact O-N 2.72Å; Y500-R502 VanDerWaalsContact C-N 3.34Å; Y500-R502 PolarHBondContact O-N 2.7Å; R502-G505 PolarHBondContact O-N 2.64Å; R502-R506 PolarHBondContact O-N 2.68Å; R502-E619 WeakPolarHBondContact CA-O 3.39Å; R502-E619 HydrophobicContact CB-CB 4.25Å; R502-G623 WeakPolarHBondContact O-CA 2.93Å; R502-E626 IonicContact CZ-OE1 3.39Å; R502-E626 IonicContact NE-OE1 2.78Å; R502-E626 PolarHBondContact NE-OE1 3.35Å; R502-E626 IonicContact NE-OE2 3.17Å; R502-E626 IonicContact NH2-OE1 3.4Å; R502-E626 PolarHBondContact NH2-OE1 3.48Å; R502-E626 IonicContact NH2-OE2 2.63Å
503	F	97.3	Very high	95.1	Very high	1 Å²	1	29.2 Å²	29.2	0%	0.004	16%	0.16	C	C	.	.	H	α-helix	trans	-62.9	-44.7	172.6	160.9	-107.4	0	0	0	112.4	L422 S425 F426 V429 L464 I468 A499 Y500 F501 G505 R506 F507	L422-F503 HydrophobicContact CD1-CE1 3.96Å; S425-F503 WeakPolarHBondContact O-CE2 3.4Å; F426-F503 HydrophobicContact CB-CD1 4.29Å; F426-F503 HydrophobicContact CB-CE1 4.22Å; F426-F503 HydrophobicContact CB-CG 4.45Å; F426-F503 HydrophobicContact CB-CZ 4.33Å; F426-F503 HydrophobicContact CD2-CB 3.62Å; F426-F503 AromaticContact CD2-CD1 3.87Å; F426-F503 HydrophobicContact CD2-CD1 3.87Å; F426-F503 HydrophobicContact CD2-CD2 4.33Å; F426-F503 AromaticContact CD2-CG 3.69Å; F426-F503 HydrophobicContact CD2-CG 3.69Å; F426-F503 HydrophobicContact CE2-CB 3.97Å; V429-F503 HydrophobicContact CB-CD2 3.86Å; V429-F503 HydrophobicContact CB-CE2 3.74Å; V429-F503 HydrophobicContact CG1-CD2 3.86Å; V429-F503 HydrophobicContact CG1-CE2 4.02Å; V429-F503 HydrophobicContact CG2-CE2 4.12Å; L464-F503 HydrophobicContact CD1-CZ 4.31Å; L464-F503 HydrophobicContact CD2-CZ 3.95Å; I468-F503 HydrophobicContact CD1-CD1 4.44Å; I468-F503 HydrophobicContact CD1-CE1 3.65Å; I468-F503 HydrophobicContact CD1-CZ 4.15Å; I468-F503 HydrophobicContact CG1-CE1 4.04Å; A499-F503 PolarHBondContact O-N 2.8Å; Y500-F503 HydrophobicContact CD1-CD1 4.38Å; Y500-F503 CarbonylContact O-C 3.55Å; Y500-F503 WeakPolarHBondContact O-CA 3.42Å; Y500-F503 WeakPolarHBondContact O-CB 3.02Å; Y500-F503 PolarHBondContact O-N 3.02Å; Y500-F503 VanDerWaalsContact O-N 3.08Å; F501-F503 VanDerWaalsContact C-N 3.34Å; F503-G505 PolarHBondContact O-N 2.83Å; F503-R506 WeakPolarHBondContact O-CB 3.44Å; F503-R506 PolarHBondContact O-N 3.36Å; F503-R506 VanDerWaalsContact O-N 3.11Å; F503-F507 WeakPolarHBondContact O-CB 3.25Å; F503-F507 PolarHBondContact O-N 3.5Å
504	V	96.4	Very high	95.3	Very high	3 Å²	3	26.2 Å²	26.2	2%	0.018	14%	0.139	C	C	.	.	H	α-helix	trans	-57	-43	173.6	175.6	0	0	0	0	110.3	I468 F476 Y500 F501 F507 I508	I468-V504 HydrophobicContact CD1-CG2 4.46Å; I468-V504 HydrophobicContact CG2-CB 4.36Å; I468-V504 HydrophobicContact CG2-CG1 4.12Å; I468-V504 HydrophobicContact CG2-CG2 3.36Å; F476-V504 HydrophobicContact CE2-CG1 4.49Å; F476-V504 HydrophobicContact CE2-CG2 4.49Å; F476-V504 HydrophobicContact CZ-CG1 4.19Å; Y500-V504 WeakPolarHBondContact O-CG2 3.23Å; Y500-V504 PolarHBondContact O-N 3.45Å; F501-V504 PolarHBondContact O-N 3.22Å; V504-F507 WeakPolarHBondContact O-CB 3.3Å; V504-F507 PolarHBondContact O-N 2.92Å; V504-I508 HydrophobicContact CG1-CD1 3.95Å; V504-I508 HydrophobicContact CG1-CG1 4.46Å; V504-I508 WeakPolarHBondContact O-CG1 3.11Å; V504-I508 PolarHBondContact O-N 3.32Å
505	G	97	Very high	95.4	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-58.2	-49.1	173.8	0	0	0	0	0	112.8	F501 R502 F503 F507 I508 G509 I620 G623 I624	F501-G505 PolarHBondContact O-N 3.29Å; R502-G505 PolarHBondContact O-N 2.64Å; F503-G505 PolarHBondContact O-N 2.83Å; G505-F507 VanDerWaalsContact C-N 3.32Å; G505-F507 PolarHBondContact O-N 3.43Å; G505-I508 PolarHBondContact O-N 3.37Å; G505-G509 PolarHBondContact O-N 3.16Å; G505-I620 VanDerWaalsContact CA-O 3.23Å; G505-I620 WeakPolarHBondContact CA-O 3.47Å; G505-G623 CarbonylContact O-C 3.53Å; G505-I624 VanDerWaalsContact C-N 3.29Å; G505-I624 VanDerWaalsContact O-CA 3.25Å; G505-I624 WeakPolarHBondContact O-CA 3.25Å; G505-I624 VanDerWaalsContact O-CG1 3.22Å; G505-I624 WeakPolarHBondContact O-CG1 3.47Å; G505-I624 PolarHBondContact O-N 3.04Å
506	R	97.8	Very high	95.3	Very high	20 Å²	20	22.7 Å²	22.7	8%	0.075	12%	0.117	C	C	.	.	H	α-helix	trans	-59.6	-43.3	175.9	-74.5	-179.6	170.5	-159.7	-0.6	111.8	V429 S430 M432 L437 R502 F503 G509 M510 G623 E626	V429-R506 HydrophobicContact CG1-CB 4.05Å; V429-R506 PolarHBondContact O-NH1 3.04Å; S430-R506 PolarHBondContact O-NH1 3.5Å; M432-R506 PolarHBondContact O-NH1 3.04Å; L437-R506 HydrophobicContact CD1-CB 4.24Å; L437-R506 HydrophobicContact CD1-CG 4.11Å; R502-R506 PolarHBondContact O-N 2.68Å; F503-R506 WeakPolarHBondContact O-CB 3.44Å; F503-R506 PolarHBondContact O-N 3.36Å; F503-R506 VanDerWaalsContact O-N 3.11Å; R506-G509 PolarHBondContact O-N 3Å; R506-M510 WeakPolarHBondContact O-CB 3.4Å; R506-M510 WeakPolarHBondContact O-CG 3.48Å; R506-M510 PolarHBondContact O-N 2.94Å; R506-G623 WeakPolarHBondContact CA-O 3.46Å; R506-G623 PolarHBondContact N-O 3.42Å; R506-E626 IonicContact CZ-OE2 2.69Å; R506-E626 IonicContact NE-OE2 2.78Å; R506-E626 PolarHBondContact NE-OE2 2.78Å; R506-E626 IonicContact NH2-OE2 3.52Å; R506-E626 PolarHBondContact NH2-OE2 3.13Å
507	F	96.8	Very high	95	Very high	3 Å²	3	19.2 Å²	19.2	1%	0.013	10%	0.1	C	C	.	.	H	α-helix	trans	-60.6	-48.1	178.4	171.3	-103.7	0	0	0	112	W460 F461 L464 I468 F503 V504 G505 G509 M510 A511 I518	W460-F507 HydrophobicContact CE3-CE2 4.49Å; W460-F507 AromaticContact CH2-CD2 3.95Å; W460-F507 HydrophobicContact CH2-CD2 3.95Å; W460-F507 HydrophobicContact CH2-CE2 4.24Å; W460-F507 HydrophobicContact CZ3-CD2 4.13Å; W460-F507 HydrophobicContact CZ3-CE2 4.06Å; F461-F507 HydrophobicContact CD1-CD2 4.06Å; F461-F507 AromaticContact CD1-CE2 3.34Å; F461-F507 HydrophobicContact CD1-CE2 3.34Å; F461-F507 AromaticContact CD1-CZ 3.75Å; F461-F507 HydrophobicContact CD1-CZ 3.75Å; F461-F507 HydrophobicContact CE1-CD2 4.08Å; F461-F507 AromaticContact CE1-CE2 3.84Å; F461-F507 HydrophobicContact CE1-CE2 3.84Å; F461-F507 HydrophobicContact CG-CE2 4.21Å; F461-F507 WeakPolarHBondContact O-CZ 3.4Å; L464-F507 HydrophobicContact CB-CE2 4.12Å; L464-F507 HydrophobicContact CB-CZ 4.33Å; L464-F507 HydrophobicContact CD2-CD2 3.62Å; L464-F507 HydrophobicContact CD2-CE2 3.58Å; L464-F507 HydrophobicContact CD2-CG 4.48Å; L464-F507 HydrophobicContact CD2-CZ 4.43Å; L464-F507 HydrophobicContact CG-CD2 4.3Å; L464-F507 HydrophobicContact CG-CE2 3.97Å; L464-F507 HydrophobicContact CG-CZ 4.34Å; I468-F507 HydrophobicContact CD1-CB 4.41Å; I468-F507 HydrophobicContact CD1-CD1 3.76Å; I468-F507 HydrophobicContact CD1-CE1 4.12Å; I468-F507 HydrophobicContact CD1-CG 3.97Å; F503-F507 WeakPolarHBondContact O-CB 3.25Å; F503-F507 PolarHBondContact O-N 3.5Å; V504-F507 WeakPolarHBondContact O-CB 3.3Å; V504-F507 PolarHBondContact O-N 2.92Å; G505-F507 VanDerWaalsContact C-N 3.32Å; G505-F507 PolarHBondContact O-N 3.43Å; F507-G509 PolarHBondContact O-N 3.47Å; F507-M510 WeakPolarHBondContact O-CB 3.26Å; F507-M510 PolarHBondContact O-N 3.11Å; F507-A511 PolarHBondContact O-N 2.82Å; F507-I518 HydrophobicContact CE1-CB 4.41Å; F507-I518 HydrophobicContact CE1-CD1 4.32Å; F507-I518 HydrophobicContact CE1-CG2 3.66Å; F507-I518 HydrophobicContact CZ-CG2 3.59Å
508	I	95.9	Very high	94.6	Very high	4 Å²	4	18.2 Å²	18.2	2%	0.021	10%	0.096	C	C	.	.	H	α-helix	trans	-61.3	-44.6	174.1	-68.8	171.2	0	0	0	110.6	V504 G505 M510 A511 L512 I518 F526 I624 L645	V504-I508 HydrophobicContact CG1-CD1 3.95Å; V504-I508 HydrophobicContact CG1-CG1 4.46Å; V504-I508 WeakPolarHBondContact O-CG1 3.11Å; V504-I508 PolarHBondContact O-N 3.32Å; G505-I508 PolarHBondContact O-N 3.37Å; I508-M510 VanDerWaalsContact C-N 3.31Å; I508-M510 PolarHBondContact O-N 2.95Å; I508-A511 WeakPolarHBondContact O-CB 3.43Å; I508-A511 PolarHBondContact O-N 3.31Å; I508-L512 HydrophobicContact CG2-CD1 4.11Å; I508-L512 WeakPolarHBondContact O-CG 3.46Å; I508-L512 PolarHBondContact O-N 2.95Å; I508-I518 HydrophobicContact CG1-CD1 4.29Å; I508-F526 HydrophobicContact CD1-CE1 4.19Å; I508-F526 HydrophobicContact CD1-CZ 4.41Å; I508-I624 HydrophobicContact CB-CD1 4.44Å; I508-I624 HydrophobicContact CB-CG1 4.2Å; I508-I624 HydrophobicContact CG2-CD1 4.02Å; I508-I624 HydrophobicContact CG2-CG1 4.13Å; I508-L645 HydrophobicContact CG2-CD1 4.22Å; I508-L645 HydrophobicContact CG2-CD2 4Å
509	G	96.6	Very high	93.8	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-58.7	-41.2	176	0	0	0	0	0	112.7	G505 R506 F507 F513	G505-G509 PolarHBondContact O-N 3.16Å; R506-G509 PolarHBondContact O-N 3Å; F507-G509 PolarHBondContact O-N 3.47Å; G509-F513 VanDerWaalsContact O-CB 3.26Å; G509-F513 WeakPolarHBondContact O-CB 3.15Å; G509-F513 PolarHBondContact O-N 3.26Å
510	M	96.5	Very high	92.4	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-66.5	-42.6	174.5	-71.5	168.1	67.5	0	0	112.1	V429 L437 L441 W460 F461 R506 F507 I508 L512 F513 H514 V627	V429-M510 HydrophobicContact CG1-SD 3.88Å; V429-M510 HydrophobicContact CG2-SD 4.4Å; L437-M510 HydrophobicContact CB-CG 4.18Å; L437-M510 HydrophobicContact CD1-SD 4.41Å; L437-M510 HydrophobicContact CD2-CE 4.28Å; L437-M510 HydrophobicContact CD2-CG 4.47Å; L437-M510 HydrophobicContact CD2-SD 3.74Å; L437-M510 HydrophobicContact CG-SD 4.43Å; L441-M510 HydrophobicContact CD1-CE 3.79Å; L441-M510 HydrophobicContact CD2-CE 3.81Å; L441-M510 HydrophobicContact CG-CE 4.47Å; W460-M510 HydrophobicContact CH2-CE 3.92Å; W460-M510 HydrophobicContact CZ3-CE 4.12Å; F461-M510 HydrophobicContact CE1-CB 4.07Å; F461-M510 HydrophobicContact CZ-CB 3.94Å; R506-M510 WeakPolarHBondContact O-CB 3.4Å; R506-M510 WeakPolarHBondContact O-CG 3.48Å; R506-M510 PolarHBondContact O-N 2.94Å; F507-M510 WeakPolarHBondContact O-CB 3.26Å; F507-M510 PolarHBondContact O-N 3.11Å; I508-M510 VanDerWaalsContact C-N 3.31Å; I508-M510 PolarHBondContact O-N 2.95Å; M510-L512 PolarHBondContact O-N 3.35Å; M510-F513 PolarHBondContact O-N 2.84Å; M510-H514 WeakPolarHBondContact O-CB 3.28Å; M510-H514 PolarHBondContact O-CD2 3.45Å; M510-H514 VanDerWaalsContact O-CD2 3.23Å; M510-H514 PolarHBondContact O-N 2.61Å; M510-V627 HydrophobicContact CG-CG1 4.43Å; M510-V627 HydrophobicContact CG-CG2 4.26Å
511	A	94.4	Very high	91	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-58.8	-49.7	178.7	0	0	0	0	0	110.7	F461 F507 I508 G515 R516 I518 L645	F461-A511 HydrophobicContact CD1-CB 3.77Å; F461-A511 VanDerWaalsContact CE1-CA 3.42Å; F461-A511 HydrophobicContact CE1-CB 3.61Å; F507-A511 PolarHBondContact O-N 2.82Å; I508-A511 WeakPolarHBondContact O-CB 3.43Å; I508-A511 PolarHBondContact O-N 3.31Å; A511-G515 PolarHBondContact O-N 3.39Å; A511-R516 CarbonylContact C-O 3.54Å; A511-R516 PolarHBondContact O-N 3.15Å; A511-I518 HydrophobicContact CB-CG2 3.79Å; A511-L645 HydrophobicContact CB-CD1 3.91Å
512	L	94.1	Very high	90.2	Very high	2 Å²	2	18.7 Å²	18.7	1%	0.01	11%	0.107	C	C	.	.	H	α-helix	trans	-60.2	-50	175.1	-71.1	171.4	0	0	0	111.8	F399 R400 I508 M510 H514 G515 L628 L633 L641 L644 L645	F399-L512 WeakPolarHBondContact CE1-O 3.22Å; F399-L512 HydrophobicContact CZ-CB 4.1Å; R400-L512 PolarHBondContact NH1-O 2.89Å; I508-L512 HydrophobicContact CG2-CD1 4.11Å; I508-L512 WeakPolarHBondContact O-CG 3.46Å; I508-L512 PolarHBondContact O-N 2.95Å; M510-L512 PolarHBondContact O-N 3.35Å; L512-H514 PolarHBondContact O-N 3.45Å; L512-G515 PolarHBondContact O-N 3.41Å; L512-L628 HydrophobicContact CB-CD1 3.82Å; L512-L628 HydrophobicContact CD1-CD1 3.7Å; L512-L628 HydrophobicContact CG-CD1 4.42Å; L512-L633 HydrophobicContact CD1-CD1 4.15Å; L512-L633 HydrophobicContact CD1-CD2 4.33Å; L512-L641 HydrophobicContact CD1-CD1 4.21Å; L512-L641 HydrophobicContact CD2-CD1 4.11Å; L512-L644 HydrophobicContact CD2-CB 4.48Å; L512-L644 HydrophobicContact CD2-CD2 3.89Å; L512-L644 HydrophobicContact CD2-CG 3.85Å; L512-L645 HydrophobicContact CD2-CB 4.22Å; L512-L645 HydrophobicContact CD2-CD1 4.03Å; L512-L645 HydrophobicContact CG-CD1 3.99Å
513	F	95.4	Very high	89.1	Confident	10 Å²	10	14.6 Å²	14.6	4%	0.044	9%	0.093	C	C	.	.	H	α-helix	trans	-59.5	-49.1	-177.8	-172.9	-92.5	0	0	0	112.6	C403 A406 M407 R438 G509 M510 G515 V627 L628 W632	C403-F513 HydrophobicContact CB-CD2 4.03Å; C403-F513 HydrophobicContact CB-CE2 4.1Å; C403-F513 HydrophobicContact CB-CG 4.49Å; C403-F513 WeakPolarHBondContact O-CZ 3.26Å; A406-F513 HydrophobicContact CB-CE2 3.99Å; A406-F513 HydrophobicContact CB-CZ 4.32Å; M407-F513 HydrophobicContact CB-CE1 4.44Å; M407-F513 HydrophobicContact CB-CZ 4.3Å; R438-F513 HydrophobicContact CB-CE1 3.91Å; R438-F513 HydrophobicContact CB-CE2 4.3Å; R438-F513 HydrophobicContact CB-CZ 3.68Å; R438-F513 HydrophobicContact CG-CD2 4.4Å; R438-F513 HydrophobicContact CG-CE1 4.21Å; R438-F513 HydrophobicContact CG-CE2 3.9Å; R438-F513 HydrophobicContact CG-CZ 3.79Å; G509-F513 VanDerWaalsContact O-CB 3.26Å; G509-F513 WeakPolarHBondContact O-CB 3.15Å; G509-F513 PolarHBondContact O-N 3.26Å; M510-F513 PolarHBondContact O-N 2.84Å; F513-G515 VanDerWaalsContact C-N 3.32Å; F513-G515 PolarHBondContact O-N 2.9Å; F513-V627 HydrophobicContact CB-CG1 4Å; F513-V627 HydrophobicContact CG-CG1 4.32Å; F513-L628 HydrophobicContact CB-CD2 3.82Å; F513-L628 HydrophobicContact CD2-CD2 3.91Å; F513-L628 HydrophobicContact CG-CD2 4.38Å; F513-W632 HydrophobicContact CD2-CZ3 4.27Å; F513-W632 HydrophobicContact CE2-CZ3 4.25Å
514	H	92.4	Very high	88	Confident	36 Å²	36	17.1 Å²	17.1	17%	0.167	11%	0.107	C	C	.	.	H	α-helix	trans	-85.6	-2.3	-176.2	-67.5	-70.3	0	0	0	113.9	L437 R439 M510 L512 R516	L437-H514 PolarHBondContact O-NE2 2.8Å; R439-H514 PolarHBondContact O-CE1 3.18Å; M510-H514 WeakPolarHBondContact O-CB 3.28Å; M510-H514 PolarHBondContact O-CD2 3.45Å; M510-H514 VanDerWaalsContact O-CD2 3.23Å; M510-H514 PolarHBondContact O-N 2.61Å; L512-H514 PolarHBondContact O-N 3.45Å; H514-R516 HydrophobicContact CB-CG 4.08Å
515	G	88.9	Confident	87.3	Confident	25 Å²	25	17.3 Å²	17.3	26%	0.258	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.9	44.8	-179.7	0	0	0	0	0	113.3	R400 A511 L512 F513	R400-G515 VanDerWaalsContact CZ-CA 3.42Å; A511-G515 PolarHBondContact O-N 3.39Å; L512-G515 PolarHBondContact O-N 3.41Å; F513-G515 VanDerWaalsContact C-N 3.32Å; F513-G515 PolarHBondContact O-N 2.9Å
516	R	88.4	Confident	86.9	Confident	43 Å²	43	17.5 Å²	17.5	16%	0.162	11%	0.109	C	C	.	.			trans	-108.1	134	175.9	-55.1	-57	-171.8	-153.9	3.7	108.5	F461 A511 H514	F461-R516 HydrophobicContact CB-CB 4.19Å; F461-R516 HydrophobicContact CD1-CB 4.17Å; F461-R516 HydrophobicContact CD2-CB 3.45Å; F461-R516 VanDerWaalsContact CD2-CB 3.45Å; F461-R516 HydrophobicContact CD2-CG 3.46Å; F461-R516 VanDerWaalsContact CD2-CG 3.46Å; F461-R516 HydrophobicContact CE1-CB 4.45Å; F461-R516 HydrophobicContact CE2-CB 3.79Å; F461-R516 HydrophobicContact CE2-CG 3.47Å; F461-R516 VanDerWaalsContact CE2-CG 3.47Å; F461-R516 HydrophobicContact CG-CB 3.68Å; F461-R516 HydrophobicContact CG-CG 4.22Å; F461-R516 HydrophobicContact CZ-CB 4.26Å; F461-R516 HydrophobicContact CZ-CG 4.2Å; A511-R516 CarbonylContact C-O 3.54Å; A511-R516 PolarHBondContact O-N 3.15Å; H514-R516 HydrophobicContact CB-CG 4.08Å
517	C	85.7	Confident	86.4	Confident	24 Å²	24	16.6 Å²	16.6	16%	0.162	11%	0.106	C	C	.	.			trans	-82.4	149.5	173.6	-58.5	0	0	0	0	109.2	L645 H699	C517-L645 CarbonylContact C-O 3.32Å; C517-L645 WeakPolarHBondContact CA-O 3.4Å; C517-H699 HydrophobicContact CB-CB 3.42Å; C517-H699 VanDerWaalsContact CB-CB 3.42Å
518	I	88	Confident	86	Confident	3 Å²	3	17.4 Å²	17.4	2%	0.015	11%	0.11	C	C	.	.			trans	-117.5	148.6	171.3	60.7	167.8	0	0	0	109.4	F461 F507 I508 A511 L645	F461-I518 HydrophobicContact CB-CG2 4.36Å; F461-I518 HydrophobicContact CD1-CG2 4.07Å; F507-I518 HydrophobicContact CE1-CB 4.41Å; F507-I518 HydrophobicContact CE1-CD1 4.32Å; F507-I518 HydrophobicContact CE1-CG2 3.66Å; F507-I518 HydrophobicContact CZ-CG2 3.59Å; I508-I518 HydrophobicContact CG1-CD1 4.29Å; A511-I518 HydrophobicContact CB-CG2 3.79Å; I518-L645 HydrophobicContact CD1-CD1 3.85Å; I518-L645 HydrophobicContact CD1-CD2 3.72Å; I518-L645 HydrophobicContact CD1-CG 3.74Å; I518-L645 HydrophobicContact CG1-CD1 3.78Å; I518-L645 HydrophobicContact CG1-CD2 4.16Å; I518-L645 HydrophobicContact CG1-CG 3.62Å; I518-L645 PolarHBondContact N-O 3.45Å
519	D	80	Confident	85.7	Confident	50 Å²	50	18.9 Å²	18.9	27%	0.267	12%	0.116	S	C	.	.			trans	-92	113.7	174.4	-172.4	16.5	0	0	0	108.4	Y462 S465 R466	Y462-D519 HydrophobicContact CD2-CB 3.65Å; Y462-D519 HydrophobicContact CE2-CB 3.51Å; Y462-D519 VanDerWaalsContact CE2-OD2 3.31Å; Y462-D519 WeakPolarHBondContact CE2-OD2 3.17Å; S465-D519 WeakPolarHBondContact CB-O 3.25Å; S465-D519 PolarHBondContact OG-N 3.29Å; S465-D519 PolarHBondContact OG-O 2.9Å; R466-D519 HydrophobicContact CG-CB 4.25Å; R466-D519 IonicContact NH1-OD2 3.13Å
520	G	66.3	Low	85.4	Confident	14 Å²	14	19.2 Å²	19.2	14%	0.144	12%	0.118	C	C	.	.			trans	-167.7	123.7	-176.6	0	0	0	0	0	113.3	L522	G520-L522 PolarHBondContact O-N 3.14Å
521	G	68.5	Low	85	Confident	45 Å²	45	20.6 Å²	20.6	46%	0.464	13%	0.125	S	C	.	.			trans	-81.5	50.6	174.8	0	0	0	0	0	113	A484 L485	A484-G521 CarbonylContact C-O 3.53Å; A484-G521 VanDerWaalsContact CA-O 3.29Å; A484-G521 WeakPolarHBondContact CA-O 3.38Å; L485-G521 PolarHBondContact N-O 2.9Å
522	L	80.3	Confident	84.8	Confident	7 Å²	7	27.8 Å²	27.8	4%	0.037	16%	0.157	C	C	.	.	B	Isolated β-bridge	trans	-72.7	144.7	179.9	-66.3	166.8	0	0	0	111.1	L469 F476 L485 G520 F526 Y527	L469-L522 HydrophobicContact CD2-CD2 3.84Å; L469-L522 HydrophobicContact CD2-CG 4.46Å; F476-L522 HydrophobicContact CD1-CD2 4.4Å; F476-L522 HydrophobicContact CE1-CD2 4.09Å; L485-L522 HydrophobicContact CB-CD2 4.34Å; G520-L522 PolarHBondContact O-N 3.14Å; L522-F526 HydrophobicContact CB-CD1 4.06Å; L522-F526 HydrophobicContact CD1-CD1 3.8Å; L522-F526 HydrophobicContact CD1-CE1 3.67Å; L522-F526 HydrophobicContact CD2-CD1 4.01Å; L522-F526 HydrophobicContact CD2-CE1 4.08Å; L522-F526 HydrophobicContact CD2-CG 4.33Å; L522-F526 HydrophobicContact CD2-CZ 4.48Å; L522-F526 HydrophobicContact CG-CD1 4.18Å; L522-F526 HydrophobicContact CG-CE1 4.37Å; L522-Y527 HydrophobicContact CB-CE2 4.06Å
523	T	75.1	Confident	84.4	Confident	16 Å²	16	32.2 Å²	32.2	10%	0.098	17%	0.173	C	C	.	.			trans	-70.3	152.4	179.1	63.8	0	0	0	0	113.3	T479 A484 L485 A525 F526 Y527 T543	T479-T523 HydrophobicContact CG2-CG2 3.67Å; A484-T523 HydrophobicContact CB-CG2 3.68Å; L485-T523 PolarHBondContact O-N 3.47Å; T523-A525 PolarHBondContact O-N 2.93Å; T523-F526 WeakPolarHBondContact O-CA 3.4Å; T523-F526 VanDerWaalsContact O-CB 3.26Å; T523-F526 WeakPolarHBondContact O-CB 2.96Å; T523-F526 PolarHBondContact O-N 2.93Å; T523-F526 PolarHBondContact OG1-N 3.32Å; T523-F526 VanDerWaalsContact OG1-N 3.12Å; T523-Y527 VanDerWaalsContact O-CD2 3.25Å; T523-Y527 WeakPolarHBondContact O-CD2 3.42Å; T523-Y527 PolarHBondContact O-N 3Å; T523-T543 HydrophobicContact CG2-CG2 4.06Å
524	L	73.1	Confident	84	Confident	55 Å²	55	39.5 Å²	39.5	29%	0.288	21%	0.205	S	C	.	.	H	α-helix	trans	-55.3	-32.5	167.1	-72.5	-179.6	0	0	0	113	F526 Y527 K528 E638 R639 E642	L524-F526 VanDerWaalsContact C-N 3.3Å; L524-F526 PolarHBondContact O-N 2.84Å; L524-Y527 HydrophobicContact CD2-CD2 4.35Å; L524-Y527 PolarHBondContact O-N 3.04Å; L524-K528 PolarHBondContact O-N 3.27Å; L524-E638 HydrophobicContact CD2-CG 4.43Å; L524-R639 HydrophobicContact CD1-CG 4.34Å; L524-R639 HydrophobicContact CD2-CG 4Å; L524-E642 VanDerWaalsContact CD2-OE2 3.29Å; L524-E642 WeakPolarHBondContact CD2-OE2 3.5Å
525	A	81.7	Confident	83.7	Confident	6 Å²	6	39 Å²	39	5%	0.05	20%	0.203	C	C	.	.	H	α-helix	trans	-61	-39	173.4	0	0	0	0	0	111.9	T523 K528 Q529 L535 T543 F609	T523-A525 PolarHBondContact O-N 2.93Å; A525-K528 WeakPolarHBondContact O-CB 3.4Å; A525-K528 PolarHBondContact O-N 2.99Å; A525-Q529 WeakPolarHBondContact O-CG 3.19Å; A525-Q529 PolarHBondContact O-N 3.49Å; A525-L535 HydrophobicContact CB-CD2 3.7Å; A525-T543 HydrophobicContact CB-CG2 4.08Å; A525-F609 HydrophobicContact CB-CD1 4.34Å; A525-F609 HydrophobicContact CB-CE1 3.64Å; A525-F609 HydrophobicContact CB-CZ 4.21Å
526	F	88.6	Confident	83.4	Confident	4 Å²	4	40 Å²	40	2%	0.018	21%	0.205	C	C	.	.	H	α-helix	trans	-64.2	-42.1	175.2	-174.8	-98.7	0	0	0	112	F476 V487 I508 L522 T523 L524 Q529 I530 I620	F476-F526 HydrophobicContact CE1-CE2 4.24Å; F476-F526 HydrophobicContact CE1-CZ 4.45Å; V487-F526 HydrophobicContact CG2-CD2 4.32Å; V487-F526 HydrophobicContact CG2-CE2 3.93Å; I508-F526 HydrophobicContact CD1-CE1 4.19Å; I508-F526 HydrophobicContact CD1-CZ 4.41Å; L522-F526 HydrophobicContact CB-CD1 4.06Å; L522-F526 HydrophobicContact CD1-CD1 3.8Å; L522-F526 HydrophobicContact CD1-CE1 3.67Å; L522-F526 HydrophobicContact CD2-CD1 4.01Å; L522-F526 HydrophobicContact CD2-CE1 4.08Å; L522-F526 HydrophobicContact CD2-CG 4.33Å; L522-F526 HydrophobicContact CD2-CZ 4.48Å; L522-F526 HydrophobicContact CG-CD1 4.18Å; L522-F526 HydrophobicContact CG-CE1 4.37Å; T523-F526 WeakPolarHBondContact O-CA 3.4Å; T523-F526 VanDerWaalsContact O-CB 3.26Å; T523-F526 WeakPolarHBondContact O-CB 2.96Å; T523-F526 PolarHBondContact O-N 2.93Å; T523-F526 PolarHBondContact OG1-N 3.32Å; T523-F526 VanDerWaalsContact OG1-N 3.12Å; L524-F526 VanDerWaalsContact C-N 3.3Å; L524-F526 PolarHBondContact O-N 2.84Å; F526-Q529 WeakPolarHBondContact O-CB 3.49Å; F526-Q529 PolarHBondContact O-N 3.41Å; F526-Q529 VanDerWaalsContact O-N 3.15Å; F526-I530 HydrophobicContact CD1-CD1 3.93Å; F526-I530 HydrophobicContact CD1-CG1 4.46Å; F526-I530 HydrophobicContact CE1-CD1 3.63Å; F526-I530 HydrophobicContact CE1-CG1 4.24Å; F526-I530 HydrophobicContact CZ-CD1 4.45Å; F526-I530 PolarHBondContact O-N 2.75Å; F526-I620 HydrophobicContact CE2-CD1 3.78Å; F526-I620 HydrophobicContact CZ-CD1 3.93Å; F526-I620 HydrophobicContact CZ-CG2 4.22Å
527	Y	87.9	Confident	83.2	Confident	1 Å²	1	38.9 Å²	38.9	0%	0.004	20%	0.201	C	C	.	.	H	α-helix	trans	-65	-39	174.5	-65.1	-69.3	0	0	0	112.5	L522 T523 L524 Q529 I530 L531 E638 L641 E642 L645 S646	L522-Y527 HydrophobicContact CB-CE2 4.06Å; T523-Y527 VanDerWaalsContact O-CD2 3.25Å; T523-Y527 WeakPolarHBondContact O-CD2 3.42Å; T523-Y527 PolarHBondContact O-N 3Å; L524-Y527 HydrophobicContact CD2-CD2 4.35Å; L524-Y527 PolarHBondContact O-N 3.04Å; Y527-Q529 VanDerWaalsContact C-N 3.3Å; Y527-Q529 PolarHBondContact O-N 3.25Å; Y527-I530 HydrophobicContact CD1-CD1 4.36Å; Y527-I530 PolarHBondContact O-N 2.98Å; Y527-L531 WeakPolarHBondContact O-CG 3.19Å; Y527-L531 PolarHBondContact O-N 2.93Å; Y527-E638 WeakPolarHBondContact CB-O 3.23Å; Y527-L641 HydrophobicContact CD1-CB 4.46Å; Y527-L641 HydrophobicContact CD1-CD2 3.98Å; Y527-L641 HydrophobicContact CD1-CG 3.93Å; Y527-E642 HydrophobicContact CD1-CB 4.49Å; Y527-E642 HydrophobicContact CD2-CB 3.85Å; Y527-E642 HydrophobicContact CD2-CG 4.33Å; Y527-E642 HydrophobicContact CE1-CB 4.25Å; Y527-E642 HydrophobicContact CE2-CB 3.58Å; Y527-E642 HydrophobicContact CE2-CG 3.63Å; Y527-E642 HydrophobicContact CG-CB 4.31Å; Y527-L645 HydrophobicContact CE1-CB 4.46Å; Y527-L645 HydrophobicContact CE1-CD2 3.79Å; Y527-S646 PolarHBondContact OH-OG 3.27Å
528	K	87.4	Confident	82.7	Confident	21 Å²	21	42.5 Å²	42.5	9%	0.091	22%	0.216	C	C	.	.	H	α-helix	trans	-59.1	-41	170.4	-77.9	-174.9	172	178.8	0	111.9	L524 A525 L531 K532 R533 L535 D539 E638	L524-K528 PolarHBondContact O-N 3.27Å; A525-K528 WeakPolarHBondContact O-CB 3.4Å; A525-K528 PolarHBondContact O-N 2.99Å; K528-L531 CarbonylContact O-C 3.56Å; K528-L531 PolarHBondContact O-N 3.28Å; K528-K532 PolarHBondContact O-N 3.43Å; K528-R533 HydrophobicContact CB-CB 4.12Å; K528-R533 HydrophobicContact CG-CB 4.25Å; K528-R533 PolarHBondContact O-N 2.93Å; K528-L535 HydrophobicContact CB-CD2 3.78Å; K528-L535 HydrophobicContact CD-CD2 3.94Å; K528-L535 HydrophobicContact CG-CD2 4.48Å; K528-D539 WeakPolarHBondContact CD-OD2 3.26Å; K528-D539 IonicContact NZ-OD1 2.92Å; K528-D539 PolarHBondContact NZ-OD1 3Å; K528-D539 IonicContact NZ-OD2 2.72Å; K528-D539 PolarHBondContact NZ-OD2 2.69Å; K528-E638 HydrophobicContact CD-CG 4.34Å; K528-E638 WeakPolarHBondContact CE-OE1 3.27Å; K528-E638 HydrophobicContact CG-CB 3.64Å; K528-E638 HydrophobicContact CG-CG 3.7Å; K528-E638 IonicContact NZ-OE1 2.64Å
529	Q	90.3	Very high	82.2	Confident	34 Å²	34	43.1 Å²	43.1	16%	0.159	22%	0.219	C	C	.	.	H	α-helix	trans	-63.4	-42.2	176	-72.9	176	-27.5	0	0	112.2	A525 F526 Y527 L531 K532 L535 F609 T617	A525-Q529 WeakPolarHBondContact O-CG 3.19Å; A525-Q529 PolarHBondContact O-N 3.49Å; F526-Q529 WeakPolarHBondContact O-CB 3.49Å; F526-Q529 PolarHBondContact O-N 3.41Å; F526-Q529 VanDerWaalsContact O-N 3.15Å; Y527-Q529 VanDerWaalsContact C-N 3.3Å; Y527-Q529 PolarHBondContact O-N 3.25Å; Q529-L531 VanDerWaalsContact C-N 3.28Å; Q529-L531 PolarHBondContact O-N 3.17Å; Q529-K532 PolarHBondContact O-N 2.94Å; Q529-L535 HydrophobicContact CG-CD1 3.85Å; Q529-F609 PolarHBondContact NE2-O 2.97Å; Q529-T617 HydrophobicContact CB-CG2 4.15Å
530	I	90.6	Very high	82.3	Confident	8 Å²	8	40.7 Å²	40.7	4%	0.041	21%	0.207	C	C	.	.	H	α-helix	trans	-57.4	-44.4	173.6	-67.2	171.9	0	0	0	110.7	F526 Y527 K532 I624 L633 L641	F526-I530 HydrophobicContact CD1-CD1 3.93Å; F526-I530 HydrophobicContact CD1-CG1 4.46Å; F526-I530 HydrophobicContact CE1-CD1 3.63Å; F526-I530 HydrophobicContact CE1-CG1 4.24Å; F526-I530 HydrophobicContact CZ-CD1 4.45Å; F526-I530 PolarHBondContact O-N 2.75Å; Y527-I530 HydrophobicContact CD1-CD1 4.36Å; Y527-I530 PolarHBondContact O-N 2.98Å; I530-K532 PolarHBondContact O-N 3.43Å; I530-I624 HydrophobicContact CB-CD1 4.43Å; I530-I624 HydrophobicContact CD1-CD1 3.98Å; I530-I624 HydrophobicContact CG1-CD1 3.84Å; I530-I624 HydrophobicContact CG2-CD1 3.81Å; I530-L633 HydrophobicContact CG2-CD1 4.45Å; I530-L641 HydrophobicContact CB-CD2 4.12Å; I530-L641 HydrophobicContact CG2-CD2 3.86Å
531	L	88.3	Confident	82.4	Confident	29 Å²	29	40.7 Å²	40.7	15%	0.152	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	2	178.7	-63.5	174	0	0	0	113.7	Y527 K528 Q529 R533 L633 F636 D637 E638 L641	Y527-L531 WeakPolarHBondContact O-CG 3.19Å; Y527-L531 PolarHBondContact O-N 2.93Å; K528-L531 CarbonylContact O-C 3.56Å; K528-L531 PolarHBondContact O-N 3.28Å; Q529-L531 VanDerWaalsContact C-N 3.28Å; Q529-L531 PolarHBondContact O-N 3.17Å; L531-R533 HydrophobicContact CB-CG 3.84Å; L531-R533 PolarHBondContact O-N 3.38Å; L531-L633 HydrophobicContact CD2-CB 4.02Å; L531-L633 WeakPolarHBondContact CD2-O 3.42Å; L531-F636 WeakPolarHBondContact CD1-O 3.16Å; L531-D637 VanDerWaalsContact CD1-C 3.46Å; L531-E638 HydrophobicContact CD1-CB 4.41Å; L531-L641 HydrophobicContact CD1-CB 4.33Å; L531-L641 HydrophobicContact CD1-CD2 4.12Å; L531-L641 HydrophobicContact CD2-CD2 3.9Å; L531-L641 HydrophobicContact CG-CD2 3.74Å
532	K	89.1	Confident	82	Confident	151 Å²	151	45.7 Å²	45.7	66%	0.657	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.9	34.8	-174.6	-69.6	171.5	151.3	160.9	0	113.8	K528 Q529 I530 H621	K528-K532 PolarHBondContact O-N 3.43Å; Q529-K532 PolarHBondContact O-N 2.94Å; I530-K532 PolarHBondContact O-N 3.43Å; K532-H621 WeakPolarHBondContact CE-NE2 3.33Å; K532-H621 PolarHBondContact NZ-CE1 3.15Å; K532-H621 PolarHBondContact NZ-NE2 3.33Å
533	R	85.3	Confident	81.3	Confident	94 Å²	94	45.6 Å²	45.6	36%	0.355	22%	0.217	S	C	.	.	P	Polyproline II helix	trans	-85.4	149.3	177.4	-68.1	178.2	174.1	-148.6	-4.7	110.7	K528 L531 L535 F636 D637 E638	K528-R533 HydrophobicContact CB-CB 4.12Å; K528-R533 HydrophobicContact CG-CB 4.25Å; K528-R533 PolarHBondContact O-N 2.93Å; L531-R533 HydrophobicContact CB-CG 3.84Å; L531-R533 PolarHBondContact O-N 3.38Å; R533-L535 PolarHBondContact O-N 3.3Å; R533-F636 PolarHBondContact NH2-O 2.94Å; R533-D637 VanDerWaalsContact CZ-CA 3.46Å; R533-D637 VanDerWaalsContact NH1-CA 3.28Å; R533-E638 IonicContact CZ-OE2 2.96Å; R533-E638 IonicContact NE-OE2 3.96Å; R533-E638 IonicContact NH1-OE2 3.27Å; R533-E638 PolarHBondContact NH1-OE2 3.26Å
534	K	87.9	Confident	81.4	Confident	164 Å²	164	46.1 Å²	46.1	71%	0.713	22%	0.219	S	C	*	.	P	Polyproline II helix	trans	-66.2	126.9	175.8	-175.5	178.6	178	-175.5	0	109.8
535	L	87	Confident	81.4	Confident	24 Å²	24	46.8 Å²	46.8	13%	0.126	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-79.9	139.6	172	-66.1	162.4	0	0	0	109.8	A525 K528 Q529 R533 D539 F609	A525-L535 HydrophobicContact CB-CD2 3.7Å; K528-L535 HydrophobicContact CB-CD2 3.78Å; K528-L535 HydrophobicContact CD-CD2 3.94Å; K528-L535 HydrophobicContact CG-CD2 4.48Å; Q529-L535 HydrophobicContact CG-CD1 3.85Å; R533-L535 PolarHBondContact O-N 3.3Å; L535-D539 WeakPolarHBondContact CA-OD2 3.46Å; L535-D539 HydrophobicContact CD2-CB 4.35Å; L535-F609 HydrophobicContact CB-CD2 3.58Å; L535-F609 HydrophobicContact CB-CE2 3.74Å; L535-F609 HydrophobicContact CB-CG 4.2Å; L535-F609 HydrophobicContact CB-CZ 4.47Å; L535-F609 HydrophobicContact CD1-CB 3.47Å; L535-F609 VanDerWaalsContact CD1-CB 3.47Å; L535-F609 HydrophobicContact CD1-CD1 3.79Å; L535-F609 HydrophobicContact CD1-CD2 3.72Å; L535-F609 HydrophobicContact CD1-CE1 4.42Å; L535-F609 HydrophobicContact CD1-CE2 4.35Å; L535-F609 HydrophobicContact CD1-CG 3.4Å; L535-F609 HydrophobicContact CD2-CE2 4.5Å; L535-F609 HydrophobicContact CD2-CZ 4.44Å; L535-F609 HydrophobicContact CG-CD2 4.16Å; L535-F609 HydrophobicContact CG-CE2 4.41Å; L535-F609 HydrophobicContact CG-CG 4.29Å
536	T	81.8	Confident	81.2	Confident	48 Å²	48	50.1 Å²	50.1	29%	0.294	24%	0.244	S	C	.	.			trans	-111.5	172	-175.2	77.7	0	0	0	0	112	E538 D539 L540	T536-E538 WeakPolarHBondContact CB-OE2 3.48Å; T536-E538 PolarHBondContact O-N 3.21Å; T536-E538 PolarHBondContact OG1-N 2.81Å; T536-E538 PolarHBondContact OG1-OE2 2.7Å; T536-D539 PolarHBondContact N-OD2 2.79Å; T536-D539 WeakPolarHBondContact O-CB 3.25Å; T536-D539 PolarHBondContact O-N 3.05Å; T536-D539 PolarHBondContact OG1-N 2.63Å; T536-D539 PolarHBondContact OG1-OD2 2.9Å; T536-L540 PolarHBondContact O-N 2.85Å
537	L	85	Confident	81.1	Confident	18 Å²	18	52 Å²	52	9%	0.094	25%	0.251	C	S	.	.	H	α-helix	trans	-63.6	-34.8	175.3	-179.2	59.4	0	0	0	110.9	L540 G541 Y548 L551 I552 I601 V605	L537-L540 HydrophobicContact CD1-CD2 4.38Å; L537-L540 WeakPolarHBondContact O-CB 3.38Å; L537-L540 PolarHBondContact O-N 2.77Å; L537-G541 PolarHBondContact O-N 2.75Å; L537-Y548 HydrophobicContact CD1-CD2 3.82Å; L537-Y548 HydrophobicContact CD1-CE2 4.35Å; L537-Y548 HydrophobicContact CG-CD2 3.84Å; L537-Y548 HydrophobicContact CG-CE2 3.85Å; L537-Y548 WeakPolarHBondContact O-CD2 3.47Å; L537-L551 HydrophobicContact CD1-CB 3.77Å; L537-L551 HydrophobicContact CD1-CD1 3.78Å; L537-L551 HydrophobicContact CD1-CG 4.44Å; L537-I552 HydrophobicContact CD2-CD1 3.67Å; L537-I552 HydrophobicContact CD2-CG1 4.38Å; L537-I552 HydrophobicContact CG-CD1 4.36Å; L537-I601 HydrophobicContact CD2-CG2 4.27Å; L537-V605 HydrophobicContact CB-CG2 4.18Å; L537-V605 HydrophobicContact CD1-CG2 3.85Å
538	E	74.7	Confident	81	Confident	100 Å²	100	54.7 Å²	54.7	47%	0.467	26%	0.261	S	S	.	.	H	α-helix	trans	-64.2	-40.1	176.4	-60.1	71.5	-154.9	0	0	111.6	T536 L540 G541 H542	T536-E538 WeakPolarHBondContact CB-OE2 3.48Å; T536-E538 PolarHBondContact O-N 3.21Å; T536-E538 PolarHBondContact OG1-N 2.81Å; T536-E538 PolarHBondContact OG1-OE2 2.7Å; E538-L540 PolarHBondContact O-N 3.43Å; E538-G541 WeakPolarHBondContact O-CA 3.49Å; E538-G541 PolarHBondContact O-N 3.43Å; E538-H542 PolarHBondContact O-CD2 2.95Å; E538-H542 VanDerWaalsContact O-CD2 3.24Å; E538-H542 PolarHBondContact O-N 3.08Å
539	D	77.8	Confident	81	Confident	16 Å²	16	57.6 Å²	57.6	9%	0.086	28%	0.275	C	S	.	.	H	α-helix	trans	-57.7	-40.3	174.3	-63.8	-40.6	0	0	0	111	K528 L535 T536 G541 H542 T543 F609	K528-D539 WeakPolarHBondContact CD-OD2 3.26Å; K528-D539 IonicContact NZ-OD1 2.92Å; K528-D539 PolarHBondContact NZ-OD1 3Å; K528-D539 IonicContact NZ-OD2 2.72Å; K528-D539 PolarHBondContact NZ-OD2 2.69Å; L535-D539 WeakPolarHBondContact CA-OD2 3.46Å; L535-D539 HydrophobicContact CD2-CB 4.35Å; T536-D539 PolarHBondContact N-OD2 2.79Å; T536-D539 WeakPolarHBondContact O-CB 3.25Å; T536-D539 PolarHBondContact O-N 3.05Å; T536-D539 PolarHBondContact OG1-N 2.63Å; T536-D539 PolarHBondContact OG1-OD2 2.9Å; D539-G541 PolarHBondContact O-N 3.17Å; D539-H542 PolarHBondContact O-N 2.7Å; D539-H542 VanDerWaalsContact O-N 3.17Å; D539-T543 PolarHBondContact O-N 3.48Å; D539-F609 HydrophobicContact CB-CE2 4.19Å; D539-F609 HydrophobicContact CB-CZ 3.83Å
540	L	81.9	Confident	81.1	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-65.3	-31	177.3	-173.1	60.3	0	0	0	112	T536 L537 E538 H542 T543 D544 Y547 L551 V605 R608 F609	T536-L540 PolarHBondContact O-N 2.85Å; L537-L540 HydrophobicContact CD1-CD2 4.38Å; L537-L540 WeakPolarHBondContact O-CB 3.38Å; L537-L540 PolarHBondContact O-N 2.77Å; E538-L540 PolarHBondContact O-N 3.43Å; L540-H542 PolarHBondContact O-N 3.08Å; L540-T543 PolarHBondContact O-N 3.39Å; L540-T543 PolarHBondContact O-OG1 3.07Å; L540-D544 HydrophobicContact CD1-CB 3.92Å; L540-D544 CarbonylContact O-C 3.48Å; L540-D544 VanDerWaalsContact O-C 3.27Å; L540-D544 WeakPolarHBondContact O-CA 3.46Å; L540-D544 PolarHBondContact O-N 3.27Å; L540-Y547 HydrophobicContact CD2-CD1 3.59Å; L540-Y547 HydrophobicContact CD2-CE1 4.17Å; L540-Y547 HydrophobicContact CG-CD1 4.47Å; L540-L551 HydrophobicContact CD2-CD1 3.86Å; L540-V605 HydrophobicContact CD2-CG2 4.32Å; L540-R608 HydrophobicContact CD1-CB 4.44Å; L540-R608 HydrophobicContact CD1-CG 3.5Å; L540-R608 HydrophobicContact CD2-CG 4.33Å; L540-F609 HydrophobicContact CB-CE2 3.98Å; L540-F609 HydrophobicContact CB-CZ 4.05Å; L540-F609 HydrophobicContact CD1-CE2 4.36Å; L540-F609 HydrophobicContact CD1-CZ 4.23Å
541	G	67.3	Low	81.2	Confident	14 Å²	14	58.1 Å²	58.1	14%	0.144	28%	0.283	C	S	.	.	H	α-helix	trans	-61.7	-28.4	174.8	0	0	0	0	0	114	L537 E538 D539 H545 Y548	L537-G541 PolarHBondContact O-N 2.75Å; E538-G541 WeakPolarHBondContact O-CA 3.49Å; E538-G541 PolarHBondContact O-N 3.43Å; D539-G541 PolarHBondContact O-N 3.17Å; G541-H545 PolarHBondContact O-ND1 3.17Å; G541-Y548 VanDerWaalsContact CA-CG 3.43Å
542	H	61.8	Low	81.3	Confident	150 Å²	150	58 Å²	58	69%	0.694	28%	0.283	S	S	*	.	H	α-helix	trans	-84.8	-30.2	176.4	-66.4	-72.8	0	0	0	113.1	E538 D539 L540	E538-H542 PolarHBondContact O-CD2 2.95Å; E538-H542 VanDerWaalsContact O-CD2 3.24Å; E538-H542 PolarHBondContact O-N 3.08Å; D539-H542 PolarHBondContact O-N 2.7Å; D539-H542 VanDerWaalsContact O-N 3.17Å; L540-H542 PolarHBondContact O-N 3.08Å
543	T	65.2	Low	81.5	Confident	5 Å²	5	53.7 Å²	53.7	3%	0.031	26%	0.263	C	S	.	.	H	α-helix	trans	-92.7	-41.1	-178.7	59.8	0	0	0	0	113.2	T479 G480 T523 A525 D539 L540 F609	T479-T543 PolarHBondContact OG1-O 3.23Å; G480-T543 WeakPolarHBondContact CA-O 3.45Å; G480-T543 PolarHBondContact N-O 3.32Å; G480-T543 VanDerWaalsContact N-O 3.09Å; T523-T543 HydrophobicContact CG2-CG2 4.06Å; A525-T543 HydrophobicContact CB-CG2 4.08Å; D539-T543 PolarHBondContact O-N 3.48Å; L540-T543 PolarHBondContact O-N 3.39Å; L540-T543 PolarHBondContact O-OG1 3.07Å; T543-F609 HydrophobicContact CG2-CE1 4.12Å
544	D	76.1	Confident	81.9	Confident	27 Å²	27	49.7 Å²	49.7	14%	0.144	25%	0.248	C	C	.	.			trans	-142.1	79.7	-175.5	-169.2	-24.5	0	0	0	109.9	L540 S546 Y547 Y548 R608	L540-D544 HydrophobicContact CD1-CB 3.92Å; L540-D544 CarbonylContact O-C 3.48Å; L540-D544 VanDerWaalsContact O-C 3.27Å; L540-D544 WeakPolarHBondContact O-CA 3.46Å; L540-D544 PolarHBondContact O-N 3.27Å; D544-S546 PolarHBondContact O-N 2.83Å; D544-S546 PolarHBondContact OD1-OG 3.41Å; D544-Y547 PolarHBondContact O-N 2.79Å; D544-Y547 VanDerWaalsContact OD1-CB 3.29Å; D544-Y547 WeakPolarHBondContact OD1-CB 3.33Å; D544-Y547 PolarHBondContact OD1-N 3.39Å; D544-Y548 WeakPolarHBondContact O-CB 3.23Å; D544-Y548 PolarHBondContact O-N 3.48Å; D544-R608 IonicContact OD2-CZ 3.31Å; D544-R608 IonicContact OD2-NE 3.49Å; D544-R608 PolarHBondContact OD2-NE 3.47Å; D544-R608 VanDerWaalsContact OD2-NE 3.13Å; D544-R608 IonicContact OD2-NH2 3.62Å; D544-R608 PolarHBondContact OD2-NH2 2.92Å
545	H	73.3	Confident	82.1	Confident	69 Å²	69	46.7 Å²	46.7	32%	0.319	23%	0.232	S	C	.	.	H	α-helix	trans	-57.9	-37.4	-174.8	-166	65.9	0	0	0	112.7	R219 G541 Q549	R219-H545 PolarHBondContact NH2-CE1 3.09Å; R219-H545 PolarHBondContact NH2-NE2 3.3Å; G541-H545 PolarHBondContact O-ND1 3.17Å; H545-Q549 PolarHBondContact CD2-NE2 3.27Å; H545-Q549 PolarHBondContact NE2-NE2 2.97Å; H545-Q549 VanDerWaalsContact O-CG 3.31Å; H545-Q549 WeakPolarHBondContact O-CG 3.33Å; H545-Q549 PolarHBondContact O-N 2.96Å
546	S	78.5	Confident	82.4	Confident	75 Å²	75	50 Å²	50	52%	0.524	25%	0.251	S	S	.	.	H	α-helix	trans	-63.7	-46.6	177.9	38.8	0	0	0	0	112.5	D544 Q549 S550	D544-S546 PolarHBondContact O-N 2.83Å; D544-S546 PolarHBondContact OD1-OG 3.41Å; S546-Q549 PolarHBondContact O-N 3.19Å; S546-S550 PolarHBondContact O-N 3.21Å; S546-S550 PolarHBondContact O-OG 3Å
547	Y	86.9	Confident	82.9	Confident	43 Å²	43	50.2 Å²	50.2	17%	0.169	25%	0.25	C	C	.	.	H	α-helix	trans	-70.8	-37.9	-179.2	-162	-82.6	0	0	0	111.4	L540 D544 Q549 S550 L551 M604 W607 R608	L540-Y547 HydrophobicContact CD2-CD1 3.59Å; L540-Y547 HydrophobicContact CD2-CE1 4.17Å; L540-Y547 HydrophobicContact CG-CD1 4.47Å; D544-Y547 PolarHBondContact O-N 2.79Å; D544-Y547 VanDerWaalsContact OD1-CB 3.29Å; D544-Y547 WeakPolarHBondContact OD1-CB 3.33Å; D544-Y547 PolarHBondContact OD1-N 3.39Å; Y547-Q549 PolarHBondContact O-N 3.05Å; Y547-S550 WeakPolarHBondContact O-CB 3.33Å; Y547-S550 PolarHBondContact O-N 3.39Å; Y547-L551 HydrophobicContact CD1-CD1 4.08Å; Y547-L551 HydrophobicContact CD1-CG 4.19Å; Y547-L551 HydrophobicContact CE1-CD1 3.87Å; Y547-L551 HydrophobicContact CE1-CD2 4.45Å; Y547-L551 HydrophobicContact CE1-CG 4.1Å; Y547-L551 PolarHBondContact O-N 3.5Å; Y547-L551 VanDerWaalsContact O-N 3.09Å; Y547-M604 WeakPolarHBondContact OH-CE 3.32Å; Y547-M604 PolarHBondContact OH-SD 2.78Å; Y547-W607 WeakPolarHBondContact OH-CZ3 3.2Å; Y547-R608 HydrophobicContact CD1-CG 4.23Å; Y547-R608 HydrophobicContact CE1-CB 4.15Å; Y547-R608 HydrophobicContact CE1-CG 4.15Å
548	Y	84	Confident	83.2	Confident	58 Å²	58	51.6 Å²	51.6	23%	0.227	26%	0.26	C	S	.	.	H	α-helix	trans	-54	-50.1	168.5	167.1	-100.8	0	0	0	111.9	L537 G541 D544 S550 L551 I552	L537-Y548 HydrophobicContact CD1-CD2 3.82Å; L537-Y548 HydrophobicContact CD1-CE2 4.35Å; L537-Y548 HydrophobicContact CG-CD2 3.84Å; L537-Y548 HydrophobicContact CG-CE2 3.85Å; L537-Y548 WeakPolarHBondContact O-CD2 3.47Å; G541-Y548 VanDerWaalsContact CA-CG 3.43Å; D544-Y548 WeakPolarHBondContact O-CB 3.23Å; D544-Y548 PolarHBondContact O-N 3.48Å; Y548-S550 VanDerWaalsContact C-N 3.28Å; Y548-S550 PolarHBondContact O-N 3.43Å; Y548-L551 PolarHBondContact O-N 3.31Å; Y548-L551 VanDerWaalsContact O-N 3.15Å; Y548-I552 HydrophobicContact CD1-CG1 4.13Å; Y548-I552 HydrophobicContact CD2-CD1 4.38Å; Y548-I552 HydrophobicContact CD2-CG1 3.97Å; Y548-I552 HydrophobicContact CE1-CD1 4.35Å; Y548-I552 HydrophobicContact CE1-CG1 3.74Å; Y548-I552 HydrophobicContact CE2-CD1 3.61Å; Y548-I552 HydrophobicContact CE2-CG1 3.6Å; Y548-I552 HydrophobicContact CG-CG1 4.24Å; Y548-I552 VanDerWaalsContact CZ-CG1 3.46Å; Y548-I552 VanDerWaalsContact O-CG1 3.25Å; Y548-I552 WeakPolarHBondContact O-CG1 3.32Å; Y548-I552 PolarHBondContact O-N 3.44Å; Y548-I552 WeakPolarHBondContact OH-CD1 3.47Å
549	Q	87.8	Confident	83.9	Confident	83 Å²	83	47.2 Å²	47.2	39%	0.388	24%	0.24	S	C	.	.	H	α-helix	trans	-58.1	-40.1	178.3	-76.7	-178.7	-2.6	0	0	112.5	H545 S546 Y547 I552 Y553	H545-Q549 PolarHBondContact CD2-NE2 3.27Å; H545-Q549 PolarHBondContact NE2-NE2 2.97Å; H545-Q549 VanDerWaalsContact O-CG 3.31Å; H545-Q549 WeakPolarHBondContact O-CG 3.33Å; H545-Q549 PolarHBondContact O-N 2.96Å; S546-Q549 PolarHBondContact O-N 3.19Å; Y547-Q549 PolarHBondContact O-N 3.05Å; Q549-I552 PolarHBondContact O-N 3.39Å; Q549-Y553 PolarHBondContact O-N 3.31Å
550	S	92.1	Very high	84.4	Confident	49 Å²	49	51.2 Å²	51.2	34%	0.343	26%	0.261	S	S	.	.	H	α-helix	trans	-62.2	-43.9	175.9	-60.6	0	0	0	0	112.3	S546 Y547 Y548 Y553 V554	S546-S550 PolarHBondContact O-N 3.21Å; S546-S550 PolarHBondContact O-OG 3Å; Y547-S550 WeakPolarHBondContact O-CB 3.33Å; Y547-S550 PolarHBondContact O-N 3.39Å; Y548-S550 VanDerWaalsContact C-N 3.28Å; Y548-S550 PolarHBondContact O-N 3.43Å; S550-Y553 WeakPolarHBondContact O-CB 3.39Å; S550-Y553 PolarHBondContact O-N 3.44Å; S550-V554 WeakPolarHBondContact O-CG2 3.43Å; S550-V554 PolarHBondContact O-N 3.2Å; S550-V554 VanDerWaalsContact O-N 3.08Å
551	L	93.4	Very high	84.7	Confident	4 Å²	4	59.1 Å²	59.1	2%	0.021	30%	0.298	C	S	.	.	H	α-helix	trans	-70.4	-35.1	177.2	-67.1	-174.1	0	0	0	112.8	L537 L540 Y547 Y548 Y553 V554 R555 Y600 M604 V605	L537-L551 HydrophobicContact CD1-CB 3.77Å; L537-L551 HydrophobicContact CD1-CD1 3.78Å; L537-L551 HydrophobicContact CD1-CG 4.44Å; L540-L551 HydrophobicContact CD2-CD1 3.86Å; Y547-L551 HydrophobicContact CD1-CD1 4.08Å; Y547-L551 HydrophobicContact CD1-CG 4.19Å; Y547-L551 HydrophobicContact CE1-CD1 3.87Å; Y547-L551 HydrophobicContact CE1-CD2 4.45Å; Y547-L551 HydrophobicContact CE1-CG 4.1Å; Y547-L551 PolarHBondContact O-N 3.5Å; Y547-L551 VanDerWaalsContact O-N 3.09Å; Y548-L551 PolarHBondContact O-N 3.31Å; Y548-L551 VanDerWaalsContact O-N 3.15Å; L551-Y553 VanDerWaalsContact C-N 3.29Å; L551-Y553 PolarHBondContact O-N 3.19Å; L551-V554 PolarHBondContact O-N 3.42Å; L551-R555 WeakPolarHBondContact O-CB 3.34Å; L551-R555 PolarHBondContact O-N 3.12Å; L551-Y600 HydrophobicContact CD2-CE1 4.36Å; L551-M604 HydrophobicContact CD1-CB 4.18Å; L551-M604 HydrophobicContact CD2-CB 4Å; L551-M604 HydrophobicContact CD2-CG 4.45Å; L551-V605 HydrophobicContact CD1-CG2 3.83Å
552	I	90.8	Very high	85.2	Confident	27 Å²	27	60.1 Å²	60.1	14%	0.138	30%	0.303	C	S	.	.	H	α-helix	trans	-61.6	-40.5	171.4	-67.8	-70.5	0	0	0	110.5	L537 Y548 Q549 R555 D556	L537-I552 HydrophobicContact CD2-CD1 3.67Å; L537-I552 HydrophobicContact CD2-CG1 4.38Å; L537-I552 HydrophobicContact CG-CD1 4.36Å; Y548-I552 HydrophobicContact CD1-CG1 4.13Å; Y548-I552 HydrophobicContact CD2-CD1 4.38Å; Y548-I552 HydrophobicContact CD2-CG1 3.97Å; Y548-I552 HydrophobicContact CE1-CD1 4.35Å; Y548-I552 HydrophobicContact CE1-CG1 3.74Å; Y548-I552 HydrophobicContact CE2-CD1 3.61Å; Y548-I552 HydrophobicContact CE2-CG1 3.6Å; Y548-I552 HydrophobicContact CG-CG1 4.24Å; Y548-I552 VanDerWaalsContact CZ-CG1 3.46Å; Y548-I552 VanDerWaalsContact O-CG1 3.25Å; Y548-I552 WeakPolarHBondContact O-CG1 3.32Å; Y548-I552 PolarHBondContact O-N 3.44Å; Y548-I552 WeakPolarHBondContact OH-CD1 3.47Å; Q549-I552 PolarHBondContact O-N 3.39Å; I552-R555 VanDerWaalsContact CD1-NH1 3.29Å; I552-R555 WeakPolarHBondContact O-CB 3.47Å; I552-R555 PolarHBondContact O-N 3.33Å; I552-D556 WeakPolarHBondContact CG2-OD2 3.35Å; I552-D556 WeakPolarHBondContact O-CB 3.45Å; I552-D556 PolarHBondContact O-N 3.17Å
553	Y	92.6	Very high	86.1	Confident	60 Å²	60	59.8 Å²	59.8	24%	0.235	31%	0.306	C	S	.	.	H	α-helix	trans	-61.8	-46.9	175.5	-173.3	-85.6	0	0	0	111.7	L88 Q549 S550 L551 R555 D556 N557 L564	L88-Y553 WeakPolarHBondContact CD2-OH 3.31Å; Q549-Y553 PolarHBondContact O-N 3.31Å; S550-Y553 WeakPolarHBondContact O-CB 3.39Å; S550-Y553 PolarHBondContact O-N 3.44Å; L551-Y553 VanDerWaalsContact C-N 3.29Å; L551-Y553 PolarHBondContact O-N 3.19Å; Y553-R555 VanDerWaalsContact C-N 3.27Å; Y553-R555 PolarHBondContact O-N 3.37Å; Y553-D556 PolarHBondContact O-N 2.76Å; Y553-N557 VanDerWaalsContact CD2-ND2 3.33Å; Y553-N557 WeakPolarHBondContact CD2-ND2 3.21Å; Y553-N557 HydrophobicContact CE1-CB 4.21Å; Y553-N557 WeakPolarHBondContact O-CB 3.48Å; Y553-N557 PolarHBondContact O-N 3.35Å; Y553-N557 VanDerWaalsContact O-N 3.08Å; Y553-N557 PolarHBondContact O-ND2 3.31Å; Y553-L564 HydrophobicContact CD1-CD1 4.38Å; Y553-L564 HydrophobicContact CE1-CD1 4.26Å; Y553-L564 HydrophobicContact CE1-CD2 4.25Å
554	V	94	Very high	87	Confident	9 Å²	9	62.4 Å²	62.4	6%	0.055	32%	0.319	C	S	.	.	H	α-helix	trans	-59.2	-39.5	174.8	174.7	0	0	0	0	111	S550 L551 V559 L564 L566 K597 Y600 I601	S550-V554 WeakPolarHBondContact O-CG2 3.43Å; S550-V554 PolarHBondContact O-N 3.2Å; S550-V554 VanDerWaalsContact O-N 3.08Å; L551-V554 PolarHBondContact O-N 3.42Å; V554-V559 HydrophobicContact CG1-CG2 3.82Å; V554-V559 WeakPolarHBondContact O-CG2 3.41Å; V554-L564 HydrophobicContact CG2-CD1 4.3Å; V554-L566 HydrophobicContact CG2-CD1 3.74Å; V554-K597 HydrophobicContact CG1-CB 4.25Å; V554-K597 WeakPolarHBondContact O-CD 3.36Å; V554-Y600 HydrophobicContact CG1-CD1 4.22Å; V554-Y600 HydrophobicContact CG1-CE1 4.41Å; V554-I601 HydrophobicContact CG1-CD1 4.21Å; V554-I601 HydrophobicContact CG1-CG1 4.19Å
555	R	93.1	Very high	87.7	Confident	101 Å²	101	65.6 Å²	65.6	38%	0.381	34%	0.336	S	S	.	.	H	α-helix	trans	-64.8	-48.7	178.5	-167.9	-172	67	-170.8	-4.4	112.4	L551 I552 Y553 K597 I601	L551-R555 WeakPolarHBondContact O-CB 3.34Å; L551-R555 PolarHBondContact O-N 3.12Å; I552-R555 VanDerWaalsContact CD1-NH1 3.29Å; I552-R555 WeakPolarHBondContact O-CB 3.47Å; I552-R555 PolarHBondContact O-N 3.33Å; Y553-R555 VanDerWaalsContact C-N 3.27Å; Y553-R555 PolarHBondContact O-N 3.37Å; R555-K597 PolarHBondContact O-NZ 3.42Å; R555-I601 HydrophobicContact CB-CD1 3.67Å; R555-I601 HydrophobicContact CG-CD1 4.12Å
556	D	92.9	Very high	88.7	Confident	95 Å²	95	64.3 Å²	64.3	51%	0.508	33%	0.332	S	S	.	.	H	α-helix	trans	-93.4	-8.4	-164.8	-64.5	-12.7	0	0	0	113.7	I552 Y553	I552-D556 WeakPolarHBondContact CG2-OD2 3.35Å; I552-D556 WeakPolarHBondContact O-CB 3.45Å; I552-D556 PolarHBondContact O-N 3.17Å; Y553-D556 PolarHBondContact O-N 2.76Å
557	N	91.8	Very high	89.5	Confident	51 Å²	51	64.1 Å²	64.1	27%	0.273	32%	0.32	S	S	.	.	S	Bend	trans	-116.3	152.9	178.7	-61.7	-89.1	0	0	0	111.6	Y553 V559 K597	Y553-N557 VanDerWaalsContact CD2-ND2 3.33Å; Y553-N557 WeakPolarHBondContact CD2-ND2 3.21Å; Y553-N557 HydrophobicContact CE1-CB 4.21Å; Y553-N557 WeakPolarHBondContact O-CB 3.48Å; Y553-N557 PolarHBondContact O-N 3.35Å; Y553-N557 VanDerWaalsContact O-N 3.08Å; Y553-N557 PolarHBondContact O-ND2 3.31Å; N557-V559 PolarHBondContact O-N 3.32Å; N557-V559 VanDerWaalsContact O-N 3.09Å; N557-K597 PolarHBondContact O-NZ 3.25Å
558	P	91.2	Very high	90.1	Very high	47 Å²	47	62.4 Å²	62.4	31%	0.305	31%	0.313	S	S	.	.			trans	-72	98	174.5	28.5	-32.8	0	0	0	110.7	D560 E561 C562 E594	P558-D560 VanDerWaalsContact C-N 3.25Å; P558-D560 PolarHBondContact O-N 3.36Å; P558-E561 HydrophobicContact CB-CB 4.21Å; P558-E561 HydrophobicContact CB-CG 4.06Å; P558-E561 HydrophobicContact CG-CB 4.06Å; P558-E561 HydrophobicContact CG-CG 4.19Å; P558-E561 WeakPolarHBondContact CG-OE2 3.29Å; P558-E561 PolarHBondContact O-N 3.17Å; P558-C562 PolarHBondContact O-N 3.43Å; P558-C562 PolarHBondContact O-SG 2.69Å; P558-E594 WeakPolarHBondContact CA-OE1 3.22Å
559	V	89.8	Confident	90.6	Very high	9 Å²	9	61.5 Å²	61.5	6%	0.055	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-52.6	-41.4	-178.7	177.9	0	0	0	0	111.8	V554 N557 E561 C562 L564 V592 E594 K597	V554-V559 HydrophobicContact CG1-CG2 3.82Å; V554-V559 WeakPolarHBondContact O-CG2 3.41Å; N557-V559 PolarHBondContact O-N 3.32Å; N557-V559 VanDerWaalsContact O-N 3.09Å; V559-E561 PolarHBondContact O-N 3.19Å; V559-C562 PolarHBondContact O-N 3.24Å; V559-C562 VanDerWaalsContact O-N 3.08Å; V559-L564 HydrophobicContact CG1-CD1 4.46Å; V559-V592 HydrophobicContact CG1-CG1 4.32Å; V559-E594 WeakPolarHBondContact CB-OE1 3.41Å; V559-E594 WeakPolarHBondContact CG2-OE1 3.34Å; V559-E594 PolarHBondContact N-OE1 3.43Å; V559-K597 HydrophobicContact CG2-CB 4.26Å; V559-K597 HydrophobicContact CG2-CD 3.75Å
560	D	87.2	Confident	90.9	Very high	99 Å²	99	57.5 Å²	57.5	53%	0.529	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-64.2	-24.5	179.3	-65.7	-27.9	0	0	0	112.9	P558 T593 E594	P558-D560 VanDerWaalsContact C-N 3.25Å; P558-D560 PolarHBondContact O-N 3.36Å; D560-T593 VanDerWaalsContact OD1-CA 3.24Å; D560-T593 WeakPolarHBondContact OD1-CA 3.4Å; D560-E594 HydrophobicContact CB-CG 4.21Å; D560-E594 PolarHBondContact OD1-N 3.29Å; D560-E594 VanDerWaalsContact OD2-CB 3.31Å; D560-E594 WeakPolarHBondContact OD2-CB 3.46Å; D560-E594 VanDerWaalsContact OD2-CG 3.31Å; D560-E594 WeakPolarHBondContact OD2-CG 3.14Å; D560-E594 PolarHBondContact OD2-N 2.88Å
561	E	88	Confident	90.9	Very high	167 Å²	167	58.5 Å²	58.5	78%	0.78	30%	0.297	S	S	*	.	G	3₁₀ helix	trans	-93.5	-15.1	175.9	-59.5	-178.4	-174.6	0	0	112.8	P558 V559	P558-E561 HydrophobicContact CB-CB 4.21Å; P558-E561 HydrophobicContact CB-CG 4.06Å; P558-E561 HydrophobicContact CG-CB 4.06Å; P558-E561 HydrophobicContact CG-CG 4.19Å; P558-E561 WeakPolarHBondContact CG-OE2 3.29Å; P558-E561 PolarHBondContact O-N 3.17Å; V559-E561 PolarHBondContact O-N 3.19Å
562	C	78.4	Confident	90.7	Very high	35 Å²	35	59.6 Å²	59.6	24%	0.236	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	1	-169	-71.3	0	0	0	0	115.2	P558 V559 L564	P558-C562 PolarHBondContact O-N 3.43Å; P558-C562 PolarHBondContact O-SG 2.69Å; V559-C562 PolarHBondContact O-N 3.24Å; V559-C562 VanDerWaalsContact O-N 3.08Å; C562-L564 HydrophobicContact CB-CD1 3.98Å; C562-L564 HydrophobicContact CB-CD2 4.19Å; C562-L564 HydrophobicContact CB-CG 3.67Å; C562-L564 PolarHBondContact O-N 3.48Å; C562-L564 VanDerWaalsContact O-N 3.07Å
563	D	80.6	Confident	90.4	Very high	143 Å²	143	63.2 Å²	63.2	77%	0.765	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	42.6	42.1	-179.1	-157.3	26.5	0	0	0	114	D565	D563-D565 VanDerWaalsContact C-N 3.31Å; D563-D565 PolarHBondContact O-N 3.32Å
564	L	85	Confident	90.1	Very high	59 Å²	59	61.6 Å²	61.6	31%	0.309	32%	0.316	S	S	.	.			trans	-78.7	-14	-174.7	-62.5	175.9	0	0	0	113.7	Y553 V554 V559 C562 L566	Y553-L564 HydrophobicContact CD1-CD1 4.38Å; Y553-L564 HydrophobicContact CE1-CD1 4.26Å; Y553-L564 HydrophobicContact CE1-CD2 4.25Å; V554-L564 HydrophobicContact CG2-CD1 4.3Å; V559-L564 HydrophobicContact CG1-CD1 4.46Å; C562-L564 HydrophobicContact CB-CD1 3.98Å; C562-L564 HydrophobicContact CB-CD2 4.19Å; C562-L564 HydrophobicContact CB-CG 3.67Å; C562-L564 PolarHBondContact O-N 3.48Å; C562-L564 VanDerWaalsContact O-N 3.07Å; L564-L566 VanDerWaalsContact C-N 3.29Å; L564-L566 HydrophobicContact CB-CD1 3.96Å; L564-L566 HydrophobicContact CB-CG 3.77Å; L564-L566 HydrophobicContact CD1-CD1 4.03Å; L564-L566 PolarHBondContact O-N 2.99Å
565	D	89.7	Confident	89.6	Confident	94 Å²	94	66.6 Å²	66.6	50%	0.503	34%	0.342	S	S	.	.			trans	42.9	49.8	-176.8	-152.9	29.3	0	0	0	114.3	D563 Y567 K591	D563-D565 VanDerWaalsContact C-N 3.31Å; D563-D565 PolarHBondContact O-N 3.32Å; D565-Y567 VanDerWaalsContact OD1-CE2 3.32Å; D565-Y567 WeakPolarHBondContact OD1-CE2 3.13Å; D565-Y567 PolarHBondContact OD1-OH 3.47Å; D565-Y567 VanDerWaalsContact OD1-OH 3.12Å; D565-K591 IonicContact OD1-NZ 3.47Å
566	L	94.1	Very high	89.1	Confident	42 Å²	42	64.6 Å²	64.6	22%	0.22	35%	0.353	C	S	.	.			trans	-89.8	142.9	-179.9	-61.7	175.3	0	0	0	111.1	V554 L564 V592 Y600	V554-L566 HydrophobicContact CG2-CD1 3.74Å; L564-L566 VanDerWaalsContact C-N 3.29Å; L564-L566 HydrophobicContact CB-CD1 3.96Å; L564-L566 HydrophobicContact CB-CG 3.77Å; L564-L566 HydrophobicContact CD1-CD1 4.03Å; L564-L566 PolarHBondContact O-N 2.99Å; L566-V592 HydrophobicContact CB-CB 3.84Å; L566-V592 HydrophobicContact CB-CG2 3.75Å; L566-V592 PolarHBondContact O-N 3.19Å; L566-Y600 HydrophobicContact CD1-CE1 4.15Å
567	Y	96.8	Very high	88.8	Confident	71 Å²	71	64.1 Å²	64.1	28%	0.278	35%	0.354	S	S	.	.	B	Isolated β-bridge	trans	-127.5	169.7	173.9	-65	-97.4	0	0	0	109.5	D565 I569 K588 I590 K591 Y600	D565-Y567 VanDerWaalsContact OD1-CE2 3.32Å; D565-Y567 WeakPolarHBondContact OD1-CE2 3.13Å; D565-Y567 PolarHBondContact OD1-OH 3.47Å; D565-Y567 VanDerWaalsContact OD1-OH 3.12Å; Y567-I569 PolarHBondContact O-N 3.48Å; Y567-K588 WeakPolarHBondContact CD1-O 3.28Å; Y567-I590 VanDerWaalsContact CA-O 3.31Å; Y567-I590 WeakPolarHBondContact CA-O 3.48Å; Y567-K591 HydrophobicContact CD1-CB 4.22Å; Y567-K591 HydrophobicContact CE1-CB 3.9Å; Y567-K591 HydrophobicContact CE1-CG 4.34Å; Y567-Y600 VanDerWaalsContact O-CE2 3.25Å; Y567-Y600 WeakPolarHBondContact O-CE2 3.21Å
568	F	97.7	Very high	88.7	Confident	7 Å²	7	67.5 Å²	67.5	3%	0.031	37%	0.371	C	S	.	.	S	Bend	trans	-76.8	57.9	178.1	-79	-111.9	0	0	0	111.7	L583 I584 G587 I590 V592 N596 D599 L603	F568-L583 HydrophobicContact CB-CB 4.35Å; F568-L583 WeakPolarHBondContact O-CB 3.43Å; F568-L583 PolarHBondContact O-N 2.7Å; F568-I584 HydrophobicContact CB-CD1 3.95Å; F568-I584 HydrophobicContact CB-CG1 3.79Å; F568-I584 HydrophobicContact CD1-CD1 3.52Å; F568-I584 HydrophobicContact CD1-CG1 3.96Å; F568-I584 HydrophobicContact CD1-CG2 4.48Å; F568-I584 HydrophobicContact CD2-CD1 4.42Å; F568-I584 HydrophobicContact CE1-CD1 4.09Å; F568-I584 HydrophobicContact CG-CD1 3.72Å; F568-I584 HydrophobicContact CG-CG1 4.09Å; F568-G587 PolarHBondContact N-O 3.25Å; F568-I590 HydrophobicContact CD2-CB 4.13Å; F568-I590 HydrophobicContact CD2-CG2 3.64Å; F568-I590 WeakPolarHBondContact CD2-O 3.45Å; F568-I590 HydrophobicContact CE2-CG2 3.85Å; F568-I590 HydrophobicContact CG-CG2 4.42Å; F568-I590 PolarHBondContact N-O 3.49Å; F568-V592 HydrophobicContact CD2-CG2 3.98Å; F568-V592 HydrophobicContact CE2-CG2 3.97Å; F568-N596 HydrophobicContact CE2-CB 4.32Å; F568-N596 HydrophobicContact CZ-CB 3.98Å; F568-D599 HydrophobicContact CE1-CB 4.31Å; F568-L603 HydrophobicContact CD1-CD1 3.77Å; F568-L603 HydrophobicContact CE1-CD1 3.84Å
569	I	96.5	Very high	88.6	Confident	39 Å²	39	68.6 Å²	68.6	20%	0.2	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	142.1	178	63.4	174.9	0	0	0	110.5	Y567 E580 D581 E582 K588	Y567-I569 PolarHBondContact O-N 3.48Å; I569-E580 HydrophobicContact CB-CG 4.24Å; I569-E580 HydrophobicContact CD1-CG 4.33Å; I569-D581 CarbonylContact C-O 3.53Å; I569-D581 WeakPolarHBondContact CA-O 3.41Å; I569-E582 HydrophobicContact CG2-CG 4.41Å; I569-K588 HydrophobicContact CG2-CB 3.97Å
570	G	92.9	Very high	88.7	Confident	0 Å²	0	73.6 Å²	73.6	0%	0	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	132.5	170.3	0	0	0	0	0	110.3	E580 D581 W607	G570-E580 WeakPolarHBondContact O-CA 3.49Å; G570-D581 PolarHBondContact N-O 3.02Å; G570-D581 PolarHBondContact O-N 3.07Å; G570-W607 VanDerWaalsContact C-CH2 3.41Å; G570-W607 WeakPolarHBondContact O-CZ2 3.37Å
571	T	91.5	Very high	89	Confident	69 Å²	69	71.7 Å²	71.7	42%	0.423	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	136.1	178.6	56.3	0	0	0	0	112.6	H579 E580 W607	T571-H579 CarbonylContact C-O 3.56Å; T571-H579 VanDerWaalsContact CA-O 3.24Å; T571-H579 WeakPolarHBondContact CA-O 2.97Å; T571-E580 HydrophobicContact CG2-CB 4.11Å; T571-E580 HydrophobicContact CG2-CG 3.98Å; T571-W607 VanDerWaalsContact N-CH2 3.32Å; T571-W607 WeakPolarHBondContact O-CH2 3.38Å
572	Y	89.3	Confident	89.4	Confident	27 Å²	27	67.6 Å²	67.6	11%	0.106	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	146.8	177.3	76.6	-77.5	0	0	0	112.2	L574 H579 W607 R611	Y572-L574 HydrophobicContact CD2-CB 4.27Å; Y572-L574 HydrophobicContact CE2-CB 3.83Å; Y572-L574 HydrophobicContact CE2-CD1 4.34Å; Y572-L574 HydrophobicContact CE2-CD2 4.24Å; Y572-L574 HydrophobicContact CE2-CG 4.37Å; Y572-H579 HydrophobicContact CD1-CB 3.76Å; Y572-H579 HydrophobicContact CE1-CB 3.43Å; Y572-H579 VanDerWaalsContact CE1-CB 3.43Å; Y572-H579 HydrophobicContact CE2-CB 4.47Å; Y572-H579 HydrophobicContact CG-CB 4.42Å; Y572-H579 PolarHBondContact N-O 3.49Å; Y572-H579 PolarHBondContact O-N 3.36Å; Y572-W607 HydrophobicContact CD1-CH2 4.37Å; Y572-W607 AromaticContact CD1-CZ2 3.75Å; Y572-W607 HydrophobicContact CD1-CZ2 3.75Å; Y572-W607 HydrophobicContact CG-CZ2 4.46Å; Y572-R611 VanDerWaalsContact CB-NH1 3.28Å; Y572-R611 HydrophobicContact CE1-CB 4.47Å
573	D	85.1	Confident	90.3	Very high	104 Å²	104	67.1 Å²	67.1	56%	0.556	36%	0.36	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.9	127.7	173	-172.5	-62.5	0	0	0	109.3	L575 G576	D573-L575 PolarHBondContact OD1-N 3Å; D573-G576 VanDerWaalsContact OD1-CA 3.3Å; D573-G576 WeakPolarHBondContact OD1-CA 3.49Å; D573-G576 PolarHBondContact OD1-N 2.72Å; D573-G576 WeakPolarHBondContact OD2-CA 3.25Å
574	L	86.1	Confident	91	Very high	25 Å²	25	63.1 Å²	63.1	13%	0.131	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	105.9	171	-171.9	63.7	0	0	0	108.6	P489 A490 Y572 G576 V577	P489-L574 HydrophobicContact CB-CD1 4.12Å; A490-L574 HydrophobicContact CB-CD1 3.86Å; Y572-L574 HydrophobicContact CD2-CB 4.27Å; Y572-L574 HydrophobicContact CE2-CB 3.83Å; Y572-L574 HydrophobicContact CE2-CD1 4.34Å; Y572-L574 HydrophobicContact CE2-CD2 4.24Å; Y572-L574 HydrophobicContact CE2-CG 4.37Å; L574-G576 PolarHBondContact O-N 3.35Å; L574-V577 PolarHBondContact N-O 2.97Å; L574-V577 PolarHBondContact O-N 3.14Å
575	L	83.9	Confident	91.5	Very high	114 Å²	114	69.5 Å²	69.5	60%	0.597	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.8	37.5	179.4	-57.1	173.3	0	0	0	113.2	A490 V493 D573	A490-L575 HydrophobicContact CB-CD1 4.36Å; A490-L575 HydrophobicContact CB-CD2 3.94Å; A490-L575 HydrophobicContact CB-CG 4.06Å; V493-L575 HydrophobicContact CG2-CD1 3.78Å; V493-L575 HydrophobicContact CG2-CD2 4.41Å; D573-L575 PolarHBondContact OD1-N 3Å
576	G	83.4	Confident	91.8	Very high	59 Å²	59	66.2 Å²	66.2	61%	0.608	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.6	-0.8	179.9	0	0	0	0	0	114.8	D573 L574	D573-G576 VanDerWaalsContact OD1-CA 3.3Å; D573-G576 WeakPolarHBondContact OD1-CA 3.49Å; D573-G576 PolarHBondContact OD1-N 2.72Å; D573-G576 WeakPolarHBondContact OD2-CA 3.25Å; L574-G576 PolarHBondContact O-N 3.35Å
577	V	86.4	Confident	91.9	Very high	86 Å²	86	64.2 Å²	64.2	52%	0.521	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	122.2	175.2	-176.7	0	0	0	0	108.9	L574 H579	L574-V577 PolarHBondContact N-O 2.97Å; L574-V577 PolarHBondContact O-N 3.14Å; V577-H579 PolarHBondContact O-CD2 2.99Å; V577-H579 PolarHBondContact O-N 3.37Å
578	L	88.5	Confident	91.8	Very high	122 Å²	122	65.9 Å²	65.9	64%	0.639	35%	0.353	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.1	117.6	173.8	-171.3	70	0	0	0	109.4
579	H	89.1	Confident	91.7	Very high	69 Å²	69	71.5 Å²	71.5	32%	0.319	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	139.6	170.8	-74.2	-92.8	0	0	0	109.9	T571 Y572 V577	T571-H579 CarbonylContact C-O 3.56Å; T571-H579 VanDerWaalsContact CA-O 3.24Å; T571-H579 WeakPolarHBondContact CA-O 2.97Å; Y572-H579 HydrophobicContact CD1-CB 3.76Å; Y572-H579 HydrophobicContact CE1-CB 3.43Å; Y572-H579 VanDerWaalsContact CE1-CB 3.43Å; Y572-H579 HydrophobicContact CE2-CB 4.47Å; Y572-H579 HydrophobicContact CG-CB 4.42Å; Y572-H579 PolarHBondContact N-O 3.49Å; Y572-H579 PolarHBondContact O-N 3.36Å; V577-H579 PolarHBondContact O-CD2 2.99Å; V577-H579 PolarHBondContact O-N 3.37Å
580	E	92.3	Very high	91.7	Very high	115 Å²	115	72.7 Å²	72.7	54%	0.537	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	122.8	175.4	-176.7	177.8	111.5	0	0	108.7	I569 G570 T571	I569-E580 HydrophobicContact CB-CG 4.24Å; I569-E580 HydrophobicContact CD1-CG 4.33Å; G570-E580 WeakPolarHBondContact O-CA 3.49Å; T571-E580 HydrophobicContact CG2-CB 4.11Å; T571-E580 HydrophobicContact CG2-CG 3.98Å
581	D	93.4	Very high	91.9	Very high	59 Å²	59	77.1 Å²	77.1	32%	0.316	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	126.9	177.3	-61.3	-44.6	0	0	0	109.4	I569 G570 L583 W607	I569-D581 CarbonylContact C-O 3.53Å; I569-D581 WeakPolarHBondContact CA-O 3.41Å; G570-D581 PolarHBondContact N-O 3.02Å; G570-D581 PolarHBondContact O-N 3.07Å; D581-L583 PolarHBondContact O-N 3.26Å; D581-W607 PolarHBondContact OD2-NE1 3.39Å
582	E	96.5	Very high	92.1	Very high	81 Å²	81	74 Å²	74	38%	0.379	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	125.2	168.5	-62.8	-174.2	-169.7	0	0	109.6	I569 I584 G586 G587 K588	I569-E582 HydrophobicContact CG2-CG 4.41Å; E582-I584 VanDerWaalsContact C-N 3.29Å; E582-I584 WeakPolarHBondContact CB-O 3.46Å; E582-I584 PolarHBondContact O-N 3.19Å; E582-G586 VanDerWaalsContact OE2-CA 3.31Å; E582-G586 WeakPolarHBondContact OE2-CA 3.34Å; E582-G586 PolarHBondContact OE2-N 3.15Å; E582-G587 PolarHBondContact OE2-N 2.84Å; E582-K588 HydrophobicContact CG-CB 4.39Å; E582-K588 WeakPolarHBondContact OE1-CD 3.27Å; E582-K588 WeakPolarHBondContact OE1-CE 3.22Å; E582-K588 WeakPolarHBondContact OE1-CG 3.5Å; E582-K588 IonicContact OE1-NZ 2.72Å
583	L	96.4	Very high	92.4	Very high	25 Å²	25	74.6 Å²	74.6	13%	0.131	40%	0.396	C	S	.	.	S	Bend	trans	-73.5	-24	-177.7	-57.8	176	0	0	0	112.8	F568 D581 Y600 L603 M604 W607	F568-L583 HydrophobicContact CB-CB 4.35Å; F568-L583 WeakPolarHBondContact O-CB 3.43Å; F568-L583 PolarHBondContact O-N 2.7Å; D581-L583 PolarHBondContact O-N 3.26Å; L583-Y600 HydrophobicContact CD1-CD2 3.96Å; L583-Y600 HydrophobicContact CD1-CE2 4.03Å; L583-L603 HydrophobicContact CB-CB 4.2Å; L583-L603 HydrophobicContact CB-CD1 4.29Å; L583-L603 HydrophobicContact CD1-CB 4.16Å; L583-M604 HydrophobicContact CD1-CG 3.77Å; L583-M604 HydrophobicContact CD1-SD 3.55Å; L583-M604 VanDerWaalsContact CD1-SD 3.55Å; L583-M604 HydrophobicContact CD2-SD 3.98Å; L583-M604 HydrophobicContact CG-SD 4.33Å; L583-W607 HydrophobicContact CD2-CB 3.67Å; L583-W607 HydrophobicContact CD2-CD2 4.26Å; L583-W607 HydrophobicContact CD2-CG 3.66Å
584	I	96.4	Very high	92.8	Very high	59 Å²	59	72.8 Å²	72.8	30%	0.303	38%	0.384	S	S	.	.	S	Bend	trans	-141.1	161.5	174.9	56.3	-179.6	0	0	0	108	F568 E582 G586 G587 I590 L603	F568-I584 HydrophobicContact CB-CD1 3.95Å; F568-I584 HydrophobicContact CB-CG1 3.79Å; F568-I584 HydrophobicContact CD1-CD1 3.52Å; F568-I584 HydrophobicContact CD1-CG1 3.96Å; F568-I584 HydrophobicContact CD1-CG2 4.48Å; F568-I584 HydrophobicContact CD2-CD1 4.42Å; F568-I584 HydrophobicContact CE1-CD1 4.09Å; F568-I584 HydrophobicContact CG-CD1 3.72Å; F568-I584 HydrophobicContact CG-CG1 4.09Å; E582-I584 VanDerWaalsContact C-N 3.29Å; E582-I584 WeakPolarHBondContact CB-O 3.46Å; E582-I584 PolarHBondContact O-N 3.19Å; I584-G586 PolarHBondContact O-N 3.12Å; I584-G587 WeakPolarHBondContact O-CA 3.43Å; I584-G587 PolarHBondContact O-N 3.06Å; I584-I590 HydrophobicContact CD1-CD1 3.46Å; I584-I590 VanDerWaalsContact CD1-CD1 3.46Å; I584-I590 HydrophobicContact CD1-CG2 4.47Å; I584-I590 HydrophobicContact CG1-CD1 4.08Å; I584-L603 HydrophobicContact CG2-CD1 3.63Å
585	E	95.5	Very high	93.2	Very high	192 Å²	192	80.6 Å²	80.6	90%	0.897	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	122.9	176	-173.4	176	-178	0	0	110.9	G587	E585-G587 VanDerWaalsContact C-N 3.29Å
586	G	95.7	Very high	93.8	Very high	25 Å²	25	76.7 Å²	76.7	26%	0.258	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.4	15.7	-175.3	0	0	0	0	0	113.4	E582 I584 K588 D589	E582-G586 VanDerWaalsContact OE2-CA 3.31Å; E582-G586 WeakPolarHBondContact OE2-CA 3.34Å; E582-G586 PolarHBondContact OE2-N 3.15Å; I584-G586 PolarHBondContact O-N 3.12Å; G586-K588 PolarHBondContact O-N 3.15Å; G586-K588 VanDerWaalsContact O-N 3.13Å; G586-D589 PolarHBondContact O-N 3.22Å
587	G	96	Very high	94.4	Very high	0 Å²	0	75 Å²	75	0%	0	38%	0.376	C	S	.	.	G	3₁₀ helix	trans	-59.4	-27.6	-171.7	0	0	0	0	0	114.5	F568 E582 I584 E585 D589 I590	F568-G587 PolarHBondContact N-O 3.25Å; E582-G587 PolarHBondContact OE2-N 2.84Å; I584-G587 WeakPolarHBondContact O-CA 3.43Å; I584-G587 PolarHBondContact O-N 3.06Å; E585-G587 VanDerWaalsContact C-N 3.29Å; G587-D589 PolarHBondContact O-N 3.14Å; G587-I590 PolarHBondContact O-N 3.13Å
588	K	95.1	Very high	94.8	Very high	106 Å²	106	75 Å²	75	46%	0.461	38%	0.38	S	S	.	.	G	3₁₀ helix	trans	-61.3	-27.4	173.9	68.5	-179.9	173.9	-158.3	0	114	Y567 I569 E582 G586	Y567-K588 WeakPolarHBondContact CD1-O 3.28Å; I569-K588 HydrophobicContact CG2-CB 3.97Å; E582-K588 HydrophobicContact CG-CB 4.39Å; E582-K588 WeakPolarHBondContact OE1-CD 3.27Å; E582-K588 WeakPolarHBondContact OE1-CE 3.22Å; E582-K588 WeakPolarHBondContact OE1-CG 3.5Å; E582-K588 IonicContact OE1-NZ 2.72Å; G586-K588 PolarHBondContact O-N 3.15Å; G586-K588 VanDerWaalsContact O-N 3.13Å
589	D	96.1	Very high	95.2	Very high	125 Å²	125	72.9 Å²	72.9	67%	0.668	37%	0.369	S	S	*	.	G	3₁₀ helix	trans	-99.6	-3.2	-177	-61.1	-52.9	0	0	0	111.5	G586 G587	G586-D589 PolarHBondContact O-N 3.22Å; G587-D589 PolarHBondContact O-N 3.14Å
590	I	96.6	Very high	95.6	Very high	64 Å²	64	70.3 Å²	70.3	33%	0.328	36%	0.357	S	S	.	.			trans	-102.5	106.1	-178.4	-60	169.4	0	0	0	108.6	Y567 F568 I584 G587	Y567-I590 VanDerWaalsContact CA-O 3.31Å; Y567-I590 WeakPolarHBondContact CA-O 3.48Å; F568-I590 HydrophobicContact CD2-CB 4.13Å; F568-I590 HydrophobicContact CD2-CG2 3.64Å; F568-I590 WeakPolarHBondContact CD2-O 3.45Å; F568-I590 HydrophobicContact CE2-CG2 3.85Å; F568-I590 HydrophobicContact CG-CG2 4.42Å; F568-I590 PolarHBondContact N-O 3.49Å; I584-I590 HydrophobicContact CD1-CD1 3.46Å; I584-I590 VanDerWaalsContact CD1-CD1 3.46Å; I584-I590 HydrophobicContact CD1-CG2 4.47Å; I584-I590 HydrophobicContact CG1-CD1 4.08Å; G587-I590 PolarHBondContact O-N 3.13Å
591	K	96	Very high	95.8	Very high	94 Å²	94	65.5 Å²	65.5	41%	0.409	34%	0.335	S	S	.	.	B	Isolated β-bridge	trans	-70.7	140	176.6	-169.1	170.7	-178.9	164.6	0	111	D565 Y567 N596	D565-K591 IonicContact OD1-NZ 3.47Å; Y567-K591 HydrophobicContact CD1-CB 4.22Å; Y567-K591 HydrophobicContact CE1-CB 3.9Å; Y567-K591 HydrophobicContact CE1-CG 4.34Å; K591-N596 PolarHBondContact O-ND2 3.39Å
592	V	96.3	Very high	95.9	Very high	2 Å²	2	68.4 Å²	68.4	1%	0.012	34%	0.341	C	S	.	.			trans	-74.6	127.1	170.6	-174.4	0	0	0	0	108.8	V559 L566 F568 N596 K597 Y600	V559-V592 HydrophobicContact CG1-CG1 4.32Å; L566-V592 HydrophobicContact CB-CB 3.84Å; L566-V592 HydrophobicContact CB-CG2 3.75Å; L566-V592 PolarHBondContact O-N 3.19Å; F568-V592 HydrophobicContact CD2-CG2 3.98Å; F568-V592 HydrophobicContact CE2-CG2 3.97Å; V592-N596 VanDerWaalsContact CA-OD1 3.26Å; V592-N596 WeakPolarHBondContact CA-OD1 3.25Å; V592-K597 HydrophobicContact CG1-CB 4Å; V592-Y600 HydrophobicContact CB-CG 4.48Å; V592-Y600 HydrophobicContact CG1-CD1 4.05Å; V592-Y600 HydrophobicContact CG1-CG 3.99Å; V592-Y600 HydrophobicContact CG2-CD1 4.12Å; V592-Y600 HydrophobicContact CG2-CD2 3.45Å; V592-Y600 VanDerWaalsContact CG2-CD2 3.45Å; V592-Y600 HydrophobicContact CG2-CE1 4.47Å; V592-Y600 HydrophobicContact CG2-CE2 3.86Å; V592-Y600 HydrophobicContact CG2-CG 3.58Å
593	T	95.2	Very high	95.9	Very high	41 Å²	41	65.9 Å²	65.9	25%	0.252	33%	0.33	S	S	.	.			trans	-128.1	171	-177.9	60.8	0	0	0	0	109.6	D560 E595 N596 K597	D560-T593 VanDerWaalsContact OD1-CA 3.24Å; D560-T593 WeakPolarHBondContact OD1-CA 3.4Å; T593-E595 PolarHBondContact O-N 3.01Å; T593-N596 PolarHBondContact N-OD1 3.38Å; T593-N596 PolarHBondContact O-N 3Å; T593-N596 PolarHBondContact O-OD1 3.32Å; T593-N596 VanDerWaalsContact OG1-CG 3.27Å; T593-N596 PolarHBondContact OG1-ND2 3.2Å; T593-N596 PolarHBondContact OG1-OD1 3.43Å; T593-K597 WeakPolarHBondContact O-CB 3.4Å; T593-K597 PolarHBondContact O-N 2.89Å
594	E	94.4	Very high	95.9	Very high	65 Å²	65	65.2 Å²	65.2	30%	0.304	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-34	174.6	-78.3	-62.3	104.8	0	0	113.5	P558 V559 D560 K597	P558-E594 WeakPolarHBondContact CA-OE1 3.22Å; V559-E594 WeakPolarHBondContact CB-OE1 3.41Å; V559-E594 WeakPolarHBondContact CG2-OE1 3.34Å; V559-E594 PolarHBondContact N-OE1 3.43Å; D560-E594 HydrophobicContact CB-CG 4.21Å; D560-E594 PolarHBondContact OD1-N 3.29Å; D560-E594 VanDerWaalsContact OD2-CB 3.31Å; D560-E594 WeakPolarHBondContact OD2-CB 3.46Å; D560-E594 VanDerWaalsContact OD2-CG 3.31Å; D560-E594 WeakPolarHBondContact OD2-CG 3.14Å; D560-E594 PolarHBondContact OD2-N 2.88Å; E594-K597 VanDerWaalsContact OE1-CD 3.27Å; E594-K597 WeakPolarHBondContact OE1-CD 3.31Å; E594-K597 WeakPolarHBondContact OE1-CE 3.43Å; E594-K597 IonicContact OE1-NZ 3.68Å; E594-K597 PolarHBondContact OE1-NZ 3.25Å; E594-K597 WeakPolarHBondContact OE2-CE 3.45Å; E594-K597 IonicContact OE2-NZ 3.31Å; E594-K597 PolarHBondContact OE2-NZ 3.48Å
595	E	94.6	Very high	95.8	Very high	189 Å²	189	62.7 Å²	62.7	88%	0.883	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-36.1	-178.9	-172.4	174.8	-176.5	0	0	112.2	T593	T593-E595 PolarHBondContact O-N 3.01Å
596	N	96.1	Very high	95.7	Very high	32 Å²	32	58.3 Å²	58.3	17%	0.171	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109	-2.8	-171.6	72.3	23.1	0	0	0	114.4	F568 K591 V592 T593 S598 D599 Y600	F568-N596 HydrophobicContact CE2-CB 4.32Å; F568-N596 HydrophobicContact CZ-CB 3.98Å; K591-N596 PolarHBondContact O-ND2 3.39Å; V592-N596 VanDerWaalsContact CA-OD1 3.26Å; V592-N596 WeakPolarHBondContact CA-OD1 3.25Å; T593-N596 PolarHBondContact N-OD1 3.38Å; T593-N596 PolarHBondContact O-N 3Å; T593-N596 PolarHBondContact O-OD1 3.32Å; T593-N596 VanDerWaalsContact OG1-CG 3.27Å; T593-N596 PolarHBondContact OG1-ND2 3.2Å; T593-N596 PolarHBondContact OG1-OD1 3.43Å; N596-S598 PolarHBondContact O-N 3.31Å; N596-S598 VanDerWaalsContact O-N 3.16Å; N596-D599 PolarHBondContact O-N 2.81Å; N596-Y600 PolarHBondContact O-N 2.78Å; N596-Y600 VanDerWaalsContact O-N 3.11Å
597	K	95.5	Very high	95.7	Very high	23 Å²	23	58.2 Å²	58.2	10%	0.1	29%	0.288	C	S	.	.	H	α-helix	trans	-58.8	-31.1	-176.9	70.7	-177.3	-176.1	-178.9	0	114.3	V554 R555 N557 V559 V592 T593 E594 D599 Y600 I601	V554-K597 HydrophobicContact CG1-CB 4.25Å; V554-K597 WeakPolarHBondContact O-CD 3.36Å; R555-K597 PolarHBondContact O-NZ 3.42Å; N557-K597 PolarHBondContact O-NZ 3.25Å; V559-K597 HydrophobicContact CG2-CB 4.26Å; V559-K597 HydrophobicContact CG2-CD 3.75Å; V592-K597 HydrophobicContact CG1-CB 4Å; T593-K597 WeakPolarHBondContact O-CB 3.4Å; T593-K597 PolarHBondContact O-N 2.89Å; E594-K597 VanDerWaalsContact OE1-CD 3.27Å; E594-K597 WeakPolarHBondContact OE1-CD 3.31Å; E594-K597 WeakPolarHBondContact OE1-CE 3.43Å; E594-K597 IonicContact OE1-NZ 3.68Å; E594-K597 PolarHBondContact OE1-NZ 3.25Å; E594-K597 WeakPolarHBondContact OE2-CE 3.45Å; E594-K597 IonicContact OE2-NZ 3.31Å; E594-K597 PolarHBondContact OE2-NZ 3.48Å; K597-D599 VanDerWaalsContact C-N 3.33Å; K597-D599 PolarHBondContact O-N 3.49Å; K597-Y600 PolarHBondContact O-N 3.32Å; K597-I601 WeakPolarHBondContact O-CD1 3.34Å; K597-I601 VanDerWaalsContact O-CG1 3.25Å; K597-I601 WeakPolarHBondContact O-CG1 3.34Å; K597-I601 PolarHBondContact O-N 2.93Å
598	S	95.5	Very high	95.5	Very high	87 Å²	87	59.4 Å²	59.4	61%	0.608	29%	0.293	S	S	*	.	H	α-helix	trans	-64.8	-38.7	177.7	-64.3	0	0	0	0	111.7	N596 R602	N596-S598 PolarHBondContact O-N 3.31Å; N596-S598 VanDerWaalsContact O-N 3.16Å; S598-R602 WeakPolarHBondContact O-CB 3.36Å; S598-R602 PolarHBondContact O-N 2.89Å; S598-R602 VanDerWaalsContact O-N 3.1Å
599	D	96.8	Very high	95.3	Very high	78 Å²	78	55 Å²	55	42%	0.417	27%	0.274	S	S	.	.	H	α-helix	trans	-70.9	-41.9	174.6	-79.3	-43.6	0	0	0	111.7	F568 N596 K597 I601 R602 L603	F568-D599 HydrophobicContact CE1-CB 4.31Å; N596-D599 PolarHBondContact O-N 2.81Å; K597-D599 VanDerWaalsContact C-N 3.33Å; K597-D599 PolarHBondContact O-N 3.49Å; D599-I601 PolarHBondContact O-N 2.74Å; D599-R602 PolarHBondContact O-N 2.97Å; D599-R602 IonicContact OD1-CZ 2.71Å; D599-R602 IonicContact OD1-NE 2.73Å; D599-R602 PolarHBondContact OD1-NE 3.28Å; D599-R602 IonicContact OD1-NH2 2.97Å; D599-R602 PolarHBondContact OD1-NH2 3.45Å; D599-L603 WeakPolarHBondContact O-CB 3.44Å; D599-L603 VanDerWaalsContact O-CG 3.26Å; D599-L603 WeakPolarHBondContact O-CG 3.37Å; D599-L603 PolarHBondContact O-N 3.49Å
600	Y	97.3	Very high	95.1	Very high	14 Å²	14	51.5 Å²	51.5	6%	0.055	26%	0.255	C	S	.	.	H	α-helix	trans	-55.7	-49	173	172.2	-103.4	0	0	0	111.6	L551 V554 L566 Y567 L583 V592 N596 K597 R602 L603 M604	L551-Y600 HydrophobicContact CD2-CE1 4.36Å; V554-Y600 HydrophobicContact CG1-CD1 4.22Å; V554-Y600 HydrophobicContact CG1-CE1 4.41Å; L566-Y600 HydrophobicContact CD1-CE1 4.15Å; Y567-Y600 VanDerWaalsContact O-CE2 3.25Å; Y567-Y600 WeakPolarHBondContact O-CE2 3.21Å; L583-Y600 HydrophobicContact CD1-CD2 3.96Å; L583-Y600 HydrophobicContact CD1-CE2 4.03Å; V592-Y600 HydrophobicContact CB-CG 4.48Å; V592-Y600 HydrophobicContact CG1-CD1 4.05Å; V592-Y600 HydrophobicContact CG1-CG 3.99Å; V592-Y600 HydrophobicContact CG2-CD1 4.12Å; V592-Y600 HydrophobicContact CG2-CD2 3.45Å; V592-Y600 VanDerWaalsContact CG2-CD2 3.45Å; V592-Y600 HydrophobicContact CG2-CE1 4.47Å; V592-Y600 HydrophobicContact CG2-CE2 3.86Å; V592-Y600 HydrophobicContact CG2-CG 3.58Å; N596-Y600 PolarHBondContact O-N 2.78Å; N596-Y600 VanDerWaalsContact O-N 3.11Å; K597-Y600 PolarHBondContact O-N 3.32Å; Y600-R602 PolarHBondContact O-N 3.1Å; Y600-L603 PolarHBondContact O-N 3.06Å; Y600-M604 HydrophobicContact CD1-CG 4.38Å; Y600-M604 HydrophobicContact CD2-CG 3.99Å; Y600-M604 HydrophobicContact CE1-CG 4.04Å; Y600-M604 HydrophobicContact CE2-CE 4.12Å; Y600-M604 HydrophobicContact CE2-CG 3.6Å; Y600-M604 HydrophobicContact CE2-SD 4.19Å; Y600-M604 HydrophobicContact CG-CG 4.38Å; Y600-M604 WeakPolarHBondContact O-CB 3.41Å; Y600-M604 VanDerWaalsContact O-CG 3.29Å; Y600-M604 WeakPolarHBondContact O-CG 3.4Å; Y600-M604 PolarHBondContact O-N 3.37Å; Y600-M604 VanDerWaalsContact OH-CE 3.28Å; Y600-M604 WeakPolarHBondContact OH-CE 3.25Å
601	I	96.1	Very high	94.8	Very high	15 Å²	15	50.8 Å²	50.8	8%	0.077	25%	0.248	C	C	.	.	H	α-helix	trans	-59.9	-47.7	177.8	-68.7	160.4	0	0	0	110.8	L537 V554 R555 K597 D599 L603 M604 V605	L537-I601 HydrophobicContact CD2-CG2 4.27Å; V554-I601 HydrophobicContact CG1-CD1 4.21Å; V554-I601 HydrophobicContact CG1-CG1 4.19Å; R555-I601 HydrophobicContact CB-CD1 3.67Å; R555-I601 HydrophobicContact CG-CD1 4.12Å; K597-I601 WeakPolarHBondContact O-CD1 3.34Å; K597-I601 VanDerWaalsContact O-CG1 3.25Å; K597-I601 WeakPolarHBondContact O-CG1 3.34Å; K597-I601 PolarHBondContact O-N 2.93Å; D599-I601 PolarHBondContact O-N 2.74Å; I601-L603 VanDerWaalsContact C-N 3.34Å; I601-L603 PolarHBondContact O-N 2.96Å; I601-M604 PolarHBondContact O-N 2.98Å; I601-V605 WeakPolarHBondContact O-CG2 3.32Å; I601-V605 PolarHBondContact O-N 3.18Å
602	R	96	Very high	94.6	Very high	119 Å²	119	47.7 Å²	47.7	45%	0.449	24%	0.243	S	C	.	.	H	α-helix	trans	-59.2	-44.9	179.3	178.4	-178.7	57.9	71.2	-0.6	111.9	S598 D599 Y600 D606	S598-R602 WeakPolarHBondContact O-CB 3.36Å; S598-R602 PolarHBondContact O-N 2.89Å; S598-R602 VanDerWaalsContact O-N 3.1Å; D599-R602 PolarHBondContact O-N 2.97Å; D599-R602 IonicContact OD1-CZ 2.71Å; D599-R602 IonicContact OD1-NE 2.73Å; D599-R602 PolarHBondContact OD1-NE 3.28Å; D599-R602 IonicContact OD1-NH2 2.97Å; D599-R602 PolarHBondContact OD1-NH2 3.45Å; Y600-R602 PolarHBondContact O-N 3.1Å; R602-D606 PolarHBondContact O-N 2.95Å
603	L	97	Very high	94.4	Very high	29 Å²	29	48.2 Å²	48.2	15%	0.152	25%	0.246	C	C	.	.	H	α-helix	trans	-69.2	-38.2	178.9	-70.5	167.7	0	0	0	111.8	F568 L583 I584 D599 Y600 I601 D606 W607	F568-L603 HydrophobicContact CD1-CD1 3.77Å; F568-L603 HydrophobicContact CE1-CD1 3.84Å; L583-L603 HydrophobicContact CB-CB 4.2Å; L583-L603 HydrophobicContact CB-CD1 4.29Å; L583-L603 HydrophobicContact CD1-CB 4.16Å; I584-L603 HydrophobicContact CG2-CD1 3.63Å; D599-L603 WeakPolarHBondContact O-CB 3.44Å; D599-L603 VanDerWaalsContact O-CG 3.26Å; D599-L603 WeakPolarHBondContact O-CG 3.37Å; D599-L603 PolarHBondContact O-N 3.49Å; Y600-L603 PolarHBondContact O-N 3.06Å; I601-L603 VanDerWaalsContact C-N 3.34Å; I601-L603 PolarHBondContact O-N 2.96Å; L603-D606 PolarHBondContact O-N 2.77Å; L603-W607 WeakPolarHBondContact O-CB 3.47Å; L603-W607 PolarHBondContact O-N 3.44Å
604	M	96.4	Very high	94.3	Very high	10 Å²	10	52.1 Å²	52.1	5%	0.049	26%	0.26	C	S	.	.	H	α-helix	trans	-66.1	-38.2	176.4	-78.1	-61.9	-110.2	0	0	112.8	Y547 L551 L583 Y600 I601 W607 R608	Y547-M604 WeakPolarHBondContact OH-CE 3.32Å; Y547-M604 PolarHBondContact OH-SD 2.78Å; L551-M604 HydrophobicContact CD1-CB 4.18Å; L551-M604 HydrophobicContact CD2-CB 4Å; L551-M604 HydrophobicContact CD2-CG 4.45Å; L583-M604 HydrophobicContact CD1-CG 3.77Å; L583-M604 HydrophobicContact CD1-SD 3.55Å; L583-M604 VanDerWaalsContact CD1-SD 3.55Å; L583-M604 HydrophobicContact CD2-SD 3.98Å; L583-M604 HydrophobicContact CG-SD 4.33Å; Y600-M604 HydrophobicContact CD1-CG 4.38Å; Y600-M604 HydrophobicContact CD2-CG 3.99Å; Y600-M604 HydrophobicContact CE1-CG 4.04Å; Y600-M604 HydrophobicContact CE2-CE 4.12Å; Y600-M604 HydrophobicContact CE2-CG 3.6Å; Y600-M604 HydrophobicContact CE2-SD 4.19Å; Y600-M604 HydrophobicContact CG-CG 4.38Å; Y600-M604 WeakPolarHBondContact O-CB 3.41Å; Y600-M604 VanDerWaalsContact O-CG 3.29Å; Y600-M604 WeakPolarHBondContact O-CG 3.4Å; Y600-M604 PolarHBondContact O-N 3.37Å; Y600-M604 VanDerWaalsContact OH-CE 3.28Å; Y600-M604 WeakPolarHBondContact OH-CE 3.25Å; I601-M604 PolarHBondContact O-N 2.98Å; M604-W607 HydrophobicContact SD-CE3 4.06Å; M604-W607 HydrophobicContact SD-CZ3 4.49Å; M604-R608 WeakPolarHBondContact O-CB 3.26Å; M604-R608 PolarHBondContact O-N 3.03Å
605	V	93.4	Very high	94.3	Very high	7 Å²	7	56.1 Å²	56.1	4%	0.042	28%	0.276	C	S	.	.	H	α-helix	trans	-62.1	-50.7	172.9	171.7	0	0	0	0	110.4	L537 L540 L551 I601 W607 R608 F609	L537-V605 HydrophobicContact CB-CG2 4.18Å; L537-V605 HydrophobicContact CD1-CG2 3.85Å; L540-V605 HydrophobicContact CD2-CG2 4.32Å; L551-V605 HydrophobicContact CD1-CG2 3.83Å; I601-V605 WeakPolarHBondContact O-CG2 3.32Å; I601-V605 PolarHBondContact O-N 3.18Å; V605-W607 PolarHBondContact O-N 3.09Å; V605-R608 PolarHBondContact O-N 3.23Å; V605-F609 HydrophobicContact CG1-CD2 4.02Å; V605-F609 HydrophobicContact CG1-CE2 4.04Å; V605-F609 VanDerWaalsContact O-CD2 3.31Å; V605-F609 WeakPolarHBondContact O-CD2 3.25Å; V605-F609 PolarHBondContact O-N 3.06Å
606	D	93.8	Very high	94.4	Very high	99 Å²	99	47.7 Å²	47.7	53%	0.529	24%	0.237	S	C	.	.	H	α-helix	trans	-61	-46.1	179.2	-174.1	66.9	0	0	0	111.7	R602 L603 R608 F609 N610	R602-D606 PolarHBondContact O-N 2.95Å; L603-D606 PolarHBondContact O-N 2.77Å; D606-R608 PolarHBondContact O-N 3.27Å; D606-F609 PolarHBondContact O-N 3.25Å; D606-N610 WeakPolarHBondContact O-CB 3.46Å; D606-N610 PolarHBondContact O-N 3.01Å; D606-N610 VanDerWaalsContact O-N 3.13Å; D606-N610 PolarHBondContact O-ND2 3.26Å; D606-N610 PolarHBondContact OD1-ND2 3.07Å
607	W	95.1	Very high	94.4	Very high	24 Å²	24	47.3 Å²	47.3	9%	0.091	24%	0.236	C	C	.	.	H	α-helix	trans	-61.5	-44.9	176.6	174	85.4	0	0	0	111.9	Y547 G570 T571 Y572 D581 L583 L603 M604 V605 F609 N610 R611	Y547-W607 WeakPolarHBondContact OH-CZ3 3.2Å; G570-W607 VanDerWaalsContact C-CH2 3.41Å; G570-W607 WeakPolarHBondContact O-CZ2 3.37Å; T571-W607 VanDerWaalsContact N-CH2 3.32Å; T571-W607 WeakPolarHBondContact O-CH2 3.38Å; Y572-W607 HydrophobicContact CD1-CH2 4.37Å; Y572-W607 AromaticContact CD1-CZ2 3.75Å; Y572-W607 HydrophobicContact CD1-CZ2 3.75Å; Y572-W607 HydrophobicContact CG-CZ2 4.46Å; D581-W607 PolarHBondContact OD2-NE1 3.39Å; L583-W607 HydrophobicContact CD2-CB 3.67Å; L583-W607 HydrophobicContact CD2-CD2 4.26Å; L583-W607 HydrophobicContact CD2-CG 3.66Å; L603-W607 WeakPolarHBondContact O-CB 3.47Å; L603-W607 PolarHBondContact O-N 3.44Å; M604-W607 HydrophobicContact SD-CE3 4.06Å; M604-W607 HydrophobicContact SD-CZ3 4.49Å; V605-W607 PolarHBondContact O-N 3.09Å; W607-F609 VanDerWaalsContact C-N 3.27Å; W607-F609 PolarHBondContact O-N 3.24Å; W607-N610 PolarHBondContact O-N 2.91Å; W607-N610 VanDerWaalsContact O-N 3.14Å; W607-R611 HydrophobicContact CD2-CB 4.3Å; W607-R611 VanDerWaalsContact CH2-CD 3.46Å; W607-R611 HydrophobicContact CZ2-CB 4.26Å; W607-R611 VanDerWaalsContact O-CB 3.24Å; W607-R611 WeakPolarHBondContact O-CB 3.24Å; W607-R611 WeakPolarHBondContact O-CG 3.32Å; W607-R611 PolarHBondContact O-N 3.37Å
608	R	92.1	Very high	94.4	Very high	24 Å²	24	50.2 Å²	50.2	9%	0.091	25%	0.25	C	C	.	.	H	α-helix	trans	-62.1	-33.1	-177.8	177.3	57.6	-174	84.3	-0.4	113.1	L540 D544 Y547 M604 V605 D606	L540-R608 HydrophobicContact CD1-CB 4.44Å; L540-R608 HydrophobicContact CD1-CG 3.5Å; L540-R608 HydrophobicContact CD2-CG 4.33Å; D544-R608 IonicContact OD2-CZ 3.31Å; D544-R608 IonicContact OD2-NE 3.49Å; D544-R608 PolarHBondContact OD2-NE 3.47Å; D544-R608 VanDerWaalsContact OD2-NE 3.13Å; D544-R608 IonicContact OD2-NH2 3.62Å; D544-R608 PolarHBondContact OD2-NH2 2.92Å; Y547-R608 HydrophobicContact CD1-CG 4.23Å; Y547-R608 HydrophobicContact CE1-CB 4.15Å; Y547-R608 HydrophobicContact CE1-CG 4.15Å; M604-R608 WeakPolarHBondContact O-CB 3.26Å; M604-R608 PolarHBondContact O-N 3.03Å; V605-R608 PolarHBondContact O-N 3.23Å; D606-R608 PolarHBondContact O-N 3.27Å
609	F	90.4	Very high	94.5	Very high	15 Å²	15	47.6 Å²	47.6	7%	0.066	23%	0.228	C	C	.	.	H	α-helix	trans	-84.1	-22.6	177	-79.3	-64.6	0	0	0	114.2	A525 Q529 L535 D539 L540 T543 V605 D606 W607 V613	A525-F609 HydrophobicContact CB-CD1 4.34Å; A525-F609 HydrophobicContact CB-CE1 3.64Å; A525-F609 HydrophobicContact CB-CZ 4.21Å; Q529-F609 PolarHBondContact NE2-O 2.97Å; L535-F609 HydrophobicContact CB-CD2 3.58Å; L535-F609 HydrophobicContact CB-CE2 3.74Å; L535-F609 HydrophobicContact CB-CG 4.2Å; L535-F609 HydrophobicContact CB-CZ 4.47Å; L535-F609 HydrophobicContact CD1-CB 3.47Å; L535-F609 VanDerWaalsContact CD1-CB 3.47Å; L535-F609 HydrophobicContact CD1-CD1 3.79Å; L535-F609 HydrophobicContact CD1-CD2 3.72Å; L535-F609 HydrophobicContact CD1-CE1 4.42Å; L535-F609 HydrophobicContact CD1-CE2 4.35Å; L535-F609 HydrophobicContact CD1-CG 3.4Å; L535-F609 HydrophobicContact CD2-CE2 4.5Å; L535-F609 HydrophobicContact CD2-CZ 4.44Å; L535-F609 HydrophobicContact CG-CD2 4.16Å; L535-F609 HydrophobicContact CG-CE2 4.41Å; L535-F609 HydrophobicContact CG-CG 4.29Å; D539-F609 HydrophobicContact CB-CE2 4.19Å; D539-F609 HydrophobicContact CB-CZ 3.83Å; L540-F609 HydrophobicContact CB-CE2 3.98Å; L540-F609 HydrophobicContact CB-CZ 4.05Å; L540-F609 HydrophobicContact CD1-CE2 4.36Å; L540-F609 HydrophobicContact CD1-CZ 4.23Å; T543-F609 HydrophobicContact CG2-CE1 4.12Å; V605-F609 HydrophobicContact CG1-CD2 4.02Å; V605-F609 HydrophobicContact CG1-CE2 4.04Å; V605-F609 VanDerWaalsContact O-CD2 3.31Å; V605-F609 WeakPolarHBondContact O-CD2 3.25Å; V605-F609 PolarHBondContact O-N 3.06Å; D606-F609 PolarHBondContact O-N 3.25Å; W607-F609 VanDerWaalsContact C-N 3.27Å; W607-F609 PolarHBondContact O-N 3.24Å; F609-V613 WeakPolarHBondContact O-CG2 3.39Å
610	N	92.6	Very high	94.5	Very high	51 Å²	51	44 Å²	44	27%	0.273	21%	0.209	S	C	.	.	H	α-helix	trans	-104.6	-21.1	-176.5	-71.1	-61.5	0	0	0	114.3	D606 W607 G612 V613 K614	D606-N610 WeakPolarHBondContact O-CB 3.46Å; D606-N610 PolarHBondContact O-N 3.01Å; D606-N610 VanDerWaalsContact O-N 3.13Å; D606-N610 PolarHBondContact O-ND2 3.26Å; D606-N610 PolarHBondContact OD1-ND2 3.07Å; W607-N610 PolarHBondContact O-N 2.91Å; W607-N610 VanDerWaalsContact O-N 3.14Å; N610-G612 PolarHBondContact O-N 2.61Å; N610-V613 PolarHBondContact O-N 3.24Å; N610-K614 PolarHBondContact O-N 3.36Å
611	R	91.2	Very high	94.4	Very high	48 Å²	48	45.2 Å²	45.2	18%	0.181	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	126	-176.2	68.8	-179.4	-168.9	179	6	111.2	Y572 W607 V613	Y572-R611 VanDerWaalsContact CB-NH1 3.28Å; Y572-R611 HydrophobicContact CE1-CB 4.47Å; W607-R611 HydrophobicContact CD2-CB 4.3Å; W607-R611 VanDerWaalsContact CH2-CD 3.46Å; W607-R611 HydrophobicContact CZ2-CB 4.26Å; W607-R611 VanDerWaalsContact O-CB 3.24Å; W607-R611 WeakPolarHBondContact O-CB 3.24Å; W607-R611 WeakPolarHBondContact O-CG 3.32Å; W607-R611 PolarHBondContact O-N 3.37Å; R611-V613 PolarHBondContact O-N 3.49Å
612	G	90	Very high	94.5	Very high	30 Å²	30	49 Å²	49	31%	0.309	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.3	-4.5	179.1	0	0	0	0	0	117	N610 Q616	N610-G612 PolarHBondContact O-N 2.61Å; G612-Q616 PolarHBondContact O-NE2 3.03Å; G612-Q616 PolarHBondContact O-OE1 2.8Å
613	V	93.1	Very high	94.5	Very high	12 Å²	12	43.3 Å²	43.3	7%	0.073	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.9	-9	-173.8	-60.1	0	0	0	0	114.7	V487 P489 F609 N610 R611 K615 Q616 T617	V487-V613 HydrophobicContact CB-CB 4.21Å; V487-V613 HydrophobicContact CB-CG1 4.03Å; V487-V613 HydrophobicContact CG1-CB 3.96Å; V487-V613 HydrophobicContact CG1-CG1 3.82Å; V487-V613 WeakPolarHBondContact O-CG1 3.34Å; P489-V613 HydrophobicContact CB-CG1 4.24Å; P489-V613 HydrophobicContact CG-CG1 3.86Å; F609-V613 WeakPolarHBondContact O-CG2 3.39Å; N610-V613 PolarHBondContact O-N 3.24Å; R611-V613 PolarHBondContact O-N 3.49Å; V613-K615 PolarHBondContact O-N 3.11Å; V613-Q616 WeakPolarHBondContact O-CB 3.47Å; V613-Q616 PolarHBondContact O-N 2.82Å; V613-Q616 VanDerWaalsContact O-N 3.15Å; V613-Q616 PolarHBondContact O-OE1 3.43Å; V613-Q616 VanDerWaalsContact O-OE1 3.12Å; V613-T617 PolarHBondContact O-N 2.97Å; V613-T617 PolarHBondContact O-OG1 3.48Å
614	K	92.8	Very high	94.5	Very high	124 Å²	124	42 Å²	42	54%	0.539	20%	0.202	S	C	.	.	H	α-helix	trans	-51.7	-49	-175	-174.9	176.7	179.9	177	0	113.9	N610 T617 E618	N610-K614 PolarHBondContact O-N 3.36Å; K614-T617 PolarHBondContact O-N 3.32Å; K614-E618 WeakPolarHBondContact CE-OE1 3.26Å; K614-E618 WeakPolarHBondContact O-CG 3.37Å; K614-E618 PolarHBondContact O-N 3Å
615	K	95.7	Very high	94.5	Very high	149 Å²	149	43.3 Å²	43.3	65%	0.648	21%	0.208	S	C	*	.	H	α-helix	trans	-67	-39	-178.1	-66.8	-177.3	-178.8	176.8	0	111.9	M498 V613 E618 E619	M498-K615 HydrophobicContact CE-CB 4.22Å; M498-K615 HydrophobicContact SD-CB 4.02Å; V613-K615 PolarHBondContact O-N 3.11Å; K615-E618 PolarHBondContact O-N 2.94Å; K615-E619 PolarHBondContact O-N 3.4Å; K615-E619 VanDerWaalsContact O-N 3.08Å
616	Q	96.5	Very high	94.7	Very high	11 Å²	11	44.4 Å²	44.4	5%	0.051	21%	0.212	C	C	.	.	H	α-helix	trans	-59.8	-50.6	176	-62.8	78.6	-21.1	0	0	109.9	V487 S491 M498 F501 G612 V613 E618 E619 I620	V487-Q616 HydrophobicContact CG1-CB 3.57Å; V487-Q616 HydrophobicContact CG1-CG 3.84Å; S491-Q616 WeakPolarHBondContact OG-CG 3.41Å; S491-Q616 PolarHBondContact OG-NE2 2.8Å; M498-Q616 HydrophobicContact CE-CB 4.21Å; M498-Q616 HydrophobicContact CE-CG 3.52Å; F501-Q616 HydrophobicContact CD1-CB 4.35Å; F501-Q616 HydrophobicContact CD2-CB 3.58Å; F501-Q616 HydrophobicContact CD2-CG 3.54Å; F501-Q616 HydrophobicContact CE1-CB 4.32Å; F501-Q616 HydrophobicContact CE2-CB 3.59Å; F501-Q616 HydrophobicContact CE2-CG 3.16Å; F501-Q616 HydrophobicContact CG-CB 4Å; F501-Q616 HydrophobicContact CG-CG 4.43Å; F501-Q616 HydrophobicContact CZ-CB 3.95Å; F501-Q616 HydrophobicContact CZ-CG 3.76Å; G612-Q616 PolarHBondContact O-NE2 3.03Å; G612-Q616 PolarHBondContact O-OE1 2.8Å; V613-Q616 WeakPolarHBondContact O-CB 3.47Å; V613-Q616 PolarHBondContact O-N 2.82Å; V613-Q616 VanDerWaalsContact O-N 3.15Å; V613-Q616 PolarHBondContact O-OE1 3.43Å; V613-Q616 VanDerWaalsContact O-OE1 3.12Å; Q616-E618 VanDerWaalsContact C-N 3.32Å; Q616-E618 PolarHBondContact O-N 3.1Å; Q616-E619 PolarHBondContact O-N 3.03Å; Q616-I620 WeakPolarHBondContact O-CG1 3.5Å; Q616-I620 PolarHBondContact O-N 3.34Å
617	T	94.8	Very high	94.8	Very high	24 Å²	24	39.7 Å²	39.7	15%	0.147	19%	0.187	C	C	.	.	H	α-helix	trans	-62.5	-37.9	178.7	-55.3	0	0	0	0	112	Q529 V613 K614 I620 H621	Q529-T617 HydrophobicContact CB-CG2 4.15Å; V613-T617 PolarHBondContact O-N 2.97Å; V613-T617 PolarHBondContact O-OG1 3.48Å; K614-T617 PolarHBondContact O-N 3.32Å; T617-I620 PolarHBondContact O-N 3.42Å; T617-H621 WeakPolarHBondContact O-CB 3.29Å; T617-H621 PolarHBondContact O-N 2.85Å
618	E	96.1	Very high	94.9	Very high	85 Å²	85	38.6 Å²	38.6	40%	0.397	18%	0.183	S	C	.	.	H	α-helix	trans	-62.2	-40.3	174	-74.9	170.9	-170.2	0	0	112.6	K614 K615 Q616 H621 K622	K614-E618 WeakPolarHBondContact CE-OE1 3.26Å; K614-E618 WeakPolarHBondContact O-CG 3.37Å; K614-E618 PolarHBondContact O-N 3Å; K615-E618 PolarHBondContact O-N 2.94Å; Q616-E618 VanDerWaalsContact C-N 3.32Å; Q616-E618 PolarHBondContact O-N 3.1Å; E618-H621 PolarHBondContact O-N 2.92Å; E618-K622 VanDerWaalsContact O-CG 3.3Å; E618-K622 WeakPolarHBondContact O-CG 3.13Å; E618-K622 PolarHBondContact O-N 2.78Å
619	E	97.7	Very high	94.9	Very high	31 Å²	31	40 Å²	40	15%	0.145	19%	0.192	C	C	.	.	H	α-helix	trans	-67.9	-40.6	175.6	-71.2	-55.3	126.2	0	0	112.3	M498 F501 R502 K615 Q616 H621 K622 G623	M498-E619 HydrophobicContact CB-CG 4.43Å; M498-E619 HydrophobicContact SD-CG 3.99Å; F501-E619 HydrophobicContact CB-CB 3.94Å; R502-E619 WeakPolarHBondContact CA-O 3.39Å; R502-E619 HydrophobicContact CB-CB 4.25Å; K615-E619 PolarHBondContact O-N 3.4Å; K615-E619 VanDerWaalsContact O-N 3.08Å; Q616-E619 PolarHBondContact O-N 3.03Å; E619-H621 VanDerWaalsContact C-N 3.34Å; E619-H621 PolarHBondContact O-N 3.04Å; E619-K622 PolarHBondContact O-N 3.25Å; E619-K622 IonicContact OE1-NZ 3.14Å; E619-K622 PolarHBondContact OE1-NZ 3.39Å; E619-G623 PolarHBondContact O-N 3.07Å
620	I	96.6	Very high	95	Very high	4 Å²	4	41.8 Å²	41.8	2%	0.021	21%	0.206	C	C	.	.	H	α-helix	trans	-57.7	-49.8	172.1	-63.2	172.6	0	0	0	109.8	V487 F501 G505 F526 Q616 T617 K622 G623 I624	V487-I620 HydrophobicContact CG2-CD1 4Å; F501-I620 HydrophobicContact CB-CG1 3.91Å; F501-I620 HydrophobicContact CD1-CD1 3.73Å; F501-I620 HydrophobicContact CD1-CG1 3.84Å; F501-I620 HydrophobicContact CE1-CD1 4.34Å; F501-I620 HydrophobicContact CG-CG1 4.26Å; F501-I620 WeakPolarHBondContact O-CA 3.19Å; G505-I620 VanDerWaalsContact CA-O 3.23Å; G505-I620 WeakPolarHBondContact CA-O 3.47Å; F526-I620 HydrophobicContact CE2-CD1 3.78Å; F526-I620 HydrophobicContact CZ-CD1 3.93Å; F526-I620 HydrophobicContact CZ-CG2 4.22Å; Q616-I620 WeakPolarHBondContact O-CG1 3.5Å; Q616-I620 PolarHBondContact O-N 3.34Å; T617-I620 PolarHBondContact O-N 3.42Å; I620-K622 PolarHBondContact O-N 2.78Å; I620-G623 PolarHBondContact O-N 3.04Å; I620-G623 VanDerWaalsContact O-N 3.16Å; I620-I624 HydrophobicContact CG2-CD1 3.9Å; I620-I624 HydrophobicContact CG2-CG1 4.42Å; I620-I624 WeakPolarHBondContact O-CG1 3.27Å; I620-I624 PolarHBondContact O-N 2.83Å
621	H	95.9	Very high	94.9	Very high	39 Å²	39	45.1 Å²	45.1	18%	0.181	22%	0.22	C	C	.	.	H	α-helix	trans	-57.6	-48.4	178.7	177.9	-73	0	0	0	111.1	K532 T617 E618 E619 G623 I624 F625	K532-H621 WeakPolarHBondContact CE-NE2 3.33Å; K532-H621 PolarHBondContact NZ-CE1 3.15Å; K532-H621 PolarHBondContact NZ-NE2 3.33Å; T617-H621 WeakPolarHBondContact O-CB 3.29Å; T617-H621 PolarHBondContact O-N 2.85Å; E618-H621 PolarHBondContact O-N 2.92Å; E619-H621 VanDerWaalsContact C-N 3.34Å; E619-H621 PolarHBondContact O-N 3.04Å; H621-G623 VanDerWaalsContact C-N 3.32Å; H621-G623 PolarHBondContact O-N 2.97Å; H621-I624 PolarHBondContact O-N 3.3Å; H621-F625 AromaticContact CD2-CD2 3.66Å; H621-F625 AromaticContact CD2-CE2 3.26Å; H621-F625 WeakPolarHBondContact CD2-CE2 3.47Å; H621-F625 AromaticContact CE1-CD2 3.17Å; H621-F625 WeakPolarHBondContact CE1-CD2 3.36Å; H621-F625 AromaticContact CE1-CE2 3.51Å; H621-F625 AromaticContact CG-CD2 3.76Å; H621-F625 AromaticContact CG-CE2 3.79Å; H621-F625 AromaticContact ND1-CD2 3.51Å; H621-F625 AromaticContact ND1-CE2 3.96Å; H621-F625 AromaticContact NE2-CD2 3.29Å; H621-F625 VanDerWaalsContact NE2-CD2 3.29Å; H621-F625 WeakPolarHBondContact NE2-CD2 3.42Å; H621-F625 AromaticContact NE2-CE2 3.07Å; H621-F625 WeakPolarHBondContact NE2-CE2 3.29Å; H621-F625 WeakPolarHBondContact O-CD2 3.32Å; H621-F625 PolarHBondContact O-N 3.47Å; H621-F625 VanDerWaalsContact O-N 3.15Å
622	K	96.9	Very high	95	Very high	94 Å²	94	44.3 Å²	44.3	41%	0.409	22%	0.216	S	C	.	.	H	α-helix	trans	-55.5	-46.9	175.6	-72.6	170.2	-166.4	168.7	0	111.6	E618 E619 I620 I624 F625 E626	E618-K622 VanDerWaalsContact O-CG 3.3Å; E618-K622 WeakPolarHBondContact O-CG 3.13Å; E618-K622 PolarHBondContact O-N 2.78Å; E619-K622 PolarHBondContact O-N 3.25Å; E619-K622 IonicContact OE1-NZ 3.14Å; E619-K622 PolarHBondContact OE1-NZ 3.39Å; I620-K622 PolarHBondContact O-N 2.78Å; K622-I624 PolarHBondContact O-N 2.85Å; K622-F625 PolarHBondContact O-N 3.16Å; K622-E626 VanDerWaalsContact O-CG 3.28Å; K622-E626 WeakPolarHBondContact O-CG 3.44Å; K622-E626 PolarHBondContact O-N 3.11Å
623	G	97.5	Very high	94.9	Very high	0 Å²	0	43 Å²	43	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-60.3	-43.7	179	0	0	0	0	0	113.5	R502 G505 R506 E619 I620 H621 E626	R502-G623 WeakPolarHBondContact O-CA 2.93Å; G505-G623 CarbonylContact O-C 3.53Å; R506-G623 WeakPolarHBondContact CA-O 3.46Å; R506-G623 PolarHBondContact N-O 3.42Å; E619-G623 PolarHBondContact O-N 3.07Å; I620-G623 PolarHBondContact O-N 3.04Å; I620-G623 VanDerWaalsContact O-N 3.16Å; H621-G623 VanDerWaalsContact C-N 3.32Å; H621-G623 PolarHBondContact O-N 2.97Å; G623-E626 PolarHBondContact O-N 3.46Å
624	I	96.9	Very high	94.5	Very high	0 Å²	0	49 Å²	49	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-60.7	-48.9	179.1	-67.3	171.3	0	0	0	110.3	G505 I508 I530 I620 H621 K622 E626 V627 L628 L633	G505-I624 VanDerWaalsContact C-N 3.29Å; G505-I624 VanDerWaalsContact O-CA 3.25Å; G505-I624 WeakPolarHBondContact O-CA 3.25Å; G505-I624 VanDerWaalsContact O-CG1 3.22Å; G505-I624 WeakPolarHBondContact O-CG1 3.47Å; G505-I624 PolarHBondContact O-N 3.04Å; I508-I624 HydrophobicContact CB-CD1 4.44Å; I508-I624 HydrophobicContact CB-CG1 4.2Å; I508-I624 HydrophobicContact CG2-CD1 4.02Å; I508-I624 HydrophobicContact CG2-CG1 4.13Å; I530-I624 HydrophobicContact CB-CD1 4.43Å; I530-I624 HydrophobicContact CD1-CD1 3.98Å; I530-I624 HydrophobicContact CG1-CD1 3.84Å; I530-I624 HydrophobicContact CG2-CD1 3.81Å; I620-I624 HydrophobicContact CG2-CD1 3.9Å; I620-I624 HydrophobicContact CG2-CG1 4.42Å; I620-I624 WeakPolarHBondContact O-CG1 3.27Å; I620-I624 PolarHBondContact O-N 2.83Å; H621-I624 PolarHBondContact O-N 3.3Å; K622-I624 PolarHBondContact O-N 2.85Å; I624-E626 VanDerWaalsContact C-N 3.32Å; I624-E626 PolarHBondContact O-N 2.89Å; I624-V627 PolarHBondContact O-N 3.23Å; I624-L628 HydrophobicContact CG2-CD1 4.13Å; I624-L628 PolarHBondContact O-N 3.34Å; I624-L633 HydrophobicContact CG2-CD1 4.38Å
625	F	96.4	Very high	93.8	Very high	38 Å²	38	46.7 Å²	46.7	17%	0.167	22%	0.223	C	C	.	.	H	α-helix	trans	-86	-0.9	-173.4	-60.4	-63	0	0	0	114.5	H621 K622 V627 L628 P630 L633	H621-F625 AromaticContact CD2-CD2 3.66Å; H621-F625 AromaticContact CD2-CE2 3.26Å; H621-F625 WeakPolarHBondContact CD2-CE2 3.47Å; H621-F625 AromaticContact CE1-CD2 3.17Å; H621-F625 WeakPolarHBondContact CE1-CD2 3.36Å; H621-F625 AromaticContact CE1-CE2 3.51Å; H621-F625 AromaticContact CG-CD2 3.76Å; H621-F625 AromaticContact CG-CE2 3.79Å; H621-F625 AromaticContact ND1-CD2 3.51Å; H621-F625 AromaticContact ND1-CE2 3.96Å; H621-F625 AromaticContact NE2-CD2 3.29Å; H621-F625 VanDerWaalsContact NE2-CD2 3.29Å; H621-F625 WeakPolarHBondContact NE2-CD2 3.42Å; H621-F625 AromaticContact NE2-CE2 3.07Å; H621-F625 WeakPolarHBondContact NE2-CE2 3.29Å; H621-F625 WeakPolarHBondContact O-CD2 3.32Å; H621-F625 PolarHBondContact O-N 3.47Å; H621-F625 VanDerWaalsContact O-N 3.15Å; K622-F625 PolarHBondContact O-N 3.16Å; F625-V627 VanDerWaalsContact C-N 3.29Å; F625-L628 CarbonylContact C-O 3.44Å; F625-L628 VanDerWaalsContact CA-O 3.3Å; F625-L628 WeakPolarHBondContact CA-O 3.48Å; F625-L628 HydrophobicContact CD1-CB 4.44Å; F625-P630 HydrophobicContact CB-CG 4.2Å; F625-P630 HydrophobicContact CD1-CB 4.01Å; F625-P630 HydrophobicContact CD1-CG 3.56Å; F625-P630 VanDerWaalsContact CE1-CA 3.49Å; F625-P630 HydrophobicContact CE1-CB 4.02Å; F625-P630 HydrophobicContact CE1-CG 4.09Å; F625-P630 HydrophobicContact CG-CG 3.85Å; F625-L633 HydrophobicContact CE1-CD1 3.99Å; F625-L633 HydrophobicContact CZ-CD1 4.25Å
626	E	96.6	Very high	93	Very high	30 Å²	30	39.6 Å²	39.6	14%	0.14	19%	0.192	C	C	.	.	H	α-helix	trans	-69.9	-31.1	158.3	-78.7	166.8	-159.4	0	0	111.3	S434 R502 R506 K622 G623 I624	S434-E626 VanDerWaalsContact CB-O 3.31Å; S434-E626 WeakPolarHBondContact CB-O 3.36Å; R502-E626 IonicContact CZ-OE1 3.39Å; R502-E626 IonicContact NE-OE1 2.78Å; R502-E626 PolarHBondContact NE-OE1 3.35Å; R502-E626 IonicContact NE-OE2 3.17Å; R502-E626 IonicContact NH2-OE1 3.4Å; R502-E626 PolarHBondContact NH2-OE1 3.48Å; R502-E626 IonicContact NH2-OE2 2.63Å; R506-E626 IonicContact CZ-OE2 2.69Å; R506-E626 IonicContact NE-OE2 2.78Å; R506-E626 PolarHBondContact NE-OE2 2.78Å; R506-E626 IonicContact NH2-OE2 3.52Å; R506-E626 PolarHBondContact NH2-OE2 3.13Å; K622-E626 VanDerWaalsContact O-CG 3.28Å; K622-E626 WeakPolarHBondContact O-CG 3.44Å; K622-E626 PolarHBondContact O-N 3.11Å; G623-E626 PolarHBondContact O-N 3.46Å; I624-E626 VanDerWaalsContact C-N 3.32Å; I624-E626 PolarHBondContact O-N 2.89Å
627	V	96.8	Very high	91.9	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-92.7	-42	179.4	-172.1	0	0	0	0	111.2	L437 R438 M510 F513 I624 F625	L437-V627 HydrophobicContact CB-CG2 4.18Å; L437-V627 HydrophobicContact CD1-CG2 3.73Å; R438-V627 VanDerWaalsContact CZ-O 3.25Å; R438-V627 PolarHBondContact NE-O 2.94Å; R438-V627 PolarHBondContact NH2-O 3.24Å; M510-V627 HydrophobicContact CG-CG1 4.43Å; M510-V627 HydrophobicContact CG-CG2 4.26Å; F513-V627 HydrophobicContact CB-CG1 4Å; F513-V627 HydrophobicContact CG-CG1 4.32Å; I624-V627 PolarHBondContact O-N 3.23Å; F625-V627 VanDerWaalsContact C-N 3.29Å
628	L	95.7	Very high	90.9	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.005	20%	0.197	C	C	.	.	S	Bend	trans	-108.8	152.4	-175	-58.5	177.4	0	0	0	112.8	F399 L512 F513 I624 F625 W632 L633	F399-L628 HydrophobicContact CZ-CD2 4.35Å; L512-L628 HydrophobicContact CB-CD1 3.82Å; L512-L628 HydrophobicContact CD1-CD1 3.7Å; L512-L628 HydrophobicContact CG-CD1 4.42Å; F513-L628 HydrophobicContact CB-CD2 3.82Å; F513-L628 HydrophobicContact CD2-CD2 3.91Å; F513-L628 HydrophobicContact CG-CD2 4.38Å; I624-L628 HydrophobicContact CG2-CD1 4.13Å; I624-L628 PolarHBondContact O-N 3.34Å; F625-L628 CarbonylContact C-O 3.44Å; F625-L628 VanDerWaalsContact CA-O 3.3Å; F625-L628 WeakPolarHBondContact CA-O 3.48Å; F625-L628 HydrophobicContact CD1-CB 4.44Å; L628-W632 HydrophobicContact CB-CE3 4.37Å; L628-W632 HydrophobicContact CD2-CE3 4.08Å; L628-W632 HydrophobicContact CD2-CZ3 4.14Å; L628-L633 HydrophobicContact CD1-CD1 3.96Å; L628-L633 HydrophobicContact CD1-CD2 4.38Å; L628-L633 HydrophobicContact CD1-CG 4.3Å
629	N	93.5	Very high	89.5	Confident	53 Å²	53	43.3 Å²	43.3	28%	0.283	20%	0.203	S	C	.	.			trans	-78.4	129.1	162.7	-178.8	-7.5	0	0	0	108.9	E631 W632	N629-E631 PolarHBondContact ND2-OE2 3.49Å; N629-E631 PolarHBondContact O-N 3.15Å; N629-E631 PolarHBondContact OD1-N 3.49Å; N629-W632 HydrophobicContact CB-CD2 3.75Å; N629-W632 HydrophobicContact CB-CE3 4.3Å; N629-W632 HydrophobicContact CB-CG 4.04Å; N629-W632 HydrophobicContact CB-CH2 4.4Å; N629-W632 HydrophobicContact CB-CZ2 3.89Å; N629-W632 WeakPolarHBondContact O-CB 3.37Å; N629-W632 PolarHBondContact O-N 3.01Å
630	P	91.8	Very high	88.6	Confident	54 Å²	54	41.9 Å²	41.9	35%	0.351	20%	0.196	S	C	.	.	G	3₁₀ helix	trans	-45.4	-43	175.3	-29.8	33.3	0	0	0	115.3	F625 W632 L633 E634	F625-P630 HydrophobicContact CB-CG 4.2Å; F625-P630 HydrophobicContact CD1-CB 4.01Å; F625-P630 HydrophobicContact CD1-CG 3.56Å; F625-P630 VanDerWaalsContact CE1-CA 3.49Å; F625-P630 HydrophobicContact CE1-CB 4.02Å; F625-P630 HydrophobicContact CE1-CG 4.09Å; F625-P630 HydrophobicContact CG-CG 3.85Å; P630-W632 PolarHBondContact O-N 2.76Å; P630-L633 PolarHBondContact O-N 2.91Å; P630-E634 PolarHBondContact O-N 3.09Å
631	E	90.2	Very high	88	Confident	121 Å²	121	41.8 Å²	41.8	57%	0.565	20%	0.196	S	C	*	.	G	3₁₀ helix	trans	-57.6	-25.5	-177.7	-64	171.4	166.2	0	0	113.1	N629 L633	N629-E631 PolarHBondContact ND2-OE2 3.49Å; N629-E631 PolarHBondContact O-N 3.15Å; N629-E631 PolarHBondContact OD1-N 3.49Å; E631-L633 VanDerWaalsContact C-N 3.3Å; E631-L633 PolarHBondContact O-N 3.25Å
632	W	92.7	Very high	87.3	Confident	30 Å²	30	43 Å²	43	11%	0.114	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-72.6	-25.7	-179.7	-58.3	-11.5	0	0	0	112.6	F399 C402 A406 F513 L628 N629 P630	F399-W632 HydrophobicContact CD2-CB 3.85Å; F399-W632 HydrophobicContact CE2-CB 3.97Å; C402-W632 HydrophobicContact CB-CD2 3.98Å; C402-W632 HydrophobicContact CB-CG 4.18Å; C402-W632 HydrophobicContact CB-CZ2 4.35Å; A406-W632 HydrophobicContact CB-CH2 3.49Å; A406-W632 VanDerWaalsContact CB-CH2 3.49Å; A406-W632 HydrophobicContact CB-CZ2 4.12Å; A406-W632 HydrophobicContact CB-CZ3 4.4Å; F513-W632 HydrophobicContact CD2-CZ3 4.27Å; F513-W632 HydrophobicContact CE2-CZ3 4.25Å; L628-W632 HydrophobicContact CB-CE3 4.37Å; L628-W632 HydrophobicContact CD2-CE3 4.08Å; L628-W632 HydrophobicContact CD2-CZ3 4.14Å; N629-W632 HydrophobicContact CB-CD2 3.75Å; N629-W632 HydrophobicContact CB-CE3 4.3Å; N629-W632 HydrophobicContact CB-CG 4.04Å; N629-W632 HydrophobicContact CB-CH2 4.4Å; N629-W632 HydrophobicContact CB-CZ2 3.89Å; N629-W632 WeakPolarHBondContact O-CB 3.37Å; N629-W632 PolarHBondContact O-N 3.01Å; P630-W632 PolarHBondContact O-N 2.76Å
633	L	88.6	Confident	86.1	Confident	2 Å²	2	40.6 Å²	40.6	1%	0.01	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.2	-18.7	179.8	-64.2	-173.3	0	0	0	113.4	F399 L512 I530 L531 I624 F625 L628 P630 E631 L635 F636 L641	F399-L633 HydrophobicContact CD2-CD2 4.23Å; F399-L633 HydrophobicContact CE2-CD2 3.65Å; F399-L633 HydrophobicContact CZ-CD2 4.24Å; L512-L633 HydrophobicContact CD1-CD1 4.15Å; L512-L633 HydrophobicContact CD1-CD2 4.33Å; I530-L633 HydrophobicContact CG2-CD1 4.45Å; L531-L633 HydrophobicContact CD2-CB 4.02Å; L531-L633 WeakPolarHBondContact CD2-O 3.42Å; I624-L633 HydrophobicContact CG2-CD1 4.38Å; F625-L633 HydrophobicContact CE1-CD1 3.99Å; F625-L633 HydrophobicContact CZ-CD1 4.25Å; L628-L633 HydrophobicContact CD1-CD1 3.96Å; L628-L633 HydrophobicContact CD1-CD2 4.38Å; L628-L633 HydrophobicContact CD1-CG 4.3Å; P630-L633 PolarHBondContact O-N 2.91Å; E631-L633 VanDerWaalsContact C-N 3.3Å; E631-L633 PolarHBondContact O-N 3.25Å; L633-L635 PolarHBondContact O-N 3.31Å; L633-L635 VanDerWaalsContact O-N 3.08Å; L633-F636 HydrophobicContact CD2-CD2 4.34Å; L633-F636 PolarHBondContact O-N 3.3Å; L633-L641 HydrophobicContact CD2-CD1 4.21Å
634	E	84.2	Confident	85.4	Confident	139 Å²	139	41 Å²	41	65%	0.65	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-24.4	-178.3	-71	-179.5	179.9	0	0	114	P630 F636	P630-E634 PolarHBondContact O-N 3.09Å; E634-F636 VanDerWaalsContact C-N 3.28Å; E634-F636 PolarHBondContact O-N 3.17Å
635	L	78.7	Confident	84.9	Confident	76 Å²	76	41 Å²	41	40%	0.398	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-24.1	178.2	-61.8	174.7	0	0	0	113.2	K395 Y398 L633	K395-L635 HydrophobicContact CD-CB 4.41Å; K395-L635 VanDerWaalsContact CD-O 3.26Å; K395-L635 WeakPolarHBondContact CD-O 3.4Å; K395-L635 WeakPolarHBondContact CE-O 3.31Å; K395-L635 HydrophobicContact CG-CB 4.25Å; K395-L635 PolarHBondContact NZ-O 3.34Å; Y398-L635 HydrophobicContact CD1-CD1 3.34Å; Y398-L635 HydrophobicContact CE1-CD1 3.54Å; Y398-L635 HydrophobicContact CG-CD1 4.27Å; L633-L635 PolarHBondContact O-N 3.31Å; L633-L635 VanDerWaalsContact O-N 3.08Å
636	F	78.2	Confident	84.1	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	19%	0.194	C	C	.	.			trans	-93.2	145.4	-174.7	-60.7	-75.7	0	0	0	111.5	F392 K395 V396 F399 L531 R533 L633 E634 E640 L644	F392-F636 HydrophobicContact CD2-CD1 4.07Å; F392-F636 HydrophobicContact CD2-CE1 4.05Å; F392-F636 AromaticContact CE2-CD1 3.75Å; F392-F636 HydrophobicContact CE2-CD1 3.75Å; F392-F636 AromaticContact CE2-CE1 3.74Å; F392-F636 HydrophobicContact CE2-CE1 3.74Å; K395-F636 HydrophobicContact CB-CD1 4.11Å; K395-F636 HydrophobicContact CB-CE1 3.52Å; K395-F636 HydrophobicContact CB-CZ 3.92Å; K395-F636 HydrophobicContact CD-CD1 4.25Å; K395-F636 HydrophobicContact CD-CE1 4.46Å; V396-F636 HydrophobicContact CG2-CE1 3.95Å; V396-F636 HydrophobicContact CG2-CZ 4.41Å; F399-F636 HydrophobicContact CB-CE2 3.8Å; F399-F636 HydrophobicContact CB-CZ 3.72Å; F399-F636 AromaticContact CD2-CE2 3.98Å; F399-F636 HydrophobicContact CD2-CE2 3.98Å; F399-F636 AromaticContact CG-CE2 3.93Å; F399-F636 HydrophobicContact CG-CE2 3.93Å; F399-F636 HydrophobicContact CG-CZ 4.17Å; L531-F636 WeakPolarHBondContact CD1-O 3.16Å; R533-F636 PolarHBondContact NH2-O 2.94Å; L633-F636 HydrophobicContact CD2-CD2 4.34Å; L633-F636 PolarHBondContact O-N 3.3Å; E634-F636 VanDerWaalsContact C-N 3.28Å; E634-F636 PolarHBondContact O-N 3.17Å; F636-E640 VanDerWaalsContact CA-OE2 3.24Å; F636-E640 WeakPolarHBondContact CA-OE2 3.33Å; F636-E640 HydrophobicContact CB-CB 4.09Å; F636-E640 HydrophobicContact CD1-CB 3.94Å; F636-L644 HydrophobicContact CD2-CD2 4.36Å; F636-L644 HydrophobicContact CE1-CD2 4.38Å; F636-L644 HydrophobicContact CE2-CD2 3.98Å; F636-L644 HydrophobicContact CZ-CD2 3.98Å
637	D	74.6	Confident	82.9	Confident	32 Å²	32	39 Å²	39	17%	0.171	19%	0.19	C	C	.	.			trans	-85.9	172.4	160	71	42.7	0	0	0	113.6	Y388 L531 R533 R639 E640 L641	Y388-D637 PolarHBondContact OH-OD2 2.9Å; L531-D637 VanDerWaalsContact CD1-C 3.46Å; R533-D637 VanDerWaalsContact CZ-CA 3.46Å; R533-D637 VanDerWaalsContact NH1-CA 3.28Å; D637-R639 PolarHBondContact O-N 2.84Å; D637-R639 WeakPolarHBondContact OD1-CB 3.09Å; D637-R639 PolarHBondContact OD1-N 3.09Å; D637-E640 PolarHBondContact N-OE2 2.72Å; D637-E640 PolarHBondContact O-N 3.03Å; D637-E640 WeakPolarHBondContact OD1-CB 3.33Å; D637-E640 WeakPolarHBondContact OD1-CG 3.44Å; D637-E640 PolarHBondContact OD1-N 3.38Å; D637-L641 WeakPolarHBondContact O-CB 3.32Å; D637-L641 PolarHBondContact O-N 3.23Å
638	E	74.1	Confident	81.3	Confident	29 Å²	29	41.1 Å²	41.1	14%	0.136	20%	0.2	C	C	.	.	H	α-helix	trans	-60.5	-29.4	-176.6	57.7	-84.4	-166.9	0	0	113.6	L524 Y527 K528 L531 R533 E642	L524-E638 HydrophobicContact CD2-CG 4.43Å; Y527-E638 WeakPolarHBondContact CB-O 3.23Å; K528-E638 HydrophobicContact CD-CG 4.34Å; K528-E638 WeakPolarHBondContact CE-OE1 3.27Å; K528-E638 HydrophobicContact CG-CB 3.64Å; K528-E638 HydrophobicContact CG-CG 3.7Å; K528-E638 IonicContact NZ-OE1 2.64Å; L531-E638 HydrophobicContact CD1-CB 4.41Å; R533-E638 IonicContact CZ-OE2 2.96Å; R533-E638 IonicContact NE-OE2 3.96Å; R533-E638 IonicContact NH1-OE2 3.27Å; R533-E638 PolarHBondContact NH1-OE2 3.26Å; E638-E642 WeakPolarHBondContact O-CB 3.32Å; E638-E642 PolarHBondContact O-N 3.08Å; E638-E642 VanDerWaalsContact O-N 3.1Å
639	R	66.8	Low	79.5	Confident	137 Å²	137	45.3 Å²	45.3	52%	0.517	23%	0.228	S	C	.	.	H	α-helix	trans	-82.1	-41.9	178.5	-59.9	176.1	-179.6	179.1	-2	110.5	L524 D637 L641 E642 L643	L524-R639 HydrophobicContact CD1-CG 4.34Å; L524-R639 HydrophobicContact CD2-CG 4Å; D637-R639 PolarHBondContact O-N 2.84Å; D637-R639 WeakPolarHBondContact OD1-CB 3.09Å; D637-R639 PolarHBondContact OD1-N 3.09Å; R639-L641 VanDerWaalsContact C-N 3.28Å; R639-L641 PolarHBondContact O-N 2.86Å; R639-E642 WeakPolarHBondContact O-CB 3.18Å; R639-E642 PolarHBondContact O-N 3.29Å; R639-L643 WeakPolarHBondContact O-CG 3.17Å; R639-L643 PolarHBondContact O-N 3.39Å
640	E	78.2	Confident	78.2	Confident	1 Å²	1	46.3 Å²	46.3	1%	0.005	23%	0.231	C	C	.	.	H	α-helix	trans	-60.5	-39.6	172.5	-73.3	-179.4	146.6	0	0	111.5	Y388 F392 K395 F636 D637 L644	Y388-E640 WeakPolarHBondContact OH-CG 3.13Å; F392-E640 HydrophobicContact CD2-CB 3.75Å; F392-E640 HydrophobicContact CD2-CG 3.43Å; F392-E640 VanDerWaalsContact CD2-CG 3.43Å; F392-E640 WeakPolarHBondContact CD2-OE1 3.39Å; F392-E640 HydrophobicContact CE2-CB 3.4Å; F392-E640 HydrophobicContact CE2-CG 3.63Å; F392-E640 HydrophobicContact CG-CG 4.02Å; F392-E640 HydrophobicContact CZ-CB 4.06Å; F392-E640 HydrophobicContact CZ-CG 4.3Å; F392-E640 WeakPolarHBondContact CZ-O 3.19Å; K395-E640 IonicContact NZ-OE1 2.71Å; K395-E640 PolarHBondContact NZ-OE1 3.08Å; K395-E640 IonicContact NZ-OE2 2.72Å; K395-E640 PolarHBondContact NZ-OE2 2.96Å; F636-E640 VanDerWaalsContact CA-OE2 3.24Å; F636-E640 WeakPolarHBondContact CA-OE2 3.33Å; F636-E640 HydrophobicContact CB-CB 4.09Å; F636-E640 HydrophobicContact CD1-CB 3.94Å; D637-E640 PolarHBondContact N-OE2 2.72Å; D637-E640 PolarHBondContact O-N 3.03Å; D637-E640 WeakPolarHBondContact OD1-CB 3.33Å; D637-E640 WeakPolarHBondContact OD1-CG 3.44Å; D637-E640 PolarHBondContact OD1-N 3.38Å; E640-L644 VanDerWaalsContact O-CB 3.3Å; E640-L644 WeakPolarHBondContact O-CB 3.14Å; E640-L644 PolarHBondContact O-N 3.22Å
641	L	84.2	Confident	77.6	Confident	1 Å²	1	44.2 Å²	44.2	1%	0.005	22%	0.216	C	C	.	.	H	α-helix	trans	-68.3	-42.2	175.7	-179.1	62	0	0	0	111.9	L512 Y527 I530 L531 L633 D637 R639 L644 L645	L512-L641 HydrophobicContact CD1-CD1 4.21Å; L512-L641 HydrophobicContact CD2-CD1 4.11Å; Y527-L641 HydrophobicContact CD1-CB 4.46Å; Y527-L641 HydrophobicContact CD1-CD2 3.98Å; Y527-L641 HydrophobicContact CD1-CG 3.93Å; I530-L641 HydrophobicContact CB-CD2 4.12Å; I530-L641 HydrophobicContact CG2-CD2 3.86Å; L531-L641 HydrophobicContact CD1-CB 4.33Å; L531-L641 HydrophobicContact CD1-CD2 4.12Å; L531-L641 HydrophobicContact CD2-CD2 3.9Å; L531-L641 HydrophobicContact CG-CD2 3.74Å; L633-L641 HydrophobicContact CD2-CD1 4.21Å; D637-L641 WeakPolarHBondContact O-CB 3.32Å; D637-L641 PolarHBondContact O-N 3.23Å; R639-L641 VanDerWaalsContact C-N 3.28Å; R639-L641 PolarHBondContact O-N 2.86Å; L641-L644 PolarHBondContact O-N 3.39Å; L641-L645 WeakPolarHBondContact O-CB 3.46Å; L641-L645 PolarHBondContact O-N 3.32Å
642	E	80.7	Confident	77.3	Confident	64 Å²	64	42.5 Å²	42.5	30%	0.299	21%	0.211	S	C	.	.	H	α-helix	trans	-55.8	-52.2	172.5	176.8	-179.9	-148.3	0	0	110.8	L524 Y527 E638 R639 L644 L645 S646	L524-E642 VanDerWaalsContact CD2-OE2 3.29Å; L524-E642 WeakPolarHBondContact CD2-OE2 3.5Å; Y527-E642 HydrophobicContact CD1-CB 4.49Å; Y527-E642 HydrophobicContact CD2-CB 3.85Å; Y527-E642 HydrophobicContact CD2-CG 4.33Å; Y527-E642 HydrophobicContact CE1-CB 4.25Å; Y527-E642 HydrophobicContact CE2-CB 3.58Å; Y527-E642 HydrophobicContact CE2-CG 3.63Å; Y527-E642 HydrophobicContact CG-CB 4.31Å; E638-E642 WeakPolarHBondContact O-CB 3.32Å; E638-E642 PolarHBondContact O-N 3.08Å; E638-E642 VanDerWaalsContact O-N 3.1Å; R639-E642 WeakPolarHBondContact O-CB 3.18Å; R639-E642 PolarHBondContact O-N 3.29Å; E642-L644 VanDerWaalsContact C-N 3.28Å; E642-L644 PolarHBondContact O-N 2.87Å; E642-L645 PolarHBondContact O-N 2.97Å; E642-L645 VanDerWaalsContact O-N 3.1Å; E642-S646 WeakPolarHBondContact O-CB 3.5Å; E642-S646 PolarHBondContact O-N 2.91Å
643	L	71.5	Confident	77.2	Confident	45 Å²	45	41.6 Å²	41.6	24%	0.236	21%	0.209	C	C	.	.	H	α-helix	trans	-64	-33.1	179.1	-68.7	168.7	0	0	0	112.5	F392 R639 L645 G647 M648 L702	F392-L643 HydrophobicContact CE1-CB 4.4Å; F392-L643 HydrophobicContact CE1-CD1 4.23Å; F392-L643 HydrophobicContact CZ-CB 4.22Å; R639-L643 WeakPolarHBondContact O-CG 3.17Å; R639-L643 PolarHBondContact O-N 3.39Å; L643-L645 VanDerWaalsContact C-N 3.31Å; L643-G647 WeakPolarHBondContact O-CA 3.46Å; L643-G647 PolarHBondContact O-N 2.91Å; L643-M648 HydrophobicContact CD2-SD 4.38Å; L643-L702 HydrophobicContact CB-CD2 3.64Å
644	L	82.3	Confident	77.3	Confident	7 Å²	7	46.9 Å²	46.9	4%	0.037	24%	0.237	C	C	.	.	H	α-helix	trans	-67.5	-31.3	175.4	-175.4	63.3	0	0	0	112.6	V396 F399 L512 F636 E640 L641 E642 L702	V396-L644 HydrophobicContact CG1-CD1 4.41Å; V396-L644 HydrophobicContact CG2-CD1 4.48Å; F399-L644 HydrophobicContact CD1-CD2 4.11Å; F399-L644 HydrophobicContact CE1-CD2 4.1Å; L512-L644 HydrophobicContact CD2-CB 4.48Å; L512-L644 HydrophobicContact CD2-CD2 3.89Å; L512-L644 HydrophobicContact CD2-CG 3.85Å; F636-L644 HydrophobicContact CD2-CD2 4.36Å; F636-L644 HydrophobicContact CE1-CD2 4.38Å; F636-L644 HydrophobicContact CE2-CD2 3.98Å; F636-L644 HydrophobicContact CZ-CD2 3.98Å; E640-L644 VanDerWaalsContact O-CB 3.3Å; E640-L644 WeakPolarHBondContact O-CB 3.14Å; E640-L644 PolarHBondContact O-N 3.22Å; L641-L644 PolarHBondContact O-N 3.39Å; E642-L644 VanDerWaalsContact C-N 3.28Å; E642-L644 PolarHBondContact O-N 2.87Å; L644-L702 HydrophobicContact CD1-CD1 4.15Å
645	L	87.1	Confident	77.6	Confident	1 Å²	1	42 Å²	42	1%	0.005	22%	0.215	C	C	.	.	H	α-helix	trans	-94.3	-39.7	-175.9	-173.6	61.6	0	0	0	113.2	I508 A511 L512 C517 I518 Y527 L641 E642 L643	I508-L645 HydrophobicContact CG2-CD1 4.22Å; I508-L645 HydrophobicContact CG2-CD2 4Å; A511-L645 HydrophobicContact CB-CD1 3.91Å; L512-L645 HydrophobicContact CD2-CB 4.22Å; L512-L645 HydrophobicContact CD2-CD1 4.03Å; L512-L645 HydrophobicContact CG-CD1 3.99Å; C517-L645 CarbonylContact C-O 3.32Å; C517-L645 WeakPolarHBondContact CA-O 3.4Å; I518-L645 HydrophobicContact CD1-CD1 3.85Å; I518-L645 HydrophobicContact CD1-CD2 3.72Å; I518-L645 HydrophobicContact CD1-CG 3.74Å; I518-L645 HydrophobicContact CG1-CD1 3.78Å; I518-L645 HydrophobicContact CG1-CD2 4.16Å; I518-L645 HydrophobicContact CG1-CG 3.62Å; I518-L645 PolarHBondContact N-O 3.45Å; Y527-L645 HydrophobicContact CE1-CB 4.46Å; Y527-L645 HydrophobicContact CE1-CD2 3.79Å; L641-L645 WeakPolarHBondContact O-CB 3.46Å; L641-L645 PolarHBondContact O-N 3.32Å; E642-L645 PolarHBondContact O-N 2.97Å; E642-L645 VanDerWaalsContact O-N 3.1Å; L643-L645 VanDerWaalsContact C-N 3.31Å
646	S	78.6	Confident	78.3	Confident	20 Å²	20	38.4 Å²	38.4	14%	0.14	20%	0.196	C	C	.	.	H	α-helix	trans	-101	-10	-176.6	-56.6	0	0	0	0	113.2	Y527 E642 H699	Y527-S646 PolarHBondContact OH-OG 3.27Å; E642-S646 WeakPolarHBondContact O-CB 3.5Å; E642-S646 PolarHBondContact O-N 2.91Å; S646-H699 PolarHBondContact O-CE1 3.08Å; S646-H699 PolarHBondContact O-ND1 3.07Å
647	G	72.1	Confident	79.2	Confident	6 Å²	6	39.8 Å²	39.8	6%	0.062	20%	0.203	C	C	.	.			trans	70.8	-170.2	-176.8	0	0	0	0	0	113.5	L643 L700	L643-G647 WeakPolarHBondContact O-CA 3.46Å; L643-G647 PolarHBondContact O-N 2.91Å; G647-L700 WeakPolarHBondContact CA-O 3.48Å
648	M	63	Low	80.1	Confident	44 Å²	44	45.4 Å²	45.4	22%	0.217	23%	0.226	C	C	.	.	B	Isolated β-bridge	trans	-74.2	134	180	-63.1	-63.1	-67	0	0	111.2	M382 L643 L700 L702	M382-M648 HydrophobicContact CG-CE 4.32Å; L643-M648 HydrophobicContact CD2-SD 4.38Å; M648-L700 HydrophobicContact CB-CB 4.3Å; M648-L700 PolarHBondContact N-O 3.46Å; M648-L702 HydrophobicContact SD-CD2 4.09Å
649	P	57.9	Low	81	Confident	89 Å²	89	44.8 Å²	44.8	58%	0.578	22%	0.223	S	C	*	.	S	Bend	trans	-74.1	-28	-176.8	28.2	-34.5	0	0	0	113.2	N684	P649-N684 PolarHBondContact O-ND2 2.82Å
650	E	66.9	Low	82.4	Confident	75 Å²	75	38.8 Å²	38.8	35%	0.35	20%	0.202	S	C	.	.	S	Bend	trans	-123.4	142.3	-176.6	-62.2	-154.9	178.8	0	0	112.9	F230	F230-E650 VanDerWaalsContact CB-CD 3.47Å; F230-E650 WeakPolarHBondContact CB-OE1 3.44Å; F230-E650 VanDerWaalsContact CB-OE2 3.28Å; F230-E650 WeakPolarHBondContact CB-OE2 3.4Å; F230-E650 HydrophobicContact CD1-CB 4.23Å; F230-E650 HydrophobicContact CD1-CG 3.92Å; F230-E650 WeakPolarHBondContact CD1-OE2 3.43Å; F230-E650 HydrophobicContact CE1-CB 4.3Å; F230-E650 HydrophobicContact CE1-CG 4.19Å; F230-E650 HydrophobicContact CG-CG 4.36Å; F230-E650 VanDerWaalsContact CG-OE1 3.26Å; F230-E650 WeakPolarHBondContact CG-OE1 3.48Å; F230-E650 WeakPolarHBondContact CG-OE2 3.35Å
651	I	79	Confident	83.2	Confident	10 Å²	10	39.9 Å²	39.9	5%	0.051	21%	0.209	C	C	.	.			trans	-92.6	106.7	179.6	-63.7	173.7	0	0	0	108.7	V653 W656 N684 R687 A688 L691 L700 F705	I651-V653 PolarHBondContact O-N 3.02Å; I651-W656 HydrophobicContact CG2-CE3 3.59Å; I651-W656 HydrophobicContact CG2-CZ3 3.91Å; I651-N684 PolarHBondContact N-OD1 2.8Å; I651-R687 HydrophobicContact CB-CB 4.36Å; I651-R687 HydrophobicContact CD1-CB 3.83Å; I651-R687 HydrophobicContact CG2-CB 4.42Å; I651-A688 HydrophobicContact CD1-CB 4.11Å; I651-L691 HydrophobicContact CD1-CB 4.17Å; I651-L691 HydrophobicContact CD1-CD2 3.8Å; I651-L691 HydrophobicContact CG1-CD2 4.33Å; I651-L700 HydrophobicContact CB-CD1 4.43Å; I651-L700 HydrophobicContact CG1-CD1 4.03Å; I651-L700 HydrophobicContact CG2-CD1 4.38Å; I651-F705 HydrophobicContact CG2-CE2 3.9Å; I651-F705 HydrophobicContact CG2-CZ 3.91Å
652	D	84.3	Confident	83.9	Confident	84 Å²	84	40.9 Å²	40.9	45%	0.449	21%	0.213	S	C	.	.			trans	-70.3	110.5	168.3	-177.5	-12.5	0	0	0	109.6	D654 D655 W656	D652-D654 VanDerWaalsContact C-N 3.33Å; D652-D654 WeakPolarHBondContact OD1-CA 3.41Å; D652-D654 WeakPolarHBondContact OD1-CB 3.37Å; D652-D654 PolarHBondContact OD1-N 3.16Å; D652-D655 HydrophobicContact CB-CB 3.91Å; D652-D655 PolarHBondContact OD1-N 3.17Å; D652-D655 VanDerWaalsContact OD1-N 3.12Å; D652-W656 WeakPolarHBondContact O-CB 3.26Å; D652-W656 PolarHBondContact O-N 2.95Å
653	V	90.8	Very high	84.5	Confident	11 Å²	11	39.8 Å²	39.8	7%	0.067	21%	0.209	C	C	.	.	H	α-helix	trans	-69.6	-32.6	-179.1	-179.2	0	0	0	0	111.5	I651 W656 E657 W676 I679 Q680	I651-V653 PolarHBondContact O-N 3.02Å; V653-W656 WeakPolarHBondContact O-CB 3.25Å; V653-W656 PolarHBondContact O-N 3.41Å; V653-E657 WeakPolarHBondContact O-CB 3.43Å; V653-E657 PolarHBondContact O-N 3.47Å; V653-W676 HydrophobicContact CG1-CE3 4.19Å; V653-W676 HydrophobicContact CG1-CZ3 4.32Å; V653-I679 HydrophobicContact CG1-CG2 3.9Å; V653-I679 HydrophobicContact CG2-CG2 4.03Å; V653-Q680 HydrophobicContact CG1-CG 3.95Å
654	D	90.5	Very high	85.7	Confident	114 Å²	114	44.6 Å²	44.6	61%	0.61	23%	0.228	S	C	*	.	H	α-helix	trans	-71.6	-40.3	179.6	-68.5	-26.2	0	0	0	110.1	D652 W656 K658	D652-D654 VanDerWaalsContact C-N 3.33Å; D652-D654 WeakPolarHBondContact OD1-CA 3.41Å; D652-D654 WeakPolarHBondContact OD1-CB 3.37Å; D652-D654 PolarHBondContact OD1-N 3.16Å; D654-W656 VanDerWaalsContact C-N 3.35Å; D654-K658 WeakPolarHBondContact O-CB 3.28Å; D654-K658 PolarHBondContact O-N 2.86Å
655	D	90.3	Very high	86.4	Confident	36 Å²	36	45 Å²	45	19%	0.193	23%	0.229	C	C	.	.	H	α-helix	trans	-63.7	-40.2	170.8	-173.7	57.8	0	0	0	111.8	D652 K658 N659 G704 F705	D652-D655 HydrophobicContact CB-CB 3.91Å; D652-D655 PolarHBondContact OD1-N 3.17Å; D652-D655 VanDerWaalsContact OD1-N 3.12Å; D655-K658 PolarHBondContact O-N 3.4Å; D655-N659 WeakPolarHBondContact O-CB 3.24Å; D655-N659 PolarHBondContact O-N 3.37Å; D655-N659 VanDerWaalsContact O-N 3.09Å; D655-N659 PolarHBondContact O-ND2 3.07Å; D655-N659 PolarHBondContact OD1-ND2 2.94Å; D655-G704 WeakPolarHBondContact OD2-CA 3.3Å; D655-F705 PolarHBondContact OD2-N 2.85Å
656	W	93.6	Very high	86.8	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-60.1	-52.5	175.8	-165.3	-5.3	0	0	0	111.7	I651 D652 V653 D654 K658 N659 T660 W676 I679 R687 L690 L691 F705 F717	I651-W656 HydrophobicContact CG2-CE3 3.59Å; I651-W656 HydrophobicContact CG2-CZ3 3.91Å; D652-W656 WeakPolarHBondContact O-CB 3.26Å; D652-W656 PolarHBondContact O-N 2.95Å; V653-W656 WeakPolarHBondContact O-CB 3.25Å; V653-W656 PolarHBondContact O-N 3.41Å; D654-W656 VanDerWaalsContact C-N 3.35Å; W656-K658 VanDerWaalsContact C-N 3.33Å; W656-K658 PolarHBondContact O-N 2.95Å; W656-N659 PolarHBondContact O-N 2.85Å; W656-T660 PolarHBondContact O-N 3.42Å; W656-T660 VanDerWaalsContact O-N 3.14Å; W656-T660 PolarHBondContact O-OG1 2.85Å; W656-W676 HydrophobicContact CB-CH2 4.01Å; W656-W676 HydrophobicContact CB-CZ3 4.01Å; W656-W676 AromaticContact CD1-CH2 3.56Å; W656-W676 HydrophobicContact CD2-CH2 4.03Å; W656-W676 HydrophobicContact CD2-CZ3 4.01Å; W656-W676 HydrophobicContact CE3-CZ3 4.43Å; W656-W676 AromaticContact CG-CH2 3.58Å; W656-W676 HydrophobicContact CG-CH2 3.58Å; W656-W676 AromaticContact CG-CZ3 3.81Å; W656-W676 HydrophobicContact CG-CZ3 3.81Å; W656-W676 AromaticContact NE1-CH2 3.95Å; W656-I679 HydrophobicContact CE3-CG2 3.9Å; W656-I679 HydrophobicContact CZ3-CG2 3.83Å; W656-R687 HydrophobicContact CZ3-CB 4.34Å; W656-L690 HydrophobicContact CH2-CB 4.41Å; W656-L690 HydrophobicContact CH2-CD2 3.78Å; W656-L690 HydrophobicContact CH2-CG 4Å; W656-L690 HydrophobicContact CZ2-CD2 4.31Å; W656-L690 HydrophobicContact CZ2-CG 4.47Å; W656-L691 HydrophobicContact CH2-CB 4.39Å; W656-L691 HydrophobicContact CZ2-CD1 4.33Å; W656-F705 HydrophobicContact CB-CD1 4.16Å; W656-F705 HydrophobicContact CB-CD2 3.63Å; W656-F705 HydrophobicContact CB-CE1 3.98Å; W656-F705 HydrophobicContact CB-CE2 3.36Å; W656-F705 HydrophobicContact CB-CG 4.03Å; W656-F705 HydrophobicContact CB-CZ 3.56Å; W656-F705 AromaticContact CD1-CD1 3.26Å; W656-F705 AromaticContact CD1-CE1 3.07Å; W656-F705 AromaticContact CD1-CG 3.94Å; W656-F705 AromaticContact CD1-CZ 3.56Å; W656-F705 HydrophobicContact CD2-CD1 4.39Å; W656-F705 AromaticContact CD2-CE1 3.49Å; W656-F705 HydrophobicContact CD2-CE1 3.49Å; W656-F705 VanDerWaalsContact CD2-CE1 3.49Å; W656-F705 HydrophobicContact CD2-CE2 4.01Å; W656-F705 AromaticContact CD2-CZ 3.25Å; W656-F705 HydrophobicContact CD2-CZ 3.25Å; W656-F705 AromaticContact CE2-CE1 3.48Å; W656-F705 VanDerWaalsContact CE2-CE1 3.48Å; W656-F705 AromaticContact CE2-CZ 3.71Å; W656-F705 HydrophobicContact CE3-CE1 4.34Å; W656-F705 HydrophobicContact CE3-CE2 4.38Å; W656-F705 AromaticContact CE3-CZ 3.71Å; W656-F705 HydrophobicContact CE3-CZ 3.71Å; W656-F705 AromaticContact CG-CD1 3.7Å; W656-F705 HydrophobicContact CG-CD1 3.7Å; W656-F705 HydrophobicContact CG-CD2 4.03Å; W656-F705 AromaticContact CG-CE1 3.26Å; W656-F705 HydrophobicContact CG-CE1 3.26Å; W656-F705 AromaticContact CG-CE2 3.58Å; W656-F705 HydrophobicContact CG-CE2 3.58Å; W656-F705 HydrophobicContact CG-CG 4.09Å; W656-F705 AromaticContact CG-CZ 3.17Å; W656-F705 HydrophobicContact CG-CZ 3.17Å; W656-F705 HydrophobicContact CZ2-CE1 4.3Å; W656-F705 HydrophobicContact CZ2-CZ 4.47Å; W656-F705 HydrophobicContact CZ3-CZ 4.46Å; W656-F705 AromaticContact NE1-CD1 3.78Å; W656-F705 AromaticContact NE1-CE1 3.25Å; W656-F705 VanDerWaalsContact NE1-CE1 3.25Å; W656-F705 AromaticContact NE1-CZ 3.89Å; W656-F717 AromaticContact CE2-CE2 3.88Å; W656-F717 AromaticContact CE2-CZ 3.97Å; W656-F717 HydrophobicContact CZ2-CD2 4.2Å; W656-F717 HydrophobicContact CZ2-CE1 4.36Å; W656-F717 AromaticContact CZ2-CE2 3.56Å; W656-F717 HydrophobicContact CZ2-CE2 3.56Å; W656-F717 AromaticContact CZ2-CZ 3.66Å; W656-F717 HydrophobicContact CZ2-CZ 3.66Å; W656-F717 AromaticContact NE1-CD1 3.38Å; W656-F717 AromaticContact NE1-CD2 3.42Å; W656-F717 AromaticContact NE1-CE1 3.57Å; W656-F717 AromaticContact NE1-CE2 3.57Å; W656-F717 AromaticContact NE1-CG 3.32Å; W656-F717 VanDerWaalsContact NE1-CG 3.32Å; W656-F717 AromaticContact NE1-CZ 3.66Å
657	E	95.6	Very high	87.5	Confident	30 Å²	30	50.6 Å²	50.6	14%	0.14	25%	0.251	C	S	.	.	H	α-helix	trans	-62.5	-43.2	-179.1	-175.5	175.5	169.7	0	0	111.2	V653 N659 T660 R667 W676	V653-E657 WeakPolarHBondContact O-CB 3.43Å; V653-E657 PolarHBondContact O-N 3.47Å; E657-N659 VanDerWaalsContact C-N 3.28Å; E657-N659 PolarHBondContact O-N 3.03Å; E657-T660 PolarHBondContact O-N 2.93Å; E657-R667 VanDerWaalsContact CD-NH2 3.32Å; E657-R667 IonicContact OE1-CZ 3.75Å; E657-R667 VanDerWaalsContact OE1-CZ 3.27Å; E657-R667 IonicContact OE1-NE 3.37Å; E657-R667 PolarHBondContact OE1-NE 3.25Å; E657-R667 IonicContact OE1-NH2 3.87Å; E657-R667 PolarHBondContact OE1-NH2 2.92Å; E657-R667 IonicContact OE2-NH2 2.82Å; E657-W676 VanDerWaalsContact CA-CH2 3.42Å; E657-W676 VanDerWaalsContact CA-CZ2 3.49Å; E657-W676 HydrophobicContact CB-CD2 3.91Å; E657-W676 HydrophobicContact CB-CE3 3.9Å; E657-W676 HydrophobicContact CB-CH2 3.92Å; E657-W676 HydrophobicContact CB-CZ2 3.92Å; E657-W676 HydrophobicContact CB-CZ3 3.9Å; E657-W676 HydrophobicContact CG-CD2 3.8Å; E657-W676 HydrophobicContact CG-CE3 4.31Å; E657-W676 HydrophobicContact CG-CG 4.13Å; E657-W676 HydrophobicContact CG-CZ2 4.04Å
658	K	93.9	Very high	88.7	Confident	149 Å²	149	54.6 Å²	54.6	65%	0.648	28%	0.278	S	S	*	.	H	α-helix	trans	-62.2	-32.8	179.8	-179.4	-179.9	177	-176.2	0	113.5	D654 D655 W656	D654-K658 WeakPolarHBondContact O-CB 3.28Å; D654-K658 PolarHBondContact O-N 2.86Å; D655-K658 PolarHBondContact O-N 3.4Å; W656-K658 VanDerWaalsContact C-N 3.33Å; W656-K658 PolarHBondContact O-N 2.95Å
659	N	94	Very high	90.3	Very high	16 Å²	16	53.8 Å²	53.8	9%	0.086	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.3	15.2	-177.2	-63.6	-79.4	0	0	0	113.3	D655 W656 E657 F705 S706	D655-N659 WeakPolarHBondContact O-CB 3.24Å; D655-N659 PolarHBondContact O-N 3.37Å; D655-N659 VanDerWaalsContact O-N 3.09Å; D655-N659 PolarHBondContact O-ND2 3.07Å; D655-N659 PolarHBondContact OD1-ND2 2.94Å; W656-N659 PolarHBondContact O-N 2.85Å; E657-N659 VanDerWaalsContact C-N 3.28Å; E657-N659 PolarHBondContact O-N 3.03Å; N659-F705 HydrophobicContact CB-CB 3.68Å; N659-S706 WeakPolarHBondContact OD1-CB 3.45Å
660	T	96.3	Very high	92.2	Very high	11 Å²	11	56.3 Å²	56.3	7%	0.067	28%	0.279	C	S	.	.			trans	-88.8	136.3	173.8	-66.8	0	0	0	0	111.5	W656 E657 Y662 W676 F717 I719	W656-T660 PolarHBondContact O-N 3.42Å; W656-T660 VanDerWaalsContact O-N 3.14Å; W656-T660 PolarHBondContact O-OG1 2.85Å; E657-T660 PolarHBondContact O-N 2.93Å; T660-Y662 HydrophobicContact CG2-CD1 4.2Å; T660-Y662 HydrophobicContact CG2-CE1 3.6Å; T660-Y662 HydrophobicContact CG2-CE2 4.45Å; T660-W676 HydrophobicContact CG2-CZ2 4.06Å; T660-W676 WeakPolarHBondContact OG1-CZ2 3.41Å; T660-F717 WeakPolarHBondContact CA-O 3.3Å; T660-F717 HydrophobicContact CG2-CD1 3.81Å; T660-F717 HydrophobicContact CG2-CE1 4.44Å; T660-I719 HydrophobicContact CG2-CD1 4.27Å; T660-I719 HydrophobicContact CG2-CG1 4.12Å
661	V	95.2	Very high	93.7	Very high	24 Å²	24	54 Å²	54	15%	0.145	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	148.8	171.9	-62.3	0	0	0	0	111.1	L716 F717 C718 I719	V661-L716 HydrophobicContact CG1-CB 4.47Å; V661-L716 HydrophobicContact CG1-CD1 3.98Å; V661-F717 WeakPolarHBondContact CG2-O 3.42Å; V661-F717 PolarHBondContact N-O 3.48Å; V661-C718 HydrophobicContact CG2-CB 3.7Å; V661-C718 CarbonylContact O-C 3.54Å; V661-C718 VanDerWaalsContact O-CA 3.31Å; V661-C718 WeakPolarHBondContact O-CA 3.27Å; V661-I719 PolarHBondContact O-N 2.89Å
662	Y	97.3	Very high	94.6	Very high	22 Å²	22	53.5 Å²	53.5	9%	0.086	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	133.1	-176.8	-52.4	-76.5	0	0	0	110.8	T660 Y665 R667 I672 W676 I719	T660-Y662 HydrophobicContact CG2-CD1 4.2Å; T660-Y662 HydrophobicContact CG2-CE1 3.6Å; T660-Y662 HydrophobicContact CG2-CE2 4.45Å; Y662-Y665 WeakPolarHBondContact CB-O 3.35Å; Y662-R667 HydrophobicContact CE2-CB 4.28Å; Y662-I672 HydrophobicContact CD1-CD1 3.65Å; Y662-I672 HydrophobicContact CD1-CG1 3.97Å; Y662-I672 HydrophobicContact CD1-CG2 4.14Å; Y662-I672 HydrophobicContact CE1-CB 4.4Å; Y662-I672 HydrophobicContact CE1-CD1 3.79Å; Y662-I672 HydrophobicContact CE1-CG1 4.09Å; Y662-I672 HydrophobicContact CE1-CG2 3.43Å; Y662-I672 VanDerWaalsContact CE1-CG2 3.43Å; Y662-W676 AromaticContact CZ-NE1 3.91Å; Y662-W676 PolarHBondContact OH-NE1 2.91Å; Y662-I719 WeakPolarHBondContact CA-O 3.44Å; Y662-I719 HydrophobicContact CD1-CB 4.15Å; Y662-I719 HydrophobicContact CE1-CD1 4.18Å
663	I	95	Very high	95.2	Very high	42 Å²	42	53.9 Å²	53.9	22%	0.215	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	125.3	174.5	-59.7	176.3	0	0	0	108	Y665 C718 I719 E720 R721	I663-Y665 PolarHBondContact O-N 2.77Å; I663-C718 WeakPolarHBondContact CD1-SG 3.31Å; I663-I719 PolarHBondContact N-O 2.84Å; I663-E720 HydrophobicContact CB-CB 3.97Å; I663-E720 HydrophobicContact CB-CG 3.8Å; I663-E720 HydrophobicContact CG2-CB 4.43Å; I663-E720 HydrophobicContact CG2-CG 3.72Å; I663-E720 VanDerWaalsContact O-CA 3.31Å; I663-E720 WeakPolarHBondContact O-CA 3.29Å; I663-R721 PolarHBondContact O-N 3.46Å
664	K	95.9	Very high	95.5	Very high	146 Å²	146	55.9 Å²	55.9	64%	0.635	27%	0.273	S	S	*	.	S	Bend	trans	57.9	8.6	-174.9	-59.6	160.2	-175.8	157.5	0	114.8	E720 R721	K664-E720 HydrophobicContact CD-CG 4.42Å; K664-E720 IonicContact NZ-OE1 3.86Å; K664-E720 PolarHBondContact NZ-OE1 3.28Å; K664-R721 HydrophobicContact CB-CB 3.75Å; K664-R721 WeakPolarHBondContact CD-O 3.31Å
665	Y	97.4	Very high	95.9	Very high	14 Å²	14	50.4 Å²	50.4	6%	0.055	24%	0.244	C	C	.	.			trans	-124.3	166	165.4	-78.4	-52.2	0	0	0	109.3	Y662 I663 Q671 I672 I719 R721 L740 P741 P742	Y662-Y665 WeakPolarHBondContact CB-O 3.35Å; I663-Y665 PolarHBondContact O-N 2.77Å; Y665-Q671 HydrophobicContact CE1-CB 4.12Å; Y665-Q671 HydrophobicContact CE1-CG 4.37Å; Y665-I672 HydrophobicContact CD1-CG1 4.41Å; Y665-I672 HydrophobicContact CD2-CD1 3.85Å; Y665-I672 HydrophobicContact CD2-CG1 4.34Å; Y665-I672 HydrophobicContact CE2-CD1 4.49Å; Y665-I672 HydrophobicContact CG-CD1 4Å; Y665-I672 HydrophobicContact CG-CG1 3.97Å; Y665-I719 HydrophobicContact CD2-CG2 4.23Å; Y665-R721 HydrophobicContact CD1-CB 4.22Å; Y665-R721 HydrophobicContact CD2-CB 3.69Å; Y665-R721 HydrophobicContact CE1-CB 3.98Å; Y665-R721 HydrophobicContact CE1-CG 3.99Å; Y665-R721 VanDerWaalsContact CE2-CA 3.43Å; Y665-R721 HydrophobicContact CE2-CB 3.43Å; Y665-R721 VanDerWaalsContact CE2-CB 3.43Å; Y665-R721 HydrophobicContact CE2-CG 3.99Å; Y665-R721 HydrophobicContact CG-CB 4.08Å; Y665-L740 HydrophobicContact CE2-CB 4.24Å; Y665-L740 HydrophobicContact CE2-CD2 4.43Å; Y665-L740 WeakPolarHBondContact CE2-O 3.1Å; Y665-L740 PolarHBondContact OH-O 3.2Å; Y665-P741 PolarHBondContact OH-O 3.48Å; Y665-P742 VanDerWaalsContact OH-CA 3.28Å; Y665-P742 WeakPolarHBondContact OH-CA 3.38Å
666	T	95.8	Very high	96.2	Very high	41 Å²	41	49.1 Å²	49.1	25%	0.252	24%	0.236	S	C	.	.			trans	-128.2	165.6	170.5	58.8	0	0	0	0	108.7	S668 S669 I672	T666-S668 PolarHBondContact O-N 3.18Å; T666-S668 VanDerWaalsContact O-N 3.11Å; T666-S668 PolarHBondContact OG1-OG 3.47Å; T666-S669 PolarHBondContact N-OG 2.89Å; T666-S669 VanDerWaalsContact O-CB 3.24Å; T666-S669 WeakPolarHBondContact O-CB 3.33Å; T666-S669 PolarHBondContact O-N 3.46Å; T666-S669 PolarHBondContact O-OG 2.89Å; T666-S669 PolarHBondContact OG1-N 2.85Å; T666-S669 PolarHBondContact OG1-OG 3.03Å; T666-S669 VanDerWaalsContact OG1-OG 3.06Å; T666-I672 WeakPolarHBondContact O-CG1 3.47Å
667	R	93.6	Very high	96.3	Very high	99 Å²	99	53.8 Å²	53.8	37%	0.374	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-27.8	175	-164.1	175.8	-171.9	-170	1.7	113	E657 Y662	E657-R667 VanDerWaalsContact CD-NH2 3.32Å; E657-R667 IonicContact OE1-CZ 3.75Å; E657-R667 VanDerWaalsContact OE1-CZ 3.27Å; E657-R667 IonicContact OE1-NE 3.37Å; E657-R667 PolarHBondContact OE1-NE 3.25Å; E657-R667 IonicContact OE1-NH2 3.87Å; E657-R667 PolarHBondContact OE1-NH2 2.92Å; E657-R667 IonicContact OE2-NH2 2.82Å; Y662-R667 HydrophobicContact CE2-CB 4.28Å
668	S	95.6	Very high	96.3	Very high	90 Å²	90	53.4 Å²	53.4	63%	0.629	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-5.6	177.5	56.9	0	0	0	0	114.9	T666	T666-S668 PolarHBondContact O-N 3.18Å; T666-S668 VanDerWaalsContact O-N 3.11Å; T666-S668 PolarHBondContact OG1-OG 3.47Å
669	S	97.4	Very high	96.3	Very high	27 Å²	27	46.3 Å²	46.3	19%	0.189	22%	0.224	C	C	.	.	S	Bend	trans	-66.9	137.5	179.1	-66	0	0	0	0	111.1	T666 Q671 I672 I673	T666-S669 PolarHBondContact N-OG 2.89Å; T666-S669 VanDerWaalsContact O-CB 3.24Å; T666-S669 WeakPolarHBondContact O-CB 3.33Å; T666-S669 PolarHBondContact O-N 3.46Å; T666-S669 PolarHBondContact O-OG 2.89Å; T666-S669 PolarHBondContact OG1-N 2.85Å; T666-S669 PolarHBondContact OG1-OG 3.03Å; T666-S669 VanDerWaalsContact OG1-OG 3.06Å; S669-Q671 VanDerWaalsContact C-N 3.28Å; S669-Q671 PolarHBondContact O-N 2.86Å; S669-I672 WeakPolarHBondContact O-CB 3.33Å; S669-I672 PolarHBondContact O-N 3.41Å; S669-I673 PolarHBondContact O-N 3.23Å
670	K	97.4	Very high	96.2	Very high	141 Å²	141	50.8 Å²	50.8	61%	0.613	25%	0.245	S	C	*	.	H	α-helix	trans	-53.1	-45.5	-175.4	-66.4	179	-178.2	176.2	0	112.3	I672 I673 W674	K670-I672 VanDerWaalsContact C-N 3.32Å; K670-I672 PolarHBondContact O-N 3.2Å; K670-I673 PolarHBondContact O-N 2.8Å; K670-W674 HydrophobicContact CB-CH2 4.17Å; K670-W674 HydrophobicContact CB-CZ2 4.04Å; K670-W674 HydrophobicContact CB-CZ3 4.47Å; K670-W674 HydrophobicContact CD-CZ2 4.48Å; K670-W674 WeakPolarHBondContact O-CB 3.41Å; K670-W674 VanDerWaalsContact O-CD2 3.29Å; K670-W674 PolarHBondContact O-N 3.19Å
671	Q	97.9	Very high	95.9	Very high	27 Å²	27	56.9 Å²	56.9	13%	0.126	27%	0.27	C	S	.	.	H	α-helix	trans	-64.4	-34.8	179.8	-65.9	78.7	6.4	0	0	112.4	Y665 S669 W674 F675 L740 Y743 L749	Y665-Q671 HydrophobicContact CE1-CB 4.12Å; Y665-Q671 HydrophobicContact CE1-CG 4.37Å; S669-Q671 VanDerWaalsContact C-N 3.28Å; S669-Q671 PolarHBondContact O-N 2.86Å; Q671-W674 HydrophobicContact CG-CE3 4.42Å; Q671-W674 HydrophobicContact CG-CZ3 4.5Å; Q671-W674 PolarHBondContact O-N 2.8Å; Q671-F675 VanDerWaalsContact O-CB 3.28Å; Q671-F675 WeakPolarHBondContact O-CB 3.16Å; Q671-F675 PolarHBondContact O-N 2.65Å; Q671-L740 HydrophobicContact CB-CD2 4.32Å; Q671-Y743 PolarHBondContact NE2-O 2.96Å; Q671-L749 HydrophobicContact CB-CD1 4.32Å; Q671-L749 WeakPolarHBondContact O-CD1 3.44Å
672	I	98.2	Very high	95.4	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-71.7	-43.3	177	-60.5	-53	0	0	0	111.1	Y662 Y665 T666 S669 K670 W674 F675 W676 I719 L740	Y662-I672 HydrophobicContact CD1-CD1 3.65Å; Y662-I672 HydrophobicContact CD1-CG1 3.97Å; Y662-I672 HydrophobicContact CD1-CG2 4.14Å; Y662-I672 HydrophobicContact CE1-CB 4.4Å; Y662-I672 HydrophobicContact CE1-CD1 3.79Å; Y662-I672 HydrophobicContact CE1-CG1 4.09Å; Y662-I672 HydrophobicContact CE1-CG2 3.43Å; Y662-I672 VanDerWaalsContact CE1-CG2 3.43Å; Y665-I672 HydrophobicContact CD1-CG1 4.41Å; Y665-I672 HydrophobicContact CD2-CD1 3.85Å; Y665-I672 HydrophobicContact CD2-CG1 4.34Å; Y665-I672 HydrophobicContact CE2-CD1 4.49Å; Y665-I672 HydrophobicContact CG-CD1 4Å; Y665-I672 HydrophobicContact CG-CG1 3.97Å; T666-I672 WeakPolarHBondContact O-CG1 3.47Å; S669-I672 WeakPolarHBondContact O-CB 3.33Å; S669-I672 PolarHBondContact O-N 3.41Å; K670-I672 VanDerWaalsContact C-N 3.32Å; K670-I672 PolarHBondContact O-N 3.2Å; I672-W674 VanDerWaalsContact C-N 3.27Å; I672-W674 PolarHBondContact O-N 2.75Å; I672-F675 WeakPolarHBondContact O-CB 3.33Å; I672-F675 PolarHBondContact O-N 2.93Å; I672-W676 VanDerWaalsContact O-CD1 3.23Å; I672-W676 PolarHBondContact O-N 3.1Å; I672-I719 HydrophobicContact CD1-CB 4.22Å; I672-I719 HydrophobicContact CD1-CD1 4.15Å; I672-I719 HydrophobicContact CD1-CG2 3.79Å; I672-L740 HydrophobicContact CD1-CD2 4.42Å
673	I	97.6	Very high	94.5	Very high	92 Å²	92	60.2 Å²	60.2	47%	0.472	29%	0.289	S	S	.	.	H	α-helix	trans	-59.7	-42.5	173.6	-63.2	169.5	0	0	0	110.3	S669 K670 K677	S669-I673 PolarHBondContact O-N 3.23Å; K670-I673 PolarHBondContact O-N 2.8Å; I673-K677 VanDerWaalsContact O-CB 3.25Å; I673-K677 WeakPolarHBondContact O-CB 3.49Å; I673-K677 PolarHBondContact O-N 2.98Å
674	W	98.1	Very high	93.5	Very high	52 Å²	52	60.6 Å²	60.6	20%	0.197	29%	0.291	C	S	.	.	H	α-helix	trans	-66.6	-40.7	176.7	-67.8	-12.5	0	0	0	112.9	K670 Q671 I672 K677 L678 Y743 S745 Y746 L749	K670-W674 HydrophobicContact CB-CH2 4.17Å; K670-W674 HydrophobicContact CB-CZ2 4.04Å; K670-W674 HydrophobicContact CB-CZ3 4.47Å; K670-W674 HydrophobicContact CD-CZ2 4.48Å; K670-W674 WeakPolarHBondContact O-CB 3.41Å; K670-W674 VanDerWaalsContact O-CD2 3.29Å; K670-W674 PolarHBondContact O-N 3.19Å; Q671-W674 HydrophobicContact CG-CE3 4.42Å; Q671-W674 HydrophobicContact CG-CZ3 4.5Å; Q671-W674 PolarHBondContact O-N 2.8Å; I672-W674 VanDerWaalsContact C-N 3.27Å; I672-W674 PolarHBondContact O-N 2.75Å; W674-K677 PolarHBondContact O-N 3.36Å; W674-L678 PolarHBondContact O-N 3.21Å; W674-Y743 WeakPolarHBondContact CZ3-O 3.08Å; W674-S745 VanDerWaalsContact CZ3-C 3.47Å; W674-Y746 HydrophobicContact CB-CD2 3.81Å; W674-Y746 AromaticContact CG-CD2 3.97Å; W674-Y746 HydrophobicContact CG-CD2 3.97Å; W674-Y746 WeakPolarHBondContact O-CE2 3.42Å; W674-L749 HydrophobicContact CB-CD1 3.96Å; W674-L749 HydrophobicContact CE3-CD1 4.48Å
675	F	97.8	Very high	92.2	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-57	-55.8	175	177.8	-93.3	0	0	0	110.5	Q671 I672 K677 L678 I679 L690 F717 I719 L738 L740 L753	Q671-F675 VanDerWaalsContact O-CB 3.28Å; Q671-F675 WeakPolarHBondContact O-CB 3.16Å; Q671-F675 PolarHBondContact O-N 2.65Å; I672-F675 WeakPolarHBondContact O-CB 3.33Å; I672-F675 PolarHBondContact O-N 2.93Å; F675-K677 VanDerWaalsContact C-N 3.33Å; F675-K677 PolarHBondContact O-N 3.27Å; F675-L678 WeakPolarHBondContact O-CA 3.41Å; F675-L678 WeakPolarHBondContact O-CB 3.39Å; F675-L678 PolarHBondContact O-N 3.17Å; F675-I679 HydrophobicContact CD1-CG1 4.02Å; F675-I679 HydrophobicContact CE1-CD1 4.24Å; F675-I679 HydrophobicContact CE1-CG1 3.68Å; F675-I679 HydrophobicContact CE2-CD1 4.1Å; F675-I679 HydrophobicContact CE2-CG1 4.41Å; F675-I679 HydrophobicContact CZ-CD1 3.95Å; F675-I679 HydrophobicContact CZ-CG1 3.9Å; F675-I679 WeakPolarHBondContact O-CG1 3.48Å; F675-I679 PolarHBondContact O-N 3.05Å; F675-L690 HydrophobicContact CE2-CD2 3.97Å; F675-L690 HydrophobicContact CZ-CD2 3.9Å; F675-F717 HydrophobicContact CZ-CE1 4.37Å; F675-F717 HydrophobicContact CZ-CZ 4.36Å; F675-I719 HydrophobicContact CD1-CD1 3.67Å; F675-I719 HydrophobicContact CD2-CD1 4.37Å; F675-I719 HydrophobicContact CE1-CD1 3.59Å; F675-I719 HydrophobicContact CE2-CD1 4.3Å; F675-I719 HydrophobicContact CG-CD1 4.08Å; F675-I719 HydrophobicContact CZ-CD1 3.92Å; F675-L738 HydrophobicContact CD2-CD2 4.25Å; F675-L738 HydrophobicContact CE2-CD2 3.56Å; F675-L738 HydrophobicContact CZ-CD2 4.19Å; F675-L740 HydrophobicContact CB-CD2 4.47Å; F675-L740 HydrophobicContact CD2-CD2 4.46Å; F675-L753 HydrophobicContact CD2-CD2 4.16Å; F675-L753 HydrophobicContact CE2-CD2 4.06Å
676	W	97.6	Very high	91.1	Very high	8 Å²	8	60.4 Å²	60.4	3%	0.03	29%	0.293	C	S	.	.	H	α-helix	trans	-64.9	-35.4	179.9	-68.1	117.2	0	0	0	113.3	V653 W656 E657 T660 Y662 I672 L678 I679 Q680	V653-W676 HydrophobicContact CG1-CE3 4.19Å; V653-W676 HydrophobicContact CG1-CZ3 4.32Å; W656-W676 HydrophobicContact CB-CH2 4.01Å; W656-W676 HydrophobicContact CB-CZ3 4.01Å; W656-W676 AromaticContact CD1-CH2 3.56Å; W656-W676 HydrophobicContact CD2-CH2 4.03Å; W656-W676 HydrophobicContact CD2-CZ3 4.01Å; W656-W676 HydrophobicContact CE3-CZ3 4.43Å; W656-W676 AromaticContact CG-CH2 3.58Å; W656-W676 HydrophobicContact CG-CH2 3.58Å; W656-W676 AromaticContact CG-CZ3 3.81Å; W656-W676 HydrophobicContact CG-CZ3 3.81Å; W656-W676 AromaticContact NE1-CH2 3.95Å; E657-W676 VanDerWaalsContact CA-CH2 3.42Å; E657-W676 VanDerWaalsContact CA-CZ2 3.49Å; E657-W676 HydrophobicContact CB-CD2 3.91Å; E657-W676 HydrophobicContact CB-CE3 3.9Å; E657-W676 HydrophobicContact CB-CH2 3.92Å; E657-W676 HydrophobicContact CB-CZ2 3.92Å; E657-W676 HydrophobicContact CB-CZ3 3.9Å; E657-W676 HydrophobicContact CG-CD2 3.8Å; E657-W676 HydrophobicContact CG-CE3 4.31Å; E657-W676 HydrophobicContact CG-CG 4.13Å; E657-W676 HydrophobicContact CG-CZ2 4.04Å; T660-W676 HydrophobicContact CG2-CZ2 4.06Å; T660-W676 WeakPolarHBondContact OG1-CZ2 3.41Å; Y662-W676 AromaticContact CZ-NE1 3.91Å; Y662-W676 PolarHBondContact OH-NE1 2.91Å; I672-W676 VanDerWaalsContact O-CD1 3.23Å; I672-W676 PolarHBondContact O-N 3.1Å; W676-L678 VanDerWaalsContact C-N 3.25Å; W676-L678 PolarHBondContact O-N 2.78Å; W676-I679 HydrophobicContact CE3-CB 4.13Å; W676-I679 HydrophobicContact CE3-CG1 4.15Å; W676-I679 HydrophobicContact CE3-CG2 4.4Å; W676-I679 HydrophobicContact CZ3-CB 4.47Å; W676-I679 HydrophobicContact CZ3-CG1 4.36Å; W676-I679 HydrophobicContact CZ3-CG2 4.32Å; W676-I679 PolarHBondContact O-N 3.24Å; W676-Q680 WeakPolarHBondContact O-CG 3.3Å; W676-Q680 PolarHBondContact O-N 3.35Å
677	K	95.6	Very high	90.7	Very high	99 Å²	99	60.4 Å²	60.4	43%	0.43	29%	0.289	S	S	.	.	H	α-helix	trans	-59.8	-35.2	171.3	-179.3	-178.8	177.9	-173.5	0	112.4	I673 W674 F675 K681 Y746	I673-K677 VanDerWaalsContact O-CB 3.25Å; I673-K677 WeakPolarHBondContact O-CB 3.49Å; I673-K677 PolarHBondContact O-N 2.98Å; W674-K677 PolarHBondContact O-N 3.36Å; F675-K677 VanDerWaalsContact C-N 3.33Å; F675-K677 PolarHBondContact O-N 3.27Å; K677-K681 WeakPolarHBondContact O-CG 3.4Å; K677-Y746 HydrophobicContact CB-CE2 4.08Å; K677-Y746 HydrophobicContact CD-CD2 4.11Å; K677-Y746 HydrophobicContact CD-CE2 3.76Å; K677-Y746 HydrophobicContact CG-CE2 3.85Å
678	L	94.9	Very high	89.7	Confident	21 Å²	21	56.6 Å²	56.6	11%	0.11	28%	0.278	C	S	.	.	H	α-helix	trans	-71.1	-50.2	173.1	173.7	59.5	0	0	0	110.6	W674 F675 W676 Q680 K681 L682 Y746 L749 C750 L753	W674-L678 PolarHBondContact O-N 3.21Å; F675-L678 WeakPolarHBondContact O-CA 3.41Å; F675-L678 WeakPolarHBondContact O-CB 3.39Å; F675-L678 PolarHBondContact O-N 3.17Å; W676-L678 VanDerWaalsContact C-N 3.25Å; W676-L678 PolarHBondContact O-N 2.78Å; L678-Q680 VanDerWaalsContact C-N 3.3Å; L678-Q680 PolarHBondContact O-N 2.92Å; L678-K681 WeakPolarHBondContact O-CA 3.31Å; L678-K681 WeakPolarHBondContact O-CB 3.41Å; L678-K681 PolarHBondContact O-N 3.3Å; L678-L682 HydrophobicContact CD1-CD2 4.01Å; L678-L682 HydrophobicContact CD1-CG 4.18Å; L678-L682 HydrophobicContact CG-CD1 4.36Å; L678-L682 HydrophobicContact CG-CG 4.39Å; L678-L682 WeakPolarHBondContact O-CG 3.32Å; L678-L682 PolarHBondContact O-N 3.47Å; L678-L682 VanDerWaalsContact O-N 3.12Å; L678-Y746 HydrophobicContact CB-CE2 4.31Å; L678-L749 HydrophobicContact CD2-CD2 3.9Å; L678-C750 HydrophobicContact CD2-CB 4.44Å; L678-L753 HydrophobicContact CD2-CD2 3.72Å
679	I	93.8	Very high	88.5	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-58.2	-41.5	-176.9	-56	-38.2	0	0	0	112.3	V653 W656 F675 W676 K681 L682 R687 L690	V653-I679 HydrophobicContact CG1-CG2 3.9Å; V653-I679 HydrophobicContact CG2-CG2 4.03Å; W656-I679 HydrophobicContact CE3-CG2 3.9Å; W656-I679 HydrophobicContact CZ3-CG2 3.83Å; F675-I679 HydrophobicContact CD1-CG1 4.02Å; F675-I679 HydrophobicContact CE1-CD1 4.24Å; F675-I679 HydrophobicContact CE1-CG1 3.68Å; F675-I679 HydrophobicContact CE2-CD1 4.1Å; F675-I679 HydrophobicContact CE2-CG1 4.41Å; F675-I679 HydrophobicContact CZ-CD1 3.95Å; F675-I679 HydrophobicContact CZ-CG1 3.9Å; F675-I679 WeakPolarHBondContact O-CG1 3.48Å; F675-I679 PolarHBondContact O-N 3.05Å; W676-I679 HydrophobicContact CE3-CB 4.13Å; W676-I679 HydrophobicContact CE3-CG1 4.15Å; W676-I679 HydrophobicContact CE3-CG2 4.4Å; W676-I679 HydrophobicContact CZ3-CB 4.47Å; W676-I679 HydrophobicContact CZ3-CG1 4.36Å; W676-I679 HydrophobicContact CZ3-CG2 4.32Å; W676-I679 PolarHBondContact O-N 3.24Å; I679-K681 PolarHBondContact O-N 2.98Å; I679-L682 HydrophobicContact CD1-CD1 4.07Å; I679-L682 PolarHBondContact O-N 3.5Å; I679-R687 HydrophobicContact CG2-CG 4.22Å; I679-R687 PolarHBondContact O-NE 3.03Å; I679-R687 PolarHBondContact O-NH2 3.25Å; I679-L690 HydrophobicContact CD1-CD2 3.2Å; I679-L690 HydrophobicContact CG1-CD2 4.32Å
680	Q	92.4	Very high	88	Confident	111 Å²	111	56 Å²	56	52%	0.519	26%	0.258	S	S	.	.	H	α-helix	trans	-61.9	-29.1	176	-72.7	176.3	3.1	0	0	113.1	V653 W676 L678 R687	V653-Q680 HydrophobicContact CG1-CG 3.95Å; W676-Q680 WeakPolarHBondContact O-CG 3.3Å; W676-Q680 PolarHBondContact O-N 3.35Å; L678-Q680 VanDerWaalsContact C-N 3.3Å; L678-Q680 PolarHBondContact O-N 2.92Å; Q680-R687 PolarHBondContact O-NH2 2.94Å
681	K	88.6	Confident	87.4	Confident	138 Å²	138	49.3 Å²	49.3	60%	0.6	23%	0.229	S	C	*	.	H	α-helix	trans	-83.1	-26.6	177.6	-73.2	-178.9	-178.4	177.3	0	113.9	K677 L678 I679 Y746	K677-K681 WeakPolarHBondContact O-CG 3.4Å; L678-K681 WeakPolarHBondContact O-CA 3.31Å; L678-K681 WeakPolarHBondContact O-CB 3.41Å; L678-K681 PolarHBondContact O-N 3.3Å; I679-K681 PolarHBondContact O-N 2.98Å; K681-Y746 WeakPolarHBondContact CD-OH 3.21Å; K681-Y746 PolarHBondContact NZ-OH 3.34Å
682	L	85.1	Confident	86.3	Confident	37 Å²	37	50.2 Å²	50.2	19%	0.194	23%	0.233	C	C	.	.	S	Bend	trans	-66.4	146.5	178.6	-65.9	-178.8	0	0	0	110.3	L678 I679 H686 R687	L678-L682 HydrophobicContact CD1-CD2 4.01Å; L678-L682 HydrophobicContact CD1-CG 4.18Å; L678-L682 HydrophobicContact CG-CD1 4.36Å; L678-L682 HydrophobicContact CG-CG 4.39Å; L678-L682 WeakPolarHBondContact O-CG 3.32Å; L678-L682 PolarHBondContact O-N 3.47Å; L678-L682 VanDerWaalsContact O-N 3.12Å; I679-L682 HydrophobicContact CD1-CD1 4.07Å; I679-L682 PolarHBondContact O-N 3.5Å; L682-H686 HydrophobicContact CB-CB 4Å; L682-H686 HydrophobicContact CD1-CB 4.15Å; L682-H686 HydrophobicContact CD2-CB 3.89Å; L682-H686 HydrophobicContact CG-CB 4.21Å; L682-R687 HydrophobicContact CB-CG 3.97Å; L682-R687 PolarHBondContact O-NE 2.9Å; L682-R687 PolarHBondContact O-NH2 3.32Å
683	D	77.9	Confident	85.4	Confident	80 Å²	80	50.9 Å²	50.9	43%	0.428	24%	0.236	S	C	.	.			trans	-75.4	173.5	166.4	60.1	34.8	0	0	0	110.9	E685 H686 R687	D683-E685 VanDerWaalsContact C-N 3.26Å; D683-E685 PolarHBondContact O-N 2.87Å; D683-E685 PolarHBondContact OD1-N 2.9Å; D683-H686 PolarHBondContact O-N 2.79Å; D683-H686 IonicContact OD1-CE1 2.75Å; D683-H686 IonicContact OD1-CG 3.13Å; D683-H686 PolarHBondContact OD1-N 3.05Å; D683-H686 IonicContact OD1-ND1 2.7Å; D683-H686 PolarHBondContact OD1-ND1 2.81Å; D683-H686 IonicContact OD2-CE1 2.8Å; D683-H686 IonicContact OD2-ND1 3.93Å; D683-H686 PolarHBondContact OD2-ND1 2.87Å; D683-H686 VanDerWaalsContact OD2-ND1 3.1Å; D683-R687 VanDerWaalsContact O-CG 3.27Å; D683-R687 WeakPolarHBondContact O-CG 3.48Å; D683-R687 PolarHBondContact O-N 2.83Å
684	N	75.1	Confident	84.7	Confident	50 Å²	50	46.5 Å²	46.5	27%	0.267	21%	0.213	S	C	.	.	H	α-helix	trans	-62.3	-32.8	-177.2	-164.3	57.3	0	0	0	112.7	P649 I651 R687 A688	P649-N684 PolarHBondContact O-ND2 2.82Å; I651-N684 PolarHBondContact N-OD1 2.8Å; N684-R687 PolarHBondContact O-N 3.07Å; N684-A688 VanDerWaalsContact O-CB 3.24Å; N684-A688 WeakPolarHBondContact O-CB 3.46Å; N684-A688 PolarHBondContact O-N 2.87Å
685	E	68	Low	83.6	Confident	108 Å²	108	44.1 Å²	44.1	51%	0.505	21%	0.205	S	C	.	.	H	α-helix	trans	-64.9	-48.5	178.2	-175.8	-169.9	156.1	0	0	111.4	D683 R687 A688 R689	D683-E685 VanDerWaalsContact C-N 3.26Å; D683-E685 PolarHBondContact O-N 2.87Å; D683-E685 PolarHBondContact OD1-N 2.9Å; E685-R687 VanDerWaalsContact C-N 3.34Å; E685-R687 PolarHBondContact O-N 3.38Å; E685-A688 WeakPolarHBondContact O-CB 3.33Å; E685-A688 PolarHBondContact O-N 3.33Å; E685-R689 PolarHBondContact O-N 3.25Å; E685-R689 IonicContact OE1-CZ 2.84Å; E685-R689 IonicContact OE1-NH1 3.92Å; E685-R689 PolarHBondContact OE1-NH1 3.39Å; E685-R689 VanDerWaalsContact OE1-NH1 3.17Å; E685-R689 IonicContact OE1-NH2 3.32Å; E685-R689 PolarHBondContact OE1-NH2 3.12Å
686	H	74.8	Confident	82	Confident	48 Å²	48	44.1 Å²	44.1	22%	0.222	21%	0.205	C	C	.	.	H	α-helix	trans	-69.3	-33.9	178.8	-67.4	83.8	0	0	0	111.8	L682 D683 A688 R689 L690	L682-H686 HydrophobicContact CB-CB 4Å; L682-H686 HydrophobicContact CD1-CB 4.15Å; L682-H686 HydrophobicContact CD2-CB 3.89Å; L682-H686 HydrophobicContact CG-CB 4.21Å; D683-H686 PolarHBondContact O-N 2.79Å; D683-H686 IonicContact OD1-CE1 2.75Å; D683-H686 IonicContact OD1-CG 3.13Å; D683-H686 PolarHBondContact OD1-N 3.05Å; D683-H686 IonicContact OD1-ND1 2.7Å; D683-H686 PolarHBondContact OD1-ND1 2.81Å; D683-H686 IonicContact OD2-CE1 2.8Å; D683-H686 IonicContact OD2-ND1 3.93Å; D683-H686 PolarHBondContact OD2-ND1 2.87Å; D683-H686 VanDerWaalsContact OD2-ND1 3.1Å; H686-A688 VanDerWaalsContact C-N 3.35Å; H686-R689 PolarHBondContact O-N 2.97Å; H686-L690 PolarHBondContact O-N 3.37Å
687	R	86.6	Confident	80.4	Confident	41 Å²	41	44.3 Å²	44.3	16%	0.155	21%	0.207	C	C	.	.	H	α-helix	trans	-62	-43.8	170.8	-69.7	172.7	-169.9	165.7	7.1	111.3	I651 W656 I679 Q680 L682 D683 N684 E685 R689 L690 L691	I651-R687 HydrophobicContact CB-CB 4.36Å; I651-R687 HydrophobicContact CD1-CB 3.83Å; I651-R687 HydrophobicContact CG2-CB 4.42Å; W656-R687 HydrophobicContact CZ3-CB 4.34Å; I679-R687 HydrophobicContact CG2-CG 4.22Å; I679-R687 PolarHBondContact O-NE 3.03Å; I679-R687 PolarHBondContact O-NH2 3.25Å; Q680-R687 PolarHBondContact O-NH2 2.94Å; L682-R687 HydrophobicContact CB-CG 3.97Å; L682-R687 PolarHBondContact O-NE 2.9Å; L682-R687 PolarHBondContact O-NH2 3.32Å; D683-R687 VanDerWaalsContact O-CG 3.27Å; D683-R687 WeakPolarHBondContact O-CG 3.48Å; D683-R687 PolarHBondContact O-N 2.83Å; N684-R687 PolarHBondContact O-N 3.07Å; E685-R687 VanDerWaalsContact C-N 3.34Å; E685-R687 PolarHBondContact O-N 3.38Å; R687-R689 VanDerWaalsContact C-N 3.35Å; R687-R689 PolarHBondContact O-N 3.13Å; R687-L690 PolarHBondContact O-N 3.37Å; R687-L691 WeakPolarHBondContact O-CB 3.49Å; R687-L691 PolarHBondContact O-N 2.82Å
688	A	74.3	Confident	78.8	Confident	19 Å²	19	40.7 Å²	40.7	16%	0.157	19%	0.194	C	C	.	.	H	α-helix	trans	-62.9	-40	177.9	0	0	0	0	0	112	I651 N684 E685 H686 L691 Q692 C698	I651-A688 HydrophobicContact CD1-CB 4.11Å; N684-A688 VanDerWaalsContact O-CB 3.24Å; N684-A688 WeakPolarHBondContact O-CB 3.46Å; N684-A688 PolarHBondContact O-N 2.87Å; E685-A688 WeakPolarHBondContact O-CB 3.33Å; E685-A688 PolarHBondContact O-N 3.33Å; H686-A688 VanDerWaalsContact C-N 3.35Å; A688-L691 PolarHBondContact O-N 2.89Å; A688-Q692 WeakPolarHBondContact O-CB 3.41Å; A688-Q692 PolarHBondContact O-N 3.07Å; A688-C698 HydrophobicContact CB-CB 3.96Å
689	R	70.6	Confident	77.4	Confident	105 Å²	105	40.8 Å²	40.8	40%	0.396	19%	0.193	S	C	.	.	H	α-helix	trans	-63.3	-44.6	173.3	-72.6	-172.2	177.6	126.2	9.4	112.8	E685 H686 R687 L691 Q692 F693 I757	E685-R689 PolarHBondContact O-N 3.25Å; E685-R689 IonicContact OE1-CZ 2.84Å; E685-R689 IonicContact OE1-NH1 3.92Å; E685-R689 PolarHBondContact OE1-NH1 3.39Å; E685-R689 VanDerWaalsContact OE1-NH1 3.17Å; E685-R689 IonicContact OE1-NH2 3.32Å; E685-R689 PolarHBondContact OE1-NH2 3.12Å; H686-R689 PolarHBondContact O-N 2.97Å; R687-R689 VanDerWaalsContact C-N 3.35Å; R687-R689 PolarHBondContact O-N 3.13Å; R689-L691 VanDerWaalsContact C-N 3.34Å; R689-Q692 PolarHBondContact O-N 3.25Å; R689-F693 WeakPolarHBondContact O-CB 3.31Å; R689-F693 PolarHBondContact O-N 3.48Å; R689-I757 HydrophobicContact CB-CG2 3.62Å
690	L	85.3	Confident	76.3	Confident	0 Å²	0	41 Å²	41	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-63	-42.7	175.2	173.9	62.4	0	0	0	111.5	W656 F675 I679 H686 R687 Q692 F693 V694 L753 I757	W656-L690 HydrophobicContact CH2-CB 4.41Å; W656-L690 HydrophobicContact CH2-CD2 3.78Å; W656-L690 HydrophobicContact CH2-CG 4Å; W656-L690 HydrophobicContact CZ2-CD2 4.31Å; W656-L690 HydrophobicContact CZ2-CG 4.47Å; F675-L690 HydrophobicContact CE2-CD2 3.97Å; F675-L690 HydrophobicContact CZ-CD2 3.9Å; I679-L690 HydrophobicContact CD1-CD2 3.2Å; I679-L690 HydrophobicContact CG1-CD2 4.32Å; H686-L690 PolarHBondContact O-N 3.37Å; R687-L690 PolarHBondContact O-N 3.37Å; L690-Q692 VanDerWaalsContact C-N 3.29Å; L690-Q692 PolarHBondContact O-N 2.78Å; L690-F693 HydrophobicContact CD1-CD1 4.31Å; L690-F693 WeakPolarHBondContact O-CB 3.4Å; L690-F693 PolarHBondContact O-N 3.42Å; L690-V694 HydrophobicContact CD1-CG2 4.03Å; L690-V694 WeakPolarHBondContact O-CG2 3.49Å; L690-V694 PolarHBondContact O-N 3.24Å; L690-L753 HydrophobicContact CD1-CD1 4.05Å; L690-L753 HydrophobicContact CD1-CD2 4.36Å; L690-L753 HydrophobicContact CD1-CG 4.41Å; L690-L753 HydrophobicContact CD2-CD2 4.38Å; L690-I757 HydrophobicContact CB-CD1 3.83Å; L690-I757 HydrophobicContact CB-CG1 4.48Å; L690-I757 HydrophobicContact CD1-CD1 3.89Å; L690-I757 HydrophobicContact CD1-CG1 4.18Å; L690-I757 HydrophobicContact CG-CD1 4.37Å
691	L	85.3	Confident	75.1	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-60.7	-42.3	176.7	-175.2	65.6	0	0	0	111	I651 W656 R687 A688 R689 V694 T695 T697 L700 F705	I651-L691 HydrophobicContact CD1-CB 4.17Å; I651-L691 HydrophobicContact CD1-CD2 3.8Å; I651-L691 HydrophobicContact CG1-CD2 4.33Å; W656-L691 HydrophobicContact CH2-CB 4.39Å; W656-L691 HydrophobicContact CZ2-CD1 4.33Å; R687-L691 WeakPolarHBondContact O-CB 3.49Å; R687-L691 PolarHBondContact O-N 2.82Å; A688-L691 PolarHBondContact O-N 2.89Å; R689-L691 VanDerWaalsContact C-N 3.34Å; L691-V694 PolarHBondContact O-N 3.3Å; L691-T695 HydrophobicContact CD1-CG2 3.71Å; L691-T695 HydrophobicContact CG-CG2 4.42Å; L691-T695 WeakPolarHBondContact O-CB 3.2Å; L691-T695 WeakPolarHBondContact O-CG2 3.48Å; L691-T695 PolarHBondContact O-N 3.18Å; L691-T695 PolarHBondContact O-OG1 3.49Å; L691-T697 CarbonylContact C-O 3.5Å; L691-L700 HydrophobicContact CD1-CD2 4.17Å; L691-L700 HydrophobicContact CD2-CD1 4.45Å; L691-L700 HydrophobicContact CD2-CD2 3.59Å; L691-L700 HydrophobicContact CD2-CG 3.69Å; L691-F705 HydrophobicContact CD1-CE1 3.66Å; L691-F705 HydrophobicContact CD1-CZ 4.01Å
692	Q	75.1	Confident	73.8	Confident	45 Å²	45	31.7 Å²	31.7	21%	0.21	16%	0.157	C	C	.	.	H	α-helix	trans	-62.1	-44.5	174.5	-175.9	176	29	0	0	112.1	Y462 A688 R689 L690 V694 G696 T697 C698	Y462-Q692 VanDerWaalsContact CD1-NE2 3.27Å; A688-Q692 WeakPolarHBondContact O-CB 3.41Å; A688-Q692 PolarHBondContact O-N 3.07Å; R689-Q692 PolarHBondContact O-N 3.25Å; L690-Q692 VanDerWaalsContact C-N 3.29Å; L690-Q692 PolarHBondContact O-N 2.78Å; Q692-V694 VanDerWaalsContact C-N 3.29Å; Q692-V694 PolarHBondContact O-N 3.05Å; Q692-G696 VanDerWaalsContact O-CA 3.26Å; Q692-G696 WeakPolarHBondContact O-CA 3.31Å; Q692-G696 PolarHBondContact O-N 2.79Å; Q692-T697 WeakPolarHBondContact CA-O 3.14Å; Q692-T697 PolarHBondContact N-O 2.9Å; Q692-C698 HydrophobicContact CB-CB 4.34Å
693	F	79.6	Confident	72.9	Confident	14 Å²	14	30.7 Å²	30.7	6%	0.061	16%	0.156	C	C	.	.	H	α-helix	trans	-56.3	-43.7	175.8	174.7	-111.5	0	0	0	111.6	R689 L690 S731 L738 A756 I757 T760	R689-F693 WeakPolarHBondContact O-CB 3.31Å; R689-F693 PolarHBondContact O-N 3.48Å; L690-F693 HydrophobicContact CD1-CD1 4.31Å; L690-F693 WeakPolarHBondContact O-CB 3.4Å; L690-F693 PolarHBondContact O-N 3.42Å; F693-S731 WeakPolarHBondContact O-CB 3.36Å; F693-S731 PolarHBondContact O-OG 3.08Å; F693-L738 HydrophobicContact CD1-CD1 4.33Å; F693-L738 HydrophobicContact CE1-CD1 3.79Å; F693-A756 HydrophobicContact CE1-CB 4.47Å; F693-A756 HydrophobicContact CZ-CB 4.05Å; F693-I757 HydrophobicContact CB-CG1 4.43Å; F693-I757 HydrophobicContact CG-CG1 4.5Å; F693-T760 HydrophobicContact CD2-CG2 4.04Å; F693-T760 VanDerWaalsContact CD2-OG1 3.3Å; F693-T760 WeakPolarHBondContact CD2-OG1 3.14Å; F693-T760 HydrophobicContact CE2-CG2 4.22Å; F693-T760 WeakPolarHBondContact CE2-OG1 3.13Å
694	V	83.1	Confident	72.8	Confident	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-86.1	-28.2	-175.1	-177.9	0	0	0	0	114.1	L690 L691 Q692 F717 T733 L738	L690-V694 HydrophobicContact CD1-CG2 4.03Å; L690-V694 WeakPolarHBondContact O-CG2 3.49Å; L690-V694 PolarHBondContact O-N 3.24Å; L691-V694 PolarHBondContact O-N 3.3Å; Q692-V694 VanDerWaalsContact C-N 3.29Å; Q692-V694 PolarHBondContact O-N 3.05Å; V694-F717 HydrophobicContact CB-CE2 3.62Å; V694-F717 HydrophobicContact CB-CZ 4.16Å; V694-F717 HydrophobicContact CG1-CD2 3.95Å; V694-F717 HydrophobicContact CG1-CE2 3.32Å; V694-F717 HydrophobicContact CG1-CZ 3.8Å; V694-F717 HydrophobicContact CG2-CE2 3.99Å; V694-F717 HydrophobicContact CG2-CZ 4.04Å; V694-T733 VanDerWaalsContact O-CA 3.29Å; V694-T733 WeakPolarHBondContact O-CA 3.32Å; V694-L738 HydrophobicContact CG1-CB 4.14Å; V694-L738 HydrophobicContact CG2-CB 3.94Å; V694-L738 HydrophobicContact CG2-CD1 4.01Å; V694-L738 HydrophobicContact CG2-CG 4.38Å
695	T	74.1	Confident	73.3	Confident	2 Å²	2	25 Å²	25	1%	0.012	13%	0.128	C	C	.	.	H	α-helix	trans	-119.5	-8.3	-170.9	73	0	0	0	0	114	R458 L691 T697 F717 N736	R458-T695 VanDerWaalsContact CD-O 3.31Å; R458-T695 WeakPolarHBondContact CD-O 3.22Å; R458-T695 PolarHBondContact NH1-O 3.4Å; L691-T695 HydrophobicContact CD1-CG2 3.71Å; L691-T695 HydrophobicContact CG-CG2 4.42Å; L691-T695 WeakPolarHBondContact O-CB 3.2Å; L691-T695 WeakPolarHBondContact O-CG2 3.48Å; L691-T695 PolarHBondContact O-N 3.18Å; L691-T695 PolarHBondContact O-OG1 3.49Å; T695-T697 VanDerWaalsContact C-N 3.28Å; T695-T697 PolarHBondContact OG1-N 3.23Å; T695-T697 PolarHBondContact OG1-O 3.49Å; T695-F717 HydrophobicContact CG2-CD2 4.35Å; T695-N736 HydrophobicContact CG2-CB 4.15Å
696	G	64.3	Low	74.2	Confident	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.112	C	C	.	.	S	Bend	trans	81.9	0.6	-175.5	0	0	0	0	0	114.9	Q692 F763	Q692-G696 VanDerWaalsContact O-CA 3.26Å; Q692-G696 WeakPolarHBondContact O-CA 3.31Å; Q692-G696 PolarHBondContact O-N 2.79Å; G696-F763 VanDerWaalsContact CA-CZ 3.48Å
697	T	62.9	Low	74.3	Confident	13 Å²	13	21.1 Å²	21.1	8%	0.08	11%	0.112	C	C	.	.			trans	-149.2	147.2	178.5	-174.9	0	0	0	0	111.1	L691 Q692 T695 H699	L691-T697 CarbonylContact C-O 3.5Å; Q692-T697 WeakPolarHBondContact CA-O 3.14Å; Q692-T697 PolarHBondContact N-O 2.9Å; T695-T697 VanDerWaalsContact C-N 3.28Å; T695-T697 PolarHBondContact OG1-N 3.23Å; T695-T697 PolarHBondContact OG1-O 3.49Å; T697-H699 VanDerWaalsContact C-N 3.27Å; T697-H699 WeakPolarHBondContact CG2-O 3.24Å; T697-H699 PolarHBondContact OG1-N 3.25Å
698	C	63.8	Low	73.7	Confident	23 Å²	23	19.5 Å²	19.5	16%	0.155	11%	0.107	C	C	.	.	S	Bend	trans	-81.9	-5.9	171.7	50.1	0	0	0	0	113.3	Y462 A688 Q692	Y462-C698 WeakPolarHBondContact CE2-SG 3.41Å; A688-C698 HydrophobicContact CB-CB 3.96Å; Q692-C698 HydrophobicContact CB-CB 4.34Å
699	H	65.6	Low	73.4	Confident	22 Å²	22	21.1 Å²	21.1	10%	0.102	12%	0.115	C	C	.	.	P	Polyproline II helix	trans	-99.2	138.8	-173.2	-58.9	-73.3	0	0	0	112.1	C517 S646 T697	C517-H699 HydrophobicContact CB-CB 3.42Å; C517-H699 VanDerWaalsContact CB-CB 3.42Å; S646-H699 PolarHBondContact O-CE1 3.08Å; S646-H699 PolarHBondContact O-ND1 3.07Å; T697-H699 VanDerWaalsContact C-N 3.27Å; T697-H699 WeakPolarHBondContact CG2-O 3.24Å; T697-H699 PolarHBondContact OG1-N 3.25Å
700	L	70.8	Confident	73.2	Confident	4 Å²	4	16.4 Å²	16.4	2%	0.021	10%	0.099	C	C	.	.	B	Isolated β-bridge	trans	-94.7	144.5	172.5	-69	168.7	0	0	0	111.3	G647 M648 I651 L691 F705 L708	G647-L700 WeakPolarHBondContact CA-O 3.48Å; M648-L700 HydrophobicContact CB-CB 4.3Å; M648-L700 PolarHBondContact N-O 3.46Å; I651-L700 HydrophobicContact CB-CD1 4.43Å; I651-L700 HydrophobicContact CG1-CD1 4.03Å; I651-L700 HydrophobicContact CG2-CD1 4.38Å; L691-L700 HydrophobicContact CD1-CD2 4.17Å; L691-L700 HydrophobicContact CD2-CD1 4.45Å; L691-L700 HydrophobicContact CD2-CD2 3.59Å; L691-L700 HydrophobicContact CD2-CG 3.69Å; L700-F705 HydrophobicContact CD1-CD2 3.9Å; L700-F705 HydrophobicContact CD1-CE2 3.3Å; L700-F705 HydrophobicContact CD1-CZ 3.78Å; L700-F705 HydrophobicContact CD2-CD1 4.04Å; L700-F705 HydrophobicContact CD2-CD2 3.99Å; L700-F705 HydrophobicContact CD2-CE1 3.69Å; L700-F705 HydrophobicContact CD2-CE2 3.69Å; L700-F705 HydrophobicContact CD2-CG 4.15Å; L700-F705 HydrophobicContact CD2-CZ 3.52Å; L700-F705 HydrophobicContact CG-CE2 4.13Å; L700-F705 HydrophobicContact CG-CZ 4.22Å; L700-L708 HydrophobicContact CD2-CD2 4.23Å
701	P	66.7	Low	72.1	Confident	35 Å²	35	17.9 Å²	17.9	23%	0.227	11%	0.109	C	C	.	.	P	Polyproline II helix	trans	-56.8	157.1	163.9	-18.3	30.7	0	0	0	111	G703 G704 E707 L708	P701-G703 VanDerWaalsContact C-N 3.26Å; P701-G703 PolarHBondContact O-N 2.8Å; P701-G704 WeakPolarHBondContact O-CA 3.47Å; P701-G704 PolarHBondContact O-N 3.29Å; P701-E707 HydrophobicContact CB-CB 4.24Å; P701-L708 HydrophobicContact CG-CD2 4.37Å
702	L	61.2	Low	70.8	Confident	20 Å²	20	21.9 Å²	21.9	11%	0.105	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-33.9	-178.2	-69.7	170	0	0	0	114.2	F392 V396 L643 L644 M648 G704	F392-L702 HydrophobicContact CE1-CD1 3.62Å; F392-L702 HydrophobicContact CE1-CD2 3.62Å; F392-L702 HydrophobicContact CE1-CG 4.16Å; F392-L702 HydrophobicContact CE2-CD1 4.27Å; F392-L702 HydrophobicContact CZ-CD1 3.39Å; F392-L702 HydrophobicContact CZ-CD2 3.94Å; F392-L702 HydrophobicContact CZ-CG 4.3Å; V396-L702 HydrophobicContact CB-CD1 4.47Å; V396-L702 HydrophobicContact CG1-CD1 4.19Å; V396-L702 HydrophobicContact CG2-CD1 3.46Å; V396-L702 VanDerWaalsContact CG2-CD1 3.46Å; L643-L702 HydrophobicContact CB-CD2 3.64Å; L644-L702 HydrophobicContact CD1-CD1 4.15Å; M648-L702 HydrophobicContact SD-CD2 4.09Å; L702-G704 PolarHBondContact O-N 2.87Å
703	G	66.4	Low	70.4	Confident	16 Å²	16	21.4 Å²	21.4	17%	0.165	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	14.7	174.5	0	0	0	0	0	115	P701 S706 E707	P701-G703 VanDerWaalsContact C-N 3.26Å; P701-G703 PolarHBondContact O-N 2.8Å; G703-S706 PolarHBondContact O-OG 2.8Å; G703-E707 WeakPolarHBondContact CA-OE2 3.38Å; G703-E707 PolarHBondContact N-OE2 3.22Å
704	G	75.2	Confident	70.2	Confident	11 Å²	11	29 Å²	29	11%	0.113	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	68	-153	-178.9	0	0	0	0	0	113.1	D655 P701 L702 S706 E707	D655-G704 WeakPolarHBondContact OD2-CA 3.3Å; P701-G704 WeakPolarHBondContact O-CA 3.47Å; P701-G704 PolarHBondContact O-N 3.29Å; L702-G704 PolarHBondContact O-N 2.87Å; G704-S706 PolarHBondContact O-N 3.36Å; G704-E707 PolarHBondContact O-N 2.87Å
705	F	85.4	Confident	69.9	Low	0 Å²	0	31.4 Å²	31.4	0%	0	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-64.9	-22.6	-178.4	-74.8	-93.1	0	0	0	112.9	I651 D655 W656 N659 L691 L700 E707 L708 L716 F717	I651-F705 HydrophobicContact CG2-CE2 3.9Å; I651-F705 HydrophobicContact CG2-CZ 3.91Å; D655-F705 PolarHBondContact OD2-N 2.85Å; W656-F705 HydrophobicContact CB-CD1 4.16Å; W656-F705 HydrophobicContact CB-CD2 3.63Å; W656-F705 HydrophobicContact CB-CE1 3.98Å; W656-F705 HydrophobicContact CB-CE2 3.36Å; W656-F705 HydrophobicContact CB-CG 4.03Å; W656-F705 HydrophobicContact CB-CZ 3.56Å; W656-F705 AromaticContact CD1-CD1 3.26Å; W656-F705 AromaticContact CD1-CE1 3.07Å; W656-F705 AromaticContact CD1-CG 3.94Å; W656-F705 AromaticContact CD1-CZ 3.56Å; W656-F705 HydrophobicContact CD2-CD1 4.39Å; W656-F705 AromaticContact CD2-CE1 3.49Å; W656-F705 HydrophobicContact CD2-CE1 3.49Å; W656-F705 VanDerWaalsContact CD2-CE1 3.49Å; W656-F705 HydrophobicContact CD2-CE2 4.01Å; W656-F705 AromaticContact CD2-CZ 3.25Å; W656-F705 HydrophobicContact CD2-CZ 3.25Å; W656-F705 AromaticContact CE2-CE1 3.48Å; W656-F705 VanDerWaalsContact CE2-CE1 3.48Å; W656-F705 AromaticContact CE2-CZ 3.71Å; W656-F705 HydrophobicContact CE3-CE1 4.34Å; W656-F705 HydrophobicContact CE3-CE2 4.38Å; W656-F705 AromaticContact CE3-CZ 3.71Å; W656-F705 HydrophobicContact CE3-CZ 3.71Å; W656-F705 AromaticContact CG-CD1 3.7Å; W656-F705 HydrophobicContact CG-CD1 3.7Å; W656-F705 HydrophobicContact CG-CD2 4.03Å; W656-F705 AromaticContact CG-CE1 3.26Å; W656-F705 HydrophobicContact CG-CE1 3.26Å; W656-F705 AromaticContact CG-CE2 3.58Å; W656-F705 HydrophobicContact CG-CE2 3.58Å; W656-F705 HydrophobicContact CG-CG 4.09Å; W656-F705 AromaticContact CG-CZ 3.17Å; W656-F705 HydrophobicContact CG-CZ 3.17Å; W656-F705 HydrophobicContact CZ2-CE1 4.3Å; W656-F705 HydrophobicContact CZ2-CZ 4.47Å; W656-F705 HydrophobicContact CZ3-CZ 4.46Å; W656-F705 AromaticContact NE1-CD1 3.78Å; W656-F705 AromaticContact NE1-CE1 3.25Å; W656-F705 VanDerWaalsContact NE1-CE1 3.25Å; W656-F705 AromaticContact NE1-CZ 3.89Å; N659-F705 HydrophobicContact CB-CB 3.68Å; L691-F705 HydrophobicContact CD1-CE1 3.66Å; L691-F705 HydrophobicContact CD1-CZ 4.01Å; L700-F705 HydrophobicContact CD1-CD2 3.9Å; L700-F705 HydrophobicContact CD1-CE2 3.3Å; L700-F705 HydrophobicContact CD1-CZ 3.78Å; L700-F705 HydrophobicContact CD2-CD1 4.04Å; L700-F705 HydrophobicContact CD2-CD2 3.99Å; L700-F705 HydrophobicContact CD2-CE1 3.69Å; L700-F705 HydrophobicContact CD2-CE2 3.69Å; L700-F705 HydrophobicContact CD2-CG 4.15Å; L700-F705 HydrophobicContact CD2-CZ 3.52Å; L700-F705 HydrophobicContact CG-CE2 4.13Å; L700-F705 HydrophobicContact CG-CZ 4.22Å; F705-E707 PolarHBondContact O-N 2.81Å; F705-L708 HydrophobicContact CB-CD1 4.27Å; F705-L708 HydrophobicContact CD1-CD1 3.47Å; F705-L708 VanDerWaalsContact CD1-CD1 3.47Å; F705-L708 HydrophobicContact CD1-CG 4.4Å; F705-L708 HydrophobicContact CE1-CD1 4.19Å; F705-L708 HydrophobicContact CG-CD1 4.24Å; F705-L708 PolarHBondContact O-N 3.32Å; F705-L716 WeakPolarHBondContact O-CD2 3.3Å; F705-F717 HydrophobicContact CD1-CB 4.29Å
706	S	87.1	Confident	70.8	Confident	25 Å²	25	32.8 Å²	32.8	18%	0.175	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-66.7	-21.5	178.1	82.2	0	0	0	0	113.8	N659 G703 G704 R714	N659-S706 WeakPolarHBondContact OD1-CB 3.45Å; G703-S706 PolarHBondContact O-OG 2.8Å; G704-S706 PolarHBondContact O-N 3.36Å; S706-R714 VanDerWaalsContact O-CZ 3.28Å; S706-R714 PolarHBondContact O-NE 2.87Å; S706-R714 PolarHBondContact O-NH2 3.35Å
707	E	76.6	Confident	72.1	Confident	48 Å²	48	32.8 Å²	32.8	22%	0.224	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-113.1	13.9	-178.7	-67.5	-170.1	172.6	0	0	113.1	R393 P701 G703 G704 F705 T709	R393-E707 IonicContact CZ-OE1 3.21Å; R393-E707 IonicContact NE-OE1 3.05Å; R393-E707 PolarHBondContact NE-OE1 3.35Å; R393-E707 VanDerWaalsContact NE-OE1 3.16Å; R393-E707 IonicContact NH2-OE1 2.61Å; R393-E707 PolarHBondContact NH2-OE1 3.46Å; P701-E707 HydrophobicContact CB-CB 4.24Å; G703-E707 WeakPolarHBondContact CA-OE2 3.38Å; G703-E707 PolarHBondContact N-OE2 3.22Å; G704-E707 PolarHBondContact O-N 2.87Å; F705-E707 PolarHBondContact O-N 2.81Å; E707-T709 PolarHBondContact O-N 3.3Å
708	L	74.9	Confident	73.6	Confident	7 Å²	7	32.4 Å²	32.4	4%	0.037	20%	0.202	C	C	.	.			trans	-52.7	140.9	172.2	-82.7	171.4	0	0	0	111.3	L700 P701 F705 R714 Q715 F717	L700-L708 HydrophobicContact CD2-CD2 4.23Å; P701-L708 HydrophobicContact CG-CD2 4.37Å; F705-L708 HydrophobicContact CB-CD1 4.27Å; F705-L708 HydrophobicContact CD1-CD1 3.47Å; F705-L708 VanDerWaalsContact CD1-CD1 3.47Å; F705-L708 HydrophobicContact CD1-CG 4.4Å; F705-L708 HydrophobicContact CE1-CD1 4.19Å; F705-L708 HydrophobicContact CG-CD1 4.24Å; F705-L708 PolarHBondContact O-N 3.32Å; L708-R714 CarbonylContact O-C 3.54Å; L708-R714 WeakPolarHBondContact O-CA 3.22Å; L708-Q715 CarbonylContact C-O 3.51Å; L708-Q715 WeakPolarHBondContact CB-O 3.44Å; L708-Q715 CarbonylContact O-C 3.47Å; L708-Q715 PolarHBondContact O-N 3.03Å; L708-Q715 VanDerWaalsContact O-O 3.12Å; L708-F717 HydrophobicContact CD1-CB 3.91Å
709	T	68	Low	75.2	Confident	54 Å²	54	31.3 Å²	31.3	33%	0.331	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	150.8	179	58.9	0	0	0	0	110.3	R458 E707 G713 N736	R458-T709 PolarHBondContact NH2-O 3.24Å; E707-T709 PolarHBondContact O-N 3.3Å; T709-G713 CarbonylContact C-O 3.6Å; T709-G713 WeakPolarHBondContact CA-O 3.4Å; T709-N736 PolarHBondContact O-ND2 3.17Å
710	G	65.4	Low	76.7	Confident	6 Å²	6	31.2 Å²	31.2	6%	0.062	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	-157.2	171.6	0	0	0	0	0	110.5	G712 G713 C734	G710-G712 VanDerWaalsContact C-N 3.32Å; G710-G712 PolarHBondContact O-N 2.72Å; G710-G713 PolarHBondContact N-O 2.75Å; G710-C734 CarbonylContact C-O 3.27Å; G710-C734 WeakPolarHBondContact CA-O 3.29Å
711	S	63.1	Low	77.9	Confident	31 Å²	31	37 Å²	37	22%	0.217	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-40.2	172.6	21.8	0	0	0	0	114.4	Y453 C734	Y453-S711 WeakPolarHBondContact O-CA 3.28Å; Y453-S711 WeakPolarHBondContact O-CB 3.45Å; Y453-S711 PolarHBondContact O-N 2.71Å; S711-C734 PolarHBondContact N-O 2.86Å; S711-C734 PolarHBondContact OG-O 3.43Å
712	G	56.7	Low	79.1	Confident	84 Å²	84	36.5 Å²	36.5	87%	0.866	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97	7.7	-169.2	0	0	0	0	0	114.6	G710	G710-G712 VanDerWaalsContact C-N 3.32Å; G710-G712 PolarHBondContact O-N 2.72Å
713	G	66.7	Low	80.5	Confident	35 Å²	35	37.3 Å²	37.3	36%	0.361	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	111.3	-144.2	-172.2	0	0	0	0	0	111.8	T709 G710 Q715	T709-G713 CarbonylContact C-O 3.6Å; T709-G713 WeakPolarHBondContact CA-O 3.4Å; G710-G713 PolarHBondContact N-O 2.75Å; G713-Q715 PolarHBondContact O-N 3.05Å
714	R	76.7	Confident	81.7	Confident	174 Å²	174	39.3 Å²	39.3	66%	0.657	23%	0.233	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-62.8	122.2	-175.3	-173	178	172.8	-132.9	-1.2	111.4	S706 L708	S706-R714 VanDerWaalsContact O-CZ 3.28Å; S706-R714 PolarHBondContact O-NE 2.87Å; S706-R714 PolarHBondContact O-NH2 3.35Å; L708-R714 CarbonylContact O-C 3.54Å; L708-R714 WeakPolarHBondContact O-CA 3.22Å
715	Q	77.4	Confident	82.5	Confident	49 Å²	49	42.3 Å²	42.3	23%	0.229	24%	0.244	C	C	.	.			trans	-147.6	113.6	-175.4	179.1	64.1	39.1	0	0	109	L708 G713 F735 N736	L708-Q715 CarbonylContact C-O 3.51Å; L708-Q715 WeakPolarHBondContact CB-O 3.44Å; L708-Q715 CarbonylContact O-C 3.47Å; L708-Q715 PolarHBondContact O-N 3.03Å; L708-Q715 VanDerWaalsContact O-O 3.12Å; G713-Q715 PolarHBondContact O-N 3.05Å; Q715-F735 VanDerWaalsContact CG-O 3.22Å; Q715-F735 WeakPolarHBondContact CG-O 3.35Å; Q715-F735 PolarHBondContact NE2-O 3.32Å; Q715-N736 PolarHBondContact O-ND2 3.01Å
716	L	91	Very high	82.8	Confident	31 Å²	31	49.2 Å²	49.2	16%	0.162	28%	0.276	C	S	.	.			trans	-70.4	163.3	-179.2	-61.6	-179.3	0	0	0	112.1	V661 F705	V661-L716 HydrophobicContact CG1-CB 4.47Å; V661-L716 HydrophobicContact CG1-CD1 3.98Å; F705-L716 WeakPolarHBondContact O-CD2 3.3Å
717	F	92.6	Very high	83	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	29%	0.288	C	S	.	.			trans	-64	132.2	170	-170.7	-87.6	0	0	0	110.3	W656 T660 V661 F675 V694 T695 F705 L708 I719	W656-F717 AromaticContact CE2-CE2 3.88Å; W656-F717 AromaticContact CE2-CZ 3.97Å; W656-F717 HydrophobicContact CZ2-CD2 4.2Å; W656-F717 HydrophobicContact CZ2-CE1 4.36Å; W656-F717 AromaticContact CZ2-CE2 3.56Å; W656-F717 HydrophobicContact CZ2-CE2 3.56Å; W656-F717 AromaticContact CZ2-CZ 3.66Å; W656-F717 HydrophobicContact CZ2-CZ 3.66Å; W656-F717 AromaticContact NE1-CD1 3.38Å; W656-F717 AromaticContact NE1-CD2 3.42Å; W656-F717 AromaticContact NE1-CE1 3.57Å; W656-F717 AromaticContact NE1-CE2 3.57Å; W656-F717 AromaticContact NE1-CG 3.32Å; W656-F717 VanDerWaalsContact NE1-CG 3.32Å; W656-F717 AromaticContact NE1-CZ 3.66Å; T660-F717 WeakPolarHBondContact CA-O 3.3Å; T660-F717 HydrophobicContact CG2-CD1 3.81Å; T660-F717 HydrophobicContact CG2-CE1 4.44Å; V661-F717 WeakPolarHBondContact CG2-O 3.42Å; V661-F717 PolarHBondContact N-O 3.48Å; F675-F717 HydrophobicContact CZ-CE1 4.37Å; F675-F717 HydrophobicContact CZ-CZ 4.36Å; V694-F717 HydrophobicContact CB-CE2 3.62Å; V694-F717 HydrophobicContact CB-CZ 4.16Å; V694-F717 HydrophobicContact CG1-CD2 3.95Å; V694-F717 HydrophobicContact CG1-CE2 3.32Å; V694-F717 HydrophobicContact CG1-CZ 3.8Å; V694-F717 HydrophobicContact CG2-CE2 3.99Å; V694-F717 HydrophobicContact CG2-CZ 4.04Å; T695-F717 HydrophobicContact CG2-CD2 4.35Å; F705-F717 HydrophobicContact CD1-CB 4.29Å; L708-F717 HydrophobicContact CD1-CB 3.91Å; F717-I719 HydrophobicContact CD1-CG1 4.27Å; F717-I719 HydrophobicContact CE1-CD1 4.05Å; F717-I719 HydrophobicContact CE1-CG1 3.66Å
718	C	94.5	Very high	83.7	Confident	5 Å²	5	53.9 Å²	53.9	3%	0.034	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	136.2	-173.9	-177.9	0	0	0	0	111.4	V661 I663 N736 R737 L738	V661-C718 HydrophobicContact CG2-CB 3.7Å; V661-C718 CarbonylContact O-C 3.54Å; V661-C718 VanDerWaalsContact O-CA 3.31Å; V661-C718 WeakPolarHBondContact O-CA 3.27Å; I663-C718 WeakPolarHBondContact CD1-SG 3.31Å; C718-N736 PolarHBondContact N-O 2.89Å; C718-R737 HydrophobicContact CB-CB 4.21Å; C718-R737 HydrophobicContact CB-CG 4.15Å; C718-R737 CarbonylContact O-C 3.58Å; C718-R737 VanDerWaalsContact O-CA 3.3Å; C718-R737 WeakPolarHBondContact O-CA 3.49Å; C718-L738 PolarHBondContact O-N 2.79Å
719	I	97.6	Very high	84.5	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	123.1	168.8	-53.9	-178.7	0	0	0	109	T660 V661 Y662 I663 Y665 I672 F675 F717 L738 L740	T660-I719 HydrophobicContact CG2-CD1 4.27Å; T660-I719 HydrophobicContact CG2-CG1 4.12Å; V661-I719 PolarHBondContact O-N 2.89Å; Y662-I719 WeakPolarHBondContact CA-O 3.44Å; Y662-I719 HydrophobicContact CD1-CB 4.15Å; Y662-I719 HydrophobicContact CE1-CD1 4.18Å; I663-I719 PolarHBondContact N-O 2.84Å; Y665-I719 HydrophobicContact CD2-CG2 4.23Å; I672-I719 HydrophobicContact CD1-CB 4.22Å; I672-I719 HydrophobicContact CD1-CD1 4.15Å; I672-I719 HydrophobicContact CD1-CG2 3.79Å; F675-I719 HydrophobicContact CD1-CD1 3.67Å; F675-I719 HydrophobicContact CD2-CD1 4.37Å; F675-I719 HydrophobicContact CE1-CD1 3.59Å; F675-I719 HydrophobicContact CE2-CD1 4.3Å; F675-I719 HydrophobicContact CG-CD1 4.08Å; F675-I719 HydrophobicContact CZ-CD1 3.92Å; F717-I719 HydrophobicContact CD1-CG1 4.27Å; F717-I719 HydrophobicContact CE1-CD1 4.05Å; F717-I719 HydrophobicContact CE1-CG1 3.66Å; I719-L738 WeakPolarHBondContact CA-O 3.44Å; I719-L738 HydrophobicContact CG1-CB 4.49Å; I719-L740 HydrophobicContact CG2-CB 3.66Å; I719-L740 HydrophobicContact CG2-CD2 3.87Å; I719-L740 HydrophobicContact CG2-CG 4.43Å
720	E	96.7	Very high	85.4	Confident	20 Å²	20	57.3 Å²	57.3	9%	0.093	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	137.8	177.6	-175.7	169.2	175.9	0	0	111.8	I663 K664 T722 R737 L738 L740	I663-E720 HydrophobicContact CB-CB 3.97Å; I663-E720 HydrophobicContact CB-CG 3.8Å; I663-E720 HydrophobicContact CG2-CB 4.43Å; I663-E720 HydrophobicContact CG2-CG 3.72Å; I663-E720 VanDerWaalsContact O-CA 3.31Å; I663-E720 WeakPolarHBondContact O-CA 3.29Å; K664-E720 HydrophobicContact CD-CG 4.42Å; K664-E720 IonicContact NZ-OE1 3.86Å; K664-E720 PolarHBondContact NZ-OE1 3.28Å; E720-T722 HydrophobicContact CB-CG2 4.27Å; E720-T722 HydrophobicContact CG-CG2 3.79Å; E720-T722 PolarHBondContact O-N 2.9Å; E720-R737 HydrophobicContact CB-CG 4.27Å; E720-R737 WeakPolarHBondContact OE2-CD 3.45Å; E720-R737 IonicContact OE2-CZ 3.97Å; E720-R737 IonicContact OE2-NE 3.7Å; E720-R737 IonicContact OE2-NH1 2.76Å; E720-R737 PolarHBondContact OE2-NH1 2.82Å; E720-L738 PolarHBondContact N-O 3.11Å; E720-L740 PolarHBondContact O-N 2.91Å
721	R	97.1	Very high	86.2	Confident	126 Å²	126	58.4 Å²	58.4	48%	0.475	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	116.4	168	-175.6	-179.5	169	-174.1	-0.9	110.4	I663 K664 Y665 P742	I663-R721 PolarHBondContact O-N 3.46Å; K664-R721 HydrophobicContact CB-CB 3.75Å; K664-R721 WeakPolarHBondContact CD-O 3.31Å; Y665-R721 HydrophobicContact CD1-CB 4.22Å; Y665-R721 HydrophobicContact CD2-CB 3.69Å; Y665-R721 HydrophobicContact CE1-CB 3.98Å; Y665-R721 HydrophobicContact CE1-CG 3.99Å; Y665-R721 VanDerWaalsContact CE2-CA 3.43Å; Y665-R721 HydrophobicContact CE2-CB 3.43Å; Y665-R721 VanDerWaalsContact CE2-CB 3.43Å; Y665-R721 HydrophobicContact CE2-CG 3.99Å; Y665-R721 HydrophobicContact CG-CB 4.08Å; R721-P742 HydrophobicContact CG-CB 4.48Å
722	T	91.6	Very high	87	Confident	24 Å²	24	60 Å²	60	15%	0.147	31%	0.309	C	S	.	.			trans	-141.8	150.8	-180	57.9	0	0	0	0	111.3	E720 D739 P741	E720-T722 HydrophobicContact CB-CG2 4.27Å; E720-T722 HydrophobicContact CG-CG2 3.79Å; E720-T722 PolarHBondContact O-N 2.9Å; T722-D739 HydrophobicContact CG2-CB 4.09Å; T722-D739 WeakPolarHBondContact OG1-CA 3.32Å; T722-D739 WeakPolarHBondContact OG1-CB 3.24Å; T722-P741 VanDerWaalsContact O-CA 3.25Å; T722-P741 WeakPolarHBondContact O-CA 3.44Å
723	G	90.3	Very high	87.6	Confident	38 Å²	38	56.4 Å²	56.4	39%	0.392	27%	0.271	S	S	.	.	S	Bend	trans	70.8	-167.3	173.8	0	0	0	0	0	114.8	P742	G723-P742 WeakPolarHBondContact O-CD 3.46Å
724	D	92.1	Very high	87.6	Confident	58 Å²	58	55.5 Å²	55.5	31%	0.31	26%	0.259	S	S	.	.			trans	-112.4	170.5	176.9	66.1	46.8	0	0	0	111.5	Q726 W727 P741	D724-Q726 PolarHBondContact O-N 2.9Å; D724-Q726 WeakPolarHBondContact OD1-CA 3.33Å; D724-Q726 WeakPolarHBondContact OD1-CB 3.32Å; D724-Q726 PolarHBondContact OD1-N 2.81Å; D724-W727 VanDerWaalsContact CG-CD1 3.41Å; D724-W727 PolarHBondContact O-N 2.86Å; D724-W727 VanDerWaalsContact O-N 3.12Å; D724-W727 PolarHBondContact OD1-N 2.8Å; D724-W727 PolarHBondContact OD1-NE1 2.85Å; D724-W727 PolarHBondContact OD2-NE1 2.78Å; D724-P741 WeakPolarHBondContact O-CB 3.24Å
725	E	92.1	Very high	87.6	Confident	74 Å²	74	51 Å²	51	35%	0.346	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-12.1	-178.4	62	-93	-151.2	0	0	115.4	Y743 Q748	E725-Y743 WeakPolarHBondContact O-CD1 3.16Å; E725-Y743 WeakPolarHBondContact O-CE1 3.39Å; E725-Q748 PolarHBondContact O-NE2 3.04Å
726	Q	91.2	Very high	87.8	Confident	145 Å²	145	48.6 Å²	48.6	68%	0.678	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86	-27.9	178.6	-51.2	-176.1	3.2	0	0	111.7	D724 K752	D724-Q726 PolarHBondContact O-N 2.9Å; D724-Q726 WeakPolarHBondContact OD1-CA 3.33Å; D724-Q726 WeakPolarHBondContact OD1-CB 3.32Å; D724-Q726 PolarHBondContact OD1-N 2.81Å; Q726-K752 PolarHBondContact O-NZ 3.27Å
727	W	91.6	Very high	87.7	Confident	114 Å²	114	50 Å²	50	43%	0.432	24%	0.236	S	C	.	.	S	Bend	trans	-65.4	149.4	-175.8	-68.8	23.1	0	0	0	111.5	D724 P741 Y743	D724-W727 VanDerWaalsContact CG-CD1 3.41Å; D724-W727 PolarHBondContact O-N 2.86Å; D724-W727 VanDerWaalsContact O-N 3.12Å; D724-W727 PolarHBondContact OD1-N 2.8Å; D724-W727 PolarHBondContact OD1-NE1 2.85Å; D724-W727 PolarHBondContact OD2-NE1 2.78Å; W727-P741 HydrophobicContact CB-CG 3.96Å; W727-Y743 WeakPolarHBondContact O-CE1 3.48Å; W727-Y743 PolarHBondContact O-OH 3.38Å
728	L	90.7	Very high	87.8	Confident	57 Å²	57	50 Å²	50	30%	0.298	24%	0.236	S	C	.	.	P	Polyproline II helix	trans	-78.7	151.2	165.7	-73.7	168.9	0	0	0	109.9	K752 M755	L728-K752 HydrophobicContact CD2-CB 4.23Å; L728-K752 HydrophobicContact CD2-CD 3.55Å; L728-K752 WeakPolarHBondContact CD2-O 3.44Å; L728-K752 HydrophobicContact CG-CD 4.43Å; L728-M755 HydrophobicContact CD1-CG 4.48Å; L728-M755 HydrophobicContact CD1-SD 4.25Å; L728-M755 HydrophobicContact CD2-CB 4.08Å; L728-M755 HydrophobicContact CD2-CG 3.99Å; L728-M755 HydrophobicContact CD2-SD 3.71Å
729	P	91.1	Very high	87.8	Confident	4 Å²	4	50 Å²	50	3%	0.026	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-61.9	146.5	170.7	-18.5	34.5	0	0	0	110.1	L738 D739 L740 Y743 K752 L753 A756	P729-L738 HydrophobicContact CB-CD1 3.97Å; P729-D739 VanDerWaalsContact CA-O 3.27Å; P729-D739 WeakPolarHBondContact CA-O 3.28Å; P729-L740 HydrophobicContact CG-CD1 4.39Å; P729-Y743 WeakPolarHBondContact CD-OH 3.33Å; P729-Y743 HydrophobicContact CG-CE2 4.14Å; P729-Y743 WeakPolarHBondContact CG-OH 3.48Å; P729-K752 WeakPolarHBondContact CD-O 3.47Å; P729-L753 HydrophobicContact CB-CD1 4.07Å; P729-L753 HydrophobicContact CG-CB 4.47Å; P729-L753 HydrophobicContact CG-CD1 3.93Å; P729-A756 HydrophobicContact CB-CB 4.48Å; P729-A756 HydrophobicContact CG-CB 4.46Å
730	R	87.4	Confident	87.7	Confident	128 Å²	128	50 Å²	50	48%	0.483	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	160.6	177.4	-66.5	-177.3	-63	175.7	3.7	110.4	D739	R730-D739 HydrophobicContact CB-CB 4.11Å; R730-D739 PolarHBondContact N-O 2.78Å; R730-D739 VanDerWaalsContact N-O 3.13Å; R730-D739 WeakPolarHBondContact O-CB 3.36Å; R730-D739 PolarHBondContact O-N 2.9Å
731	S	81.8	Confident	87.7	Confident	29 Å²	29	49.1 Å²	49.1	20%	0.203	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	149.6	178.1	64.3	0	0	0	0	112.8	F693 R737	F693-S731 WeakPolarHBondContact O-CB 3.36Å; F693-S731 PolarHBondContact O-OG 3.08Å; S731-R737 CarbonylContact C-O 3.52Å; S731-R737 WeakPolarHBondContact CA-O 3.42Å
732	H	79.2	Confident	87.7	Confident	64 Å²	64	44 Å²	44	30%	0.296	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	85.9	168.4	-56.7	-97.8	0	0	0	107.9	C734 F735 N736 R737 D739	H732-C734 PolarHBondContact O-N 2.91Å; H732-C734 VanDerWaalsContact O-N 3.11Å; H732-F735 HydrophobicContact CB-CD2 3.89Å; H732-F735 PolarHBondContact O-N 2.8Å; H732-N736 PolarHBondContact O-N 3.12Å; H732-N736 VanDerWaalsContact O-N 3.12Å; H732-R737 HydrophobicContact CB-CB 4.34Å; H732-R737 PolarHBondContact CD2-NH2 2.9Å; H732-R737 PolarHBondContact CE1-NH2 2.85Å; H732-R737 PolarHBondContact N-O 2.85Å; H732-R737 PolarHBondContact NE2-NH2 3.27Å; H732-R737 VanDerWaalsContact NE2-NH2 3.11Å; H732-R737 PolarHBondContact O-N 3.34Å; H732-D739 IonicContact CD2-OD1 3.8Å; H732-D739 PolarHBondContact CD2-OD1 3.36Å; H732-D739 IonicContact CD2-OD2 3.55Å; H732-D739 PolarHBondContact CD2-OD2 3.07Å; H732-D739 IonicContact CE1-OD2 3.19Å; H732-D739 IonicContact NE2-OD1 3.5Å; H732-D739 IonicContact NE2-OD2 2.73Å; H732-D739 PolarHBondContact NE2-OD2 3.38Å
733	T	70.3	Confident	88	Confident	10 Å²	10	42.8 Å²	42.8	6%	0.061	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-57.7	-28.9	-171.9	55.6	0	0	0	0	114.4	R458 V694 F735 N736 F763	R458-T733 PolarHBondContact NH1-O 2.92Å; V694-T733 VanDerWaalsContact O-CA 3.29Å; V694-T733 WeakPolarHBondContact O-CA 3.32Å; T733-F735 PolarHBondContact O-N 2.88Å; T733-N736 PolarHBondContact O-N 2.84Å; T733-N736 PolarHBondContact O-OD1 3.41Å; T733-F763 HydrophobicContact CG2-CD1 3.46Å; T733-F763 VanDerWaalsContact CG2-CD1 3.46Å; T733-F763 HydrophobicContact CG2-CE1 3.34Å; T733-F763 HydrophobicContact CG2-CG 4.23Å; T733-F763 HydrophobicContact CG2-CZ 4.04Å
734	C	66.5	Low	88.3	Confident	16 Å²	16	46.2 Å²	46.2	11%	0.108	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-64.3	-28.8	177.1	-57.4	0	0	0	0	113.1	Y453 G710 S711 H732	Y453-C734 VanDerWaalsContact CB-CB 3.44Å; Y453-C734 WeakPolarHBondContact CB-SG 3.44Å; Y453-C734 HydrophobicContact CG-CB 4.47Å; G710-C734 CarbonylContact C-O 3.27Å; G710-C734 WeakPolarHBondContact CA-O 3.29Å; S711-C734 PolarHBondContact N-O 2.86Å; S711-C734 PolarHBondContact OG-O 3.43Å; H732-C734 PolarHBondContact O-N 2.91Å; H732-C734 VanDerWaalsContact O-N 3.11Å
735	F	76.1	Confident	88.6	Confident	78 Å²	78	45.7 Å²	45.7	34%	0.342	22%	0.217	S	C	.	.	G	3₁₀ helix	trans	-112.5	2.4	-178.3	-51.4	-64.8	0	0	0	113	Q715 H732 T733 R737	Q715-F735 VanDerWaalsContact CG-O 3.22Å; Q715-F735 WeakPolarHBondContact CG-O 3.35Å; Q715-F735 PolarHBondContact NE2-O 3.32Å; H732-F735 HydrophobicContact CB-CD2 3.89Å; H732-F735 PolarHBondContact O-N 2.8Å; T733-F735 PolarHBondContact O-N 2.88Å; F735-R737 HydrophobicContact CB-CB 4.32Å; F735-R737 PolarHBondContact O-N 3.44Å
736	N	81.9	Confident	88.8	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.7	39.2	-172.3	-54.3	-35.1	0	0	0	112	T695 T709 Q715 C718 H732 T733	T695-N736 HydrophobicContact CG2-CB 4.15Å; T709-N736 PolarHBondContact O-ND2 3.17Å; Q715-N736 PolarHBondContact O-ND2 3.01Å; C718-N736 PolarHBondContact N-O 2.89Å; H732-N736 PolarHBondContact O-N 3.12Å; H732-N736 VanDerWaalsContact O-N 3.12Å; T733-N736 PolarHBondContact O-N 2.84Å; T733-N736 PolarHBondContact O-OD1 3.41Å
737	R	89.7	Confident	89.1	Confident	61 Å²	61	42.4 Å²	42.4	23%	0.23	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	129.8	-174.3	-172.4	179	76.5	-165.6	-15.1	112.2	C718 E720 S731 H732 F735 D739	C718-R737 HydrophobicContact CB-CB 4.21Å; C718-R737 HydrophobicContact CB-CG 4.15Å; C718-R737 CarbonylContact O-C 3.58Å; C718-R737 VanDerWaalsContact O-CA 3.3Å; C718-R737 WeakPolarHBondContact O-CA 3.49Å; E720-R737 HydrophobicContact CB-CG 4.27Å; E720-R737 WeakPolarHBondContact OE2-CD 3.45Å; E720-R737 IonicContact OE2-CZ 3.97Å; E720-R737 IonicContact OE2-NE 3.7Å; E720-R737 IonicContact OE2-NH1 2.76Å; E720-R737 PolarHBondContact OE2-NH1 2.82Å; S731-R737 CarbonylContact C-O 3.52Å; S731-R737 WeakPolarHBondContact CA-O 3.42Å; H732-R737 HydrophobicContact CB-CB 4.34Å; H732-R737 PolarHBondContact CD2-NH2 2.9Å; H732-R737 PolarHBondContact CE1-NH2 2.85Å; H732-R737 PolarHBondContact N-O 2.85Å; H732-R737 PolarHBondContact NE2-NH2 3.27Å; H732-R737 VanDerWaalsContact NE2-NH2 3.11Å; H732-R737 PolarHBondContact O-N 3.34Å; F735-R737 HydrophobicContact CB-CB 4.32Å; F735-R737 PolarHBondContact O-N 3.44Å; R737-D739 IonicContact CZ-OD1 3.01Å; R737-D739 IonicContact NE-OD1 3.1Å; R737-D739 PolarHBondContact NE-OD1 3.41Å; R737-D739 IonicContact NH2-OD1 3.54Å
738	L	93.5	Very high	89.3	Confident	0 Å²	0	39 Å²	39	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	118.1	167.5	178.1	65.2	0	0	0	109.7	F675 F693 V694 C718 I719 E720 P729 L740 L753	F675-L738 HydrophobicContact CD2-CD2 4.25Å; F675-L738 HydrophobicContact CE2-CD2 3.56Å; F675-L738 HydrophobicContact CZ-CD2 4.19Å; F693-L738 HydrophobicContact CD1-CD1 4.33Å; F693-L738 HydrophobicContact CE1-CD1 3.79Å; V694-L738 HydrophobicContact CG1-CB 4.14Å; V694-L738 HydrophobicContact CG2-CB 3.94Å; V694-L738 HydrophobicContact CG2-CD1 4.01Å; V694-L738 HydrophobicContact CG2-CG 4.38Å; C718-L738 PolarHBondContact O-N 2.79Å; I719-L738 WeakPolarHBondContact CA-O 3.44Å; I719-L738 HydrophobicContact CG1-CB 4.49Å; E720-L738 PolarHBondContact N-O 3.11Å; P729-L738 HydrophobicContact CB-CD1 3.97Å; L738-L740 HydrophobicContact CG-CB 4.37Å; L738-L740 PolarHBondContact O-N 2.87Å; L738-L753 HydrophobicContact CD1-CD1 4.42Å; L738-L753 HydrophobicContact CD2-CD1 4.42Å
739	D	94.5	Very high	89.6	Confident	5 Å²	5	36.3 Å²	36.3	3%	0.027	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	100.2	171.1	-78.3	14.1	0	0	0	107.2	T722 P729 R730 H732 R737 P741	T722-D739 HydrophobicContact CG2-CB 4.09Å; T722-D739 WeakPolarHBondContact OG1-CA 3.32Å; T722-D739 WeakPolarHBondContact OG1-CB 3.24Å; P729-D739 VanDerWaalsContact CA-O 3.27Å; P729-D739 WeakPolarHBondContact CA-O 3.28Å; R730-D739 HydrophobicContact CB-CB 4.11Å; R730-D739 PolarHBondContact N-O 2.78Å; R730-D739 VanDerWaalsContact N-O 3.13Å; R730-D739 WeakPolarHBondContact O-CB 3.36Å; R730-D739 PolarHBondContact O-N 2.9Å; H732-D739 IonicContact CD2-OD1 3.8Å; H732-D739 PolarHBondContact CD2-OD1 3.36Å; H732-D739 IonicContact CD2-OD2 3.55Å; H732-D739 PolarHBondContact CD2-OD2 3.07Å; H732-D739 IonicContact CE1-OD2 3.19Å; H732-D739 IonicContact NE2-OD1 3.5Å; H732-D739 IonicContact NE2-OD2 2.73Å; H732-D739 PolarHBondContact NE2-OD2 3.38Å; R737-D739 IonicContact CZ-OD1 3.01Å; R737-D739 IonicContact NE-OD1 3.1Å; R737-D739 PolarHBondContact NE-OD1 3.41Å; R737-D739 IonicContact NH2-OD1 3.54Å; D739-P741 WeakPolarHBondContact O-CD 3.38Å
740	L	96.6	Very high	89.7	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	109.8	-172.8	-176.2	67.1	0	0	0	111.3	Y665 Q671 I672 F675 I719 E720 P729 L738 Y743 L749	Y665-L740 HydrophobicContact CE2-CB 4.24Å; Y665-L740 HydrophobicContact CE2-CD2 4.43Å; Y665-L740 WeakPolarHBondContact CE2-O 3.1Å; Y665-L740 PolarHBondContact OH-O 3.2Å; Q671-L740 HydrophobicContact CB-CD2 4.32Å; I672-L740 HydrophobicContact CD1-CD2 4.42Å; F675-L740 HydrophobicContact CB-CD2 4.47Å; F675-L740 HydrophobicContact CD2-CD2 4.46Å; I719-L740 HydrophobicContact CG2-CB 3.66Å; I719-L740 HydrophobicContact CG2-CD2 3.87Å; I719-L740 HydrophobicContact CG2-CG 4.43Å; E720-L740 PolarHBondContact O-N 2.91Å; P729-L740 HydrophobicContact CG-CD1 4.39Å; L738-L740 HydrophobicContact CG-CB 4.37Å; L738-L740 PolarHBondContact O-N 2.87Å; L740-Y743 HydrophobicContact CD1-CD2 4.42Å; L740-Y743 HydrophobicContact CD1-CE2 4.04Å; L740-L749 HydrophobicContact CD1-CD1 4.45Å; L740-L749 HydrophobicContact CD2-CD1 4.41Å
741	P	97	Very high	90	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.006	19%	0.189	C	C	.	.			trans	-64.5	155	179.1	-22.2	33.5	0	0	0	114.5	Y665 T722 D724 W727 D739 Y743	Y665-P741 PolarHBondContact OH-O 3.48Å; T722-P741 VanDerWaalsContact O-CA 3.25Å; T722-P741 WeakPolarHBondContact O-CA 3.44Å; D724-P741 WeakPolarHBondContact O-CB 3.24Å; W727-P741 HydrophobicContact CB-CG 3.96Å; D739-P741 WeakPolarHBondContact O-CD 3.38Å; P741-Y743 HydrophobicContact CB-CD1 4.45Å; P741-Y743 HydrophobicContact CB-CE1 3.92Å; P741-Y743 HydrophobicContact CB-CE2 4.36Å; P741-Y743 HydrophobicContact CG-CE1 4.29Å; P741-Y743 HydrophobicContact CG-CE2 4.45Å; P741-Y743 WeakPolarHBondContact CG-OH 3.42Å; P741-Y743 PolarHBondContact O-N 3.08Å
742	P	97.1	Very high	90.5	Very high	17 Å²	17	37.7 Å²	37.7	11%	0.11	19%	0.189	C	C	.	.			trans	-78.1	61.3	-176.9	34.4	-36.7	0	0	0	112.1	Y665 R721 G723	Y665-P742 VanDerWaalsContact OH-CA 3.28Å; Y665-P742 WeakPolarHBondContact OH-CA 3.38Å; R721-P742 HydrophobicContact CG-CB 4.48Å; G723-P742 WeakPolarHBondContact O-CD 3.46Å
743	Y	97.8	Very high	91	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.176	C	C	.	.			trans	-52.2	151.3	-179.2	-62.2	-53.8	0	0	0	113.2	Q671 W674 E725 W727 P729 L740 P741 Q748 L749 K752	Q671-Y743 PolarHBondContact NE2-O 2.96Å; W674-Y743 WeakPolarHBondContact CZ3-O 3.08Å; E725-Y743 WeakPolarHBondContact O-CD1 3.16Å; E725-Y743 WeakPolarHBondContact O-CE1 3.39Å; W727-Y743 WeakPolarHBondContact O-CE1 3.48Å; W727-Y743 PolarHBondContact O-OH 3.38Å; P729-Y743 WeakPolarHBondContact CD-OH 3.33Å; P729-Y743 HydrophobicContact CG-CE2 4.14Å; P729-Y743 WeakPolarHBondContact CG-OH 3.48Å; L740-Y743 HydrophobicContact CD1-CD2 4.42Å; L740-Y743 HydrophobicContact CD1-CE2 4.04Å; P741-Y743 HydrophobicContact CB-CD1 4.45Å; P741-Y743 HydrophobicContact CB-CE1 3.92Å; P741-Y743 HydrophobicContact CB-CE2 4.36Å; P741-Y743 HydrophobicContact CG-CE1 4.29Å; P741-Y743 HydrophobicContact CG-CE2 4.45Å; P741-Y743 WeakPolarHBondContact CG-OH 3.42Å; P741-Y743 PolarHBondContact O-N 3.08Å; Y743-Q748 HydrophobicContact CD1-CG 3.79Å; Y743-Q748 HydrophobicContact CG-CG 4.21Å; Y743-L749 HydrophobicContact CD2-CB 3.76Å; Y743-L749 HydrophobicContact CD2-CD1 4.25Å; Y743-L749 HydrophobicContact CD2-CG 3.94Å; Y743-L749 HydrophobicContact CG-CB 4.34Å; Y743-K752 HydrophobicContact CD1-CG 4.4Å; Y743-K752 HydrophobicContact CE1-CB 3.95Å; Y743-K752 HydrophobicContact CE1-CD 4.35Å; Y743-K752 HydrophobicContact CE1-CG 3.73Å; Y743-K752 HydrophobicContact CE2-CB 4Å; Y743-K752 WeakPolarHBondContact OH-CB 3.44Å
744	N	96.5	Very high	91.6	Very high	110 Å²	110	39.1 Å²	39.1	59%	0.588	20%	0.195	S	C	*	.	S	Bend	trans	-90.1	-17.5	-173.5	-71.4	-42.7	0	0	0	113.4
745	S	97.3	Very high	92.5	Very high	47 Å²	47	41.3 Å²	41.3	33%	0.329	21%	0.205	S	C	.	.	S	Bend	trans	-144.2	159.5	178.7	74.7	0	0	0	0	112.8	W674 D747 Q748 L749	W674-S745 VanDerWaalsContact CZ3-C 3.47Å; S745-D747 VanDerWaalsContact C-N 3.3Å; S745-D747 PolarHBondContact O-N 2.95Å; S745-Q748 PolarHBondContact O-N 3.34Å; S745-Q748 VanDerWaalsContact OG-CB 3.3Å; S745-Q748 WeakPolarHBondContact OG-CB 3.5Å; S745-Q748 PolarHBondContact OG-N 3.5Å; S745-Q748 VanDerWaalsContact OG-N 3.08Å; S745-L749 PolarHBondContact O-N 3.44Å; S745-L749 VanDerWaalsContact O-N 3.14Å
746	Y	97.3	Very high	92.8	Very high	35 Å²	35	37.8 Å²	37.8	14%	0.137	19%	0.19	C	C	.	.	H	α-helix	trans	-60	-41.3	173	174.5	-103.2	0	0	0	111.7	W674 K677 L678 K681 L749 C750	W674-Y746 HydrophobicContact CB-CD2 3.81Å; W674-Y746 AromaticContact CG-CD2 3.97Å; W674-Y746 HydrophobicContact CG-CD2 3.97Å; W674-Y746 WeakPolarHBondContact O-CE2 3.42Å; K677-Y746 HydrophobicContact CB-CE2 4.08Å; K677-Y746 HydrophobicContact CD-CD2 4.11Å; K677-Y746 HydrophobicContact CD-CE2 3.76Å; K677-Y746 HydrophobicContact CG-CE2 3.85Å; L678-Y746 HydrophobicContact CB-CE2 4.31Å; K681-Y746 WeakPolarHBondContact CD-OH 3.21Å; K681-Y746 PolarHBondContact NZ-OH 3.34Å; Y746-L749 PolarHBondContact O-N 3.41Å; Y746-C750 PolarHBondContact O-N 3.3Å; Y746-C750 PolarHBondContact O-SG 3.08Å
747	D	96.6	Very high	92.5	Very high	115 Å²	115	39.4 Å²	39.4	62%	0.615	20%	0.198	S	C	*	.	H	α-helix	trans	-66.9	-41.4	-178.7	-58.2	-35.2	0	0	0	111.3	S745 L749 C750 E751	S745-D747 VanDerWaalsContact C-N 3.3Å; S745-D747 PolarHBondContact O-N 2.95Å; D747-L749 VanDerWaalsContact C-N 3.34Å; D747-L749 PolarHBondContact O-N 3.16Å; D747-C750 PolarHBondContact O-N 2.88Å; D747-E751 WeakPolarHBondContact O-CB 3.5Å; D747-E751 PolarHBondContact O-N 3.3Å
748	Q	97	Very high	91.5	Very high	42 Å²	42	42.3 Å²	42.3	20%	0.196	22%	0.215	C	C	.	.	H	α-helix	trans	-61.1	-43.1	174.8	-174.7	-176.4	31.4	0	0	111.3	E725 Y743 S745 C750 K752	E725-Q748 PolarHBondContact O-NE2 3.04Å; Y743-Q748 HydrophobicContact CD1-CG 3.79Å; Y743-Q748 HydrophobicContact CG-CG 4.21Å; S745-Q748 PolarHBondContact O-N 3.34Å; S745-Q748 VanDerWaalsContact OG-CB 3.3Å; S745-Q748 WeakPolarHBondContact OG-CB 3.5Å; S745-Q748 PolarHBondContact OG-N 3.5Å; S745-Q748 VanDerWaalsContact OG-N 3.08Å; Q748-C750 VanDerWaalsContact C-N 3.35Å; Q748-K752 HydrophobicContact CG-CG 4.22Å; Q748-K752 VanDerWaalsContact O-CB 3.26Å; Q748-K752 WeakPolarHBondContact O-CB 3.32Å; Q748-K752 WeakPolarHBondContact O-CG 2.96Å; Q748-K752 PolarHBondContact O-N 3.35Å
749	L	97.1	Very high	90.1	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-62	-43.3	175.9	-177.3	152.4	0	0	0	111.4	Q671 W674 L678 L740 Y743 S745 Y746 D747 L753	Q671-L749 HydrophobicContact CB-CD1 4.32Å; Q671-L749 WeakPolarHBondContact O-CD1 3.44Å; W674-L749 HydrophobicContact CB-CD1 3.96Å; W674-L749 HydrophobicContact CE3-CD1 4.48Å; L678-L749 HydrophobicContact CD2-CD2 3.9Å; L740-L749 HydrophobicContact CD1-CD1 4.45Å; L740-L749 HydrophobicContact CD2-CD1 4.41Å; Y743-L749 HydrophobicContact CD2-CB 3.76Å; Y743-L749 HydrophobicContact CD2-CD1 4.25Å; Y743-L749 HydrophobicContact CD2-CG 3.94Å; Y743-L749 HydrophobicContact CG-CB 4.34Å; S745-L749 PolarHBondContact O-N 3.44Å; S745-L749 VanDerWaalsContact O-N 3.14Å; Y746-L749 PolarHBondContact O-N 3.41Å; D747-L749 VanDerWaalsContact C-N 3.34Å; D747-L749 PolarHBondContact O-N 3.16Å; L749-L753 WeakPolarHBondContact O-CB 3.47Å; L749-L753 PolarHBondContact O-N 2.97Å
750	C	93.4	Very high	88.3	Confident	24 Å²	24	50.6 Å²	50.6	16%	0.162	26%	0.257	C	S	.	.	H	α-helix	trans	-63	-49.8	179.3	-65.4	0	0	0	0	111.4	L678 Y746 D747 Q748 Q754	L678-C750 HydrophobicContact CD2-CB 4.44Å; Y746-C750 PolarHBondContact O-N 3.3Å; Y746-C750 PolarHBondContact O-SG 3.08Å; D747-C750 PolarHBondContact O-N 2.88Å; Q748-C750 VanDerWaalsContact C-N 3.35Å; C750-Q754 VanDerWaalsContact O-CB 3.22Å; C750-Q754 WeakPolarHBondContact O-CB 3.34Å; C750-Q754 PolarHBondContact O-N 2.9Å
751	E	92.2	Very high	85.9	Confident	121 Å²	121	60.3 Å²	60.3	57%	0.565	30%	0.3	S	S	*	.	H	α-helix	trans	-59.4	-51.8	179	-176.8	-174.3	176.3	0	0	111.5	D747 Q754 M755	D747-E751 WeakPolarHBondContact O-CB 3.5Å; D747-E751 PolarHBondContact O-N 3.3Å; E751-Q754 PolarHBondContact O-N 3.44Å; E751-M755 VanDerWaalsContact O-CB 3.32Å; E751-M755 WeakPolarHBondContact O-CB 3.29Å; E751-M755 PolarHBondContact O-N 2.89Å
752	K	93.1	Very high	83.4	Confident	46 Å²	46	61.2 Å²	61.2	20%	0.2	31%	0.309	C	S	.	.	H	α-helix	trans	-67.1	-38.7	-176.9	-69.9	-78.6	-177.8	172.4	0	112.7	Q726 L728 P729 Y743 Q748 A756	Q726-K752 PolarHBondContact O-NZ 3.27Å; L728-K752 HydrophobicContact CD2-CB 4.23Å; L728-K752 HydrophobicContact CD2-CD 3.55Å; L728-K752 WeakPolarHBondContact CD2-O 3.44Å; L728-K752 HydrophobicContact CG-CD 4.43Å; P729-K752 WeakPolarHBondContact CD-O 3.47Å; Y743-K752 HydrophobicContact CD1-CG 4.4Å; Y743-K752 HydrophobicContact CE1-CB 3.95Å; Y743-K752 HydrophobicContact CE1-CD 4.35Å; Y743-K752 HydrophobicContact CE1-CG 3.73Å; Y743-K752 HydrophobicContact CE2-CB 4Å; Y743-K752 WeakPolarHBondContact OH-CB 3.44Å; Q748-K752 HydrophobicContact CG-CG 4.22Å; Q748-K752 VanDerWaalsContact O-CB 3.26Å; Q748-K752 WeakPolarHBondContact O-CB 3.32Å; Q748-K752 WeakPolarHBondContact O-CG 2.96Å; Q748-K752 PolarHBondContact O-N 3.35Å; K752-A756 PolarHBondContact O-N 3.43Å; K752-A756 VanDerWaalsContact O-N 3.08Å
753	L	89.2	Confident	81.1	Confident	2 Å²	2	62.2 Å²	62.2	1%	0.01	31%	0.311	C	S	.	.	H	α-helix	trans	-70.2	-41.7	177.2	-170.4	67.2	0	0	0	111.5	F675 L678 L690 P729 L738 L749 A756 I757	F675-L753 HydrophobicContact CD2-CD2 4.16Å; F675-L753 HydrophobicContact CE2-CD2 4.06Å; L678-L753 HydrophobicContact CD2-CD2 3.72Å; L690-L753 HydrophobicContact CD1-CD1 4.05Å; L690-L753 HydrophobicContact CD1-CD2 4.36Å; L690-L753 HydrophobicContact CD1-CG 4.41Å; L690-L753 HydrophobicContact CD2-CD2 4.38Å; P729-L753 HydrophobicContact CB-CD1 4.07Å; P729-L753 HydrophobicContact CG-CB 4.47Å; P729-L753 HydrophobicContact CG-CD1 3.93Å; L738-L753 HydrophobicContact CD1-CD1 4.42Å; L738-L753 HydrophobicContact CD2-CD1 4.42Å; L749-L753 WeakPolarHBondContact O-CB 3.47Å; L749-L753 PolarHBondContact O-N 2.97Å; L753-A756 PolarHBondContact O-N 3.01Å; L753-I757 HydrophobicContact CG-CD1 4.07Å; L753-I757 WeakPolarHBondContact O-CD1 3.18Å; L753-I757 VanDerWaalsContact O-CG1 3.24Å; L753-I757 WeakPolarHBondContact O-CG1 3.34Å; L753-I757 PolarHBondContact O-N 3.23Å
754	Q	83.4	Confident	78.4	Confident	101 Å²	101	64 Å²	64	47%	0.472	33%	0.33	S	S	.	.	H	α-helix	trans	-62.4	-45.6	175.8	-177.1	171.5	-0.6	0	0	111.2	C750 E751 A756 I757 E758	C750-Q754 VanDerWaalsContact O-CB 3.22Å; C750-Q754 WeakPolarHBondContact O-CB 3.34Å; C750-Q754 PolarHBondContact O-N 2.9Å; E751-Q754 PolarHBondContact O-N 3.44Å; Q754-A756 PolarHBondContact O-N 3.03Å; Q754-I757 PolarHBondContact O-N 2.71Å; Q754-E758 HydrophobicContact CG-CG 4.33Å; Q754-E758 VanDerWaalsContact CG-OE1 3.24Å; Q754-E758 WeakPolarHBondContact CG-OE1 3.36Å; Q754-E758 PolarHBondContact NE2-OE1 2.97Å; Q754-E758 WeakPolarHBondContact O-CB 3.49Å; Q754-E758 WeakPolarHBondContact O-CG 3.37Å; Q754-E758 PolarHBondContact O-N 2.85Å
755	M	85.1	Confident	75.6	Confident	62 Å²	62	65 Å²	65	31%	0.305	33%	0.331	S	S	.	.	H	α-helix	trans	-56	-49	175.4	-175.4	177.4	-70.6	0	0	111.6	L728 E751 I757 E758 E759	L728-M755 HydrophobicContact CD1-CG 4.48Å; L728-M755 HydrophobicContact CD1-SD 4.25Å; L728-M755 HydrophobicContact CD2-CB 4.08Å; L728-M755 HydrophobicContact CD2-CG 3.99Å; L728-M755 HydrophobicContact CD2-SD 3.71Å; E751-M755 VanDerWaalsContact O-CB 3.32Å; E751-M755 WeakPolarHBondContact O-CB 3.29Å; E751-M755 PolarHBondContact O-N 2.89Å; M755-I757 PolarHBondContact O-N 3.15Å; M755-E758 PolarHBondContact O-N 3Å; M755-E759 HydrophobicContact CG-CG 4.21Å; M755-E759 WeakPolarHBondContact CG-OE1 3.42Å; M755-E759 VanDerWaalsContact O-CB 3.3Å; M755-E759 WeakPolarHBondContact O-CB 3.25Å; M755-E759 WeakPolarHBondContact O-CG 3.31Å; M755-E759 PolarHBondContact O-N 2.83Å
756	A	83.1	Confident	72.5	Confident	5 Å²	5	75.5 Å²	75.5	4%	0.041	38%	0.375	C	S	.	.	H	α-helix	trans	-62.3	-39.4	178.2	0	0	0	0	0	113.3	F693 P729 K752 L753 Q754 T760	F693-A756 HydrophobicContact CE1-CB 4.47Å; F693-A756 HydrophobicContact CZ-CB 4.05Å; P729-A756 HydrophobicContact CB-CB 4.48Å; P729-A756 HydrophobicContact CG-CB 4.46Å; K752-A756 PolarHBondContact O-N 3.43Å; K752-A756 VanDerWaalsContact O-N 3.08Å; L753-A756 PolarHBondContact O-N 3.01Å; Q754-A756 PolarHBondContact O-N 3.03Å; A756-T760 PolarHBondContact O-N 3.05Å; A756-T760 PolarHBondContact O-OG1 3.31Å
757	I	75.1	Confident	71.3	Confident	33 Å²	33	77.5 Å²	77.5	17%	0.169	39%	0.387	C	S	.	.	H	α-helix	trans	-66	-40.8	176.9	-65.7	162.6	0	0	0	111.2	R689 L690 F693 L753 Q754 M755	R689-I757 HydrophobicContact CB-CG2 3.62Å; L690-I757 HydrophobicContact CB-CD1 3.83Å; L690-I757 HydrophobicContact CB-CG1 4.48Å; L690-I757 HydrophobicContact CD1-CD1 3.89Å; L690-I757 HydrophobicContact CD1-CG1 4.18Å; L690-I757 HydrophobicContact CG-CD1 4.37Å; F693-I757 HydrophobicContact CB-CG1 4.43Å; F693-I757 HydrophobicContact CG-CG1 4.5Å; L753-I757 HydrophobicContact CG-CD1 4.07Å; L753-I757 WeakPolarHBondContact O-CD1 3.18Å; L753-I757 VanDerWaalsContact O-CG1 3.24Å; L753-I757 WeakPolarHBondContact O-CG1 3.34Å; L753-I757 PolarHBondContact O-N 3.23Å; Q754-I757 PolarHBondContact O-N 2.71Å; M755-I757 PolarHBondContact O-N 3.15Å
758	E	68.5	Low	69.9	Low	122 Å²	122	75.5 Å²	75.5	57%	0.57	38%	0.375	S	S	*	.	H	α-helix	trans	-78	-32.3	-176.4	-70.9	177.8	-175	0	0	113.1	Q754 M755	Q754-E758 HydrophobicContact CG-CG 4.33Å; Q754-E758 VanDerWaalsContact CG-OE1 3.24Å; Q754-E758 WeakPolarHBondContact CG-OE1 3.36Å; Q754-E758 PolarHBondContact NE2-OE1 2.97Å; Q754-E758 WeakPolarHBondContact O-CB 3.49Å; Q754-E758 WeakPolarHBondContact O-CG 3.37Å; Q754-E758 PolarHBondContact O-N 2.85Å; M755-E758 PolarHBondContact O-N 3Å
759	E	64.9	Low	68.4	Low	123 Å²	123	77.4 Å²	77.4	58%	0.575	39%	0.385	S	S	*	.	H	α-helix	trans	-86	-17.6	-176.6	-69.6	-175.2	171	0	0	114.1	M755 K761	M755-E759 HydrophobicContact CG-CG 4.21Å; M755-E759 WeakPolarHBondContact CG-OE1 3.42Å; M755-E759 VanDerWaalsContact O-CB 3.3Å; M755-E759 WeakPolarHBondContact O-CB 3.25Å; M755-E759 WeakPolarHBondContact O-CG 3.31Å; M755-E759 PolarHBondContact O-N 2.83Å; E759-K761 PolarHBondContact O-N 3.24Å
760	T	55.6	Low	66.8	Low	57 Å²	57	81.9 Å²	81.9	35%	0.35	41%	0.407	S	S	.	.			trans	-70.6	104	-176.7	-58.8	0	0	0	0	111.8	F693 A756 G762	F693-T760 HydrophobicContact CD2-CG2 4.04Å; F693-T760 VanDerWaalsContact CD2-OG1 3.3Å; F693-T760 WeakPolarHBondContact CD2-OG1 3.14Å; F693-T760 HydrophobicContact CE2-CG2 4.22Å; F693-T760 WeakPolarHBondContact CE2-OG1 3.13Å; A756-T760 PolarHBondContact O-N 3.05Å; A756-T760 PolarHBondContact O-OG1 3.31Å; T760-G762 WeakPolarHBondContact CG2-O 3.27Å
761	K	47.4	Very low	65.1	Low	204 Å²	204	85.6 Å²	85.6	89%	0.887	42%	0.422	S	S	*	.			trans	-103.6	68.9	171.7	-68.6	-175.9	-179.7	177.2	0	111.2	E759	E759-K761 PolarHBondContact O-N 3.24Å
762	G	43.7	Very low	63.3	Low	20 Å²	20	83.2 Å²	83.2	21%	0.206	41%	0.413	C	S	.	.	S	Bend	trans	105.6	173.8	175.9	0	0	0	0	0	114.4	T760	T760-G762 WeakPolarHBondContact CG2-O 3.27Å
763	F	49.8	Very low	61.1	Low	37 Å²	37	85.9 Å²	85.9	16%	0.162	43%	0.428	C	S	.	.			trans	-106.1	29.5	-173.1	-59.8	-63.5	0	0	0	114.6	E459 G696 T733	E459-F763 HydrophobicContact CB-CD2 3.71Å; E459-F763 HydrophobicContact CB-CE2 3.67Å; E459-F763 VanDerWaalsContact CD-CD2 3.45Å; E459-F763 HydrophobicContact CG-CD2 3.88Å; E459-F763 HydrophobicContact CG-CE2 3.74Å; E459-F763 WeakPolarHBondContact OE2-CD2 3.39Å; G696-F763 VanDerWaalsContact CA-CZ 3.48Å; T733-F763 HydrophobicContact CG2-CD1 3.46Å; T733-F763 VanDerWaalsContact CG2-CD1 3.46Å; T733-F763 HydrophobicContact CG2-CE1 3.34Å; T733-F763 HydrophobicContact CG2-CG 4.23Å; T733-F763 HydrophobicContact CG2-CZ 4.04Å
764	G	39.1	Very low	59	Low	37 Å²	37	92.3 Å²	92.3	38%	0.381	46%	0.46	S	S	.	.			trans	-65.4	149	172.9	0	0	0	0	0	111.9	E766	G764-E766 PolarHBondContact O-N 3.26Å
765	Q	38.5	Very low	57	Low	131 Å²	131	91.6 Å²	91.6	61%	0.612	46%	0.459	S	S	*	.			trans	-68.7	120.6	164	-68.8	-177.3	4.4	0	0	108.3
766	E	32.7	Very low	54.4	Low	268 Å²	268	94.3 Å²	94.3	100%	1.252	47%	0.473	S	S	*	.			trans	-87.2	0	161.4	-72.3	-171.6	170.9	0	0	111.2	G764	G764-E766 PolarHBondContact O-N 3.26Å

Retrieved 766 of 766 residues in 276.7 ms (Link to these results)

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