A0A087Y4Q5_POEFO Loading...

Leucine-rich repeat-containing protein 40

AlphaFold DB , UniProt , Accession A0A087Y4Q5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 597 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	36	Very low	38.5	Very low	236 Å²	236	159.5 Å²	159.5	100%	1.163	84%	0.839	S	S	*	*				0	97.4	0	-59.6	-171.4	-162.5	0	0	106.5
2	S	35.9	Very low	39.5	Very low	102 Å²	102	155.6 Å²	155.6	71%	0.713	83%	0.834	S	S	*	*				99.4	97.3	95	65.7	0	0	0	0	112.1
3	H	35.6	Very low	40.1	Very low	186 Å²	186	152.2 Å²	152.2	86%	0.861	82%	0.815	S	S	*	*			trans	27.9	115.4	139.2	-66.9	-73.4	0	0	0	120.4
4	F	35.8	Very low	40.7	Very low	214 Å²	214	146.6 Å²	146.6	94%	0.939	80%	0.801	S	S	*	*			trans	-113.9	118.3	141.6	-99.7	-89.2	0	0	0	109.3
5	K	39.8	Very low	40.8	Very low	205 Å²	205	141.7 Å²	141.7	89%	0.891	80%	0.798	S	S	*	*			trans	-65.4	127.8	169.1	-82.9	174.3	170.5	175.9	0	109.1
6	R	36	Very low	41	Very low	251 Å²	251	143.6 Å²	143.6	95%	0.947	80%	0.795	S	S	*	*			trans	-107.5	134.9	162.2	-112.7	179.7	179.3	177.8	-0.5	109.5
7	A	37.6	Very low	41	Very low	101 Å²	101	146.9 Å²	146.9	84%	0.835	79%	0.792	S	S	*	*			trans	-62.3	159.4	-171.1	0	0	0	0	0	113.4
8	G	35.2	Very low	41.1	Very low	67 Å²	67	145.4 Å²	145.4	69%	0.691	79%	0.789	S	S	*	*			trans	-58.3	142.8	-171.6	0	0	0	0	0	114.1	V10	G8-V10 VanDerWaalsContact C-N 3.27Å; G8-V10 PolarHBondContact O-N 3.29Å
9	N	40.5	Very low	41	Very low	173 Å²	173	143.9 Å²	143.9	93%	0.925	79%	0.787	S	S	*	*			trans	-74.5	85.7	168.2	-145.4	15.7	0	0	0	107	D11	N9-D11 PolarHBondContact O-N 3.07Å
10	V	46.4	Very low	40.7	Very low	123 Å²	123	146.6 Å²	146.6	75%	0.745	79%	0.791	S	S	*	*			trans	-70.1	113.7	171.6	179.8	0	0	0	0	106.5	G8 S12	G8-V10 VanDerWaalsContact C-N 3.27Å; G8-V10 PolarHBondContact O-N 3.29Å; V10-S12 PolarHBondContact O-N 3.45Å
11	D	44.4	Very low	40.9	Very low	97 Å²	97	145.3 Å²	145.3	52%	0.519	79%	0.79	S	S	.	*			trans	-63.7	97.9	175.8	-168.9	-2.4	0	0	0	109.2	N9 L13 A14	N9-D11 PolarHBondContact O-N 3.07Å; D11-L13 PolarHBondContact O-N 3.34Å; D11-A14 PolarHBondContact O-N 3.25Å; D11-A14 VanDerWaalsContact O-N 3.09Å
12	S	51	Low	41.6	Very low	112 Å²	112	140.8 Å²	140.8	78%	0.783	77%	0.766	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.1	3	-175.8	5.4	0	0	0	0	114.8	V10	V10-S12 PolarHBondContact O-N 3.45Å
13	L	47.3	Very low	42.5	Very low	112 Å²	112	138.8 Å²	138.8	59%	0.586	76%	0.756	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117	3.2	178.8	-69.2	166.8	0	0	0	113.7	D11 G15 F16	D11-L13 PolarHBondContact O-N 3.34Å; L13-G15 PolarHBondContact O-N 2.66Å; L13-G15 VanDerWaalsContact O-N 3.16Å; L13-F16 PolarHBondContact O-N 3.3Å; L13-F16 VanDerWaalsContact O-N 3.11Å
14	A	47.8	Very low	44.1	Very low	74 Å²	74	133.5 Å²	133.5	61%	0.612	75%	0.745	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.2	-26	178.9	0	0	0	0	0	113.5	D11	D11-A14 PolarHBondContact O-N 3.25Å; D11-A14 VanDerWaalsContact O-N 3.09Å
15	G	41.9	Very low	46.3	Very low	73 Å²	73	123.8 Å²	123.8	75%	0.753	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.6	-6	177.5	0	0	0	0	0	116	L13	L13-G15 PolarHBondContact O-N 2.66Å; L13-G15 VanDerWaalsContact O-N 3.16Å
16	F	44.9	Very low	48.4	Very low	172 Å²	172	117.2 Å²	117.2	75%	0.754	68%	0.681	S	S	*	*	S	Bend	trans	-116.6	6	-175.8	-69.7	-77.8	0	0	0	114	L13 T18	L13-F16 PolarHBondContact O-N 3.3Å; L13-F16 VanDerWaalsContact O-N 3.11Å; F16-T18 PolarHBondContact O-N 3.11Å
17	R	40.4	Very low	50.6	Low	200 Å²	200	110.2 Å²	110.2	76%	0.755	66%	0.655	S	S	*	*			trans	-75.3	95.8	166.1	-73.5	-174.5	-179.8	176.2	3.9	108.1
18	T	42.4	Very low	52.9	Low	120 Å²	120	107.8 Å²	107.8	74%	0.736	64%	0.64	S	S	*	*			trans	-50.2	130.5	156.6	48.4	0	0	0	0	107.4	F16 K20	F16-T18 PolarHBondContact O-N 3.11Å; T18-K20 PolarHBondContact O-N 3.04Å
19	P	39.2	Very low	55.5	Low	116 Å²	116	106.5 Å²	106.5	75%	0.753	62%	0.617	S	S	*	*			trans	-50.4	135.4	168.6	21.3	-29.6	0	0	0	107
20	K	36.4	Very low	57.7	Low	198 Å²	198	98.9 Å²	98.9	86%	0.861	58%	0.576	S	S	*	*			trans	-45.6	125	169.6	-94.8	-179.8	172.4	-179.5	0	105.9	T18 E22	T18-K20 PolarHBondContact O-N 3.04Å; K20-E22 PolarHBondContact O-N 3.32Å
21	P	43.6	Very low	59.7	Low	119 Å²	119	95.4 Å²	95.4	77%	0.773	55%	0.551	S	S	*	*			trans	-54.4	123.1	174.8	21.9	-30.5	0	0	0	106	A23	P21-A23 PolarHBondContact O-N 3.25Å
22	E	51.2	Low	61.8	Low	142 Å²	142	93.3 Å²	93.3	66%	0.664	55%	0.547	S	S	*	.			trans	-41.8	138.8	165.1	-77.3	176.4	169.1	0	0	106.8	K20 A24	K20-E22 PolarHBondContact O-N 3.32Å; E22-A24 PolarHBondContact O-N 3.21Å
23	A	55	Low	63.7	Low	60 Å²	60	88 Å²	88	50%	0.496	51%	0.51	S	S	.	.			trans	-63.7	81.6	177	0	0	0	0	0	108.4	P21 V25 L46 P50	P21-A23 PolarHBondContact O-N 3.25Å; A23-V25 PolarHBondContact O-N 3.34Å; A23-V25 VanDerWaalsContact O-N 3.17Å; A23-L46 HydrophobicContact CB-CD2 3.76Å; A23-P50 WeakPolarHBondContact O-CG 3.3Å
24	A	68.6	Low	65.7	Low	75 Å²	75	83.9 Å²	83.9	62%	0.62	49%	0.487	S	S	*	.	P	Polyproline II helix	trans	-71.8	116.9	-169.6	0	0	0	0	0	107.4	E22	E22-A24 PolarHBondContact O-N 3.21Å
25	V	82.4	Confident	67.6	Low	10 Å²	10	86 Å²	86	6%	0.061	48%	0.482	C	S	.	.	P	Polyproline II helix	trans	-55.9	127.9	172.2	179.8	0	0	0	0	108.1	A23 Y27 L29 L30 L41 P50 V53	A23-V25 PolarHBondContact O-N 3.34Å; A23-V25 VanDerWaalsContact O-N 3.17Å; V25-Y27 PolarHBondContact O-N 3.41Å; V25-L29 HydrophobicContact CG1-CB 4.3Å; V25-L29 HydrophobicContact CG1-CD2 4.37Å; V25-L30 HydrophobicContact CB-CD1 4.44Å; V25-L30 HydrophobicContact CB-CD2 4Å; V25-L30 HydrophobicContact CB-CG 4.21Å; V25-L30 HydrophobicContact CG1-CD2 3.63Å; V25-L30 HydrophobicContact CG1-CG 3.85Å; V25-L41 HydrophobicContact CB-CD2 4.46Å; V25-L41 HydrophobicContact CG1-CD2 3.67Å; V25-L41 HydrophobicContact CG2-CD1 3.77Å; V25-L41 HydrophobicContact CG2-CD2 4Å; V25-P50 HydrophobicContact CG2-CB 4.24Å; V25-P50 HydrophobicContact CG2-CG 3.93Å; V25-V53 HydrophobicContact CG2-CG2 3.66Å
26	P	84.6	Confident	70	Confident	66 Å²	66	85.3 Å²	85.3	43%	0.429	47%	0.466	S	S	.	.	P	Polyproline II helix	trans	-54.3	131.4	-179.6	-27.1	34.3	0	0	0	111.3	G28 L29 L30	P26-G28 VanDerWaalsContact C-N 3.29Å; P26-G28 PolarHBondContact O-N 2.82Å; P26-L29 HydrophobicContact CB-CB 4.36Å; P26-L29 WeakPolarHBondContact O-CA 3.45Å; P26-L29 WeakPolarHBondContact O-CB 3.29Å; P26-L29 PolarHBondContact O-N 3.05Å; P26-L30 PolarHBondContact O-N 2.86Å
27	Y	82.7	Confident	72.3	Confident	105 Å²	105	77.1 Å²	77.1	41%	0.412	43%	0.43	S	S	.	.	H	α-helix	trans	-53.6	-42.5	-175.8	171.9	-105	0	0	0	113.5	V25 L29 L30 K31 A62 E63	V25-Y27 PolarHBondContact O-N 3.41Å; Y27-L29 PolarHBondContact O-N 3.04Å; Y27-L29 VanDerWaalsContact O-N 3.15Å; Y27-L30 PolarHBondContact O-N 2.94Å; Y27-L30 VanDerWaalsContact O-N 3.17Å; Y27-K31 PolarHBondContact O-N 3.01Å; Y27-A62 HydrophobicContact CE2-CB 3.95Å; Y27-E63 VanDerWaalsContact OH-CG 3.3Å; Y27-E63 WeakPolarHBondContact OH-CG 3.34Å; Y27-E63 PolarHBondContact OH-OE1 3.21Å; Y27-E63 VanDerWaalsContact OH-OE1 3.08Å; Y27-E63 PolarHBondContact OH-OE2 3.14Å
28	G	84.5	Confident	75	Confident	49 Å²	49	72 Å²	72	51%	0.505	41%	0.414	S	S	.	.	H	α-helix	trans	-60.1	-26.3	177	0	0	0	0	0	113.7	P26 A32	P26-G28 VanDerWaalsContact C-N 3.29Å; P26-G28 PolarHBondContact O-N 2.82Å; G28-A32 WeakPolarHBondContact O-CB 3.29Å; G28-A32 PolarHBondContact O-N 3.06Å
29	L	89.4	Confident	77.5	Confident	41 Å²	41	66.3 Å²	66.3	22%	0.215	38%	0.38	C	S	.	.	H	α-helix	trans	-78.5	-40.6	178.7	-151	156.6	0	0	0	110.9	V25 P26 Y27 K31 A32 A33 L39 L41	V25-L29 HydrophobicContact CG1-CB 4.3Å; V25-L29 HydrophobicContact CG1-CD2 4.37Å; P26-L29 HydrophobicContact CB-CB 4.36Å; P26-L29 WeakPolarHBondContact O-CA 3.45Å; P26-L29 WeakPolarHBondContact O-CB 3.29Å; P26-L29 PolarHBondContact O-N 3.05Å; Y27-L29 PolarHBondContact O-N 3.04Å; Y27-L29 VanDerWaalsContact O-N 3.15Å; L29-K31 VanDerWaalsContact C-N 3.34Å; L29-A32 PolarHBondContact O-N 3.11Å; L29-A33 WeakPolarHBondContact O-CB 3.48Å; L29-A33 PolarHBondContact O-N 3.19Å; L29-L39 HydrophobicContact CD2-CD1 3.05Å; L29-L41 HydrophobicContact CD2-CD2 4.1Å
30	L	88.5	Confident	80.2	Confident	13 Å²	13	64.9 Å²	64.9	7%	0.068	37%	0.365	C	S	.	.	H	α-helix	trans	-63.1	-40.6	171.3	-61.3	177.4	0	0	0	111.5	V25 P26 Y27 A33 R34 L39 N52 L56	V25-L30 HydrophobicContact CB-CD1 4.44Å; V25-L30 HydrophobicContact CB-CD2 4Å; V25-L30 HydrophobicContact CB-CG 4.21Å; V25-L30 HydrophobicContact CG1-CD2 3.63Å; V25-L30 HydrophobicContact CG1-CG 3.85Å; P26-L30 PolarHBondContact O-N 2.86Å; Y27-L30 PolarHBondContact O-N 2.94Å; Y27-L30 VanDerWaalsContact O-N 3.17Å; L30-A33 WeakPolarHBondContact O-CB 3.34Å; L30-A33 PolarHBondContact O-N 2.85Å; L30-R34 PolarHBondContact O-N 3.48Å; L30-L39 HydrophobicContact CD2-CD2 4.37Å; L30-N52 HydrophobicContact CD1-CB 4.47Å; L30-L56 HydrophobicContact CB-CD1 3.91Å; L30-L56 HydrophobicContact CD2-CD1 4.04Å; L30-L56 HydrophobicContact CG-CD1 4.46Å
31	K	86.6	Confident	83	Confident	50 Å²	50	55.5 Å²	55.5	22%	0.217	33%	0.325	C	S	.	.	H	α-helix	trans	-61.3	-45.4	173.7	-175.3	177.9	-169.1	167.2	0	112.3	Y27 L29 A33 R34 K35 E63 D74	Y27-K31 PolarHBondContact O-N 3.01Å; L29-K31 VanDerWaalsContact C-N 3.34Å; K31-A33 VanDerWaalsContact C-N 3.29Å; K31-A33 PolarHBondContact O-N 2.78Å; K31-R34 PolarHBondContact O-N 3.45Å; K31-K35 PolarHBondContact O-N 3.31Å; K31-E63 WeakPolarHBondContact CD-OE1 3.46Å; K31-E63 WeakPolarHBondContact CE-OE1 3.48Å; K31-E63 VanDerWaalsContact CG-OE1 3.29Å; K31-E63 WeakPolarHBondContact CG-OE1 3.4Å; K31-E63 IonicContact NZ-OE1 3.05Å; K31-D74 WeakPolarHBondContact CE-OD2 3.36Å; K31-D74 IonicContact NZ-OD2 3.52Å; K31-D74 PolarHBondContact NZ-OD2 2.91Å
32	A	88.8	Confident	85.5	Confident	52 Å²	52	51.4 Å²	51.4	43%	0.43	30%	0.299	S	S	.	.	H	α-helix	trans	-64	-36.1	175.5	0	0	0	0	0	112	G28 L29 K35 S36	G28-A32 WeakPolarHBondContact O-CB 3.29Å; G28-A32 PolarHBondContact O-N 3.06Å; L29-A32 PolarHBondContact O-N 3.11Å; A32-K35 PolarHBondContact O-N 3.27Å; A32-S36 WeakPolarHBondContact O-CB 3.41Å; A32-S36 PolarHBondContact O-N 2.96Å; A32-S36 PolarHBondContact O-OG 3.16Å
33	A	91.3	Very high	87.5	Confident	1 Å²	1	47.5 Å²	47.5	1%	0.008	30%	0.297	C	S	.	.	H	α-helix	trans	-64.5	-45.2	175.9	0	0	0	0	0	112	L29 L30 K31 K35 S36 G37 Q38 L39 L56 L82	L29-A33 WeakPolarHBondContact O-CB 3.48Å; L29-A33 PolarHBondContact O-N 3.19Å; L30-A33 WeakPolarHBondContact O-CB 3.34Å; L30-A33 PolarHBondContact O-N 2.85Å; K31-A33 VanDerWaalsContact C-N 3.29Å; K31-A33 PolarHBondContact O-N 2.78Å; A33-K35 PolarHBondContact O-N 3.27Å; A33-S36 PolarHBondContact O-N 2.93Å; A33-G37 WeakPolarHBondContact O-CA 3.44Å; A33-G37 PolarHBondContact O-N 3.15Å; A33-Q38 VanDerWaalsContact CA-O 3.31Å; A33-Q38 WeakPolarHBondContact CA-O 3.43Å; A33-Q38 WeakPolarHBondContact CB-O 3.25Å; A33-L39 HydrophobicContact CB-CB 3.95Å; A33-L39 HydrophobicContact CB-CD1 4.17Å; A33-L56 HydrophobicContact CB-CD2 3.84Å; A33-L82 HydrophobicContact CB-CD1 4.31Å
34	R	89.8	Confident	89.2	Confident	26 Å²	26	50.5 Å²	50.5	10%	0.098	30%	0.295	C	S	.	.	H	α-helix	trans	-60.1	-27.6	174.5	-72.3	175.4	179.2	138.9	-4.1	113.8	L30 K31 L56 D59 P61 Q79 T80	L30-R34 PolarHBondContact O-N 3.48Å; K31-R34 PolarHBondContact O-N 3.45Å; R34-L56 HydrophobicContact CG-CD1 3.79Å; R34-L56 HydrophobicContact CG-CD2 4.46Å; R34-L56 HydrophobicContact CG-CG 3.97Å; R34-L56 PolarHBondContact NE-O 3.38Å; R34-L56 PolarHBondContact NH2-O 2.92Å; R34-D59 PolarHBondContact NH2-O 3.17Å; R34-P61 VanDerWaalsContact NH1-CB 3.34Å; R34-Q79 HydrophobicContact CB-CG 4.35Å; R34-Q79 WeakPolarHBondContact O-CA 3.18Å; R34-T80 PolarHBondContact O-N 3.38Å
35	K	88.2	Confident	90.3	Very high	117 Å²	117	48.7 Å²	48.7	51%	0.509	28%	0.284	S	S	.	.	H	α-helix	trans	-83.5	-33.6	175.9	-71.2	-172.7	178.3	-173.2	0	113.9	K31 A32 A33 D74	K31-K35 PolarHBondContact O-N 3.31Å; A32-K35 PolarHBondContact O-N 3.27Å; A33-K35 PolarHBondContact O-N 3.27Å; K35-D74 WeakPolarHBondContact CE-OD1 3.33Å; K35-D74 IonicContact NZ-OD1 3.7Å; K35-D74 PolarHBondContact NZ-OD1 3.23Å; K35-D74 IonicContact NZ-OD2 3.8Å
36	S	92	Very high	90.8	Very high	60 Å²	60	48.7 Å²	48.7	42%	0.42	28%	0.283	S	S	.	.	H	α-helix	trans	-103.7	-15.3	-170.8	62.4	0	0	0	0	113.9	A32 A33 Q38	A32-S36 WeakPolarHBondContact O-CB 3.41Å; A32-S36 PolarHBondContact O-N 2.96Å; A32-S36 PolarHBondContact O-OG 3.16Å; A33-S36 PolarHBondContact O-N 2.93Å; S36-Q38 PolarHBondContact O-N 3.45Å; S36-Q38 PolarHBondContact OG-N 3.17Å; S36-Q38 PolarHBondContact OG-O 3.08Å
37	G	93.5	Very high	91.2	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	29%	0.288	C	S	.	.	S	Bend	trans	66.9	16.4	-168.1	0	0	0	0	0	113.5	A33 D81 T83 K84	A33-G37 WeakPolarHBondContact O-CA 3.44Å; A33-G37 PolarHBondContact O-N 3.15Å; G37-D81 VanDerWaalsContact CA-O 3.29Å; G37-D81 WeakPolarHBondContact CA-O 3.31Å; G37-T83 PolarHBondContact O-N 2.86Å; G37-T83 PolarHBondContact O-OG1 3.39Å; G37-K84 PolarHBondContact O-N 2.94Å
38	Q	96	Very high	91.8	Very high	91 Å²	91	50.1 Å²	50.1	43%	0.425	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	132.3	-175.8	-55	-176.3	29.1	0	0	112	A33 S36 K84	A33-Q38 VanDerWaalsContact CA-O 3.31Å; A33-Q38 WeakPolarHBondContact CA-O 3.43Å; A33-Q38 WeakPolarHBondContact CB-O 3.25Å; S36-Q38 PolarHBondContact O-N 3.45Å; S36-Q38 PolarHBondContact OG-N 3.17Å; S36-Q38 PolarHBondContact OG-O 3.08Å; Q38-K84 WeakPolarHBondContact CA-O 3.38Å; Q38-K84 HydrophobicContact CB-CB 4.3Å; Q38-K84 HydrophobicContact CG-CB 3.98Å; Q38-K84 HydrophobicContact CG-CD 3.9Å; Q38-K84 HydrophobicContact CG-CG 4.07Å
39	L	96.2	Very high	92.2	Very high	2 Å²	2	48.3 Å²	48.3	1%	0.01	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	115.2	-179.7	177.9	52.5	0	0	0	109.9	L29 L30 A33 L41 V53 L82 K84 L85 L86	L29-L39 HydrophobicContact CD2-CD1 3.05Å; L30-L39 HydrophobicContact CD2-CD2 4.37Å; A33-L39 HydrophobicContact CB-CB 3.95Å; A33-L39 HydrophobicContact CB-CD1 4.17Å; L39-L41 HydrophobicContact CD1-CD1 4.21Å; L39-L41 HydrophobicContact CD1-CD2 3.99Å; L39-L41 HydrophobicContact CD1-CG 3.87Å; L39-L41 HydrophobicContact CD2-CD1 4.1Å; L39-L41 HydrophobicContact CG-CD1 4.05Å; L39-L41 HydrophobicContact CG-CG 3.98Å; L39-V53 HydrophobicContact CD2-CB 4.3Å; L39-V53 HydrophobicContact CD2-CG1 3.52Å; L39-V53 HydrophobicContact CD2-CG2 4.07Å; L39-L82 HydrophobicContact CB-CD1 3.56Å; L39-L82 HydrophobicContact CB-CD2 4.22Å; L39-L82 HydrophobicContact CD2-CD2 4.3Å; L39-K84 PolarHBondContact N-O 3.19Å; L39-L85 HydrophobicContact CB-CD1 4.08Å; L39-L85 HydrophobicContact CD2-CD1 3.95Å; L39-L85 HydrophobicContact CG-CD1 3.94Å; L39-L86 PolarHBondContact O-N 3.14Å
40	N	96	Very high	92.3	Very high	85 Å²	85	46.7 Å²	46.7	46%	0.455	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	113	176.2	-173.4	-9.5	0	0	0	111.4	S42 L86	N40-S42 WeakPolarHBondContact OD1-CB 3.49Å; N40-S42 PolarHBondContact OD1-N 3.39Å; N40-S42 PolarHBondContact OD1-OG 3.43Å; N40-L86 HydrophobicContact CB-CB 4.33Å; N40-L86 HydrophobicContact CB-CD1 4.15Å
41	L	94.9	Very high	92.4	Very high	1 Å²	1	49.8 Å²	49.8	1%	0.005	28%	0.279	C	S	.	.			trans	-122.1	21.5	178.4	-61.9	178	0	0	0	112	V25 L29 L39 L46 V53 L86 L87 N90	V25-L41 HydrophobicContact CB-CD2 4.46Å; V25-L41 HydrophobicContact CG1-CD2 3.67Å; V25-L41 HydrophobicContact CG2-CD1 3.77Å; V25-L41 HydrophobicContact CG2-CD2 4Å; L29-L41 HydrophobicContact CD2-CD2 4.1Å; L39-L41 HydrophobicContact CD1-CD1 4.21Å; L39-L41 HydrophobicContact CD1-CD2 3.99Å; L39-L41 HydrophobicContact CD1-CG 3.87Å; L39-L41 HydrophobicContact CD2-CD1 4.1Å; L39-L41 HydrophobicContact CG-CD1 4.05Å; L39-L41 HydrophobicContact CG-CG 3.98Å; L41-L46 HydrophobicContact CB-CD1 4.02Å; L41-L46 HydrophobicContact CD1-CD1 4.45Å; L41-V53 HydrophobicContact CD1-CG2 3.8Å; L41-L86 WeakPolarHBondContact CA-O 3.5Å; L41-L86 PolarHBondContact N-O 2.8Å; L41-L87 HydrophobicContact CB-CD2 3.88Å; L41-L87 HydrophobicContact CD1-CD2 4.09Å; L41-N90 PolarHBondContact O-ND2 3.01Å
42	S	95	Very high	92.5	Very high	34 Å²	34	50.1 Å²	50.1	24%	0.238	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	147.4	179.2	-61.1	0	0	0	0	112.9	N40 R44 L86 S88	N40-S42 WeakPolarHBondContact OD1-CB 3.49Å; N40-S42 PolarHBondContact OD1-N 3.39Å; N40-S42 PolarHBondContact OD1-OG 3.43Å; S42-R44 VanDerWaalsContact C-N 3.31Å; S42-R44 PolarHBondContact O-N 3.23Å; S42-L86 PolarHBondContact N-O 2.91Å; S42-S88 CarbonylContact C-O 3.13Å; S42-S88 WeakPolarHBondContact CA-O 3.47Å; S42-S88 WeakPolarHBondContact CB-O 3.33Å; S42-S88 WeakPolarHBondContact CB-OG 3.34Å; S42-S88 PolarHBondContact OG-N 2.74Å; S42-S88 VanDerWaalsContact OG-N 3.13Å; S42-S88 PolarHBondContact OG-OG 3.3Å
43	G	92.9	Very high	92.7	Very high	59 Å²	59	47.6 Å²	47.6	61%	0.608	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.2	19.2	171.6	0	0	0	0	0	115.2	S88 S89	G43-S88 PolarHBondContact N-O 3.36Å; G43-S89 WeakPolarHBondContact CA-O 3.39Å; G43-S89 PolarHBondContact N-O 3.18Å
44	R	92.3	Very high	92.7	Very high	123 Å²	123	47.8 Å²	47.8	46%	0.464	26%	0.263	S	S	.	.	S	Bend	trans	-97.8	-2.3	-172.9	-70.5	-177.8	178.2	-91.7	-4.1	114.1	S42 L46 N90	S42-R44 VanDerWaalsContact C-N 3.31Å; S42-R44 PolarHBondContact O-N 3.23Å; R44-L46 VanDerWaalsContact C-N 3.28Å; R44-L46 HydrophobicContact CB-CD1 4.44Å; R44-L46 HydrophobicContact CB-CD2 4.47Å; R44-L46 HydrophobicContact CB-CG 3.98Å; R44-L46 PolarHBondContact O-N 2.95Å; R44-N90 WeakPolarHBondContact CA-OD1 3.39Å; R44-N90 PolarHBondContact N-OD1 2.96Å
45	G	91.7	Very high	92.7	Very high	37 Å²	37	50.7 Å²	50.7	38%	0.381	27%	0.274	S	S	.	.			trans	67.7	27.1	-177.1	0	0	0	0	0	113.4	T47 N90	G45-T47 PolarHBondContact O-N 3.25Å; G45-N90 PolarHBondContact N-OD1 2.79Å
46	L	93	Very high	92.7	Very high	10 Å²	10	45.1 Å²	45.1	5%	0.052	25%	0.25	C	S	.	.			trans	-66	130.6	179.3	-63.1	174.8	0	0	0	110.6	A23 L41 R44 L87 N90 Q91 L92	A23-L46 HydrophobicContact CB-CD2 3.76Å; L41-L46 HydrophobicContact CB-CD1 4.02Å; L41-L46 HydrophobicContact CD1-CD1 4.45Å; R44-L46 VanDerWaalsContact C-N 3.28Å; R44-L46 HydrophobicContact CB-CD1 4.44Å; R44-L46 HydrophobicContact CB-CD2 4.47Å; R44-L46 HydrophobicContact CB-CG 3.98Å; R44-L46 PolarHBondContact O-N 2.95Å; L46-L87 HydrophobicContact CD1-CD2 4.21Å; L46-N90 HydrophobicContact CB-CB 4.21Å; L46-N90 PolarHBondContact N-OD1 3.37Å; L46-Q91 CarbonylContact O-C 3.6Å; L46-Q91 VanDerWaalsContact O-CA 3.29Å; L46-Q91 WeakPolarHBondContact O-CA 3.39Å; L46-Q91 PolarHBondContact O-N 3.01Å; L46-L92 HydrophobicContact CB-CD2 4.03Å; L46-L92 PolarHBondContact O-N 3.22Å
47	T	92.9	Very high	92.4	Very high	85 Å²	85	44 Å²	44	52%	0.521	24%	0.24	S	C	.	.	S	Bend	trans	-91.1	-24.4	172.7	52.8	0	0	0	0	112.6	G45 Q91	G45-T47 PolarHBondContact O-N 3.25Å; T47-Q91 HydrophobicContact CG2-CB 4.32Å
48	E	93.3	Very high	92.1	Very high	116 Å²	116	48.1 Å²	48.1	54%	0.542	26%	0.26	S	S	.	.	S	Bend	trans	-143.5	157.1	174.8	65.7	-169.1	177	0	0	109.3	P50 L92	E48-P50 WeakPolarHBondContact O-CD 3.34Å; E48-L92 VanDerWaalsContact C-CD2 3.4Å
49	V	93.4	Very high	91.5	Very high	11 Å²	11	46.6 Å²	46.6	7%	0.067	26%	0.255	C	S	.	.			trans	-80.1	122.9	173.3	-178.7	0	0	0	0	108	V53 Y54 L87 L92 L95	V49-V53 HydrophobicContact CG1-CB 3.91Å; V49-V53 HydrophobicContact CG1-CG1 3.96Å; V49-V53 HydrophobicContact CG1-CG2 4.37Å; V49-Y54 HydrophobicContact CB-CE2 3.67Å; V49-Y54 WeakPolarHBondContact CB-OH 3.42Å; V49-Y54 HydrophobicContact CG1-CD2 4.31Å; V49-Y54 HydrophobicContact CG1-CE1 4.28Å; V49-Y54 HydrophobicContact CG1-CE2 3.69Å; V49-L87 HydrophobicContact CG1-CD1 4.44Å; V49-L87 HydrophobicContact CG2-CD1 3.65Å; V49-L87 HydrophobicContact CG2-CD2 4.13Å; V49-L92 HydrophobicContact CG2-CD1 3.96Å; V49-L92 HydrophobicContact CG2-CD2 4.04Å; V49-L95 HydrophobicContact CG2-CD1 4.15Å
50	P	91.9	Very high	90.7	Very high	8 Å²	8	52.9 Å²	52.9	5%	0.052	29%	0.289	C	S	.	.			trans	-61.6	142.1	-178.9	-27.7	38.8	0	0	0	112.9	A23 V25 E48 N52 V53	A23-P50 WeakPolarHBondContact O-CG 3.3Å; V25-P50 HydrophobicContact CG2-CB 4.24Å; V25-P50 HydrophobicContact CG2-CG 3.93Å; E48-P50 WeakPolarHBondContact O-CD 3.34Å; P50-N52 VanDerWaalsContact CB-OD1 3.24Å; P50-N52 WeakPolarHBondContact CB-OD1 3.21Å; P50-N52 PolarHBondContact O-N 3.2Å; P50-N52 VanDerWaalsContact O-N 3.16Å; P50-V53 HydrophobicContact CB-CG2 4.37Å; P50-V53 VanDerWaalsContact O-CB 3.28Å; P50-V53 WeakPolarHBondContact O-CB 3.27Å; P50-V53 PolarHBondContact O-N 3.37Å
51	Q	89.9	Confident	89.9	Confident	77 Å²	77	49 Å²	49	36%	0.36	27%	0.269	S	S	.	.	H	α-helix	trans	-59.4	-33.9	-172.6	-167.4	62.1	20.4	0	0	113.8	V53 Y54 R55 D98	Q51-V53 PolarHBondContact O-N 3.36Å; Q51-Y54 PolarHBondContact O-N 2.96Å; Q51-R55 PolarHBondContact O-N 3.36Å; Q51-D98 PolarHBondContact NE2-OD2 3.26Å; Q51-D98 PolarHBondContact OE1-OD2 2.95Å
52	N	89.8	Confident	88.9	Confident	57 Å²	57	51.3 Å²	51.3	31%	0.305	29%	0.288	S	S	.	.	H	α-helix	trans	-64.5	-17.4	177.4	62.6	-6.9	0	0	0	113.7	L30 P50 L56	L30-N52 HydrophobicContact CD1-CB 4.47Å; P50-N52 VanDerWaalsContact CB-OD1 3.24Å; P50-N52 WeakPolarHBondContact CB-OD1 3.21Å; P50-N52 PolarHBondContact O-N 3.2Å; P50-N52 VanDerWaalsContact O-N 3.16Å; N52-L56 PolarHBondContact O-N 3.15Å
53	V	92.4	Very high	87.9	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-73.8	-47.5	172.6	175.2	0	0	0	0	110.8	V25 L39 L41 V49 P50 Q51 R55 L56 L85	V25-V53 HydrophobicContact CG2-CG2 3.66Å; L39-V53 HydrophobicContact CD2-CB 4.3Å; L39-V53 HydrophobicContact CD2-CG1 3.52Å; L39-V53 HydrophobicContact CD2-CG2 4.07Å; L41-V53 HydrophobicContact CD1-CG2 3.8Å; V49-V53 HydrophobicContact CG1-CB 3.91Å; V49-V53 HydrophobicContact CG1-CG1 3.96Å; V49-V53 HydrophobicContact CG1-CG2 4.37Å; P50-V53 HydrophobicContact CB-CG2 4.37Å; P50-V53 VanDerWaalsContact O-CB 3.28Å; P50-V53 WeakPolarHBondContact O-CB 3.27Å; P50-V53 PolarHBondContact O-N 3.37Å; Q51-V53 PolarHBondContact O-N 3.36Å; V53-R55 VanDerWaalsContact C-N 3.26Å; V53-R55 PolarHBondContact O-N 3.17Å; V53-L56 VanDerWaalsContact O-CB 3.32Å; V53-L56 WeakPolarHBondContact O-CB 3.28Å; V53-L56 PolarHBondContact O-N 3.04Å; V53-L85 HydrophobicContact CG1-CD1 4.03Å; V53-L85 HydrophobicContact CG1-CD2 4.36Å
54	Y	91.9	Very high	86.9	Confident	4 Å²	4	48.7 Å²	48.7	2%	0.016	26%	0.26	C	S	.	.	H	α-helix	trans	-63.7	-34.7	178.9	-65.4	-65.7	0	0	0	112.3	V49 Q51 L95 S96 D98 I99 L101 L102	V49-Y54 HydrophobicContact CB-CE2 3.67Å; V49-Y54 WeakPolarHBondContact CB-OH 3.42Å; V49-Y54 HydrophobicContact CG1-CD2 4.31Å; V49-Y54 HydrophobicContact CG1-CE1 4.28Å; V49-Y54 HydrophobicContact CG1-CE2 3.69Å; Q51-Y54 PolarHBondContact O-N 2.96Å; Y54-L95 HydrophobicContact CE1-CD1 4.49Å; Y54-L95 VanDerWaalsContact OH-CD1 3.27Å; Y54-L95 WeakPolarHBondContact OH-CD1 3.28Å; Y54-S96 PolarHBondContact OH-N 2.69Å; Y54-D98 HydrophobicContact CD1-CB 4.11Å; Y54-D98 HydrophobicContact CD2-CB 4.09Å; Y54-D98 HydrophobicContact CG-CB 3.78Å; Y54-I99 HydrophobicContact CD1-CD1 4.43Å; Y54-I99 HydrophobicContact CE1-CB 4.1Å; Y54-I99 HydrophobicContact CE1-CD1 3.93Å; Y54-L101 WeakPolarHBondContact O-CB 3.32Å; Y54-L102 HydrophobicContact CD1-CD1 4.3Å; Y54-L102 WeakPolarHBondContact O-CD2 3.41Å
55	R	90.3	Very high	85.8	Confident	87 Å²	87	51.5 Å²	51.5	33%	0.328	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.1	10.7	-177.4	-56.6	-178.4	62.4	81.4	7.7	113.8	Q51 V53 N57 I58 D59 L101	Q51-R55 PolarHBondContact O-N 3.36Å; V53-R55 VanDerWaalsContact C-N 3.26Å; V53-R55 PolarHBondContact O-N 3.17Å; R55-N57 PolarHBondContact O-N 2.87Å; R55-N57 VanDerWaalsContact O-N 3.12Å; R55-I58 PolarHBondContact O-N 3.34Å; R55-D59 HydrophobicContact CB-CB 4.47Å; R55-D59 WeakPolarHBondContact CB-OD2 3.31Å; R55-D59 IonicContact CZ-OD1 3.03Å; R55-D59 IonicContact NE-OD1 2.99Å; R55-D59 PolarHBondContact NE-OD1 2.96Å; R55-D59 IonicContact NE-OD2 2.79Å; R55-D59 PolarHBondContact NE-OD2 3.32Å; R55-D59 VanDerWaalsContact NE-OD2 3.11Å; R55-D59 IonicContact NH2-OD1 3.22Å; R55-D59 PolarHBondContact NH2-OD1 3.2Å; R55-D59 PolarHBondContact O-N 3.21Å; R55-L101 HydrophobicContact CG-CD1 4.21Å
56	L	87.9	Confident	84.6	Confident	1 Å²	1	57 Å²	57	1%	0.005	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.5	-39.6	-173.4	-176.9	63.2	0	0	0	114	L30 A33 R34 N52 V53 L82	L30-L56 HydrophobicContact CB-CD1 3.91Å; L30-L56 HydrophobicContact CD2-CD1 4.04Å; L30-L56 HydrophobicContact CG-CD1 4.46Å; A33-L56 HydrophobicContact CB-CD2 3.84Å; R34-L56 HydrophobicContact CG-CD1 3.79Å; R34-L56 HydrophobicContact CG-CD2 4.46Å; R34-L56 HydrophobicContact CG-CG 3.97Å; R34-L56 PolarHBondContact NE-O 3.38Å; R34-L56 PolarHBondContact NH2-O 2.92Å; N52-L56 PolarHBondContact O-N 3.15Å; V53-L56 VanDerWaalsContact O-CB 3.32Å; V53-L56 WeakPolarHBondContact O-CB 3.28Å; V53-L56 PolarHBondContact O-N 3.04Å; L56-L82 HydrophobicContact CD2-CB 4.46Å; L56-L82 HydrophobicContact CD2-CD1 4.14Å; L56-L82 HydrophobicContact CD2-CD2 4.36Å
57	N	86.1	Confident	83	Confident	37 Å²	37	60.6 Å²	60.6	20%	0.198	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88	-13.3	-177.7	-72.4	3.4	0	0	0	113.7	R55 D81 L82	R55-N57 PolarHBondContact O-N 2.87Å; R55-N57 VanDerWaalsContact O-N 3.12Å; N57-D81 WeakPolarHBondContact ND2-CA 3.4Å; N57-D81 WeakPolarHBondContact ND2-CB 3.29Å; N57-D81 PolarHBondContact ND2-OD1 3.34Å; N57-L82 PolarHBondContact ND2-N 2.89Å; N57-L82 PolarHBondContact OD1-N 3.36Å
58	I	85.9	Confident	81.4	Confident	85 Å²	85	62.2 Å²	62.2	44%	0.436	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.9	-42.4	-173.9	-59.7	174	0	0	0	110.6	R55 L101	R55-I58 PolarHBondContact O-N 3.34Å; I58-L101 HydrophobicContact CD1-CB 3.86Å; I58-L101 HydrophobicContact CD1-CD1 4.1Å; I58-L101 HydrophobicContact CD1-CD2 3.76Å; I58-L101 HydrophobicContact CD1-CG 4.11Å
59	D	83.6	Confident	79.8	Confident	59 Å²	59	60.1 Å²	60.1	32%	0.316	32%	0.321	S	S	.	.	S	Bend	trans	-77.7	133.4	-176	-69.1	-15.2	0	0	0	110.7	R34 R55	R34-D59 PolarHBondContact NH2-O 3.17Å; R55-D59 HydrophobicContact CB-CB 4.47Å; R55-D59 WeakPolarHBondContact CB-OD2 3.31Å; R55-D59 IonicContact CZ-OD1 3.03Å; R55-D59 IonicContact NE-OD1 2.99Å; R55-D59 PolarHBondContact NE-OD1 2.96Å; R55-D59 IonicContact NE-OD2 2.79Å; R55-D59 PolarHBondContact NE-OD2 3.32Å; R55-D59 VanDerWaalsContact NE-OD2 3.11Å; R55-D59 IonicContact NH2-OD1 3.22Å; R55-D59 PolarHBondContact NH2-OD1 3.2Å; R55-D59 PolarHBondContact O-N 3.21Å
60	D	78.5	Confident	78	Confident	135 Å²	135	67.9 Å²	67.9	72%	0.722	35%	0.354	S	S	*	.	P	Polyproline II helix	trans	-57.5	127.9	175.8	-70.4	-41.8	0	0	0	110.2
61	P	79.5	Confident	76.4	Confident	4 Å²	4	79 Å²	79	3%	0.026	40%	0.395	C	S	.	.	P	Polyproline II helix	trans	-63.9	146	177.3	29.2	-36.1	0	0	0	110	R34 E63 A64 W76	R34-P61 VanDerWaalsContact NH1-CB 3.34Å; P61-E63 VanDerWaalsContact CB-OE2 3.3Å; P61-E63 WeakPolarHBondContact CB-OE2 3.35Å; P61-E63 PolarHBondContact O-N 3.41Å; P61-E63 VanDerWaalsContact O-N 3.08Å; P61-A64 HydrophobicContact CG-CB 4.18Å; P61-A64 WeakPolarHBondContact O-CB 3.39Å; P61-A64 PolarHBondContact O-N 3.43Å; P61-W76 HydrophobicContact CG-CB 4.09Å; P61-W76 HydrophobicContact CG-CD2 3.93Å; P61-W76 HydrophobicContact CG-CE3 3.35Å; P61-W76 HydrophobicContact CG-CG 4.27Å; P61-W76 HydrophobicContact CG-CZ3 4.04Å
62	A	74.9	Confident	74.9	Confident	49 Å²	49	76.9 Å²	76.9	41%	0.405	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-28.6	176.4	0	0	0	0	0	112.3	Y27 A64 Q65	Y27-A62 HydrophobicContact CE2-CB 3.95Å; A62-A64 PolarHBondContact O-N 3.44Å; A62-Q65 PolarHBondContact O-N 3.24Å
63	E	74.1	Confident	73.4	Confident	14 Å²	14	80.4 Å²	80.4	7%	0.065	42%	0.423	C	S	.	.	H	α-helix	trans	-58.5	-25.9	173.3	-63.4	94.4	146.9	0	0	113.8	Y27 K31 P61 Q65 E66 N67 W76	Y27-E63 VanDerWaalsContact OH-CG 3.3Å; Y27-E63 WeakPolarHBondContact OH-CG 3.34Å; Y27-E63 PolarHBondContact OH-OE1 3.21Å; Y27-E63 VanDerWaalsContact OH-OE1 3.08Å; Y27-E63 PolarHBondContact OH-OE2 3.14Å; K31-E63 WeakPolarHBondContact CD-OE1 3.46Å; K31-E63 WeakPolarHBondContact CE-OE1 3.48Å; K31-E63 VanDerWaalsContact CG-OE1 3.29Å; K31-E63 WeakPolarHBondContact CG-OE1 3.4Å; K31-E63 IonicContact NZ-OE1 3.05Å; P61-E63 VanDerWaalsContact CB-OE2 3.3Å; P61-E63 WeakPolarHBondContact CB-OE2 3.35Å; P61-E63 PolarHBondContact O-N 3.41Å; P61-E63 VanDerWaalsContact O-N 3.08Å; E63-Q65 PolarHBondContact O-N 2.8Å; E63-E66 PolarHBondContact O-N 2.62Å; E63-N67 PolarHBondContact O-N 3.2Å; E63-W76 HydrophobicContact CB-CB 3.94Å; E63-W76 HydrophobicContact CB-CG 4.4Å
64	A	70.8	Confident	72.1	Confident	24 Å²	24	82.9 Å²	82.9	20%	0.198	44%	0.436	C	S	.	.	H	α-helix	trans	-63.2	-26.6	176.4	0	0	0	0	0	112.1	P61 A62 W76	P61-A64 HydrophobicContact CG-CB 4.18Å; P61-A64 WeakPolarHBondContact O-CB 3.39Å; P61-A64 PolarHBondContact O-N 3.43Å; A62-A64 PolarHBondContact O-N 3.44Å; A64-W76 HydrophobicContact CB-CD2 3.98Å; A64-W76 HydrophobicContact CB-CE3 4.15Å; A64-W76 HydrophobicContact CB-CH2 3.82Å; A64-W76 HydrophobicContact CB-CZ2 3.64Å; A64-W76 HydrophobicContact CB-CZ3 4.07Å
65	Q	70.5	Confident	71.2	Confident	181 Å²	181	88.2 Å²	88.2	85%	0.846	46%	0.456	S	S	*	.	H	α-helix	trans	-87.7	-22.8	178	-60.4	-174.9	-8.3	0	0	112.8	A62 E63	A62-Q65 PolarHBondContact O-N 3.24Å; E63-Q65 PolarHBondContact O-N 2.8Å
66	E	65.8	Low	70.3	Confident	152 Å²	152	87.5 Å²	87.5	71%	0.71	45%	0.454	S	S	*	.	H	α-helix	trans	-102.5	-34.2	-174.4	-67.1	-173.8	172.7	0	0	114.3	E63	E63-E66 PolarHBondContact O-N 2.62Å
67	N	59.3	Low	69.7	Low	86 Å²	86	92.7 Å²	92.7	46%	0.46	47%	0.473	S	S	.	.			trans	-125.3	89.9	-171.6	-89.6	-42.6	0	0	0	112.6	E63	E63-N67 PolarHBondContact O-N 3.2Å
68	V	60.6	Low	69.4	Low	120 Å²	120	96.3 Å²	96.3	73%	0.727	49%	0.489	S	S	*	.			trans	-94.5	4.7	173.4	-114.3	0	0	0	0	113.4	F70	V68-F70 PolarHBondContact O-N 3.16Å
69	S	58.8	Low	69.2	Low	71 Å²	71	95.3 Å²	95.3	50%	0.497	48%	0.483	S	S	.	.			trans	-80	117.8	-176.4	175.2	0	0	0	0	112.6	R71 G72	S69-R71 PolarHBondContact O-N 3.22Å; S69-R71 PolarHBondContact OG-N 3.42Å; S69-G72 PolarHBondContact O-N 2.86Å
70	F	56.5	Low	69.4	Low	174 Å²	174	95.7 Å²	95.7	76%	0.763	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-13.9	176.5	-76	-84	0	0	0	115.2	V68	V68-F70 PolarHBondContact O-N 3.16Å
71	R	56.8	Low	70	Confident	241 Å²	241	93.5 Å²	93.5	91%	0.909	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.3	0.7	-176.6	-66.9	-169.9	174.3	-154.9	-0.9	114.2	S69	S69-R71 PolarHBondContact O-N 3.22Å; S69-R71 PolarHBondContact OG-N 3.42Å
72	G	58	Low	70.8	Confident	33 Å²	33	93.3 Å²	93.3	34%	0.34	47%	0.474	S	S	.	.			trans	-70.8	146.7	176.9	0	0	0	0	0	112.5	S69 D74	S69-G72 PolarHBondContact O-N 2.86Å; G72-D74 PolarHBondContact O-N 3.08Å
73	S	59.1	Low	71.8	Confident	131 Å²	131	92.8 Å²	92.8	92%	0.916	47%	0.466	S	S	*	.	S	Bend	trans	-72.6	-5.8	175	58.7	0	0	0	0	113.7
74	D	65.5	Low	72.9	Confident	52 Å²	52	95.2 Å²	95.2	28%	0.278	48%	0.477	S	S	.	.			trans	-121.6	74.7	-171.4	-145.1	-5.6	0	0	0	110.2	K31 K35 G72 W76	K31-D74 WeakPolarHBondContact CE-OD2 3.36Å; K31-D74 IonicContact NZ-OD2 3.52Å; K31-D74 PolarHBondContact NZ-OD2 2.91Å; K35-D74 WeakPolarHBondContact CE-OD1 3.33Å; K35-D74 IonicContact NZ-OD1 3.7Å; K35-D74 PolarHBondContact NZ-OD1 3.23Å; K35-D74 IonicContact NZ-OD2 3.8Å; G72-D74 PolarHBondContact O-N 3.08Å; D74-W76 PolarHBondContact O-N 3.4Å
75	R	71.9	Confident	74.2	Confident	116 Å²	116	94.1 Å²	94.1	44%	0.438	47%	0.467	S	S	.	.			trans	-79.3	96.6	-177.8	-64.9	-179.9	175.9	176.4	1.1	109.8	W77 E78	R75-W77 HydrophobicContact CB-CD2 4.08Å; R75-W77 HydrophobicContact CB-CH2 4.23Å; R75-W77 HydrophobicContact CB-CZ2 3.76Å; R75-W77 HydrophobicContact CG-CH2 3.93Å; R75-W77 HydrophobicContact CG-CZ2 3.43Å; R75-W77 VanDerWaalsContact CG-CZ2 3.43Å; R75-W77 PolarHBondContact O-N 2.87Å; R75-W77 VanDerWaalsContact O-N 3.12Å; R75-E78 HydrophobicContact CB-CB 4.38Å; R75-E78 HydrophobicContact CB-CG 4.05Å; R75-E78 VanDerWaalsContact CD-CD 3.47Å; R75-E78 WeakPolarHBondContact CD-OE1 3.13Å; R75-E78 IonicContact CZ-OE1 2.85Å; R75-E78 IonicContact NE-OE1 3.11Å; R75-E78 IonicContact NH1-OE1 2.75Å; R75-E78 PolarHBondContact NH1-OE1 3Å; R75-E78 PolarHBondContact O-N 3.04Å; R75-E78 VanDerWaalsContact O-N 3.1Å
76	W	71.3	Confident	75.5	Confident	73 Å²	73	87.6 Å²	87.6	28%	0.277	44%	0.438	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-18.4	-178.3	69.2	-97	0	0	0	113.6	P61 E63 A64 D74 Q79	P61-W76 HydrophobicContact CG-CB 4.09Å; P61-W76 HydrophobicContact CG-CD2 3.93Å; P61-W76 HydrophobicContact CG-CE3 3.35Å; P61-W76 HydrophobicContact CG-CG 4.27Å; P61-W76 HydrophobicContact CG-CZ3 4.04Å; E63-W76 HydrophobicContact CB-CB 3.94Å; E63-W76 HydrophobicContact CB-CG 4.4Å; A64-W76 HydrophobicContact CB-CD2 3.98Å; A64-W76 HydrophobicContact CB-CE3 4.15Å; A64-W76 HydrophobicContact CB-CH2 3.82Å; A64-W76 HydrophobicContact CB-CZ2 3.64Å; A64-W76 HydrophobicContact CB-CZ3 4.07Å; D74-W76 PolarHBondContact O-N 3.4Å; W76-Q79 WeakPolarHBondContact O-CG 3.12Å; W76-Q79 PolarHBondContact O-NE2 3.39Å
77	W	76.1	Confident	77	Confident	109 Å²	109	80.3 Å²	80.3	41%	0.413	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-11.5	177.4	58.3	82.2	0	0	0	113.9	R75 Q79	R75-W77 HydrophobicContact CB-CD2 4.08Å; R75-W77 HydrophobicContact CB-CH2 4.23Å; R75-W77 HydrophobicContact CB-CZ2 3.76Å; R75-W77 HydrophobicContact CG-CH2 3.93Å; R75-W77 HydrophobicContact CG-CZ2 3.43Å; R75-W77 VanDerWaalsContact CG-CZ2 3.43Å; R75-W77 PolarHBondContact O-N 2.87Å; R75-W77 VanDerWaalsContact O-N 3.12Å; W77-Q79 PolarHBondContact O-N 2.9Å
78	E	79.4	Confident	78.8	Confident	114 Å²	114	76.7 Å²	76.7	53%	0.533	39%	0.385	S	S	.	.	S	Bend	trans	-88.2	55.5	172.9	-67.2	177.6	-174.7	0	0	110.1	R75	R75-E78 HydrophobicContact CB-CB 4.38Å; R75-E78 HydrophobicContact CB-CG 4.05Å; R75-E78 VanDerWaalsContact CD-CD 3.47Å; R75-E78 WeakPolarHBondContact CD-OE1 3.13Å; R75-E78 IonicContact CZ-OE1 2.85Å; R75-E78 IonicContact NE-OE1 3.11Å; R75-E78 IonicContact NH1-OE1 2.75Å; R75-E78 PolarHBondContact NH1-OE1 3Å; R75-E78 PolarHBondContact O-N 3.04Å; R75-E78 VanDerWaalsContact O-N 3.1Å
79	Q	82.1	Confident	80.5	Confident	63 Å²	63	73.3 Å²	73.3	29%	0.294	37%	0.367	S	S	.	.	P	Polyproline II helix	trans	-82.5	143.6	178.8	-52.9	-170.4	20.2	0	0	111.2	R34 W76 W77	R34-Q79 HydrophobicContact CB-CG 4.35Å; R34-Q79 WeakPolarHBondContact O-CA 3.18Å; W76-Q79 WeakPolarHBondContact O-CG 3.12Å; W76-Q79 PolarHBondContact O-NE2 3.39Å; W77-Q79 PolarHBondContact O-N 2.9Å
80	T	87.6	Confident	82.3	Confident	67 Å²	67	70.4 Å²	70.4	41%	0.411	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-101.9	131.3	167.7	-55	0	0	0	0	108	R34	R34-T80 PolarHBondContact O-N 3.38Å
81	D	91.4	Very high	84.2	Confident	89 Å²	89	67.6 Å²	67.6	48%	0.476	34%	0.335	S	S	.	.	P	Polyproline II helix	trans	-57.5	148.5	174.6	-76.7	-36.8	0	0	0	111.8	G37 N57 T83 A104	G37-D81 VanDerWaalsContact CA-O 3.29Å; G37-D81 WeakPolarHBondContact CA-O 3.31Å; N57-D81 WeakPolarHBondContact ND2-CA 3.4Å; N57-D81 WeakPolarHBondContact ND2-CB 3.29Å; N57-D81 PolarHBondContact ND2-OD1 3.34Å; D81-T83 PolarHBondContact O-N 3.14Å; D81-A104 HydrophobicContact CB-CB 3.55Å
82	L	95.6	Very high	86.1	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	29%	0.292	C	S	.	.			trans	-68.8	110.7	178.7	-167.7	70.1	0	0	0	110.4	A33 L39 L56 N57 L85 L102 A104 L105	A33-L82 HydrophobicContact CB-CD1 4.31Å; L39-L82 HydrophobicContact CB-CD1 3.56Å; L39-L82 HydrophobicContact CB-CD2 4.22Å; L39-L82 HydrophobicContact CD2-CD2 4.3Å; L56-L82 HydrophobicContact CD2-CB 4.46Å; L56-L82 HydrophobicContact CD2-CD1 4.14Å; L56-L82 HydrophobicContact CD2-CD2 4.36Å; N57-L82 PolarHBondContact ND2-N 2.89Å; N57-L82 PolarHBondContact OD1-N 3.36Å; L82-L85 HydrophobicContact CD2-CB 4.28Å; L82-L85 HydrophobicContact CD2-CD1 4.36Å; L82-L102 HydrophobicContact CB-CD2 4.29Å; L82-L102 HydrophobicContact CD2-CD1 4.07Å; L82-L102 HydrophobicContact CD2-CD2 4.21Å; L82-A104 CarbonylContact O-C 3.5Å; L82-L105 HydrophobicContact CD2-CD2 4.38Å; L82-L105 HydrophobicContact CG-CD2 4.19Å; L82-L105 WeakPolarHBondContact O-CD2 3.41Å; L82-L105 PolarHBondContact O-N 3.12Å
83	T	96.8	Very high	87.8	Confident	39 Å²	39	58.3 Å²	58.3	24%	0.239	30%	0.299	C	S	.	.			trans	-101.7	-22.7	-179.9	61.1	0	0	0	0	113.2	G37 D81 A104 T106 I107	G37-T83 PolarHBondContact O-N 2.86Å; G37-T83 PolarHBondContact O-OG1 3.39Å; D81-T83 PolarHBondContact O-N 3.14Å; T83-A104 WeakPolarHBondContact CA-O 3.25Å; T83-T106 PolarHBondContact O-N 3.41Å; T83-T106 PolarHBondContact O-OG1 3.39Å; T83-I107 PolarHBondContact O-N 2.9Å; T83-I107 VanDerWaalsContact O-N 3.1Å
84	K	97.9	Very high	89.5	Confident	65 Å²	65	57.8 Å²	57.8	28%	0.283	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	123.4	178.2	-52.2	-175.8	-173.7	167.1	0	111.2	G37 Q38 L39 I107	G37-K84 PolarHBondContact O-N 2.94Å; Q38-K84 WeakPolarHBondContact CA-O 3.38Å; Q38-K84 HydrophobicContact CB-CB 4.3Å; Q38-K84 HydrophobicContact CG-CB 3.98Å; Q38-K84 HydrophobicContact CG-CD 3.9Å; Q38-K84 HydrophobicContact CG-CG 4.07Å; L39-K84 PolarHBondContact N-O 3.19Å; K84-I107 WeakPolarHBondContact CA-O 3.04Å; K84-I107 HydrophobicContact CB-CB 4.31Å; K84-I107 HydrophobicContact CD-CD1 3.94Å; K84-I107 HydrophobicContact CD-CG1 4.5Å; K84-I107 HydrophobicContact CG-CB 4.06Å; K84-I107 HydrophobicContact CG-CD1 4.23Å; K84-I107 HydrophobicContact CG-CG1 4.25Å
85	L	97.6	Very high	90.9	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	113	175.4	179.2	56.5	0	0	0	109.3	L39 V53 L82 L87 I99 L102 L105 I107 L108 D109	L39-L85 HydrophobicContact CB-CD1 4.08Å; L39-L85 HydrophobicContact CD2-CD1 3.95Å; L39-L85 HydrophobicContact CG-CD1 3.94Å; V53-L85 HydrophobicContact CG1-CD1 4.03Å; V53-L85 HydrophobicContact CG1-CD2 4.36Å; L82-L85 HydrophobicContact CD2-CB 4.28Å; L82-L85 HydrophobicContact CD2-CD1 4.36Å; L85-L87 HydrophobicContact CD1-CD1 4.11Å; L85-L87 HydrophobicContact CD1-CD2 4.45Å; L85-L87 HydrophobicContact CD1-CG 3.96Å; L85-L87 HydrophobicContact CD2-CD1 3.73Å; L85-L87 HydrophobicContact CD2-CG 4.47Å; L85-L87 HydrophobicContact CG-CD1 3.72Å; L85-L87 HydrophobicContact CG-CG 3.94Å; L85-I99 HydrophobicContact CD2-CD1 4.37Å; L85-L102 HydrophobicContact CD2-CD1 4.14Å; L85-L105 HydrophobicContact CB-CD2 3.76Å; L85-I107 PolarHBondContact N-O 2.89Å; L85-L108 HydrophobicContact CB-CD1 4.08Å; L85-L108 HydrophobicContact CD2-CD1 4Å; L85-L108 HydrophobicContact CG-CD1 4.08Å; L85-D109 PolarHBondContact O-N 2.86Å
86	L	97.8	Very high	92	Very high	44 Å²	44	52.5 Å²	52.5	23%	0.23	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	113.6	179.1	-45.9	176.7	0	0	0	109	L39 N40 L41 S42 I107 D109	L39-L86 PolarHBondContact O-N 3.14Å; N40-L86 HydrophobicContact CB-CB 4.33Å; N40-L86 HydrophobicContact CB-CD1 4.15Å; L41-L86 WeakPolarHBondContact CA-O 3.5Å; L41-L86 PolarHBondContact N-O 2.8Å; S42-L86 PolarHBondContact N-O 2.91Å; L86-I107 HydrophobicContact CD2-CG2 4.39Å; L86-D109 HydrophobicContact CB-CB 4.49Å; L86-D109 HydrophobicContact CD2-CB 3.63Å
87	L	96.8	Very high	93.2	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	27%	0.27	C	S	.	.			trans	-125.4	22.6	-173.6	-78	167.6	0	0	0	111.8	L41 L46 V49 L85 N90 L92 D109 L110 N113	L41-L87 HydrophobicContact CB-CD2 3.88Å; L41-L87 HydrophobicContact CD1-CD2 4.09Å; L46-L87 HydrophobicContact CD1-CD2 4.21Å; V49-L87 HydrophobicContact CG1-CD1 4.44Å; V49-L87 HydrophobicContact CG2-CD1 3.65Å; V49-L87 HydrophobicContact CG2-CD2 4.13Å; L85-L87 HydrophobicContact CD1-CD1 4.11Å; L85-L87 HydrophobicContact CD1-CD2 4.45Å; L85-L87 HydrophobicContact CD1-CG 3.96Å; L85-L87 HydrophobicContact CD2-CD1 3.73Å; L85-L87 HydrophobicContact CD2-CG 4.47Å; L85-L87 HydrophobicContact CG-CD1 3.72Å; L85-L87 HydrophobicContact CG-CG 3.94Å; L87-N90 VanDerWaalsContact C-ND2 3.35Å; L87-N90 PolarHBondContact O-ND2 3.48Å; L87-L92 HydrophobicContact CB-CD1 4.08Å; L87-L92 HydrophobicContact CD1-CD1 4.4Å; L87-L92 HydrophobicContact CD2-CD1 4.49Å; L87-D109 CarbonylContact C-O 3.19Å; L87-D109 WeakPolarHBondContact CA-O 3.32Å; L87-D109 WeakPolarHBondContact CB-O 3.25Å; L87-D109 PolarHBondContact N-O 3.47Å; L87-L110 HydrophobicContact CB-CD2 3.78Å; L87-L110 HydrophobicContact CD1-CD2 3.78Å; L87-L110 HydrophobicContact CG-CD2 4.46Å; L87-N113 PolarHBondContact O-ND2 3.01Å
88	S	96.8	Very high	94.1	Very high	9 Å²	9	49.8 Å²	49.8	6%	0.063	26%	0.262	C	S	.	.			trans	-79.2	159.5	-168.1	67.2	0	0	0	0	115.5	S42 G43 N90 H111	S42-S88 CarbonylContact C-O 3.13Å; S42-S88 WeakPolarHBondContact CA-O 3.47Å; S42-S88 WeakPolarHBondContact CB-O 3.33Å; S42-S88 WeakPolarHBondContact CB-OG 3.34Å; S42-S88 PolarHBondContact OG-N 2.74Å; S42-S88 VanDerWaalsContact OG-N 3.13Å; S42-S88 PolarHBondContact OG-OG 3.3Å; G43-S88 PolarHBondContact N-O 3.36Å; S88-N90 PolarHBondContact O-N 3.06Å; S88-N90 PolarHBondContact O-ND2 3.21Å; S88-H111 CarbonylContact C-O 3.49Å; S88-H111 WeakPolarHBondContact CA-O 3.44Å; S88-H111 WeakPolarHBondContact CB-CD2 3.35Å; S88-H111 WeakPolarHBondContact CB-CE1 3.45Å; S88-H111 WeakPolarHBondContact CB-ND1 3.43Å; S88-H111 WeakPolarHBondContact CB-NE2 3.31Å; S88-H111 VanDerWaalsContact CB-O 3.31Å; S88-H111 WeakPolarHBondContact CB-O 3.37Å; S88-H111 PolarHBondContact OG-CD2 3.32Å; S88-H111 PolarHBondContact OG-CE1 3.1Å; S88-H111 PolarHBondContact OG-NE2 3.06Å
89	S	96.7	Very high	94.9	Very high	49 Å²	49	44.3 Å²	44.3	34%	0.343	24%	0.237	S	C	.	.	S	Bend	trans	54	50.5	-178	-64	0	0	0	0	112.2	G43 H111 D112	G43-S89 WeakPolarHBondContact CA-O 3.39Å; G43-S89 PolarHBondContact N-O 3.18Å; S89-H111 PolarHBondContact N-O 3.18Å; S89-D112 CarbonylContact C-O 3.58Å; S89-D112 WeakPolarHBondContact CA-O 3.48Å; S89-D112 WeakPolarHBondContact CA-OD2 3.28Å; S89-D112 WeakPolarHBondContact CB-OD2 3.38Å; S89-D112 PolarHBondContact N-O 3.36Å; S89-D112 VanDerWaalsContact N-O 3.15Å; S89-D112 PolarHBondContact OG-OD2 3.49Å
90	N	96.3	Very high	95.5	Very high	11 Å²	11	45.4 Å²	45.4	6%	0.059	24%	0.24	C	C	.	.	S	Bend	trans	-120.9	-167.1	175.8	-80.5	-60.6	0	0	0	109.6	L41 R44 G45 L46 L87 S88 L92 D112 N113	L41-N90 PolarHBondContact O-ND2 3.01Å; R44-N90 WeakPolarHBondContact CA-OD1 3.39Å; R44-N90 PolarHBondContact N-OD1 2.96Å; G45-N90 PolarHBondContact N-OD1 2.79Å; L46-N90 HydrophobicContact CB-CB 4.21Å; L46-N90 PolarHBondContact N-OD1 3.37Å; L87-N90 VanDerWaalsContact C-ND2 3.35Å; L87-N90 PolarHBondContact O-ND2 3.48Å; S88-N90 PolarHBondContact O-N 3.06Å; S88-N90 PolarHBondContact O-ND2 3.21Å; N90-L92 HydrophobicContact CB-CG 4.14Å; N90-D112 PolarHBondContact N-O 3.01Å; N90-D112 VanDerWaalsContact N-O 3.11Å; N90-N113 VanDerWaalsContact CA-OD1 3.32Å; N90-N113 WeakPolarHBondContact CA-OD1 3.5Å; N90-N113 WeakPolarHBondContact CB-OD1 3.44Å; N90-N113 PolarHBondContact N-OD1 2.91Å; N90-N113 PolarHBondContact O-OD1 3.07Å
91	Q	96.6	Very high	95.9	Very high	114 Å²	114	44.3 Å²	44.3	53%	0.533	23%	0.232	S	C	.	.			trans	-118.8	29.6	180	-60	178.4	28.4	0	0	111.1	L46 T47 T93 N113	L46-Q91 CarbonylContact O-C 3.6Å; L46-Q91 VanDerWaalsContact O-CA 3.29Å; L46-Q91 WeakPolarHBondContact O-CA 3.39Å; L46-Q91 PolarHBondContact O-N 3.01Å; T47-Q91 HydrophobicContact CG2-CB 4.32Å; Q91-T93 PolarHBondContact O-N 3.37Å; Q91-N113 PolarHBondContact N-OD1 3.47Å
92	L	96.3	Very high	96.1	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.209	C	C	.	.			trans	-65.1	123.9	-176.3	-59.6	175.8	0	0	0	110.1	L46 E48 V49 L87 N90 L110 N113 Q114 L115	L46-L92 HydrophobicContact CB-CD2 4.03Å; L46-L92 PolarHBondContact O-N 3.22Å; E48-L92 VanDerWaalsContact C-CD2 3.4Å; V49-L92 HydrophobicContact CG2-CD1 3.96Å; V49-L92 HydrophobicContact CG2-CD2 4.04Å; L87-L92 HydrophobicContact CB-CD1 4.08Å; L87-L92 HydrophobicContact CD1-CD1 4.4Å; L87-L92 HydrophobicContact CD2-CD1 4.49Å; N90-L92 HydrophobicContact CB-CG 4.14Å; L92-L110 HydrophobicContact CD1-CD2 3.85Å; L92-N113 HydrophobicContact CB-CB 4.28Å; L92-N113 VanDerWaalsContact CB-OD1 3.29Å; L92-N113 WeakPolarHBondContact CB-OD1 3.25Å; L92-N113 VanDerWaalsContact CG-OD1 3.28Å; L92-N113 WeakPolarHBondContact CG-OD1 3.21Å; L92-N113 PolarHBondContact N-OD1 3.44Å; L92-Q114 CarbonylContact O-C 3.1Å; L92-Q114 VanDerWaalsContact O-CA 3.24Å; L92-Q114 WeakPolarHBondContact O-CA 3.38Å; L92-Q114 PolarHBondContact O-N 3.45Å; L92-L115 HydrophobicContact CB-CD2 4.02Å; L92-L115 PolarHBondContact O-N 2.98Å; L92-L115 VanDerWaalsContact O-N 3.07Å
93	T	94.9	Very high	96.1	Very high	79 Å²	79	43.6 Å²	43.6	49%	0.485	23%	0.232	S	C	.	.			trans	-95	-27.5	178.1	54.9	0	0	0	0	113.1	Q91 Q114 L115 S116	Q91-T93 PolarHBondContact O-N 3.37Å; T93-Q114 HydrophobicContact CG2-CB 4.28Å; T93-L115 WeakPolarHBondContact O-CA 3.29Å; T93-S116 PolarHBondContact O-N 2.97Å
94	Q	94.5	Very high	96.1	Very high	120 Å²	120	42.8 Å²	42.8	56%	0.561	23%	0.229	S	C	*	.			trans	-147	161.6	177.8	-66.5	-172.2	-21.3	0	0	110.2
95	L	95.6	Very high	96.1	Very high	12 Å²	12	39.7 Å²	39.7	6%	0.063	22%	0.215	C	C	.	.			trans	-114.4	134	171.5	-174.8	75.7	0	0	0	108.5	V49 Y54 I99 L108 L110 P119	V49-L95 HydrophobicContact CG2-CD1 4.15Å; Y54-L95 HydrophobicContact CE1-CD1 4.49Å; Y54-L95 VanDerWaalsContact OH-CD1 3.27Å; Y54-L95 WeakPolarHBondContact OH-CD1 3.28Å; L95-I99 HydrophobicContact CD1-CD1 4.48Å; L95-I99 HydrophobicContact CD2-CB 4.23Å; L95-I99 HydrophobicContact CD2-CD1 4.34Å; L95-I99 HydrophobicContact CD2-CG1 4.11Å; L95-I99 HydrophobicContact CD2-CG2 4.4Å; L95-L108 HydrophobicContact CD2-CD2 4.47Å; L95-L110 HydrophobicContact CD1-CD2 4.42Å; L95-L110 HydrophobicContact CD2-CD1 4.15Å; L95-P119 HydrophobicContact CB-CG 4.12Å; L95-P119 HydrophobicContact CD2-CG 3.94Å; L95-P119 HydrophobicContact CG-CG 4.15Å
96	S	95.1	Very high	96.1	Very high	45 Å²	45	41 Å²	41	32%	0.315	22%	0.224	S	C	.	.			trans	-68.8	150.9	-179.9	-176.6	0	0	0	0	112.2	Y54 D98 I99	Y54-S96 PolarHBondContact OH-N 2.69Å; S96-D98 PolarHBondContact O-N 3.39Å; S96-D98 VanDerWaalsContact O-N 3.17Å; S96-D98 PolarHBondContact OG-N 3.16Å; S96-D98 PolarHBondContact OG-OD2 3.32Å; S96-I99 PolarHBondContact O-N 3.24Å
97	E	95.7	Very high	96.1	Very high	80 Å²	80	40.2 Å²	40.2	37%	0.374	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-60.9	-17.4	168.8	-66.4	-68.2	151.3	0	0	112.2	I99 K100 P119 S120 A121	E97-I99 PolarHBondContact O-N 3.43Å; E97-I99 VanDerWaalsContact O-N 3.08Å; E97-K100 WeakPolarHBondContact O-CG 3.42Å; E97-K100 PolarHBondContact O-N 3.12Å; E97-P119 VanDerWaalsContact CD-CB 3.43Å; E97-P119 HydrophobicContact CG-CB 4.2Å; E97-P119 VanDerWaalsContact OE1-CA 3.26Å; E97-P119 WeakPolarHBondContact OE1-CA 3.34Å; E97-P119 WeakPolarHBondContact OE1-CB 3.47Å; E97-S120 PolarHBondContact OE1-N 2.95Å; E97-S120 VanDerWaalsContact OE1-N 3.11Å; E97-S120 PolarHBondContact OE2-OG 3.15Å; E97-A121 HydrophobicContact CB-CB 4.28Å; E97-A121 WeakPolarHBondContact O-CB 3.46Å; E97-A121 WeakPolarHBondContact OE2-CB 3.37Å; E97-A121 PolarHBondContact OE2-N 2.85Å
98	D	95.7	Very high	96.2	Very high	45 Å²	45	40.2 Å²	40.2	24%	0.241	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-67.2	-4.2	175.6	-68.7	-30.6	0	0	0	113.8	Q51 Y54 S96 K100 L101	Q51-D98 PolarHBondContact NE2-OD2 3.26Å; Q51-D98 PolarHBondContact OE1-OD2 2.95Å; Y54-D98 HydrophobicContact CD1-CB 4.11Å; Y54-D98 HydrophobicContact CD2-CB 4.09Å; Y54-D98 HydrophobicContact CG-CB 3.78Å; S96-D98 PolarHBondContact O-N 3.39Å; S96-D98 VanDerWaalsContact O-N 3.17Å; S96-D98 PolarHBondContact OG-N 3.16Å; S96-D98 PolarHBondContact OG-OD2 3.32Å; D98-K100 PolarHBondContact O-N 2.88Å; D98-K100 VanDerWaalsContact O-N 3.16Å; D98-L101 HydrophobicContact CB-CD1 4.05Å; D98-L101 HydrophobicContact CB-CG 4.47Å; D98-L101 VanDerWaalsContact O-CB 3.26Å; D98-L101 WeakPolarHBondContact O-CB 3.33Å; D98-L101 WeakPolarHBondContact O-CG 3.37Å; D98-L101 PolarHBondContact O-N 3.45Å
99	I	95.9	Very high	96.3	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-55.7	-29.8	171.5	-165.5	69.3	0	0	0	112.3	Y54 L85 L95 S96 E97 L101 L102 L105 L108 P119 A121 L122 L125	Y54-I99 HydrophobicContact CD1-CD1 4.43Å; Y54-I99 HydrophobicContact CE1-CB 4.1Å; Y54-I99 HydrophobicContact CE1-CD1 3.93Å; L85-I99 HydrophobicContact CD2-CD1 4.37Å; L95-I99 HydrophobicContact CD1-CD1 4.48Å; L95-I99 HydrophobicContact CD2-CB 4.23Å; L95-I99 HydrophobicContact CD2-CD1 4.34Å; L95-I99 HydrophobicContact CD2-CG1 4.11Å; L95-I99 HydrophobicContact CD2-CG2 4.4Å; S96-I99 PolarHBondContact O-N 3.24Å; E97-I99 PolarHBondContact O-N 3.43Å; E97-I99 VanDerWaalsContact O-N 3.08Å; I99-L101 PolarHBondContact O-N 2.97Å; I99-L101 VanDerWaalsContact O-N 3.11Å; I99-L102 HydrophobicContact CD1-CD1 4.31Å; I99-L102 PolarHBondContact O-N 2.98Å; I99-L102 VanDerWaalsContact O-N 3.07Å; I99-L105 HydrophobicContact CD1-CD1 4.01Å; I99-L108 HydrophobicContact CD1-CD2 4.36Å; I99-P119 HydrophobicContact CG2-CG 4.1Å; I99-A121 HydrophobicContact CG2-CB 3.99Å; I99-L122 HydrophobicContact CG1-CD1 4.5Å; I99-L125 HydrophobicContact CG1-CD1 3.93Å
100	K	94.6	Very high	96.3	Very high	86 Å²	86	37.8 Å²	37.8	37%	0.374	20%	0.202	S	C	.	.	G	3₁₀ helix	trans	-59.7	-19.8	174.5	66.9	-168.6	176.3	-175.5	0	114.7	E97 D98 L102 A121 E124	E97-K100 WeakPolarHBondContact O-CG 3.42Å; E97-K100 PolarHBondContact O-N 3.12Å; D98-K100 PolarHBondContact O-N 2.88Å; D98-K100 VanDerWaalsContact O-N 3.16Å; K100-L102 PolarHBondContact O-N 3.36Å; K100-A121 HydrophobicContact CB-CB 4.07Å; K100-A121 HydrophobicContact CD-CB 4.22Å; K100-A121 HydrophobicContact CG-CB 4.46Å; K100-E124 HydrophobicContact CB-CB 4.23Å; K100-E124 WeakPolarHBondContact CB-OE2 3.4Å
101	L	95.2	Very high	96.3	Very high	43 Å²	43	40 Å²	40	23%	0.225	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-71.6	-4.7	177.1	-57.9	-179.5	0	0	0	112.6	Y54 R55 I58 D98 I99 P103	Y54-L101 WeakPolarHBondContact O-CB 3.32Å; R55-L101 HydrophobicContact CG-CD1 4.21Å; I58-L101 HydrophobicContact CD1-CB 3.86Å; I58-L101 HydrophobicContact CD1-CD1 4.1Å; I58-L101 HydrophobicContact CD1-CD2 3.76Å; I58-L101 HydrophobicContact CD1-CG 4.11Å; D98-L101 HydrophobicContact CB-CD1 4.05Å; D98-L101 HydrophobicContact CB-CG 4.47Å; D98-L101 VanDerWaalsContact O-CB 3.26Å; D98-L101 WeakPolarHBondContact O-CB 3.33Å; D98-L101 WeakPolarHBondContact O-CG 3.37Å; D98-L101 PolarHBondContact O-N 3.45Å; I99-L101 PolarHBondContact O-N 2.97Å; I99-L101 VanDerWaalsContact O-N 3.11Å; L101-P103 VanDerWaalsContact O-CD 3.23Å; L101-P103 WeakPolarHBondContact O-CD 3.23Å
102	L	95.8	Very high	96.4	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.205	C	C	.	.			trans	-116.6	59.8	178.8	-56.9	173.3	0	0	0	111.5	Y54 L82 L85 I99 K100 A104 L105 L125	Y54-L102 HydrophobicContact CD1-CD1 4.3Å; Y54-L102 WeakPolarHBondContact O-CD2 3.41Å; L82-L102 HydrophobicContact CB-CD2 4.29Å; L82-L102 HydrophobicContact CD2-CD1 4.07Å; L82-L102 HydrophobicContact CD2-CD2 4.21Å; L85-L102 HydrophobicContact CD2-CD1 4.14Å; I99-L102 HydrophobicContact CD1-CD1 4.31Å; I99-L102 PolarHBondContact O-N 2.98Å; I99-L102 VanDerWaalsContact O-N 3.07Å; K100-L102 PolarHBondContact O-N 3.36Å; L102-A104 PolarHBondContact O-N 3.32Å; L102-A104 VanDerWaalsContact O-N 3.17Å; L102-L105 HydrophobicContact CB-CD1 3.59Å; L102-L105 HydrophobicContact CB-CG 3.82Å; L102-L105 HydrophobicContact CD1-CD1 4Å; L102-L105 HydrophobicContact CG-CD1 4.47Å; L102-L105 WeakPolarHBondContact O-CB 3.1Å; L102-L105 WeakPolarHBondContact O-CG 3.43Å; L102-L105 PolarHBondContact O-N 3.45Å; L102-L125 WeakPolarHBondContact O-CD2 3.42Å
103	P	95.2	Very high	96.4	Very high	75 Å²	75	38.2 Å²	38.2	49%	0.487	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-20.8	-170.1	28.3	-37.2	0	0	0	114.4	L101 L105	L101-P103 VanDerWaalsContact O-CD 3.23Å; L101-P103 WeakPolarHBondContact O-CD 3.23Å; P103-L105 VanDerWaalsContact C-N 3.26Å; P103-L105 PolarHBondContact O-N 2.96Å
104	A	96.5	Very high	96.6	Very high	21 Å²	21	38.2 Å²	38.2	17%	0.174	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	2.2	179.7	0	0	0	0	0	113.9	D81 L82 T83 L102 T106	D81-A104 HydrophobicContact CB-CB 3.55Å; L82-A104 CarbonylContact O-C 3.5Å; T83-A104 WeakPolarHBondContact CA-O 3.25Å; L102-A104 PolarHBondContact O-N 3.32Å; L102-A104 VanDerWaalsContact O-N 3.17Å; A104-T106 PolarHBondContact O-N 3.35Å
105	L	97.9	Very high	96.7	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.174	C	C	.	.			trans	-62.3	123	-179.4	-79.4	174.4	0	0	0	111.1	L82 L85 I99 L102 P103 L125 E127 L128	L82-L105 HydrophobicContact CD2-CD2 4.38Å; L82-L105 HydrophobicContact CG-CD2 4.19Å; L82-L105 WeakPolarHBondContact O-CD2 3.41Å; L82-L105 PolarHBondContact O-N 3.12Å; L85-L105 HydrophobicContact CB-CD2 3.76Å; I99-L105 HydrophobicContact CD1-CD1 4.01Å; L102-L105 HydrophobicContact CB-CD1 3.59Å; L102-L105 HydrophobicContact CB-CG 3.82Å; L102-L105 HydrophobicContact CD1-CD1 4Å; L102-L105 HydrophobicContact CG-CD1 4.47Å; L102-L105 WeakPolarHBondContact O-CB 3.1Å; L102-L105 WeakPolarHBondContact O-CG 3.43Å; L102-L105 PolarHBondContact O-N 3.45Å; P103-L105 VanDerWaalsContact C-N 3.26Å; P103-L105 PolarHBondContact O-N 2.96Å; L105-L125 HydrophobicContact CB-CD1 4.4Å; L105-L125 HydrophobicContact CD1-CD1 4.11Å; L105-E127 CarbonylContact O-C 3.43Å; L105-E127 VanDerWaalsContact O-C 3.25Å; L105-L128 HydrophobicContact CB-CD1 4.11Å; L105-L128 WeakPolarHBondContact O-CA 3.2Å; L105-L128 WeakPolarHBondContact O-CD1 3.16Å; L105-L128 PolarHBondContact O-N 3.46Å; L105-L128 VanDerWaalsContact O-N 3.13Å
106	T	98.1	Very high	96.7	Very high	29 Å²	29	34.4 Å²	34.4	18%	0.178	19%	0.188	C	C	.	.	S	Bend	trans	-103.7	-28.7	174	64.1	0	0	0	0	112	T83 A104 Q129 Q130	T83-T106 PolarHBondContact O-N 3.41Å; T83-T106 PolarHBondContact O-OG1 3.39Å; A104-T106 PolarHBondContact O-N 3.35Å; T106-Q129 WeakPolarHBondContact O-CA 3.18Å; T106-Q129 PolarHBondContact O-N 2.8Å; T106-Q130 PolarHBondContact O-N 2.93Å
107	I	98.5	Very high	96.7	Very high	26 Å²	26	34.6 Å²	34.6	13%	0.133	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	121.7	178.8	-55.4	-175.5	0	0	0	109.2	T83 K84 L85 L86 Q130	T83-I107 PolarHBondContact O-N 2.9Å; T83-I107 VanDerWaalsContact O-N 3.1Å; K84-I107 WeakPolarHBondContact CA-O 3.04Å; K84-I107 HydrophobicContact CB-CB 4.31Å; K84-I107 HydrophobicContact CD-CD1 3.94Å; K84-I107 HydrophobicContact CD-CG1 4.5Å; K84-I107 HydrophobicContact CG-CB 4.06Å; K84-I107 HydrophobicContact CG-CD1 4.23Å; K84-I107 HydrophobicContact CG-CG1 4.25Å; L85-I107 PolarHBondContact N-O 2.89Å; L86-I107 HydrophobicContact CD2-CG2 4.39Å; I107-Q130 WeakPolarHBondContact CA-O 3.3Å; I107-Q130 HydrophobicContact CG1-CB 4.2Å; I107-Q130 HydrophobicContact CG1-CG 4.39Å; I107-Q130 HydrophobicContact CG2-CB 4.25Å
108	L	98.4	Very high	96.7	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	113.6	170.5	179.2	58.2	0	0	0	108.9	L85 L95 I99 L110 L122 L128 Q130 L131 R132	L85-L108 HydrophobicContact CB-CD1 4.08Å; L85-L108 HydrophobicContact CD2-CD1 4Å; L85-L108 HydrophobicContact CG-CD1 4.08Å; L95-L108 HydrophobicContact CD2-CD2 4.47Å; I99-L108 HydrophobicContact CD1-CD2 4.36Å; L108-L110 HydrophobicContact CD1-CD1 4.22Å; L108-L110 HydrophobicContact CD1-CG 4.11Å; L108-L110 HydrophobicContact CD2-CD1 3.87Å; L108-L110 HydrophobicContact CG-CD1 3.89Å; L108-L110 HydrophobicContact CG-CG 4.11Å; L108-L122 HydrophobicContact CD2-CD1 3.8Å; L108-L128 HydrophobicContact CB-CD1 3.91Å; L108-Q130 PolarHBondContact N-O 3.45Å; L108-L131 HydrophobicContact CB-CD1 4.14Å; L108-L131 HydrophobicContact CD2-CD1 3.96Å; L108-L131 HydrophobicContact CG-CD1 4.14Å; L108-R132 PolarHBondContact O-N 2.93Å
109	D	98.3	Very high	96.8	Very high	7 Å²	7	29.8 Å²	29.8	4%	0.037	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	108.3	179.6	-162.8	-20.1	0	0	0	111	L85 L86 L87 H111 R132	L85-D109 PolarHBondContact O-N 2.86Å; L86-D109 HydrophobicContact CB-CB 4.49Å; L86-D109 HydrophobicContact CD2-CB 3.63Å; L87-D109 CarbonylContact C-O 3.19Å; L87-D109 WeakPolarHBondContact CA-O 3.32Å; L87-D109 WeakPolarHBondContact CB-O 3.25Å; L87-D109 PolarHBondContact N-O 3.47Å; D109-H111 WeakPolarHBondContact OD1-CB 3.07Å; D109-H111 IonicContact OD1-CD2 2.77Å; D109-H111 PolarHBondContact OD1-CD2 3.22Å; D109-H111 IonicContact OD1-CG 2.76Å; D109-H111 PolarHBondContact OD1-N 2.96Å; D109-H111 VanDerWaalsContact OD1-N 3.09Å; D109-H111 IonicContact OD2-CD2 3.31Å; D109-R132 WeakPolarHBondContact OD2-CD 3.19Å; D109-R132 IonicContact OD2-CZ 2.83Å; D109-R132 IonicContact OD2-NH1 3.7Å; D109-R132 PolarHBondContact OD2-NH1 2.81Å
110	L	97.6	Very high	96.7	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	19%	0.186	C	C	.	.			trans	-118	20.6	179.3	-70.2	163.5	0	0	0	111	L87 L92 L95 L108 N113 L115 R132 L133 N136	L87-L110 HydrophobicContact CB-CD2 3.78Å; L87-L110 HydrophobicContact CD1-CD2 3.78Å; L87-L110 HydrophobicContact CG-CD2 4.46Å; L92-L110 HydrophobicContact CD1-CD2 3.85Å; L95-L110 HydrophobicContact CD1-CD2 4.42Å; L95-L110 HydrophobicContact CD2-CD1 4.15Å; L108-L110 HydrophobicContact CD1-CD1 4.22Å; L108-L110 HydrophobicContact CD1-CG 4.11Å; L108-L110 HydrophobicContact CD2-CD1 3.87Å; L108-L110 HydrophobicContact CG-CD1 3.89Å; L108-L110 HydrophobicContact CG-CG 4.11Å; L110-N113 PolarHBondContact O-ND2 3.2Å; L110-N113 VanDerWaalsContact O-ND2 3.1Å; L110-L115 HydrophobicContact CB-CD1 3.99Å; L110-L115 HydrophobicContact CD1-CD1 4.04Å; L110-L115 HydrophobicContact CD2-CD1 4.36Å; L110-L115 HydrophobicContact CG-CD1 4.37Å; L110-R132 CarbonylContact C-O 3.03Å; L110-R132 WeakPolarHBondContact CA-O 3.5Å; L110-R132 WeakPolarHBondContact CB-O 3.38Å; L110-R132 PolarHBondContact N-O 3.06Å; L110-L133 HydrophobicContact CB-CD2 3.94Å; L110-L133 HydrophobicContact CD1-CD2 3.8Å; L110-N136 PolarHBondContact O-ND2 3.36Å
111	H	96.4	Very high	96.8	Very high	57 Å²	57	28.5 Å²	28.5	26%	0.264	17%	0.169	S	C	.	.			trans	-58.6	149.1	-178.5	85.1	68	0	0	0	111.8	S88 S89 D109 N113 R132 S134	S88-H111 CarbonylContact C-O 3.49Å; S88-H111 WeakPolarHBondContact CA-O 3.44Å; S88-H111 WeakPolarHBondContact CB-CD2 3.35Å; S88-H111 WeakPolarHBondContact CB-CE1 3.45Å; S88-H111 WeakPolarHBondContact CB-ND1 3.43Å; S88-H111 WeakPolarHBondContact CB-NE2 3.31Å; S88-H111 VanDerWaalsContact CB-O 3.31Å; S88-H111 WeakPolarHBondContact CB-O 3.37Å; S88-H111 PolarHBondContact OG-CD2 3.32Å; S88-H111 PolarHBondContact OG-CE1 3.1Å; S88-H111 PolarHBondContact OG-NE2 3.06Å; S89-H111 PolarHBondContact N-O 3.18Å; D109-H111 WeakPolarHBondContact OD1-CB 3.07Å; D109-H111 IonicContact OD1-CD2 2.77Å; D109-H111 PolarHBondContact OD1-CD2 3.22Å; D109-H111 IonicContact OD1-CG 2.76Å; D109-H111 PolarHBondContact OD1-N 2.96Å; D109-H111 VanDerWaalsContact OD1-N 3.09Å; D109-H111 IonicContact OD2-CD2 3.31Å; H111-N113 PolarHBondContact O-ND2 3.11Å; H111-R132 PolarHBondContact N-O 3.12Å; H111-S134 CarbonylContact C-O 3.18Å; H111-S134 VanDerWaalsContact CA-O 3.32Å; H111-S134 WeakPolarHBondContact CA-O 3.38Å; H111-S134 WeakPolarHBondContact CB-OG 3.35Å
112	D	97.4	Very high	96.8	Very high	74 Å²	74	26.5 Å²	26.5	40%	0.396	16%	0.158	S	C	.	.	S	Bend	trans	56.2	65.9	173.8	-170.5	34.9	0	0	0	112.2	S89 N90 S134 H135	S89-D112 CarbonylContact C-O 3.58Å; S89-D112 WeakPolarHBondContact CA-O 3.48Å; S89-D112 WeakPolarHBondContact CA-OD2 3.28Å; S89-D112 WeakPolarHBondContact CB-OD2 3.38Å; S89-D112 PolarHBondContact N-O 3.36Å; S89-D112 VanDerWaalsContact N-O 3.15Å; S89-D112 PolarHBondContact OG-OD2 3.49Å; N90-D112 PolarHBondContact N-O 3.01Å; N90-D112 VanDerWaalsContact N-O 3.11Å; D112-S134 PolarHBondContact N-O 3.43Å; D112-H135 WeakPolarHBondContact CA-O 3.39Å; D112-H135 HydrophobicContact CB-CB 4.32Å
113	N	97.9	Very high	96.7	Very high	4 Å²	4	26.7 Å²	26.7	2%	0.021	16%	0.16	C	C	.	.	S	Bend	trans	-137.4	-166.4	178.9	-88.3	-73.9	0	0	0	109.6	L87 N90 Q91 L92 L110 H111 L115 H135 N136	L87-N113 PolarHBondContact O-ND2 3.01Å; N90-N113 VanDerWaalsContact CA-OD1 3.32Å; N90-N113 WeakPolarHBondContact CA-OD1 3.5Å; N90-N113 WeakPolarHBondContact CB-OD1 3.44Å; N90-N113 PolarHBondContact N-OD1 2.91Å; N90-N113 PolarHBondContact O-OD1 3.07Å; Q91-N113 PolarHBondContact N-OD1 3.47Å; L92-N113 HydrophobicContact CB-CB 4.28Å; L92-N113 VanDerWaalsContact CB-OD1 3.29Å; L92-N113 WeakPolarHBondContact CB-OD1 3.25Å; L92-N113 VanDerWaalsContact CG-OD1 3.28Å; L92-N113 WeakPolarHBondContact CG-OD1 3.21Å; L92-N113 PolarHBondContact N-OD1 3.44Å; L110-N113 PolarHBondContact O-ND2 3.2Å; L110-N113 VanDerWaalsContact O-ND2 3.1Å; H111-N113 PolarHBondContact O-ND2 3.11Å; N113-L115 HydrophobicContact CB-CG 4.31Å; N113-H135 PolarHBondContact N-O 3.1Å; N113-H135 VanDerWaalsContact O-O 3.1Å; N113-N136 WeakPolarHBondContact CA-OD1 3.46Å; N113-N136 WeakPolarHBondContact CB-OD1 3.18Å; N113-N136 PolarHBondContact O-OD1 3.49Å
114	Q	97.6	Very high	96.7	Very high	78 Å²	78	28.3 Å²	28.3	36%	0.364	16%	0.161	S	C	.	.			trans	-121.5	26	-178.2	-57.8	-64.9	-16.7	0	0	111.9	L92 T93 S116 N136	L92-Q114 CarbonylContact O-C 3.1Å; L92-Q114 VanDerWaalsContact O-CA 3.24Å; L92-Q114 WeakPolarHBondContact O-CA 3.38Å; L92-Q114 PolarHBondContact O-N 3.45Å; T93-Q114 HydrophobicContact CG2-CB 4.28Å; Q114-S116 PolarHBondContact O-N 3.28Å; Q114-N136 PolarHBondContact N-OD1 3.37Å
115	L	97.4	Very high	96.7	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.153	C	C	.	.			trans	-63.6	123.8	-173.6	-63.9	172.4	0	0	0	110.7	L92 T93 L110 N113 L118 L133 N136 K137 L138	L92-L115 HydrophobicContact CB-CD2 4.02Å; L92-L115 PolarHBondContact O-N 2.98Å; L92-L115 VanDerWaalsContact O-N 3.07Å; T93-L115 WeakPolarHBondContact O-CA 3.29Å; L110-L115 HydrophobicContact CB-CD1 3.99Å; L110-L115 HydrophobicContact CD1-CD1 4.04Å; L110-L115 HydrophobicContact CD2-CD1 4.36Å; L110-L115 HydrophobicContact CG-CD1 4.37Å; N113-L115 HydrophobicContact CB-CG 4.31Å; L115-L118 HydrophobicContact CD1-CD2 4.37Å; L115-L133 HydrophobicContact CD1-CD2 4.09Å; L115-N136 HydrophobicContact CB-CB 4.22Å; L115-N136 VanDerWaalsContact CB-OD1 3.26Å; L115-N136 WeakPolarHBondContact CB-OD1 3.08Å; L115-N136 WeakPolarHBondContact CG-OD1 3.17Å; L115-N136 PolarHBondContact N-OD1 3.42Å; L115-K137 CarbonylContact O-C 3.53Å; L115-K137 VanDerWaalsContact O-CA 3.25Å; L115-K137 WeakPolarHBondContact O-CA 3.21Å; L115-K137 PolarHBondContact O-N 2.89Å; L115-L138 HydrophobicContact CB-CD2 4.03Å; L115-L138 PolarHBondContact O-N 3.43Å; L115-L138 VanDerWaalsContact O-N 3.12Å
116	S	95.6	Very high	96.6	Very high	53 Å²	53	30.7 Å²	30.7	37%	0.371	17%	0.169	S	C	.	.			trans	-91.7	-25.7	175.4	59.9	0	0	0	0	113.4	T93 Q114	T93-S116 PolarHBondContact O-N 2.97Å; Q114-S116 PolarHBondContact O-N 3.28Å
117	S	95.1	Very high	96.6	Very high	48 Å²	48	33.9 Å²	33.9	34%	0.336	18%	0.182	S	C	.	.			trans	-153.4	165.8	-177.4	57.1	0	0	0	0	110.7
118	L	96.5	Very high	96.6	Very high	17 Å²	17	32.7 Å²	32.7	9%	0.089	18%	0.175	C	C	.	.			trans	-117.1	145.6	174.1	-62	170.8	0	0	0	110.2	L115 L122 L133 L138 L141 P142 V145	L115-L118 HydrophobicContact CD1-CD2 4.37Å; L118-L122 HydrophobicContact CB-CD2 4.23Å; L118-L122 HydrophobicContact CD1-CD2 3.97Å; L118-L122 HydrophobicContact CD2-CD2 4.31Å; L118-L122 HydrophobicContact CG-CD2 4.4Å; L118-L133 HydrophobicContact CD1-CD1 3.52Å; L118-L133 HydrophobicContact CD1-CD2 4.37Å; L118-L133 HydrophobicContact CD2-CD1 4.39Å; L118-L133 HydrophobicContact CD2-CD2 3.71Å; L118-L138 HydrophobicContact CD1-CD1 4.21Å; L118-L138 HydrophobicContact CD2-CD2 4.28Å; L118-L138 HydrophobicContact CG-CD1 4.39Å; L118-L138 HydrophobicContact CG-CD2 3.95Å; L118-L141 HydrophobicContact CD1-CD1 4.01Å; L118-P142 HydrophobicContact CB-CG 3.88Å; L118-V145 HydrophobicContact CD1-CG2 4.41Å
119	P	96.1	Very high	96.6	Very high	7 Å²	7	35.5 Å²	35.5	5%	0.045	19%	0.189	C	C	.	.			trans	-71.1	151.1	177.2	28.9	-34.9	0	0	0	111.6	L95 E97 I99 A121 L122	L95-P119 HydrophobicContact CB-CG 4.12Å; L95-P119 HydrophobicContact CD2-CG 3.94Å; L95-P119 HydrophobicContact CG-CG 4.15Å; E97-P119 VanDerWaalsContact CD-CB 3.43Å; E97-P119 HydrophobicContact CG-CB 4.2Å; E97-P119 VanDerWaalsContact OE1-CA 3.26Å; E97-P119 WeakPolarHBondContact OE1-CA 3.34Å; E97-P119 WeakPolarHBondContact OE1-CB 3.47Å; I99-P119 HydrophobicContact CG2-CG 4.1Å; P119-A121 VanDerWaalsContact C-N 3.27Å; P119-A121 PolarHBondContact O-N 3.15Å; P119-L122 VanDerWaalsContact O-CB 3.31Å; P119-L122 WeakPolarHBondContact O-CB 3.27Å; P119-L122 PolarHBondContact O-N 3.12Å
120	S	94.9	Very high	96.6	Very high	60 Å²	60	38 Å²	38	42%	0.42	20%	0.2	S	C	.	.	G	3₁₀ helix	trans	-64.2	-33.9	176.4	55.6	0	0	0	0	112.3	E97 L122 G123 E144	E97-S120 PolarHBondContact OE1-N 2.95Å; E97-S120 VanDerWaalsContact OE1-N 3.11Å; E97-S120 PolarHBondContact OE2-OG 3.15Å; S120-L122 PolarHBondContact O-N 3.46Å; S120-G123 PolarHBondContact O-N 3.29Å; S120-G123 VanDerWaalsContact O-N 3.09Å; S120-E144 WeakPolarHBondContact O-CB 3.47Å
121	A	95.8	Very high	96.6	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-55.2	-17.6	174.8	0	0	0	0	0	114.4	E97 I99 K100 P119 G123 E124	E97-A121 HydrophobicContact CB-CB 4.28Å; E97-A121 WeakPolarHBondContact O-CB 3.46Å; E97-A121 WeakPolarHBondContact OE2-CB 3.37Å; E97-A121 PolarHBondContact OE2-N 2.85Å; I99-A121 HydrophobicContact CG2-CB 3.99Å; K100-A121 HydrophobicContact CB-CB 4.07Å; K100-A121 HydrophobicContact CD-CB 4.22Å; K100-A121 HydrophobicContact CG-CB 4.46Å; P119-A121 VanDerWaalsContact C-N 3.27Å; P119-A121 PolarHBondContact O-N 3.15Å; A121-G123 PolarHBondContact O-N 3.04Å; A121-E124 WeakPolarHBondContact O-CB 3.47Å; A121-E124 PolarHBondContact O-N 3.43Å
122	L	96	Very high	96.7	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-60.5	-29.1	176.6	-169.8	59.3	0	0	0	112	I99 L108 L118 P119 S120 E124 L125 L131 V145 L148	I99-L122 HydrophobicContact CG1-CD1 4.5Å; L108-L122 HydrophobicContact CD2-CD1 3.8Å; L118-L122 HydrophobicContact CB-CD2 4.23Å; L118-L122 HydrophobicContact CD1-CD2 3.97Å; L118-L122 HydrophobicContact CD2-CD2 4.31Å; L118-L122 HydrophobicContact CG-CD2 4.4Å; P119-L122 VanDerWaalsContact O-CB 3.31Å; P119-L122 WeakPolarHBondContact O-CB 3.27Å; P119-L122 PolarHBondContact O-N 3.12Å; S120-L122 PolarHBondContact O-N 3.46Å; L122-E124 PolarHBondContact O-N 2.95Å; L122-L125 HydrophobicContact CD1-CD1 3.72Å; L122-L125 HydrophobicContact CD1-CG 4.49Å; L122-L125 PolarHBondContact O-N 3.24Å; L122-L131 HydrophobicContact CD2-CD2 4Å; L122-V145 HydrophobicContact CB-CG2 4.35Å; L122-V145 HydrophobicContact CD2-CG2 3.67Å; L122-V145 HydrophobicContact CG-CG2 4.1Å; L122-L148 WeakPolarHBondContact O-CD2 3.37Å
123	G	93.9	Very high	96.7	Very high	5 Å²	5	36 Å²	36	5%	0.052	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-68.2	-15.6	174.3	0	0	0	0	0	114.7	S120 A121 L125 Q126 E144 S147	S120-G123 PolarHBondContact O-N 3.29Å; S120-G123 VanDerWaalsContact O-N 3.09Å; A121-G123 PolarHBondContact O-N 3.04Å; G123-L125 VanDerWaalsContact C-N 3.26Å; G123-L125 PolarHBondContact O-N 3.29Å; G123-Q126 PolarHBondContact O-NE2 2.96Å; G123-E144 WeakPolarHBondContact CA-O 3.47Å; G123-S147 PolarHBondContact O-OG 3.44Å
124	E	95.4	Very high	96.7	Very high	108 Å²	108	36.3 Å²	36.3	51%	0.505	19%	0.187	S	C	.	.	G	3₁₀ helix	trans	-77.1	-12.6	178.4	-61	-178.4	-143.2	0	0	112.7	K100 A121 L122 Q126	K100-E124 HydrophobicContact CB-CB 4.23Å; K100-E124 WeakPolarHBondContact CB-OE2 3.4Å; A121-E124 WeakPolarHBondContact O-CB 3.47Å; A121-E124 PolarHBondContact O-N 3.43Å; L122-E124 PolarHBondContact O-N 2.95Å; E124-Q126 VanDerWaalsContact C-N 3.28Å; E124-Q126 PolarHBondContact O-N 3.27Å
125	L	96.5	Very high	96.7	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.191	C	C	.	.			trans	-79.9	65.5	-177.5	-56.9	-172.4	0	0	0	112.8	I99 L102 L105 L122 G123 E127 L128 L148	I99-L125 HydrophobicContact CG1-CD1 3.93Å; L102-L125 WeakPolarHBondContact O-CD2 3.42Å; L105-L125 HydrophobicContact CB-CD1 4.4Å; L105-L125 HydrophobicContact CD1-CD1 4.11Å; L122-L125 HydrophobicContact CD1-CD1 3.72Å; L122-L125 HydrophobicContact CD1-CG 4.49Å; L122-L125 PolarHBondContact O-N 3.24Å; G123-L125 VanDerWaalsContact C-N 3.26Å; G123-L125 PolarHBondContact O-N 3.29Å; L125-E127 PolarHBondContact O-N 3.18Å; L125-L128 HydrophobicContact CB-CB 4.1Å; L125-L128 HydrophobicContact CD1-CD2 4.46Å; L125-L128 WeakPolarHBondContact O-CB 3.45Å; L125-L128 PolarHBondContact O-N 2.84Å; L125-L148 HydrophobicContact CB-CD2 4.26Å; L125-L148 VanDerWaalsContact O-CD2 3.25Å; L125-L148 WeakPolarHBondContact O-CD2 3.26Å
126	Q	95.9	Very high	96.8	Very high	72 Å²	72	37.7 Å²	37.7	34%	0.336	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-18.1	-171.3	-65.8	-64.4	-54.6	0	0	114.8	G123 E124 S147 N149 N150	G123-Q126 PolarHBondContact O-NE2 2.96Å; E124-Q126 VanDerWaalsContact C-N 3.28Å; E124-Q126 PolarHBondContact O-N 3.27Å; Q126-S147 PolarHBondContact NE2-O 2.76Å; Q126-S147 VanDerWaalsContact NE2-O 3.13Å; Q126-S147 PolarHBondContact OE1-O 3.06Å; Q126-N149 PolarHBondContact OE1-ND2 3.37Å; Q126-N150 WeakPolarHBondContact O-CB 3.43Å; Q126-N150 PolarHBondContact O-ND2 2.8Å
127	E	97.4	Very high	96.9	Very high	96 Å²	96	40.3 Å²	40.3	45%	0.449	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-2.9	175	-64.9	-57.2	138.2	0	0	113.9	L105 L125 Q129	L105-E127 CarbonylContact O-C 3.43Å; L105-E127 VanDerWaalsContact O-C 3.25Å; L125-E127 PolarHBondContact O-N 3.18Å; E127-Q129 WeakPolarHBondContact O-CG 3.39Å; E127-Q129 PolarHBondContact O-N 2.87Å
128	L	98.3	Very high	97	Very high	0 Å²	0	38 Å²	38	0%	0	18%	0.182	C	C	.	.			trans	-67.9	123.6	-174	-160.7	72	0	0	0	111.3	L105 L108 L125 L131 L148 N150 L151	L105-L128 HydrophobicContact CB-CD1 4.11Å; L105-L128 WeakPolarHBondContact O-CA 3.2Å; L105-L128 WeakPolarHBondContact O-CD1 3.16Å; L105-L128 PolarHBondContact O-N 3.46Å; L105-L128 VanDerWaalsContact O-N 3.13Å; L108-L128 HydrophobicContact CB-CD1 3.91Å; L125-L128 HydrophobicContact CB-CB 4.1Å; L125-L128 HydrophobicContact CD1-CD2 4.46Å; L125-L128 WeakPolarHBondContact O-CB 3.45Å; L125-L128 PolarHBondContact O-N 2.84Å; L128-L131 HydrophobicContact CD2-CB 3.94Å; L128-L131 HydrophobicContact CD2-CD1 4.26Å; L128-L131 HydrophobicContact CD2-CD2 4.36Å; L128-L131 HydrophobicContact CD2-CG 4.41Å; L128-L148 HydrophobicContact CD2-CD1 3.94Å; L128-N150 CarbonylContact O-C 3.24Å; L128-L151 HydrophobicContact CD2-CD1 4.24Å; L128-L151 HydrophobicContact CG-CD1 4.21Å; L128-L151 VanDerWaalsContact O-CA 3.26Å; L128-L151 WeakPolarHBondContact O-CA 3.46Å; L128-L151 PolarHBondContact O-N 2.8Å; L128-L151 VanDerWaalsContact O-N 3.15Å
129	Q	98.3	Very high	96.9	Very high	60 Å²	60	40.5 Å²	40.5	28%	0.28	20%	0.201	S	C	.	.			trans	-109.4	-30.5	-179.4	-61.4	-178.5	13.2	0	0	112.3	T106 E127 R152 S153	T106-Q129 WeakPolarHBondContact O-CA 3.18Å; T106-Q129 PolarHBondContact O-N 2.8Å; E127-Q129 WeakPolarHBondContact O-CG 3.39Å; E127-Q129 PolarHBondContact O-N 2.87Å; Q129-R152 WeakPolarHBondContact O-CA 3.46Å; Q129-R152 PolarHBondContact O-N 3.05Å; Q129-S153 PolarHBondContact O-N 3.41Å; Q129-S153 VanDerWaalsContact O-N 3.08Å
130	Q	98.4	Very high	96.9	Very high	58 Å²	58	43 Å²	43	27%	0.271	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	122.2	179.3	-57.7	-174.3	22.3	0	0	110.5	T106 I107 L108 S153	T106-Q130 PolarHBondContact O-N 2.93Å; I107-Q130 WeakPolarHBondContact CA-O 3.3Å; I107-Q130 HydrophobicContact CG1-CB 4.2Å; I107-Q130 HydrophobicContact CG1-CG 4.39Å; I107-Q130 HydrophobicContact CG2-CB 4.25Å; L108-Q130 PolarHBondContact N-O 3.45Å; Q130-S153 WeakPolarHBondContact CA-O 3.48Å
131	L	98.3	Very high	96.9	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	111	174.9	178.5	56	0	0	0	109.1	L108 L122 L128 L133 V145 L151 S153 L154 T155	L108-L131 HydrophobicContact CB-CD1 4.14Å; L108-L131 HydrophobicContact CD2-CD1 3.96Å; L108-L131 HydrophobicContact CG-CD1 4.14Å; L122-L131 HydrophobicContact CD2-CD2 4Å; L128-L131 HydrophobicContact CD2-CB 3.94Å; L128-L131 HydrophobicContact CD2-CD1 4.26Å; L128-L131 HydrophobicContact CD2-CD2 4.36Å; L128-L131 HydrophobicContact CD2-CG 4.41Å; L131-L133 HydrophobicContact CD1-CD1 3.98Å; L131-L133 HydrophobicContact CD1-CD2 4.39Å; L131-L133 HydrophobicContact CD1-CG 3.94Å; L131-L133 HydrophobicContact CD2-CD1 3.77Å; L131-L133 HydrophobicContact CG-CD1 3.67Å; L131-L133 HydrophobicContact CG-CG 3.99Å; L131-V145 HydrophobicContact CD2-CG1 4.16Å; L131-L151 HydrophobicContact CB-CD1 3.88Å; L131-S153 PolarHBondContact N-O 2.73Å; L131-L154 HydrophobicContact CB-CD1 4.07Å; L131-L154 HydrophobicContact CD2-CD1 3.9Å; L131-L154 HydrophobicContact CG-CD1 4Å; L131-T155 PolarHBondContact O-N 2.9Å; L131-T155 VanDerWaalsContact O-N 3.13Å
132	R	98.3	Very high	96.9	Very high	90 Å²	90	41.8 Å²	41.8	34%	0.34	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	117	179.1	-60.6	178.8	-176.6	156.2	1.6	111	L108 D109 L110 H111 T155	L108-R132 PolarHBondContact O-N 2.93Å; D109-R132 WeakPolarHBondContact OD2-CD 3.19Å; D109-R132 IonicContact OD2-CZ 2.83Å; D109-R132 IonicContact OD2-NH1 3.7Å; D109-R132 PolarHBondContact OD2-NH1 2.81Å; L110-R132 CarbonylContact C-O 3.03Å; L110-R132 WeakPolarHBondContact CA-O 3.5Å; L110-R132 WeakPolarHBondContact CB-O 3.38Å; L110-R132 PolarHBondContact N-O 3.06Å; H111-R132 PolarHBondContact N-O 3.12Å; R132-T155 VanDerWaalsContact CA-OG1 3.31Å; R132-T155 WeakPolarHBondContact CA-OG1 3.35Å
133	L	97.9	Very high	96.8	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.228	C	C	.	.			trans	-130.2	16.6	-174.3	-72.6	166.6	0	0	0	112.1	L110 L115 L118 L131 N136 L138 T155 L156 N159	L110-L133 HydrophobicContact CB-CD2 3.94Å; L110-L133 HydrophobicContact CD1-CD2 3.8Å; L115-L133 HydrophobicContact CD1-CD2 4.09Å; L118-L133 HydrophobicContact CD1-CD1 3.52Å; L118-L133 HydrophobicContact CD1-CD2 4.37Å; L118-L133 HydrophobicContact CD2-CD1 4.39Å; L118-L133 HydrophobicContact CD2-CD2 3.71Å; L131-L133 HydrophobicContact CD1-CD1 3.98Å; L131-L133 HydrophobicContact CD1-CD2 4.39Å; L131-L133 HydrophobicContact CD1-CG 3.94Å; L131-L133 HydrophobicContact CD2-CD1 3.77Å; L131-L133 HydrophobicContact CG-CD1 3.67Å; L131-L133 HydrophobicContact CG-CG 3.99Å; L133-N136 PolarHBondContact O-ND2 3.41Å; L133-N136 VanDerWaalsContact O-ND2 3.08Å; L133-L138 HydrophobicContact CB-CD1 4.11Å; L133-L138 HydrophobicContact CD1-CD1 4.24Å; L133-L138 HydrophobicContact CD2-CD1 4.37Å; L133-T155 CarbonylContact C-O 3.54Å; L133-T155 WeakPolarHBondContact CA-O 3.42Å; L133-T155 PolarHBondContact N-O 3.28Å; L133-L156 HydrophobicContact CB-CD2 3.79Å; L133-L156 HydrophobicContact CD1-CD2 3.75Å; L133-L156 HydrophobicContact CG-CD2 4.46Å; L133-N159 PolarHBondContact O-ND2 3.11Å
134	S	97.6	Very high	96.9	Very high	11 Å²	11	48.5 Å²	48.5	8%	0.077	24%	0.243	C	C	.	.			trans	-66.2	154.1	-177.1	59.8	0	0	0	0	112.5	H111 D112 N136 T155 Q157	H111-S134 CarbonylContact C-O 3.18Å; H111-S134 VanDerWaalsContact CA-O 3.32Å; H111-S134 WeakPolarHBondContact CA-O 3.38Å; H111-S134 WeakPolarHBondContact CB-OG 3.35Å; D112-S134 PolarHBondContact N-O 3.43Å; S134-N136 PolarHBondContact O-ND2 3.1Å; S134-T155 PolarHBondContact N-O 3.06Å; S134-Q157 CarbonylContact C-O 3.05Å; S134-Q157 WeakPolarHBondContact CA-O 3.49Å; S134-Q157 WeakPolarHBondContact CB-O 3.49Å
135	H	97.8	Very high	96.9	Very high	95 Å²	95	43.3 Å²	43.3	44%	0.44	22%	0.219	S	C	.	.	S	Bend	trans	54.5	60.8	-178.6	-64.8	-94.5	0	0	0	112.3	D112 N113 Q157 Q158	D112-H135 WeakPolarHBondContact CA-O 3.39Å; D112-H135 HydrophobicContact CB-CB 4.32Å; N113-H135 PolarHBondContact N-O 3.1Å; N113-H135 VanDerWaalsContact O-O 3.1Å; H135-Q157 PolarHBondContact N-O 3.05Å; H135-Q158 VanDerWaalsContact CA-O 3.29Å; H135-Q158 WeakPolarHBondContact CA-O 3.25Å; H135-Q158 PolarHBondContact N-O 3.3Å
136	N	98.3	Very high	96.8	Very high	11 Å²	11	43.3 Å²	43.3	6%	0.059	22%	0.219	C	C	.	.	S	Bend	trans	-132.8	-168	175.3	-85.2	-77.1	0	0	0	109.6	L110 N113 Q114 L115 L133 S134 L138 Q158 N159	L110-N136 PolarHBondContact O-ND2 3.36Å; N113-N136 WeakPolarHBondContact CA-OD1 3.46Å; N113-N136 WeakPolarHBondContact CB-OD1 3.18Å; N113-N136 PolarHBondContact O-OD1 3.49Å; Q114-N136 PolarHBondContact N-OD1 3.37Å; L115-N136 HydrophobicContact CB-CB 4.22Å; L115-N136 VanDerWaalsContact CB-OD1 3.26Å; L115-N136 WeakPolarHBondContact CB-OD1 3.08Å; L115-N136 WeakPolarHBondContact CG-OD1 3.17Å; L115-N136 PolarHBondContact N-OD1 3.42Å; L133-N136 PolarHBondContact O-ND2 3.41Å; L133-N136 VanDerWaalsContact O-ND2 3.08Å; S134-N136 PolarHBondContact O-ND2 3.1Å; N136-L138 HydrophobicContact CB-CG 4.27Å; N136-Q158 PolarHBondContact N-O 3.19Å; N136-Q158 VanDerWaalsContact N-O 3.13Å; N136-N159 WeakPolarHBondContact CA-OD1 3.39Å; N136-N159 WeakPolarHBondContact CB-OD1 3.1Å; N136-N159 PolarHBondContact O-OD1 3.22Å
137	K	97.8	Very high	96.7	Very high	108 Å²	108	41.9 Å²	41.9	47%	0.47	22%	0.217	S	C	.	.			trans	-119.3	28.8	-179.5	-69.4	176	169.7	159.3	0	112	L115 S139 N159 L160	L115-K137 CarbonylContact O-C 3.53Å; L115-K137 VanDerWaalsContact O-CA 3.25Å; L115-K137 WeakPolarHBondContact O-CA 3.21Å; L115-K137 PolarHBondContact O-N 2.89Å; K137-S139 PolarHBondContact O-N 2.79Å; K137-N159 PolarHBondContact N-OD1 3.05Å; K137-L160 HydrophobicContact CB-CD1 4.29Å
138	L	97.6	Very high	96.7	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.196	C	C	.	.			trans	-65.7	123	-176	-62.1	174.1	0	0	0	110.2	L115 L118 L133 N136 L156 N159 L160 L161	L115-L138 HydrophobicContact CB-CD2 4.03Å; L115-L138 PolarHBondContact O-N 3.43Å; L115-L138 VanDerWaalsContact O-N 3.12Å; L118-L138 HydrophobicContact CD1-CD1 4.21Å; L118-L138 HydrophobicContact CD2-CD2 4.28Å; L118-L138 HydrophobicContact CG-CD1 4.39Å; L118-L138 HydrophobicContact CG-CD2 3.95Å; L133-L138 HydrophobicContact CB-CD1 4.11Å; L133-L138 HydrophobicContact CD1-CD1 4.24Å; L133-L138 HydrophobicContact CD2-CD1 4.37Å; N136-L138 HydrophobicContact CB-CG 4.27Å; L138-L156 HydrophobicContact CD1-CD2 3.95Å; L138-N159 HydrophobicContact CB-CB 4.28Å; L138-N159 VanDerWaalsContact CB-OD1 3.31Å; L138-N159 WeakPolarHBondContact CB-OD1 3.28Å; L138-N159 WeakPolarHBondContact CG-OD1 3.49Å; L138-N159 PolarHBondContact N-OD1 3.31Å; L138-L160 CarbonylContact O-C 3.25Å; L138-L160 VanDerWaalsContact O-CA 3.27Å; L138-L160 WeakPolarHBondContact O-CA 3.12Å; L138-L160 WeakPolarHBondContact O-CB 3.26Å; L138-L160 PolarHBondContact O-N 2.74Å; L138-L161 HydrophobicContact CB-CD2 4.1Å; L138-L161 PolarHBondContact O-N 3.43Å
139	S	95.4	Very high	96.4	Very high	69 Å²	69	41.3 Å²	41.3	48%	0.483	22%	0.217	S	C	.	.	S	Bend	trans	-89.5	-24.5	175.3	56.3	0	0	0	0	113.3	K137	K137-S139 PolarHBondContact O-N 2.79Å
140	S	94.8	Very high	96.3	Very high	59 Å²	59	41.1 Å²	41.1	41%	0.413	22%	0.218	S	C	.	.			trans	-149.5	159	178.5	56.5	0	0	0	0	111.1	L161	S140-L161 VanDerWaalsContact C-CD2 3.48Å
141	L	95.5	Very high	96.3	Very high	12 Å²	12	38.4 Å²	38.4	6%	0.063	21%	0.206	C	C	.	.			trans	-102.9	125.4	169.3	-169.3	73.3	0	0	0	108.4	L118 V145 L154 L156 P165 I168	L118-L141 HydrophobicContact CD1-CD1 4.01Å; L141-V145 HydrophobicContact CD1-CB 4.25Å; L141-V145 HydrophobicContact CD1-CG1 4.06Å; L141-V145 HydrophobicContact CD1-CG2 4.31Å; L141-V145 HydrophobicContact CD2-CB 4.49Å; L141-V145 HydrophobicContact CD2-CG1 4.19Å; L141-V145 HydrophobicContact CG-CB 4.22Å; L141-V145 HydrophobicContact CG-CG1 4.28Å; L141-L154 HydrophobicContact CD2-CD2 4.48Å; L141-L156 HydrophobicContact CD1-CD1 4.21Å; L141-L156 HydrophobicContact CD1-CD2 4.21Å; L141-L156 HydrophobicContact CD2-CD1 4.31Å; L141-P165 HydrophobicContact CB-CG 4.41Å; L141-P165 HydrophobicContact CD2-CG 4.27Å; L141-I168 HydrophobicContact CD2-CD1 4.2Å
142	P	94.6	Very high	96.3	Very high	24 Å²	24	44.9 Å²	44.9	16%	0.156	23%	0.23	C	C	.	.			trans	-66.3	145.1	175.9	28.8	-33.9	0	0	0	110.5	L118 E144 V145	L118-P142 HydrophobicContact CB-CG 3.88Å; P142-E144 WeakPolarHBondContact CB-OE2 3.36Å; P142-E144 PolarHBondContact O-N 2.92Å; P142-V145 HydrophobicContact CG-CG2 3.81Å; P142-V145 PolarHBondContact O-N 3.25Å; P142-V145 VanDerWaalsContact O-N 3.17Å
143	T	94.8	Very high	96.3	Very high	65 Å²	65	41.2 Å²	41.2	40%	0.399	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-60.9	-28.8	-178.2	39.3	0	0	0	0	112.3	V145 C146 P165 E167	T143-V145 PolarHBondContact O-N 3.09Å; T143-C146 VanDerWaalsContact O-CB 3.26Å; T143-C146 WeakPolarHBondContact O-CB 3.46Å; T143-C146 PolarHBondContact O-N 2.94Å; T143-P165 HydrophobicContact CG2-CB 3.98Å; T143-E167 HydrophobicContact CG2-CG 4.47Å; T143-E167 WeakPolarHBondContact CG2-OE2 3.33Å
144	E	95.8	Very high	96.3	Very high	80 Å²	80	41.2 Å²	41.2	37%	0.374	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-63	-28.5	179.4	-64.6	73	-160.3	0	0	112.4	S120 G123 P142 C146 S147	S120-E144 WeakPolarHBondContact O-CB 3.47Å; G123-E144 WeakPolarHBondContact CA-O 3.47Å; P142-E144 WeakPolarHBondContact CB-OE2 3.36Å; P142-E144 PolarHBondContact O-N 2.92Å; E144-C146 PolarHBondContact O-N 3.35Å; E144-S147 WeakPolarHBondContact O-CB 3.39Å; E144-S147 PolarHBondContact O-N 2.84Å; E144-S147 PolarHBondContact O-OG 3.19Å
145	V	95.5	Very high	96.3	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-63.5	-26.8	174.4	168.8	0	0	0	0	111.5	L118 L122 L131 L141 P142 T143 S147 L148	L118-V145 HydrophobicContact CD1-CG2 4.41Å; L122-V145 HydrophobicContact CB-CG2 4.35Å; L122-V145 HydrophobicContact CD2-CG2 3.67Å; L122-V145 HydrophobicContact CG-CG2 4.1Å; L131-V145 HydrophobicContact CD2-CG1 4.16Å; L141-V145 HydrophobicContact CD1-CB 4.25Å; L141-V145 HydrophobicContact CD1-CG1 4.06Å; L141-V145 HydrophobicContact CD1-CG2 4.31Å; L141-V145 HydrophobicContact CD2-CB 4.49Å; L141-V145 HydrophobicContact CD2-CG1 4.19Å; L141-V145 HydrophobicContact CG-CB 4.22Å; L141-V145 HydrophobicContact CG-CG1 4.28Å; P142-V145 HydrophobicContact CG-CG2 3.81Å; P142-V145 PolarHBondContact O-N 3.25Å; P142-V145 VanDerWaalsContact O-N 3.17Å; T143-V145 PolarHBondContact O-N 3.09Å; V145-S147 PolarHBondContact O-N 3.14Å; V145-L148 HydrophobicContact CG1-CD1 4.2Å; V145-L148 WeakPolarHBondContact O-CB 3.36Å; V145-L148 VanDerWaalsContact O-CG 3.28Å; V145-L148 WeakPolarHBondContact O-CG 3.45Å; V145-L148 PolarHBondContact O-N 2.83Å
146	C	94.6	Very high	96.3	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-73.9	-11.1	177.4	-57.3	0	0	0	0	113.3	T143 E144 L148 E167 I168 L171	T143-C146 VanDerWaalsContact O-CB 3.26Å; T143-C146 WeakPolarHBondContact O-CB 3.46Å; T143-C146 PolarHBondContact O-N 2.94Å; E144-C146 PolarHBondContact O-N 3.35Å; C146-L148 VanDerWaalsContact C-N 3.26Å; C146-L148 PolarHBondContact O-N 3.09Å; C146-E167 HydrophobicContact CB-CB 3.61Å; C146-E167 VanDerWaalsContact CB-O 3.31Å; C146-E167 WeakPolarHBondContact CB-O 3.34Å; C146-I168 VanDerWaalsContact SG-CA 3.59Å; C146-I168 PolarHBondContact SG-N 3.28Å; C146-I168 VanDerWaalsContact SG-N 3.45Å; C146-L171 VanDerWaalsContact O-CD2 3.27Å; C146-L171 WeakPolarHBondContact O-CD2 3.27Å
147	S	94.7	Very high	96.2	Very high	41 Å²	41	38.4 Å²	38.4	29%	0.287	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	-81.9	-0.2	174.8	73.3	0	0	0	0	114.1	G123 Q126 E144 V145 N149	G123-S147 PolarHBondContact O-OG 3.44Å; Q126-S147 PolarHBondContact NE2-O 2.76Å; Q126-S147 VanDerWaalsContact NE2-O 3.13Å; Q126-S147 PolarHBondContact OE1-O 3.06Å; E144-S147 WeakPolarHBondContact O-CB 3.39Å; E144-S147 PolarHBondContact O-N 2.84Å; E144-S147 PolarHBondContact O-OG 3.19Å; V145-S147 PolarHBondContact O-N 3.14Å; S147-N149 PolarHBondContact O-N 3.38Å; S147-N149 PolarHBondContact O-ND2 3.07Å
148	L	96.2	Very high	96.2	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.005	20%	0.2	C	C	.	.			trans	-78.6	78.4	-178.6	-63.8	178.7	0	0	0	111.9	L122 L125 L128 V145 C146 N150 L151 L171	L122-L148 WeakPolarHBondContact O-CD2 3.37Å; L125-L148 HydrophobicContact CB-CD2 4.26Å; L125-L148 VanDerWaalsContact O-CD2 3.25Å; L125-L148 WeakPolarHBondContact O-CD2 3.26Å; L128-L148 HydrophobicContact CD2-CD1 3.94Å; V145-L148 HydrophobicContact CG1-CD1 4.2Å; V145-L148 WeakPolarHBondContact O-CB 3.36Å; V145-L148 VanDerWaalsContact O-CG 3.28Å; V145-L148 WeakPolarHBondContact O-CG 3.45Å; V145-L148 PolarHBondContact O-N 2.83Å; C146-L148 VanDerWaalsContact C-N 3.26Å; C146-L148 PolarHBondContact O-N 3.09Å; L148-N150 PolarHBondContact O-N 3.17Å; L148-N150 VanDerWaalsContact O-N 3.13Å; L148-L151 HydrophobicContact CB-CB 4Å; L148-L151 HydrophobicContact CB-CD2 4.47Å; L148-L151 HydrophobicContact CD1-CD2 4.4Å; L148-L151 VanDerWaalsContact O-CB 3.22Å; L148-L151 WeakPolarHBondContact O-CB 3.48Å; L148-L151 PolarHBondContact O-N 2.97Å; L148-L171 HydrophobicContact CB-CD2 4.21Å; L148-L171 VanDerWaalsContact O-CD2 3.28Å; L148-L171 WeakPolarHBondContact O-CD2 3.23Å
149	N	92.3	Very high	96.2	Very high	84 Å²	84	37.4 Å²	37.4	45%	0.449	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-26.9	-171.7	-65.1	-58.9	0	0	0	114.9	Q126 S147 N173	Q126-N149 PolarHBondContact OE1-ND2 3.37Å; S147-N149 PolarHBondContact O-N 3.38Å; S147-N149 PolarHBondContact O-ND2 3.07Å; N149-N173 WeakPolarHBondContact O-CB 3.49Å; N149-N173 PolarHBondContact O-ND2 3.03Å
150	N	96.8	Very high	96.4	Very high	56 Å²	56	38.2 Å²	38.2	30%	0.299	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	0.8	179.2	-74.6	-50.2	0	0	0	114	Q126 L128 L148 R152	Q126-N150 WeakPolarHBondContact O-CB 3.43Å; Q126-N150 PolarHBondContact O-ND2 2.8Å; L128-N150 CarbonylContact O-C 3.24Å; L148-N150 PolarHBondContact O-N 3.17Å; L148-N150 VanDerWaalsContact O-N 3.13Å; N150-R152 PolarHBondContact O-N 3.45Å
151	L	97.9	Very high	96.5	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.005	18%	0.181	C	C	.	.			trans	-67.5	125.9	-176	-162.3	70	0	0	0	110.9	L128 L131 L148 L154 L171 N173 L174	L128-L151 HydrophobicContact CD2-CD1 4.24Å; L128-L151 HydrophobicContact CG-CD1 4.21Å; L128-L151 VanDerWaalsContact O-CA 3.26Å; L128-L151 WeakPolarHBondContact O-CA 3.46Å; L128-L151 PolarHBondContact O-N 2.8Å; L128-L151 VanDerWaalsContact O-N 3.15Å; L131-L151 HydrophobicContact CB-CD1 3.88Å; L148-L151 HydrophobicContact CB-CB 4Å; L148-L151 HydrophobicContact CB-CD2 4.47Å; L148-L151 HydrophobicContact CD1-CD2 4.4Å; L148-L151 VanDerWaalsContact O-CB 3.22Å; L148-L151 WeakPolarHBondContact O-CB 3.48Å; L148-L151 PolarHBondContact O-N 2.97Å; L151-L154 HydrophobicContact CD2-CB 4Å; L151-L154 HydrophobicContact CD2-CD1 4.4Å; L151-L154 HydrophobicContact CD2-CD2 4.34Å; L151-L154 HydrophobicContact CD2-CG 4.48Å; L151-L171 HydrophobicContact CB-CD2 4.37Å; L151-L171 HydrophobicContact CD2-CD1 4.26Å; L151-L171 HydrophobicContact CD2-CD2 4.47Å; L151-N173 CarbonylContact O-C 3.6Å; L151-N173 VanDerWaalsContact O-C 3.24Å; L151-L174 HydrophobicContact CB-CD1 4.46Å; L151-L174 HydrophobicContact CD2-CD1 4.16Å; L151-L174 HydrophobicContact CG-CD1 4.06Å; L151-L174 WeakPolarHBondContact O-CA 3.26Å; L151-L174 PolarHBondContact O-N 3.48Å
152	R	97.8	Very high	96.5	Very high	136 Å²	136	39.2 Å²	39.2	51%	0.513	20%	0.198	S	C	.	.			trans	-111.1	-28.4	-178.4	-64.1	-178.5	-178	-172.3	0.4	113.1	Q129 N150 T175 E176	Q129-R152 WeakPolarHBondContact O-CA 3.46Å; Q129-R152 PolarHBondContact O-N 3.05Å; N150-R152 PolarHBondContact O-N 3.45Å; R152-T175 WeakPolarHBondContact O-CA 3.33Å; R152-T175 PolarHBondContact O-N 3.3Å; R152-T175 PolarHBondContact O-OG1 2.99Å; R152-E176 PolarHBondContact O-N 3.29Å; R152-E176 VanDerWaalsContact O-N 3.09Å
153	S	98	Very high	96.5	Very high	13 Å²	13	42.4 Å²	42.4	9%	0.091	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	123.9	-180	-177	0	0	0	0	110.1	Q129 Q130 L131 E176	Q129-S153 PolarHBondContact O-N 3.41Å; Q129-S153 VanDerWaalsContact O-N 3.08Å; Q130-S153 WeakPolarHBondContact CA-O 3.48Å; L131-S153 PolarHBondContact N-O 2.73Å; S153-E176 WeakPolarHBondContact CA-O 3.31Å
154	L	97.9	Very high	96.6	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	112.2	175.8	178.3	57.2	0	0	0	109	L131 L141 L151 L156 I168 L171 L174 E176 L177 D178	L131-L154 HydrophobicContact CB-CD1 4.07Å; L131-L154 HydrophobicContact CD2-CD1 3.9Å; L131-L154 HydrophobicContact CG-CD1 4Å; L141-L154 HydrophobicContact CD2-CD2 4.48Å; L151-L154 HydrophobicContact CD2-CB 4Å; L151-L154 HydrophobicContact CD2-CD1 4.4Å; L151-L154 HydrophobicContact CD2-CD2 4.34Å; L151-L154 HydrophobicContact CD2-CG 4.48Å; L154-L156 HydrophobicContact CD1-CD1 4.06Å; L154-L156 HydrophobicContact CD1-CG 4.04Å; L154-L156 HydrophobicContact CD2-CD1 3.86Å; L154-L156 HydrophobicContact CG-CD1 3.81Å; L154-L156 HydrophobicContact CG-CG 4.13Å; L154-I168 HydrophobicContact CD2-CD1 4.18Å; L154-L171 HydrophobicContact CD2-CD1 4.42Å; L154-L174 HydrophobicContact CB-CD1 3.92Å; L154-E176 PolarHBondContact N-O 2.98Å; L154-L177 HydrophobicContact CB-CD1 4.21Å; L154-L177 HydrophobicContact CD2-CD1 4.05Å; L154-L177 HydrophobicContact CG-CD1 4.17Å; L154-D178 PolarHBondContact O-N 2.67Å
155	T	97.8	Very high	96.6	Very high	16 Å²	16	37 Å²	37	10%	0.098	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	111.6	-178.1	71.2	0	0	0	0	110.1	L131 R132 L133 S134 Q157	L131-T155 PolarHBondContact O-N 2.9Å; L131-T155 VanDerWaalsContact O-N 3.13Å; R132-T155 VanDerWaalsContact CA-OG1 3.31Å; R132-T155 WeakPolarHBondContact CA-OG1 3.35Å; L133-T155 CarbonylContact C-O 3.54Å; L133-T155 WeakPolarHBondContact CA-O 3.42Å; L133-T155 PolarHBondContact N-O 3.28Å; S134-T155 PolarHBondContact N-O 3.06Å; T155-Q157 VanDerWaalsContact CB-OE1 3.28Å
156	L	97.6	Very high	96.6	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.005	21%	0.212	C	C	.	.			trans	-121.3	15.2	-173.9	-75.2	163	0	0	0	112.1	L133 L138 L141 L154 N159 L161 D178 L179 N182	L133-L156 HydrophobicContact CB-CD2 3.79Å; L133-L156 HydrophobicContact CD1-CD2 3.75Å; L133-L156 HydrophobicContact CG-CD2 4.46Å; L138-L156 HydrophobicContact CD1-CD2 3.95Å; L141-L156 HydrophobicContact CD1-CD1 4.21Å; L141-L156 HydrophobicContact CD1-CD2 4.21Å; L141-L156 HydrophobicContact CD2-CD1 4.31Å; L154-L156 HydrophobicContact CD1-CD1 4.06Å; L154-L156 HydrophobicContact CD1-CG 4.04Å; L154-L156 HydrophobicContact CD2-CD1 3.86Å; L154-L156 HydrophobicContact CG-CD1 3.81Å; L154-L156 HydrophobicContact CG-CG 4.13Å; L156-N159 PolarHBondContact O-ND2 2.9Å; L156-L161 HydrophobicContact CB-CD1 4.11Å; L156-L161 HydrophobicContact CD1-CD1 4.15Å; L156-L161 HydrophobicContact CD2-CD1 4.36Å; L156-L161 HydrophobicContact CG-CD1 4.46Å; L156-D178 CarbonylContact C-O 3.34Å; L156-D178 WeakPolarHBondContact CA-O 3.47Å; L156-D178 WeakPolarHBondContact CB-O 3.46Å; L156-D178 PolarHBondContact N-O 2.72Å; L156-L179 HydrophobicContact CB-CD2 4.07Å; L156-L179 HydrophobicContact CD1-CD2 3.78Å; L156-N182 PolarHBondContact O-ND2 3.06Å
157	Q	97.1	Very high	96.7	Very high	40 Å²	40	45.3 Å²	45.3	19%	0.187	23%	0.229	C	C	.	.			trans	-64.7	150.9	-176.1	72.4	-80.7	19.2	0	0	113.3	S134 H135 T155 D178 S180	S134-Q157 CarbonylContact C-O 3.05Å; S134-Q157 WeakPolarHBondContact CA-O 3.49Å; S134-Q157 WeakPolarHBondContact CB-O 3.49Å; H135-Q157 PolarHBondContact N-O 3.05Å; T155-Q157 VanDerWaalsContact CB-OE1 3.28Å; Q157-D178 PolarHBondContact N-O 3.31Å; Q157-S180 CarbonylContact C-O 3.06Å; Q157-S180 WeakPolarHBondContact CA-O 3.41Å; Q157-S180 WeakPolarHBondContact CB-O 3.39Å; Q157-S180 WeakPolarHBondContact CB-OG 3.49Å
158	Q	97.8	Very high	96.7	Very high	81 Å²	81	43.4 Å²	43.4	38%	0.379	22%	0.216	S	C	.	.	S	Bend	trans	59	58	-179.1	-62.2	-76.7	-5.4	0	0	111.2	H135 N136 S180 N181	H135-Q158 VanDerWaalsContact CA-O 3.29Å; H135-Q158 WeakPolarHBondContact CA-O 3.25Å; H135-Q158 PolarHBondContact N-O 3.3Å; N136-Q158 PolarHBondContact N-O 3.19Å; N136-Q158 VanDerWaalsContact N-O 3.13Å; Q158-S180 PolarHBondContact N-O 3.3Å; Q158-N181 VanDerWaalsContact CA-O 3.27Å; Q158-N181 WeakPolarHBondContact CA-O 3.43Å; Q158-N181 HydrophobicContact CG-CB 3.86Å; Q158-N181 PolarHBondContact N-O 2.84Å; Q158-N181 PolarHBondContact NE2-OD1 3.26Å
159	N	98.4	Very high	96.6	Very high	7 Å²	7	43.8 Å²	43.8	4%	0.037	22%	0.219	C	C	.	.	S	Bend	trans	-129.5	-169.7	172.7	-85.6	-76.2	0	0	0	109.4	L133 N136 K137 L138 L156 L161 N181 N182	L133-N159 PolarHBondContact O-ND2 3.11Å; N136-N159 WeakPolarHBondContact CA-OD1 3.39Å; N136-N159 WeakPolarHBondContact CB-OD1 3.1Å; N136-N159 PolarHBondContact O-OD1 3.22Å; K137-N159 PolarHBondContact N-OD1 3.05Å; L138-N159 HydrophobicContact CB-CB 4.28Å; L138-N159 VanDerWaalsContact CB-OD1 3.31Å; L138-N159 WeakPolarHBondContact CB-OD1 3.28Å; L138-N159 WeakPolarHBondContact CG-OD1 3.49Å; L138-N159 PolarHBondContact N-OD1 3.31Å; L156-N159 PolarHBondContact O-ND2 2.9Å; N159-L161 HydrophobicContact CB-CG 4.28Å; N159-N181 PolarHBondContact N-O 2.85Å; N159-N182 WeakPolarHBondContact CA-OD1 3.48Å; N159-N182 WeakPolarHBondContact CB-OD1 3.4Å; N159-N182 PolarHBondContact O-OD1 2.79Å
160	L	97.9	Very high	96.7	Very high	85 Å²	85	45.2 Å²	45.2	45%	0.445	22%	0.224	S	C	.	.			trans	-116.1	26.6	-177.7	-58.2	174.6	0	0	0	111.8	K137 L138 E162 N182 L183	K137-L160 HydrophobicContact CB-CD1 4.29Å; L138-L160 CarbonylContact O-C 3.25Å; L138-L160 VanDerWaalsContact O-CA 3.27Å; L138-L160 WeakPolarHBondContact O-CA 3.12Å; L138-L160 WeakPolarHBondContact O-CB 3.26Å; L138-L160 PolarHBondContact O-N 2.74Å; L160-E162 PolarHBondContact O-N 3.01Å; L160-N182 PolarHBondContact N-OD1 3.31Å; L160-L183 HydrophobicContact CB-CD1 4.41Å; L160-L183 HydrophobicContact CD2-CD1 4.32Å
161	L	97.5	Very high	96.7	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.005	21%	0.209	C	C	.	.			trans	-65.4	123.8	-175.3	-60.8	174.4	0	0	0	110.7	L138 S140 L156 N159 L179 N182 L183 L184	L138-L161 HydrophobicContact CB-CD2 4.1Å; L138-L161 PolarHBondContact O-N 3.43Å; S140-L161 VanDerWaalsContact C-CD2 3.48Å; L156-L161 HydrophobicContact CB-CD1 4.11Å; L156-L161 HydrophobicContact CD1-CD1 4.15Å; L156-L161 HydrophobicContact CD2-CD1 4.36Å; L156-L161 HydrophobicContact CG-CD1 4.46Å; N159-L161 HydrophobicContact CB-CG 4.28Å; L161-L179 HydrophobicContact CD1-CD2 4.18Å; L161-N182 HydrophobicContact CB-CB 4.23Å; L161-N182 WeakPolarHBondContact CB-OD1 3.42Å; L161-N182 WeakPolarHBondContact CG-OD1 3.38Å; L161-N182 PolarHBondContact N-OD1 2.98Å; L161-L183 CarbonylContact O-C 3.2Å; L161-L183 VanDerWaalsContact O-CA 3.26Å; L161-L183 WeakPolarHBondContact O-CA 3.19Å; L161-L183 WeakPolarHBondContact O-CB 3.29Å; L161-L183 PolarHBondContact O-N 3.28Å; L161-L184 HydrophobicContact CB-CD2 4Å; L161-L184 PolarHBondContact O-N 2.96Å; L161-L184 VanDerWaalsContact O-N 3.15Å
162	E	95.6	Very high	96.4	Very high	92 Å²	92	44 Å²	44	43%	0.43	22%	0.224	S	C	.	.	S	Bend	trans	-91.3	-28.1	172.8	-71.1	-160.4	-151.2	0	0	113.2	L160 L183 L184 K185	L160-E162 PolarHBondContact O-N 3.01Å; E162-L183 HydrophobicContact CG-CB 4.18Å; E162-L184 WeakPolarHBondContact O-CA 3.21Å; E162-K185 PolarHBondContact O-N 3.34Å; E162-K185 IonicContact OE2-NZ 2.93Å; E162-K185 PolarHBondContact OE2-NZ 2.8Å
163	T	95.2	Very high	96.3	Very high	91 Å²	91	41.4 Å²	41.4	56%	0.558	22%	0.22	S	C	*	.			trans	-143	161.7	180	59.3	0	0	0	0	110.8
164	V	96.1	Very high	96.3	Very high	12 Å²	12	40.8 Å²	40.8	7%	0.073	22%	0.216	C	C	.	.			trans	-118.4	136.9	168.5	-179.4	0	0	0	0	107	I168 L179 L184 P188	V164-I168 HydrophobicContact CG1-CB 3.74Å; V164-I168 HydrophobicContact CG1-CD1 4.13Å; V164-I168 HydrophobicContact CG1-CG1 3.84Å; V164-I168 HydrophobicContact CG1-CG2 3.87Å; V164-L179 HydrophobicContact CG2-CD1 4Å; V164-L179 HydrophobicContact CG2-CD2 4.05Å; V164-L184 HydrophobicContact CG2-CD1 4.11Å; V164-L184 HydrophobicContact CG2-CD2 3.81Å; V164-P188 HydrophobicContact CB-CG 4.28Å; V164-P188 HydrophobicContact CG1-CG 4.41Å
165	P	95.6	Very high	96.2	Very high	20 Å²	20	43 Å²	43	13%	0.13	23%	0.23	C	C	.	.			trans	-58	147.6	178	22.1	-33.7	0	0	0	112.5	L141 T143 E167 I168	L141-P165 HydrophobicContact CB-CG 4.41Å; L141-P165 HydrophobicContact CD2-CG 4.27Å; T143-P165 HydrophobicContact CG2-CB 3.98Å; P165-E167 VanDerWaalsContact CB-OE2 3.28Å; P165-E167 WeakPolarHBondContact CB-OE2 3.38Å; P165-E167 PolarHBondContact O-N 2.72Å; P165-I168 WeakPolarHBondContact O-CB 3.5Å; P165-I168 VanDerWaalsContact O-CG2 3.24Å; P165-I168 WeakPolarHBondContact O-CG2 3.33Å; P165-I168 PolarHBondContact O-N 3.11Å; P165-I168 VanDerWaalsContact O-N 3.14Å
166	E	95.1	Very high	96.1	Very high	98 Å²	98	45 Å²	45	46%	0.458	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	-64.5	-23.1	175.3	-79.9	-73.4	164.6	0	0	111.3	I168 P188 S189 S190	E166-I168 PolarHBondContact O-N 3.41Å; E166-I168 VanDerWaalsContact O-N 3.16Å; E166-P188 HydrophobicContact CB-CB 4.46Å; E166-P188 HydrophobicContact CG-CB 3.96Å; E166-P188 VanDerWaalsContact OE1-CA 3.29Å; E166-P188 WeakPolarHBondContact OE1-CA 3.1Å; E166-P188 WeakPolarHBondContact OE1-CB 3.26Å; E166-P188 WeakPolarHBondContact OE2-CB 3.46Å; E166-S189 PolarHBondContact OE1-N 3.32Å; E166-S189 PolarHBondContact OE2-N 2.75Å; E166-S189 PolarHBondContact OE2-OG 3.41Å; E166-S190 WeakPolarHBondContact O-CB 3.47Å; E166-S190 PolarHBondContact O-OG 2.83Å; E166-S190 WeakPolarHBondContact OE2-CB 3.23Å; E166-S190 PolarHBondContact OE2-N 2.88Å; E166-S190 PolarHBondContact OE2-OG 3.14Å
167	E	96.6	Very high	96.1	Very high	76 Å²	76	45 Å²	45	36%	0.355	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	-67.8	-12.8	177	-62.6	73.1	-164.1	0	0	112	T143 C146 P165 G169 E170	T143-E167 HydrophobicContact CG2-CG 4.47Å; T143-E167 WeakPolarHBondContact CG2-OE2 3.33Å; C146-E167 HydrophobicContact CB-CB 3.61Å; C146-E167 VanDerWaalsContact CB-O 3.31Å; C146-E167 WeakPolarHBondContact CB-O 3.34Å; P165-E167 VanDerWaalsContact CB-OE2 3.28Å; P165-E167 WeakPolarHBondContact CB-OE2 3.38Å; P165-E167 PolarHBondContact O-N 2.72Å; E167-G169 PolarHBondContact O-N 3.06Å; E167-E170 VanDerWaalsContact O-CB 3.25Å; E167-E170 WeakPolarHBondContact O-CB 3.13Å; E167-E170 WeakPolarHBondContact O-CG 3.35Å; E167-E170 PolarHBondContact O-N 3.11Å
168	I	96	Very high	96.1	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.005	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-54.2	-30.3	178.9	-164.5	71.6	0	0	0	112.6	L141 C146 L154 V164 P165 E166 E170 L171 P188 V191 L194	L141-I168 HydrophobicContact CD2-CD1 4.2Å; C146-I168 VanDerWaalsContact SG-CA 3.59Å; C146-I168 PolarHBondContact SG-N 3.28Å; C146-I168 VanDerWaalsContact SG-N 3.45Å; L154-I168 HydrophobicContact CD2-CD1 4.18Å; V164-I168 HydrophobicContact CG1-CB 3.74Å; V164-I168 HydrophobicContact CG1-CD1 4.13Å; V164-I168 HydrophobicContact CG1-CG1 3.84Å; V164-I168 HydrophobicContact CG1-CG2 3.87Å; P165-I168 WeakPolarHBondContact O-CB 3.5Å; P165-I168 VanDerWaalsContact O-CG2 3.24Å; P165-I168 WeakPolarHBondContact O-CG2 3.33Å; P165-I168 PolarHBondContact O-N 3.11Å; P165-I168 VanDerWaalsContact O-N 3.14Å; E166-I168 PolarHBondContact O-N 3.41Å; E166-I168 VanDerWaalsContact O-N 3.16Å; I168-E170 PolarHBondContact O-N 3.26Å; I168-L171 HydrophobicContact CD1-CD1 3.61Å; I168-L171 HydrophobicContact CG1-CD1 4.41Å; I168-L171 PolarHBondContact O-N 3.22Å; I168-P188 HydrophobicContact CG2-CG 3.72Å; I168-V191 HydrophobicContact CG2-CG2 3.82Å; I168-L194 VanDerWaalsContact O-CD2 3.27Å; I168-L194 WeakPolarHBondContact O-CD2 3.42Å
169	G	93.6	Very high	96.1	Very high	8 Å²	8	40.3 Å²	40.3	8%	0.082	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-66.7	-9.6	176.3	0	0	0	0	0	115.1	E167 L171 S190 R193	E167-G169 PolarHBondContact O-N 3.06Å; G169-L171 VanDerWaalsContact C-N 3.32Å; G169-S190 VanDerWaalsContact CA-O 3.28Å; G169-S190 WeakPolarHBondContact CA-O 3.12Å; G169-R193 WeakPolarHBondContact O-CB 3.48Å
170	E	95	Very high	96.1	Very high	115 Å²	115	40.4 Å²	40.4	54%	0.537	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-78.4	-16.3	176.3	-61.4	-175.7	167.8	0	0	112.7	E167 I168 G172	E167-E170 VanDerWaalsContact O-CB 3.25Å; E167-E170 WeakPolarHBondContact O-CB 3.13Å; E167-E170 WeakPolarHBondContact O-CG 3.35Å; E167-E170 PolarHBondContact O-N 3.11Å; I168-E170 PolarHBondContact O-N 3.26Å; E170-G172 PolarHBondContact O-N 2.89Å
171	L	95.8	Very high	96.1	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.207	C	C	.	.			trans	-74.1	65.5	178.2	-61.5	175.3	0	0	0	112.1	C146 L148 L151 L154 I168 G169 N173 L174 L194	C146-L171 VanDerWaalsContact O-CD2 3.27Å; C146-L171 WeakPolarHBondContact O-CD2 3.27Å; L148-L171 HydrophobicContact CB-CD2 4.21Å; L148-L171 VanDerWaalsContact O-CD2 3.28Å; L148-L171 WeakPolarHBondContact O-CD2 3.23Å; L151-L171 HydrophobicContact CB-CD2 4.37Å; L151-L171 HydrophobicContact CD2-CD1 4.26Å; L151-L171 HydrophobicContact CD2-CD2 4.47Å; L154-L171 HydrophobicContact CD2-CD1 4.42Å; I168-L171 HydrophobicContact CD1-CD1 3.61Å; I168-L171 HydrophobicContact CG1-CD1 4.41Å; I168-L171 PolarHBondContact O-N 3.22Å; G169-L171 VanDerWaalsContact C-N 3.32Å; L171-N173 PolarHBondContact O-N 3.4Å; L171-N173 VanDerWaalsContact O-N 3.09Å; L171-L174 HydrophobicContact CB-CB 4.04Å; L171-L174 HydrophobicContact CB-CD2 4.44Å; L171-L174 HydrophobicContact CD1-CD2 4.17Å; L171-L174 VanDerWaalsContact O-CB 3.26Å; L171-L174 WeakPolarHBondContact O-CB 3.34Å; L171-L174 PolarHBondContact O-N 3.06Å; L171-L194 HydrophobicContact CB-CD2 3.93Å; L171-L194 VanDerWaalsContact O-CD2 3.26Å; L171-L194 WeakPolarHBondContact O-CD2 3.45Å
172	G	92.6	Very high	96.1	Very high	30 Å²	30	38.6 Å²	38.6	31%	0.309	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-23.2	-171.5	0	0	0	0	0	115.5	E170 A196	E170-G172 PolarHBondContact O-N 2.89Å; G172-A196 VanDerWaalsContact O-CB 3.24Å; G172-A196 WeakPolarHBondContact O-CB 3.29Å
173	N	95.9	Very high	96.2	Very high	82 Å²	82	36.8 Å²	36.8	44%	0.439	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.6	1.1	179.2	-71.9	-35.6	0	0	0	114	N149 L151 L171 T175	N149-N173 WeakPolarHBondContact O-CB 3.49Å; N149-N173 PolarHBondContact O-ND2 3.03Å; L151-N173 CarbonylContact O-C 3.6Å; L151-N173 VanDerWaalsContact O-C 3.24Å; L171-N173 PolarHBondContact O-N 3.4Å; L171-N173 VanDerWaalsContact O-N 3.09Å; N173-T175 PolarHBondContact O-N 3.45Å
174	L	97.3	Very high	96.3	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.175	C	C	.	.			trans	-69.2	124	-176.1	-162.2	71.3	0	0	0	110.7	L151 L154 L171 L177 L194 A196 L197	L151-L174 HydrophobicContact CB-CD1 4.46Å; L151-L174 HydrophobicContact CD2-CD1 4.16Å; L151-L174 HydrophobicContact CG-CD1 4.06Å; L151-L174 WeakPolarHBondContact O-CA 3.26Å; L151-L174 PolarHBondContact O-N 3.48Å; L154-L174 HydrophobicContact CB-CD1 3.92Å; L171-L174 HydrophobicContact CB-CB 4.04Å; L171-L174 HydrophobicContact CB-CD2 4.44Å; L171-L174 HydrophobicContact CD1-CD2 4.17Å; L171-L174 VanDerWaalsContact O-CB 3.26Å; L171-L174 WeakPolarHBondContact O-CB 3.34Å; L171-L174 PolarHBondContact O-N 3.06Å; L174-L177 HydrophobicContact CD2-CB 3.95Å; L174-L177 HydrophobicContact CD2-CD1 4.24Å; L174-L177 HydrophobicContact CD2-CD2 4.37Å; L174-L177 HydrophobicContact CD2-CG 4.41Å; L174-L194 HydrophobicContact CB-CD2 4.28Å; L174-L194 HydrophobicContact CD2-CD1 4.37Å; L174-L194 HydrophobicContact CD2-CD2 4.36Å; L174-A196 CarbonylContact O-C 3.24Å; L174-L197 HydrophobicContact CB-CD1 4.43Å; L174-L197 HydrophobicContact CD2-CD1 4.2Å; L174-L197 HydrophobicContact CG-CD1 4.12Å; L174-L197 VanDerWaalsContact O-CA 3.24Å; L174-L197 WeakPolarHBondContact O-CA 3.44Å; L174-L197 PolarHBondContact O-N 3.36Å; L174-L197 VanDerWaalsContact O-N 3.1Å
175	T	95.9	Very high	96.3	Very high	47 Å²	47	36.5 Å²	36.5	29%	0.288	19%	0.192	S	C	.	.			trans	-107.2	-27.6	-178.4	64	0	0	0	0	113	R152 N173 A196 R198 K199	R152-T175 WeakPolarHBondContact O-CA 3.33Å; R152-T175 PolarHBondContact O-N 3.3Å; R152-T175 PolarHBondContact O-OG1 2.99Å; N173-T175 PolarHBondContact O-N 3.45Å; T175-A196 HydrophobicContact CG2-CB 4.49Å; T175-R198 PolarHBondContact O-N 2.81Å; T175-K199 PolarHBondContact O-N 2.84Å
176	E	96	Very high	96.2	Very high	57 Å²	57	40.8 Å²	40.8	27%	0.266	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	126.7	178.2	-178	169.4	-150.4	0	0	110.4	R152 S153 L154 K199	R152-E176 PolarHBondContact O-N 3.29Å; R152-E176 VanDerWaalsContact O-N 3.09Å; S153-E176 WeakPolarHBondContact CA-O 3.31Å; L154-E176 PolarHBondContact N-O 2.98Å; E176-K199 HydrophobicContact CG-CD 4.39Å; E176-K199 IonicContact OE1-NZ 2.96Å; E176-K199 PolarHBondContact OE1-NZ 2.79Å
177	L	97.3	Very high	96.3	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.005	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	115	174.6	178.4	58.4	0	0	0	109.1	L154 L174 L179 L194 L197 K199 I200 S201	L154-L177 HydrophobicContact CB-CD1 4.21Å; L154-L177 HydrophobicContact CD2-CD1 4.05Å; L154-L177 HydrophobicContact CG-CD1 4.17Å; L174-L177 HydrophobicContact CD2-CB 3.95Å; L174-L177 HydrophobicContact CD2-CD1 4.24Å; L174-L177 HydrophobicContact CD2-CD2 4.37Å; L174-L177 HydrophobicContact CD2-CG 4.41Å; L177-L179 HydrophobicContact CD1-CD1 4.24Å; L177-L179 HydrophobicContact CD1-CD2 4.32Å; L177-L179 HydrophobicContact CD1-CG 3.95Å; L177-L179 HydrophobicContact CD2-CD1 3.93Å; L177-L179 HydrophobicContact CD2-CG 4.48Å; L177-L179 HydrophobicContact CG-CD1 4.03Å; L177-L179 HydrophobicContact CG-CG 4.05Å; L177-L194 HydrophobicContact CD2-CD1 4.05Å; L177-L197 HydrophobicContact CB-CD1 3.85Å; L177-L197 HydrophobicContact CB-CD2 4.46Å; L177-K199 PolarHBondContact N-O 2.97Å; L177-K199 VanDerWaalsContact N-O 3.1Å; L177-I200 HydrophobicContact CD2-CD1 4.5Å; L177-I200 WeakPolarHBondContact O-CA 3.27Å; L177-S201 PolarHBondContact O-N 3.17Å; L177-S201 VanDerWaalsContact O-N 3.1Å
178	D	97.4	Very high	96.2	Very high	22 Å²	22	33.6 Å²	33.6	12%	0.118	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	110.2	174.9	-164	-20.9	0	0	0	110.2	L154 L156 Q157 S180 S201	L154-D178 PolarHBondContact O-N 2.67Å; L156-D178 CarbonylContact C-O 3.34Å; L156-D178 WeakPolarHBondContact CA-O 3.47Å; L156-D178 WeakPolarHBondContact CB-O 3.46Å; L156-D178 PolarHBondContact N-O 2.72Å; Q157-D178 PolarHBondContact N-O 3.31Å; D178-S180 VanDerWaalsContact OD1-CB 3.26Å; D178-S180 WeakPolarHBondContact OD1-CB 3.35Å; D178-S180 PolarHBondContact OD1-N 3.19Å; D178-S180 PolarHBondContact OD1-OG 2.84Å; D178-S201 WeakPolarHBondContact OD1-CB 3.36Å
179	L	97.4	Very high	96	Very high	2 Å²	2	37 Å²	37	1%	0.01	20%	0.201	C	C	.	.			trans	-113.9	15.8	177.2	-68.6	167	0	0	0	111.4	L156 L161 V164 L177 N182 L184 L187 S201 L202 N205	L156-L179 HydrophobicContact CB-CD2 4.07Å; L156-L179 HydrophobicContact CD1-CD2 3.78Å; L161-L179 HydrophobicContact CD1-CD2 4.18Å; V164-L179 HydrophobicContact CG2-CD1 4Å; V164-L179 HydrophobicContact CG2-CD2 4.05Å; L177-L179 HydrophobicContact CD1-CD1 4.24Å; L177-L179 HydrophobicContact CD1-CD2 4.32Å; L177-L179 HydrophobicContact CD1-CG 3.95Å; L177-L179 HydrophobicContact CD2-CD1 3.93Å; L177-L179 HydrophobicContact CD2-CG 4.48Å; L177-L179 HydrophobicContact CG-CD1 4.03Å; L177-L179 HydrophobicContact CG-CG 4.05Å; L179-N182 PolarHBondContact O-ND2 2.88Å; L179-N182 VanDerWaalsContact O-ND2 3.08Å; L179-L184 HydrophobicContact CB-CD1 3.96Å; L179-L184 HydrophobicContact CD1-CD1 4.16Å; L179-L184 HydrophobicContact CG-CD1 4.45Å; L179-L187 HydrophobicContact CD1-CD2 4.19Å; L179-S201 CarbonylContact C-O 3.43Å; L179-S201 PolarHBondContact N-O 2.76Å; L179-L202 HydrophobicContact CB-CD2 4.13Å; L179-L202 HydrophobicContact CD1-CD2 4.01Å; L179-N205 PolarHBondContact O-ND2 3.24Å
180	S	97.6	Very high	96	Very high	8 Å²	8	36.7 Å²	36.7	6%	0.056	20%	0.198	C	C	.	.			trans	-64.8	155.7	-175.7	60.8	0	0	0	0	113.2	Q157 Q158 D178 N182 S201 C203	Q157-S180 CarbonylContact C-O 3.06Å; Q157-S180 WeakPolarHBondContact CA-O 3.41Å; Q157-S180 WeakPolarHBondContact CB-O 3.39Å; Q157-S180 WeakPolarHBondContact CB-OG 3.49Å; Q158-S180 PolarHBondContact N-O 3.3Å; D178-S180 VanDerWaalsContact OD1-CB 3.26Å; D178-S180 WeakPolarHBondContact OD1-CB 3.35Å; D178-S180 PolarHBondContact OD1-N 3.19Å; D178-S180 PolarHBondContact OD1-OG 2.84Å; S180-N182 PolarHBondContact O-ND2 3.05Å; S180-S201 PolarHBondContact N-O 3.4Å; S180-C203 CarbonylContact C-O 3.11Å; S180-C203 WeakPolarHBondContact CA-O 3.34Å; S180-C203 WeakPolarHBondContact CB-O 3.23Å; S180-C203 WeakPolarHBondContact CB-SG 3.14Å
181	N	97.9	Very high	96	Very high	42 Å²	42	31.2 Å²	31.2	23%	0.225	17%	0.172	C	C	.	.	S	Bend	trans	54.6	57.1	178.6	-59.5	-88.7	0	0	0	112.2	Q158 N159 C203 H204	Q158-N181 VanDerWaalsContact CA-O 3.27Å; Q158-N181 WeakPolarHBondContact CA-O 3.43Å; Q158-N181 HydrophobicContact CG-CB 3.86Å; Q158-N181 PolarHBondContact N-O 2.84Å; Q158-N181 PolarHBondContact NE2-OD1 3.26Å; N159-N181 PolarHBondContact N-O 2.85Å; N181-C203 PolarHBondContact N-O 3.05Å; N181-H204 WeakPolarHBondContact CA-O 3.4Å; N181-H204 HydrophobicContact CB-CB 4.33Å; N181-H204 PolarHBondContact N-O 3.32Å; N181-H204 VanDerWaalsContact OD1-CB 3.3Å; N181-H204 WeakPolarHBondContact OD1-CB 3.24Å; N181-H204 PolarHBondContact OD1-ND1 3.31Å
182	N	98.4	Very high	95.8	Very high	7 Å²	7	31.4 Å²	31.4	4%	0.037	17%	0.174	C	C	.	.	S	Bend	trans	-129.4	-169.5	174.4	-85.1	-76.9	0	0	0	109.4	L156 N159 L160 L161 L179 S180 L184 H204 N205	L156-N182 PolarHBondContact O-ND2 3.06Å; N159-N182 WeakPolarHBondContact CA-OD1 3.48Å; N159-N182 WeakPolarHBondContact CB-OD1 3.4Å; N159-N182 PolarHBondContact O-OD1 2.79Å; L160-N182 PolarHBondContact N-OD1 3.31Å; L161-N182 HydrophobicContact CB-CB 4.23Å; L161-N182 WeakPolarHBondContact CB-OD1 3.42Å; L161-N182 WeakPolarHBondContact CG-OD1 3.38Å; L161-N182 PolarHBondContact N-OD1 2.98Å; L179-N182 PolarHBondContact O-ND2 2.88Å; L179-N182 VanDerWaalsContact O-ND2 3.08Å; S180-N182 PolarHBondContact O-ND2 3.05Å; N182-L184 HydrophobicContact CB-CG 4.15Å; N182-H204 PolarHBondContact N-O 3.02Å; N182-N205 VanDerWaalsContact CA-OD1 3.32Å; N182-N205 WeakPolarHBondContact CA-OD1 3.33Å; N182-N205 WeakPolarHBondContact CB-OD1 3.25Å; N182-N205 PolarHBondContact N-OD1 2.86Å; N182-N205 PolarHBondContact O-OD1 2.97Å
183	L	97.7	Very high	95.9	Very high	53 Å²	53	37.8 Å²	37.8	28%	0.277	19%	0.189	S	C	.	.			trans	-112	22.2	-178.7	-56.9	177.1	0	0	0	112.1	L160 L161 E162 K185 N205	L160-L183 HydrophobicContact CB-CD1 4.41Å; L160-L183 HydrophobicContact CD2-CD1 4.32Å; L161-L183 CarbonylContact O-C 3.2Å; L161-L183 VanDerWaalsContact O-CA 3.26Å; L161-L183 WeakPolarHBondContact O-CA 3.19Å; L161-L183 WeakPolarHBondContact O-CB 3.29Å; L161-L183 PolarHBondContact O-N 3.28Å; E162-L183 HydrophobicContact CG-CB 4.18Å; L183-K185 PolarHBondContact O-N 3.08Å; L183-N205 PolarHBondContact N-OD1 3.25Å
184	L	97.6	Very high	95.9	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.168	C	C	.	.			trans	-61.6	124.3	-172.2	-61.7	176.9	0	0	0	111.2	L161 E162 V164 L179 N182 L187 N205 K206 L207	L161-L184 HydrophobicContact CB-CD2 4Å; L161-L184 PolarHBondContact O-N 2.96Å; L161-L184 VanDerWaalsContact O-N 3.15Å; E162-L184 WeakPolarHBondContact O-CA 3.21Å; V164-L184 HydrophobicContact CG2-CD1 4.11Å; V164-L184 HydrophobicContact CG2-CD2 3.81Å; L179-L184 HydrophobicContact CB-CD1 3.96Å; L179-L184 HydrophobicContact CD1-CD1 4.16Å; L179-L184 HydrophobicContact CG-CD1 4.45Å; N182-L184 HydrophobicContact CB-CG 4.15Å; L184-L187 HydrophobicContact CD1-CD2 4.36Å; L184-N205 HydrophobicContact CB-CB 4.26Å; L184-N205 VanDerWaalsContact CB-OD1 3.3Å; L184-N205 WeakPolarHBondContact CB-OD1 3.25Å; L184-N205 WeakPolarHBondContact CG-OD1 3.3Å; L184-N205 PolarHBondContact N-OD1 3.06Å; L184-K206 CarbonylContact O-C 3.35Å; L184-K206 WeakPolarHBondContact O-CA 3.25Å; L184-K206 WeakPolarHBondContact O-CB 3.29Å; L184-K206 PolarHBondContact O-N 3.17Å; L184-L207 HydrophobicContact CB-CD2 4.01Å; L184-L207 PolarHBondContact O-N 2.84Å; L184-L207 VanDerWaalsContact O-N 3.1Å
185	K	95.6	Very high	95.6	Very high	98 Å²	98	37.5 Å²	37.5	43%	0.426	19%	0.193	S	C	.	.	S	Bend	trans	-91.5	-33.4	176.9	-65.3	170.7	-175.5	145.1	0	112.4	E162 L183 K206 L207 S208	E162-K185 PolarHBondContact O-N 3.34Å; E162-K185 IonicContact OE2-NZ 2.93Å; E162-K185 PolarHBondContact OE2-NZ 2.8Å; L183-K185 PolarHBondContact O-N 3.08Å; K185-K206 HydrophobicContact CG-CB 4.49Å; K185-L207 WeakPolarHBondContact O-CA 3.32Å; K185-S208 PolarHBondContact O-N 3.25Å
186	H	94.4	Very high	95.5	Very high	110 Å²	110	36.6 Å²	36.6	51%	0.509	19%	0.19	S	C	.	.			trans	-143.6	160.6	178	-56	-68.5	0	0	0	109.9	S208	H186-S208 PolarHBondContact CE1-OG 3.39Å; H186-S208 VanDerWaalsContact CE1-OG 3.28Å
187	L	95.6	Very high	95.5	Very high	14 Å²	14	33.9 Å²	33.9	7%	0.073	18%	0.178	C	C	.	.			trans	-107.6	142.8	166.4	-77.1	168.8	0	0	0	109.9	L179 L184 L202 L207 P211	L179-L187 HydrophobicContact CD1-CD2 4.19Å; L184-L187 HydrophobicContact CD1-CD2 4.36Å; L187-L202 HydrophobicContact CD1-CD1 3.41Å; L187-L202 VanDerWaalsContact CD1-CD1 3.41Å; L187-L202 HydrophobicContact CD1-CD2 3.72Å; L187-L202 HydrophobicContact CD1-CG 4.18Å; L187-L202 HydrophobicContact CD2-CD2 3.99Å; L187-L202 HydrophobicContact CG-CD2 4.37Å; L187-L207 HydrophobicContact CD1-CD1 4.25Å; L187-L207 HydrophobicContact CG-CD1 4.49Å; L187-L207 HydrophobicContact CG-CD2 4.13Å; L187-P211 HydrophobicContact CB-CG 3.89Å
188	P	94.9	Very high	95.3	Very high	9 Å²	9	41.6 Å²	41.6	6%	0.058	21%	0.207	C	C	.	.			trans	-64.4	148.7	175.2	26.8	-32.5	0	0	0	110.8	V164 E166 I168 S190 V191	V164-P188 HydrophobicContact CB-CG 4.28Å; V164-P188 HydrophobicContact CG1-CG 4.41Å; E166-P188 HydrophobicContact CB-CB 4.46Å; E166-P188 HydrophobicContact CG-CB 3.96Å; E166-P188 VanDerWaalsContact OE1-CA 3.29Å; E166-P188 WeakPolarHBondContact OE1-CA 3.1Å; E166-P188 WeakPolarHBondContact OE1-CB 3.26Å; E166-P188 WeakPolarHBondContact OE2-CB 3.46Å; I168-P188 HydrophobicContact CG2-CG 3.72Å; P188-S190 PolarHBondContact O-N 3.31Å; P188-V191 HydrophobicContact CG-CG2 4.07Å; P188-V191 PolarHBondContact O-N 3.28Å
189	S	92	Very high	95	Very high	72 Å²	72	44.5 Å²	44.5	50%	0.503	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-63.9	-28.1	-179.3	66.9	0	0	0	0	112.4	E166 V191 G192	E166-S189 PolarHBondContact OE1-N 3.32Å; E166-S189 PolarHBondContact OE2-N 2.75Å; E166-S189 PolarHBondContact OE2-OG 3.41Å; S189-V191 PolarHBondContact O-N 2.77Å; S189-G192 PolarHBondContact O-N 3.27Å
190	S	94.8	Very high	94.9	Very high	2 Å²	2	44.4 Å²	44.4	1%	0.014	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-64.9	-17.4	179.5	67.7	0	0	0	0	115.1	E166 G169 P188 G192 R193	E166-S190 WeakPolarHBondContact O-CB 3.47Å; E166-S190 PolarHBondContact O-OG 2.83Å; E166-S190 WeakPolarHBondContact OE2-CB 3.23Å; E166-S190 PolarHBondContact OE2-N 2.88Å; E166-S190 PolarHBondContact OE2-OG 3.14Å; G169-S190 VanDerWaalsContact CA-O 3.28Å; G169-S190 WeakPolarHBondContact CA-O 3.12Å; P188-S190 PolarHBondContact O-N 3.31Å; S190-G192 PolarHBondContact O-N 2.94Å; S190-R193 VanDerWaalsContact O-CB 3.27Å; S190-R193 WeakPolarHBondContact O-CB 3.48Å; S190-R193 PolarHBondContact O-N 3.38Å
191	V	94.9	Very high	94.8	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-52.6	-31.7	175	152.6	0	0	0	0	111.4	I168 P188 S189 R193 L194 I200 L214 L217	I168-V191 HydrophobicContact CG2-CG2 3.82Å; P188-V191 HydrophobicContact CG-CG2 4.07Å; P188-V191 PolarHBondContact O-N 3.28Å; S189-V191 PolarHBondContact O-N 2.77Å; V191-R193 PolarHBondContact O-N 3.31Å; V191-R193 VanDerWaalsContact O-N 3.17Å; V191-L194 WeakPolarHBondContact O-CB 3.35Å; V191-L194 WeakPolarHBondContact O-CG 3.43Å; V191-L194 PolarHBondContact O-N 2.65Å; V191-I200 HydrophobicContact CG1-CD1 4.22Å; V191-L214 HydrophobicContact CG1-CD1 3.56Å; V191-L217 HydrophobicContact CG1-CD1 4.24Å; V191-L217 WeakPolarHBondContact O-CD2 3.19Å
192	G	91.6	Very high	94.7	Very high	3 Å²	3	42.6 Å²	42.6	3%	0.031	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-58.2	-23.1	174.2	0	0	0	0	0	115.6	S189 S190 L194 G213 Q216	S189-G192 PolarHBondContact O-N 3.27Å; S190-G192 PolarHBondContact O-N 2.94Å; G192-L194 VanDerWaalsContact C-N 3.27Å; G192-L194 PolarHBondContact O-N 2.97Å; G192-G213 WeakPolarHBondContact CA-O 3.44Å; G192-Q216 WeakPolarHBondContact O-CB 3.46Å
193	R	94.5	Very high	94.7	Very high	165 Å²	165	43 Å²	43	62%	0.623	21%	0.211	S	C	*	.	G	3₁₀ helix	trans	-78.6	-9	-178.4	-60.6	179.5	-178.5	170.2	1.9	113.5	G169 S190 V191 S195	G169-R193 WeakPolarHBondContact O-CB 3.48Å; S190-R193 VanDerWaalsContact O-CB 3.27Å; S190-R193 WeakPolarHBondContact O-CB 3.48Å; S190-R193 PolarHBondContact O-N 3.38Å; V191-R193 PolarHBondContact O-N 3.31Å; V191-R193 VanDerWaalsContact O-N 3.17Å; R193-S195 PolarHBondContact O-N 3.37Å
194	L	95	Very high	94.7	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.216	C	C	.	.			trans	-71.9	68.7	177.9	-62.6	173.9	0	0	0	111.4	I168 L171 L174 L177 V191 G192 A196 L197 L217	I168-L194 VanDerWaalsContact O-CD2 3.27Å; I168-L194 WeakPolarHBondContact O-CD2 3.42Å; L171-L194 HydrophobicContact CB-CD2 3.93Å; L171-L194 VanDerWaalsContact O-CD2 3.26Å; L171-L194 WeakPolarHBondContact O-CD2 3.45Å; L174-L194 HydrophobicContact CB-CD2 4.28Å; L174-L194 HydrophobicContact CD2-CD1 4.37Å; L174-L194 HydrophobicContact CD2-CD2 4.36Å; L177-L194 HydrophobicContact CD2-CD1 4.05Å; V191-L194 WeakPolarHBondContact O-CB 3.35Å; V191-L194 WeakPolarHBondContact O-CG 3.43Å; V191-L194 PolarHBondContact O-N 2.65Å; G192-L194 VanDerWaalsContact C-N 3.27Å; G192-L194 PolarHBondContact O-N 2.97Å; L194-A196 VanDerWaalsContact C-N 3.26Å; L194-A196 PolarHBondContact O-N 2.91Å; L194-L197 HydrophobicContact CB-CB 4.01Å; L194-L197 HydrophobicContact CB-CD2 4.28Å; L194-L197 HydrophobicContact CD1-CD2 4.03Å; L194-L197 VanDerWaalsContact O-CB 3.23Å; L194-L197 WeakPolarHBondContact O-CB 3.46Å; L194-L197 PolarHBondContact O-N 3.05Å; L194-L217 HydrophobicContact CB-CD2 3.96Å; L194-L217 VanDerWaalsContact O-CD2 3.27Å; L194-L217 WeakPolarHBondContact O-CD2 3.3Å
195	S	90.9	Very high	94.7	Very high	75 Å²	75	45 Å²	45	52%	0.524	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-26.4	-170	64.3	0	0	0	0	114.5	R193 N219	R193-S195 PolarHBondContact O-N 3.37Å; S195-N219 PolarHBondContact O-ND2 2.79Å
196	A	94.6	Very high	94.8	Very high	28 Å²	28	44.8 Å²	44.8	23%	0.231	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-4.9	178	0	0	0	0	0	114.2	G172 L174 T175 L194 R198	G172-A196 VanDerWaalsContact O-CB 3.24Å; G172-A196 WeakPolarHBondContact O-CB 3.29Å; L174-A196 CarbonylContact O-C 3.24Å; T175-A196 HydrophobicContact CG2-CB 4.49Å; L194-A196 VanDerWaalsContact C-N 3.26Å; L194-A196 PolarHBondContact O-N 2.91Å; A196-R198 PolarHBondContact O-N 2.99Å
197	L	95.8	Very high	94.9	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.005	19%	0.194	C	C	.	.			trans	-67.8	131.7	-170.9	-157.5	70.4	0	0	0	111.3	L174 L177 L194 I200 L217 N219 V220	L174-L197 HydrophobicContact CB-CD1 4.43Å; L174-L197 HydrophobicContact CD2-CD1 4.2Å; L174-L197 HydrophobicContact CG-CD1 4.12Å; L174-L197 VanDerWaalsContact O-CA 3.24Å; L174-L197 WeakPolarHBondContact O-CA 3.44Å; L174-L197 PolarHBondContact O-N 3.36Å; L174-L197 VanDerWaalsContact O-N 3.1Å; L177-L197 HydrophobicContact CB-CD1 3.85Å; L177-L197 HydrophobicContact CB-CD2 4.46Å; L194-L197 HydrophobicContact CB-CB 4.01Å; L194-L197 HydrophobicContact CB-CD2 4.28Å; L194-L197 HydrophobicContact CD1-CD2 4.03Å; L194-L197 VanDerWaalsContact O-CB 3.23Å; L194-L197 WeakPolarHBondContact O-CB 3.46Å; L194-L197 PolarHBondContact O-N 3.05Å; L197-I200 HydrophobicContact CD2-CB 3.84Å; L197-I200 HydrophobicContact CD2-CD1 4.09Å; L197-I200 HydrophobicContact CD2-CG1 4.35Å; L197-I200 HydrophobicContact CD2-CG2 4.5Å; L197-L217 HydrophobicContact CB-CD2 4.38Å; L197-L217 HydrophobicContact CD2-CD1 4.15Å; L197-L217 HydrophobicContact CD2-CD2 4.48Å; L197-N219 CarbonylContact O-C 3.48Å; L197-N219 VanDerWaalsContact O-C 3.23Å; L197-N219 WeakPolarHBondContact O-CB 3.34Å; L197-V220 HydrophobicContact CB-CG2 4.1Å; L197-V220 HydrophobicContact CD2-CG2 4.32Å; L197-V220 HydrophobicContact CG-CG2 4.25Å; L197-V220 VanDerWaalsContact O-CG2 3.27Å; L197-V220 WeakPolarHBondContact O-CG2 3.12Å; L197-V220 PolarHBondContact O-N 3.19Å
198	R	92.8	Very high	94.9	Very high	163 Å²	163	41.2 Å²	41.2	62%	0.615	21%	0.207	S	C	*	.			trans	-113.9	-32.2	-178.8	-64.5	-178.6	179.2	-174.2	-0.9	112.6	T175 A196 V220 K221	T175-R198 PolarHBondContact O-N 2.81Å; A196-R198 PolarHBondContact O-N 2.99Å; R198-V220 WeakPolarHBondContact O-CA 3.22Å; R198-K221 PolarHBondContact O-N 3.19Å
199	K	91	Very high	94.8	Very high	83 Å²	83	43.5 Å²	43.5	36%	0.361	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	126.5	-178	-178.7	-178.5	166.3	-155.2	0	109.3	T175 E176 L177	T175-K199 PolarHBondContact O-N 2.84Å; E176-K199 HydrophobicContact CG-CD 4.39Å; E176-K199 IonicContact OE1-NZ 2.96Å; E176-K199 PolarHBondContact OE1-NZ 2.79Å; L177-K199 PolarHBondContact N-O 2.97Å; L177-K199 VanDerWaalsContact N-O 3.1Å
200	I	95.3	Very high	95	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	126	173.7	-176.3	170.3	0	0	0	109	L177 V191 L197 L202 L214 V220 L222 L223 D224	L177-I200 HydrophobicContact CD2-CD1 4.5Å; L177-I200 WeakPolarHBondContact O-CA 3.27Å; V191-I200 HydrophobicContact CG1-CD1 4.22Å; L197-I200 HydrophobicContact CD2-CB 3.84Å; L197-I200 HydrophobicContact CD2-CD1 4.09Å; L197-I200 HydrophobicContact CD2-CG1 4.35Å; L197-I200 HydrophobicContact CD2-CG2 4.5Å; I200-L202 HydrophobicContact CD1-CD1 4.18Å; I200-L202 HydrophobicContact CD1-CD2 4.24Å; I200-L202 HydrophobicContact CD1-CG 4.27Å; I200-L202 HydrophobicContact CG1-CD1 4.37Å; I200-L202 HydrophobicContact CG1-CD2 4.21Å; I200-L202 HydrophobicContact CG1-CG 4.04Å; I200-L214 HydrophobicContact CD1-CD1 4.39Å; I200-V220 HydrophobicContact CG2-CG1 3.93Å; I200-V220 HydrophobicContact CG2-CG2 4.37Å; I200-L222 PolarHBondContact N-O 2.77Å; I200-L223 HydrophobicContact CG2-CD1 3.53Å; I200-D224 PolarHBondContact O-N 3.34Å
201	S	95.6	Very high	94.9	Very high	12 Å²	12	41.5 Å²	41.5	8%	0.084	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	122.4	176.6	-173.1	0	0	0	0	109.7	L177 D178 L179 S180	L177-S201 PolarHBondContact O-N 3.17Å; L177-S201 VanDerWaalsContact O-N 3.1Å; D178-S201 WeakPolarHBondContact OD1-CB 3.36Å; L179-S201 CarbonylContact C-O 3.43Å; L179-S201 PolarHBondContact N-O 2.76Å; S180-S201 PolarHBondContact N-O 3.4Å
202	L	96.6	Very high	94.7	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.237	C	C	.	.			trans	-124.1	10.7	-178.6	-58.9	168.3	0	0	0	111.2	L179 L187 I200 N205 L207 L210 L223 D224 N228	L179-L202 HydrophobicContact CB-CD2 4.13Å; L179-L202 HydrophobicContact CD1-CD2 4.01Å; L187-L202 HydrophobicContact CD1-CD1 3.41Å; L187-L202 VanDerWaalsContact CD1-CD1 3.41Å; L187-L202 HydrophobicContact CD1-CD2 3.72Å; L187-L202 HydrophobicContact CD1-CG 4.18Å; L187-L202 HydrophobicContact CD2-CD2 3.99Å; L187-L202 HydrophobicContact CG-CD2 4.37Å; I200-L202 HydrophobicContact CD1-CD1 4.18Å; I200-L202 HydrophobicContact CD1-CD2 4.24Å; I200-L202 HydrophobicContact CD1-CG 4.27Å; I200-L202 HydrophobicContact CG1-CD1 4.37Å; I200-L202 HydrophobicContact CG1-CD2 4.21Å; I200-L202 HydrophobicContact CG1-CG 4.04Å; L202-N205 PolarHBondContact O-ND2 3.18Å; L202-L207 HydrophobicContact CB-CD1 4.06Å; L202-L207 HydrophobicContact CD1-CD1 4.32Å; L202-L210 HydrophobicContact CD1-CD2 4.47Å; L202-L223 HydrophobicContact CD1-CD1 4.14Å; L202-D224 CarbonylContact C-O 3.16Å; L202-D224 WeakPolarHBondContact CA-O 2.99Å; L202-D224 WeakPolarHBondContact CB-O 3.13Å; L202-D224 PolarHBondContact N-O 3.42Å; L202-N228 PolarHBondContact O-ND2 3.34Å
203	C	97.1	Very high	94.6	Very high	15 Å²	15	47.2 Å²	47.2	10%	0.101	24%	0.24	C	C	.	.			trans	-65.8	153.6	-173.3	65.9	0	0	0	0	112.5	S180 N181 N205 D224 S226	S180-C203 CarbonylContact C-O 3.11Å; S180-C203 WeakPolarHBondContact CA-O 3.34Å; S180-C203 WeakPolarHBondContact CB-O 3.23Å; S180-C203 WeakPolarHBondContact CB-SG 3.14Å; N181-C203 PolarHBondContact N-O 3.05Å; C203-N205 PolarHBondContact O-ND2 3.31Å; C203-D224 WeakPolarHBondContact CB-OD1 3.31Å; C203-D224 PolarHBondContact N-O 3.35Å; C203-S226 CarbonylContact C-O 3.27Å; C203-S226 WeakPolarHBondContact CA-O 3.01Å; C203-S226 WeakPolarHBondContact CB-OG 3.25Å
204	H	97.6	Very high	94.5	Very high	83 Å²	83	39.4 Å²	39.4	38%	0.384	21%	0.21	S	C	.	.	S	Bend	trans	57	56.9	-179.9	-69.1	-126.6	0	0	0	112.3	N181 N182 S226 H227	N181-H204 WeakPolarHBondContact CA-O 3.4Å; N181-H204 HydrophobicContact CB-CB 4.33Å; N181-H204 PolarHBondContact N-O 3.32Å; N181-H204 VanDerWaalsContact OD1-CB 3.3Å; N181-H204 WeakPolarHBondContact OD1-CB 3.24Å; N181-H204 PolarHBondContact OD1-ND1 3.31Å; N182-H204 PolarHBondContact N-O 3.02Å; H204-S226 PolarHBondContact N-O 2.83Å; H204-H227 VanDerWaalsContact CA-O 3.29Å; H204-H227 WeakPolarHBondContact CA-O 3.43Å; H204-H227 HydrophobicContact CB-CB 4.41Å; H204-H227 VanDerWaalsContact CD2-CB 3.48Å; H204-H227 WeakPolarHBondContact CD2-CB 3.32Å; H204-H227 AromaticContact CD2-CD2 3.54Å; H204-H227 AromaticContact CD2-CG 3.59Å; H204-H227 AromaticContact CE1-CG 3.97Å; H204-H227 PolarHBondContact N-O 3Å; H204-H227 AromaticContact NE2-CD2 3.15Å; H204-H227 PolarHBondContact NE2-CD2 3.39Å; H204-H227 AromaticContact NE2-CG 3.41Å; H204-H227 AromaticContact NE2-ND1 3.98Å; H204-H227 AromaticContact NE2-NE2 3.65Å
205	N	98.3	Very high	94.2	Very high	11 Å²	11	39.7 Å²	39.7	6%	0.059	21%	0.213	C	C	.	.	S	Bend	trans	-127.3	-169.3	174.1	-86.5	-74.1	0	0	0	110.2	L179 N182 L183 L184 L202 C203 L207 H227 N228	L179-N205 PolarHBondContact O-ND2 3.24Å; N182-N205 VanDerWaalsContact CA-OD1 3.32Å; N182-N205 WeakPolarHBondContact CA-OD1 3.33Å; N182-N205 WeakPolarHBondContact CB-OD1 3.25Å; N182-N205 PolarHBondContact N-OD1 2.86Å; N182-N205 PolarHBondContact O-OD1 2.97Å; L183-N205 PolarHBondContact N-OD1 3.25Å; L184-N205 HydrophobicContact CB-CB 4.26Å; L184-N205 VanDerWaalsContact CB-OD1 3.3Å; L184-N205 WeakPolarHBondContact CB-OD1 3.25Å; L184-N205 WeakPolarHBondContact CG-OD1 3.3Å; L184-N205 PolarHBondContact N-OD1 3.06Å; L202-N205 PolarHBondContact O-ND2 3.18Å; C203-N205 PolarHBondContact O-ND2 3.31Å; N205-L207 HydrophobicContact CB-CG 4.16Å; N205-H227 PolarHBondContact N-O 3.37Å; N205-H227 VanDerWaalsContact N-O 3.14Å; N205-N228 VanDerWaalsContact CA-OD1 3.32Å; N205-N228 WeakPolarHBondContact CA-OD1 3.05Å; N205-N228 WeakPolarHBondContact CB-OD1 3.1Å; N205-N228 PolarHBondContact O-OD1 2.78Å
206	K	97.3	Very high	94.3	Very high	95 Å²	95	42.3 Å²	42.3	41%	0.413	22%	0.217	S	C	.	.			trans	-115	27	178.6	-63.6	-178.7	180	175.7	0	111.9	L184 K185 S208 N228	L184-K206 CarbonylContact O-C 3.35Å; L184-K206 WeakPolarHBondContact O-CA 3.25Å; L184-K206 WeakPolarHBondContact O-CB 3.29Å; L184-K206 PolarHBondContact O-N 3.17Å; K185-K206 HydrophobicContact CG-CB 4.49Å; K206-S208 PolarHBondContact O-N 2.93Å; K206-N228 PolarHBondContact N-OD1 3.02Å
207	L	97.2	Very high	94.2	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.207	C	C	.	.			trans	-64.5	123.9	-174.7	-61.7	172.9	0	0	0	110.6	L184 K185 L187 L202 N205 L210 N228 Q229 L230	L184-L207 HydrophobicContact CB-CD2 4.01Å; L184-L207 PolarHBondContact O-N 2.84Å; L184-L207 VanDerWaalsContact O-N 3.1Å; K185-L207 WeakPolarHBondContact O-CA 3.32Å; L187-L207 HydrophobicContact CD1-CD1 4.25Å; L187-L207 HydrophobicContact CG-CD1 4.49Å; L187-L207 HydrophobicContact CG-CD2 4.13Å; L202-L207 HydrophobicContact CB-CD1 4.06Å; L202-L207 HydrophobicContact CD1-CD1 4.32Å; N205-L207 HydrophobicContact CB-CG 4.16Å; L207-L210 HydrophobicContact CD1-CD2 4.32Å; L207-N228 HydrophobicContact CB-CB 4.26Å; L207-N228 VanDerWaalsContact CB-OD1 3.26Å; L207-N228 WeakPolarHBondContact CB-OD1 3.46Å; L207-N228 WeakPolarHBondContact CG-OD1 3.42Å; L207-N228 PolarHBondContact N-OD1 3.15Å; L207-Q229 CarbonylContact O-C 3.16Å; L207-Q229 VanDerWaalsContact O-CA 3.25Å; L207-Q229 WeakPolarHBondContact O-CA 3.19Å; L207-Q229 WeakPolarHBondContact O-CB 3.17Å; L207-Q229 PolarHBondContact O-N 3.1Å; L207-L230 HydrophobicContact CB-CD2 4.04Å; L207-L230 PolarHBondContact O-N 3.14Å
208	S	94.8	Very high	93.9	Very high	48 Å²	48	43.2 Å²	43.2	34%	0.336	22%	0.224	S	C	.	.	S	Bend	trans	-89.1	-26.2	174.2	60.9	0	0	0	0	113.2	K185 H186 K206	K185-S208 PolarHBondContact O-N 3.25Å; H186-S208 PolarHBondContact CE1-OG 3.39Å; H186-S208 VanDerWaalsContact CE1-OG 3.28Å; K206-S208 PolarHBondContact O-N 2.93Å
209	S	94.1	Very high	93.9	Very high	57 Å²	57	39.6 Å²	39.6	40%	0.399	22%	0.217	S	C	.	.			trans	-151.9	160.4	179.4	55.5	0	0	0	0	110.5
210	L	94.6	Very high	94.1	Very high	10 Å²	10	35.6 Å²	35.6	5%	0.052	20%	0.2	C	C	.	.			trans	-100.9	141.6	169.5	-59.7	174.1	0	0	0	109.1	L202 L207 L214 L230 V233 P234	L202-L210 HydrophobicContact CD1-CD2 4.47Å; L207-L210 HydrophobicContact CD1-CD2 4.32Å; L210-L214 HydrophobicContact CB-CD2 4.03Å; L210-L214 HydrophobicContact CD1-CD2 4.01Å; L210-L214 HydrophobicContact CD2-CD2 4.08Å; L210-L214 HydrophobicContact CG-CD2 4.25Å; L210-L230 HydrophobicContact CD1-CD1 4.18Å; L210-L230 HydrophobicContact CD2-CD1 4.34Å; L210-L230 HydrophobicContact CD2-CD2 4.16Å; L210-L230 HydrophobicContact CG-CD1 4.14Å; L210-L230 HydrophobicContact CG-CD2 3.97Å; L210-V233 HydrophobicContact CD1-CG1 4.47Å; L210-P234 HydrophobicContact CB-CG 4.08Å
211	P	93.9	Very high	94	Very high	22 Å²	22	40.9 Å²	40.9	14%	0.143	22%	0.223	C	C	.	.			trans	-72.4	146.9	178.8	29.1	-33.7	0	0	0	111.1	L187 G213 L214	L187-P211 HydrophobicContact CB-CG 3.89Å; P211-G213 PolarHBondContact O-N 3.22Å; P211-L214 HydrophobicContact CG-CB 4.34Å; P211-L214 WeakPolarHBondContact O-CB 3.21Å; P211-L214 PolarHBondContact O-N 3.1Å
212	D	89.4	Confident	93.8	Very high	115 Å²	115	42.3 Å²	42.3	62%	0.615	23%	0.229	S	C	*	.	G	3₁₀ helix	trans	-60.5	-29.8	179.1	-75.4	-40.6	0	0	0	113.5	L214 G215 P234 S236	D212-L214 PolarHBondContact O-N 3.13Å; D212-G215 PolarHBondContact O-N 3.48Å; D212-P234 VanDerWaalsContact OD1-CB 3.32Å; D212-P234 WeakPolarHBondContact OD1-CB 3.28Å; D212-S236 VanDerWaalsContact CA-OG 3.31Å; D212-S236 WeakPolarHBondContact CA-OG 3.42Å; D212-S236 VanDerWaalsContact O-CB 3.32Å; D212-S236 WeakPolarHBondContact O-CB 3.49Å; D212-S236 PolarHBondContact O-OG 3.42Å; D212-S236 PolarHBondContact OD1-OG 2.98Å; D212-S236 VanDerWaalsContact OD1-OG 3.12Å
213	G	89.8	Confident	93.8	Very high	9 Å²	9	42.3 Å²	42.3	9%	0.093	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-59.2	-25.3	175.5	0	0	0	0	0	113.4	G192 P211 G215 Q216	G192-G213 WeakPolarHBondContact CA-O 3.44Å; P211-G213 PolarHBondContact O-N 3.22Å; G213-G215 PolarHBondContact O-N 3Å; G213-G215 VanDerWaalsContact O-N 3.09Å; G213-Q216 WeakPolarHBondContact O-CB 3.38Å; G213-Q216 WeakPolarHBondContact O-CG 3.47Å; G213-Q216 PolarHBondContact O-N 2.9Å
214	L	92.5	Very high	93.7	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-58.4	-29	-177.8	-167.2	66.6	0	0	0	112.5	V191 I200 L210 P211 D212 Q216 L217 L223 L237	V191-L214 HydrophobicContact CG1-CD1 3.56Å; I200-L214 HydrophobicContact CD1-CD1 4.39Å; L210-L214 HydrophobicContact CB-CD2 4.03Å; L210-L214 HydrophobicContact CD1-CD2 4.01Å; L210-L214 HydrophobicContact CD2-CD2 4.08Å; L210-L214 HydrophobicContact CG-CD2 4.25Å; P211-L214 HydrophobicContact CG-CB 4.34Å; P211-L214 WeakPolarHBondContact O-CB 3.21Å; P211-L214 PolarHBondContact O-N 3.1Å; D212-L214 PolarHBondContact O-N 3.13Å; L214-Q216 PolarHBondContact O-N 3.17Å; L214-L217 HydrophobicContact CD1-CD1 3.53Å; L214-L217 HydrophobicContact CG-CD1 4.39Å; L214-L217 WeakPolarHBondContact O-CB 3.37Å; L214-L217 WeakPolarHBondContact O-CG 3.32Å; L214-L217 PolarHBondContact O-N 2.88Å; L214-L223 HydrophobicContact CD2-CD2 4.28Å; L214-L237 HydrophobicContact CB-CD1 3.96Å; L214-L237 HydrophobicContact CD2-CD1 3.65Å; L214-L237 HydrophobicContact CG-CD1 3.8Å
215	G	89.6	Confident	93.6	Very high	6 Å²	6	39 Å²	39	6%	0.062	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-61.7	-17.1	175.3	0	0	0	0	0	115.7	D212 G213 L217 S236 G239 M240	D212-G215 PolarHBondContact O-N 3.48Å; G213-G215 PolarHBondContact O-N 3Å; G213-G215 VanDerWaalsContact O-N 3.09Å; G215-L217 PolarHBondContact O-N 2.81Å; G215-S236 WeakPolarHBondContact CA-O 3.31Å; G215-G239 CarbonylContact O-C 3.14Å; G215-G239 WeakPolarHBondContact O-CA 3.41Å; G215-M240 PolarHBondContact O-N 3.23Å
216	Q	92.2	Very high	93.5	Very high	131 Å²	131	38.6 Å²	38.6	61%	0.612	21%	0.212	S	C	*	.	G	3₁₀ helix	trans	-78	-9	-179.9	-62.4	174.5	14.5	0	0	113.1	G192 G213 L214 A218	G192-Q216 WeakPolarHBondContact O-CB 3.46Å; G213-Q216 WeakPolarHBondContact O-CB 3.38Å; G213-Q216 WeakPolarHBondContact O-CG 3.47Å; G213-Q216 PolarHBondContact O-N 2.9Å; L214-Q216 PolarHBondContact O-N 3.17Å; Q216-A218 VanDerWaalsContact C-N 3.28Å; Q216-A218 PolarHBondContact O-N 3.25Å
217	L	92.8	Very high	93.5	Very high	1 Å²	1	37 Å²	37	1%	0.005	21%	0.206	C	C	.	.			trans	-74.1	74.9	-179.4	-65.7	-177.1	0	0	0	112.3	V191 L194 L197 L214 G215 N219 V220 M240	V191-L217 HydrophobicContact CG1-CD1 4.24Å; V191-L217 WeakPolarHBondContact O-CD2 3.19Å; L194-L217 HydrophobicContact CB-CD2 3.96Å; L194-L217 VanDerWaalsContact O-CD2 3.27Å; L194-L217 WeakPolarHBondContact O-CD2 3.3Å; L197-L217 HydrophobicContact CB-CD2 4.38Å; L197-L217 HydrophobicContact CD2-CD1 4.15Å; L197-L217 HydrophobicContact CD2-CD2 4.48Å; L214-L217 HydrophobicContact CD1-CD1 3.53Å; L214-L217 HydrophobicContact CG-CD1 4.39Å; L214-L217 WeakPolarHBondContact O-CB 3.37Å; L214-L217 WeakPolarHBondContact O-CG 3.32Å; L214-L217 PolarHBondContact O-N 2.88Å; G215-L217 PolarHBondContact O-N 2.81Å; L217-N219 VanDerWaalsContact C-N 3.26Å; L217-N219 PolarHBondContact O-N 3.38Å; L217-V220 HydrophobicContact CB-CB 4.33Å; L217-V220 HydrophobicContact CB-CG2 3.78Å; L217-V220 HydrophobicContact CD1-CG2 4.02Å; L217-V220 HydrophobicContact CG-CG2 4.41Å; L217-V220 PolarHBondContact O-N 2.91Å; L217-M240 HydrophobicContact CB-CE 4.17Å
218	A	88.6	Confident	93.6	Very high	46 Å²	46	37.5 Å²	37.5	38%	0.38	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-20.1	-172.9	0	0	0	0	0	115	Q216 A242	Q216-A218 VanDerWaalsContact C-N 3.28Å; Q216-A218 PolarHBondContact O-N 3.25Å; A218-A242 WeakPolarHBondContact O-CB 3.34Å; A218-A242 PolarHBondContact O-N 2.79Å
219	N	93.3	Very high	93.7	Very high	87 Å²	87	38.9 Å²	38.9	47%	0.465	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.3	-4.4	-174.4	-72.6	-47.3	0	0	0	114.6	S195 L197 L217 K221	S195-N219 PolarHBondContact O-ND2 2.79Å; L197-N219 CarbonylContact O-C 3.48Å; L197-N219 VanDerWaalsContact O-C 3.23Å; L197-N219 WeakPolarHBondContact O-CB 3.34Å; L217-N219 VanDerWaalsContact C-N 3.26Å; L217-N219 PolarHBondContact O-N 3.38Å; N219-K221 PolarHBondContact O-N 2.88Å
220	V	95	Very high	93.8	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.19	C	C	.	.			trans	-73	127.2	-178.3	169.9	0	0	0	0	110.1	L197 R198 I200 L217 L222 M240 A242 L243	L197-V220 HydrophobicContact CB-CG2 4.1Å; L197-V220 HydrophobicContact CD2-CG2 4.32Å; L197-V220 HydrophobicContact CG-CG2 4.25Å; L197-V220 VanDerWaalsContact O-CG2 3.27Å; L197-V220 WeakPolarHBondContact O-CG2 3.12Å; L197-V220 PolarHBondContact O-N 3.19Å; R198-V220 WeakPolarHBondContact O-CA 3.22Å; I200-V220 HydrophobicContact CG2-CG1 3.93Å; I200-V220 HydrophobicContact CG2-CG2 4.37Å; L217-V220 HydrophobicContact CB-CB 4.33Å; L217-V220 HydrophobicContact CB-CG2 3.78Å; L217-V220 HydrophobicContact CD1-CG2 4.02Å; L217-V220 HydrophobicContact CG-CG2 4.41Å; L217-V220 PolarHBondContact O-N 2.91Å; V220-L222 VanDerWaalsContact CG1-O 3.31Å; V220-L222 WeakPolarHBondContact CG1-O 3.37Å; V220-M240 HydrophobicContact CB-CE 3.57Å; V220-M240 HydrophobicContact CG1-CE 3.52Å; V220-M240 HydrophobicContact CG2-CE 4.32Å; V220-A242 CarbonylContact O-C 3.51Å; V220-A242 VanDerWaalsContact O-C 3.22Å; V220-L243 HydrophobicContact CG1-CD1 4.33Å; V220-L243 VanDerWaalsContact O-CA 3.26Å; V220-L243 WeakPolarHBondContact O-CA 3.16Å; V220-L243 PolarHBondContact O-N 3.37Å
221	K	92.9	Very high	93.8	Very high	110 Å²	110	39.9 Å²	39.9	48%	0.478	21%	0.214	S	C	.	.			trans	-98.6	-30.3	178.4	-64.1	-176.1	179.4	-177.6	0	113	R198 N219 Q244 Q245	R198-K221 PolarHBondContact O-N 3.19Å; N219-K221 PolarHBondContact O-N 2.88Å; K221-Q244 PolarHBondContact O-N 3.17Å; K221-Q245 PolarHBondContact O-N 2.97Å
222	L	93.4	Very high	93.7	Very high	42 Å²	42	42.7 Å²	42.7	22%	0.22	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	122	-177.5	-173.9	164.6	0	0	0	108.7	I200 V220 D224 Q245 Y247	I200-L222 PolarHBondContact N-O 2.77Å; V220-L222 VanDerWaalsContact CG1-O 3.31Å; V220-L222 WeakPolarHBondContact CG1-O 3.37Å; L222-D224 HydrophobicContact CD2-CB 4Å; L222-Q245 WeakPolarHBondContact CA-O 3.28Å; L222-Q245 HydrophobicContact CG-CB 4.26Å; L222-Y247 HydrophobicContact CD1-CE2 4.25Å; L222-Y247 HydrophobicContact CD2-CD2 4.43Å; L222-Y247 HydrophobicContact CD2-CE2 4.41Å; L222-Y247 HydrophobicContact CG-CE2 4.13Å
223	L	95	Very high	93.8	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	113.5	171.2	175.4	60.8	0	0	0	108.8	I200 L202 L214 L237 M240 L243 Q245 L246 Y247	I200-L223 HydrophobicContact CG2-CD1 3.53Å; L202-L223 HydrophobicContact CD1-CD1 4.14Å; L214-L223 HydrophobicContact CD2-CD2 4.28Å; L223-L237 HydrophobicContact CD2-CD1 4.39Å; L223-L237 HydrophobicContact CD2-CD2 3.88Å; L223-M240 HydrophobicContact CB-CE 4.43Å; L223-M240 HydrophobicContact CD2-CE 4.23Å; L223-M240 HydrophobicContact CD2-SD 4.08Å; L223-L243 HydrophobicContact CB-CD1 3.74Å; L223-Q245 PolarHBondContact N-O 3.02Å; L223-Q245 VanDerWaalsContact N-O 3.07Å; L223-L246 HydrophobicContact CB-CD1 4.17Å; L223-L246 HydrophobicContact CD2-CD1 3.92Å; L223-L246 HydrophobicContact CG-CD1 4.07Å; L223-Y247 PolarHBondContact O-N 2.99Å
224	D	95.4	Very high	93.8	Very high	28 Å²	28	38.2 Å²	38.2	15%	0.15	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	108.6	175	-173.2	-2.4	0	0	0	111.3	I200 L202 C203 L222 S226 Y247	I200-D224 PolarHBondContact O-N 3.34Å; L202-D224 CarbonylContact C-O 3.16Å; L202-D224 WeakPolarHBondContact CA-O 2.99Å; L202-D224 WeakPolarHBondContact CB-O 3.13Å; L202-D224 PolarHBondContact N-O 3.42Å; C203-D224 WeakPolarHBondContact CB-OD1 3.31Å; C203-D224 PolarHBondContact N-O 3.35Å; L222-D224 HydrophobicContact CD2-CB 4Å; D224-S226 WeakPolarHBondContact OD1-CB 3.35Å; D224-S226 PolarHBondContact OD1-N 2.76Å; D224-S226 PolarHBondContact OD1-OG 2.92Å; D224-Y247 HydrophobicContact CB-CD2 4.21Å; D224-Y247 WeakPolarHBondContact OD1-CB 3.38Å
225	C	95.5	Very high	93.5	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.229	C	C	.	.			trans	-114.8	21.6	176.3	-65.4	0	0	0	0	111.8	N228 L230 Y247 L248 N251	C225-N228 PolarHBondContact O-ND2 3.28Å; C225-N228 VanDerWaalsContact O-ND2 3.09Å; C225-L230 HydrophobicContact CB-CD1 3.86Å; C225-Y247 CarbonylContact C-O 3.47Å; C225-Y247 WeakPolarHBondContact CA-O 3.43Å; C225-Y247 PolarHBondContact N-O 2.88Å; C225-L248 HydrophobicContact CB-CD2 4.18Å; C225-N251 PolarHBondContact O-ND2 3.43Å
226	S	96.6	Very high	93.5	Very high	3 Å²	3	44.2 Å²	44.2	2%	0.021	24%	0.24	C	C	.	.			trans	-66.2	156.7	-177.2	61.7	0	0	0	0	113.6	C203 H204 D224 N228 Y247 Q249	C203-S226 CarbonylContact C-O 3.27Å; C203-S226 WeakPolarHBondContact CA-O 3.01Å; C203-S226 WeakPolarHBondContact CB-OG 3.25Å; H204-S226 PolarHBondContact N-O 2.83Å; D224-S226 WeakPolarHBondContact OD1-CB 3.35Å; D224-S226 PolarHBondContact OD1-N 2.76Å; D224-S226 PolarHBondContact OD1-OG 2.92Å; S226-N228 PolarHBondContact O-N 3.47Å; S226-N228 PolarHBondContact O-ND2 2.77Å; S226-N228 VanDerWaalsContact O-ND2 3.12Å; S226-Y247 PolarHBondContact N-O 2.85Å; S226-Q249 CarbonylContact C-O 3.56Å; S226-Q249 WeakPolarHBondContact CA-O 3.47Å; S226-Q249 WeakPolarHBondContact CB-O 3.46Å
227	H	97.7	Very high	93.4	Very high	63 Å²	63	38 Å²	38	29%	0.292	21%	0.211	S	C	.	.	S	Bend	trans	53.2	57.9	-179.7	-65	-92.2	0	0	0	112.5	H204 N205 Q249 H250	H204-H227 VanDerWaalsContact CA-O 3.29Å; H204-H227 WeakPolarHBondContact CA-O 3.43Å; H204-H227 HydrophobicContact CB-CB 4.41Å; H204-H227 VanDerWaalsContact CD2-CB 3.48Å; H204-H227 WeakPolarHBondContact CD2-CB 3.32Å; H204-H227 AromaticContact CD2-CD2 3.54Å; H204-H227 AromaticContact CD2-CG 3.59Å; H204-H227 AromaticContact CE1-CG 3.97Å; H204-H227 PolarHBondContact N-O 3Å; H204-H227 AromaticContact NE2-CD2 3.15Å; H204-H227 PolarHBondContact NE2-CD2 3.39Å; H204-H227 AromaticContact NE2-CG 3.41Å; H204-H227 AromaticContact NE2-ND1 3.98Å; H204-H227 AromaticContact NE2-NE2 3.65Å; N205-H227 PolarHBondContact N-O 3.37Å; N205-H227 VanDerWaalsContact N-O 3.14Å; H227-Q249 PolarHBondContact N-O 2.99Å; H227-H250 VanDerWaalsContact CA-O 3.26Å; H227-H250 WeakPolarHBondContact CA-O 3.39Å; H227-H250 HydrophobicContact CB-CB 4.39Å; H227-H250 AromaticContact CD2-CD2 3.93Å; H227-H250 AromaticContact CE1-CD2 3.16Å; H227-H250 PolarHBondContact CE1-CD2 2.98Å; H227-H250 AromaticContact CE1-CG 3.35Å; H227-H250 AromaticContact CE1-ND1 3.91Å; H227-H250 AromaticContact CE1-NE2 3.68Å; H227-H250 PolarHBondContact N-O 3.1Å; H227-H250 AromaticContact ND1-CD2 3.88Å; H227-H250 AromaticContact ND1-CG 3.64Å; H227-H250 AromaticContact NE2-CD2 3.16Å; H227-H250 PolarHBondContact NE2-CD2 3.06Å; H227-H250 AromaticContact NE2-CG 3.74Å; H227-H250 AromaticContact NE2-NE2 3.85Å
228	N	98.1	Very high	93	Very high	10 Å²	10	39 Å²	39	5%	0.053	22%	0.22	C	C	.	.	S	Bend	trans	-129.9	-166.3	175.9	-86.1	-75.4	0	0	0	109.8	L202 N205 K206 L207 C225 S226 L230 H250 N251	L202-N228 PolarHBondContact O-ND2 3.34Å; N205-N228 VanDerWaalsContact CA-OD1 3.32Å; N205-N228 WeakPolarHBondContact CA-OD1 3.05Å; N205-N228 WeakPolarHBondContact CB-OD1 3.1Å; N205-N228 PolarHBondContact O-OD1 2.78Å; K206-N228 PolarHBondContact N-OD1 3.02Å; L207-N228 HydrophobicContact CB-CB 4.26Å; L207-N228 VanDerWaalsContact CB-OD1 3.26Å; L207-N228 WeakPolarHBondContact CB-OD1 3.46Å; L207-N228 WeakPolarHBondContact CG-OD1 3.42Å; L207-N228 PolarHBondContact N-OD1 3.15Å; C225-N228 PolarHBondContact O-ND2 3.28Å; C225-N228 VanDerWaalsContact O-ND2 3.09Å; S226-N228 PolarHBondContact O-N 3.47Å; S226-N228 PolarHBondContact O-ND2 2.77Å; S226-N228 VanDerWaalsContact O-ND2 3.12Å; N228-L230 HydrophobicContact CB-CG 4.15Å; N228-H250 PolarHBondContact N-O 3.28Å; N228-H250 VanDerWaalsContact N-O 3.12Å; N228-N251 VanDerWaalsContact CA-OD1 3.3Å; N228-N251 WeakPolarHBondContact CA-OD1 3.27Å; N228-N251 WeakPolarHBondContact CB-OD1 3.34Å; N228-N251 PolarHBondContact N-OD1 2.66Å; N228-N251 PolarHBondContact O-OD1 3.04Å
229	Q	97.3	Very high	92.9	Very high	76 Å²	76	38.5 Å²	38.5	36%	0.355	22%	0.219	S	C	.	.			trans	-118.5	26.3	179.7	-56.7	-173.9	55.2	0	0	112	L207 T231 N251 K252	L207-Q229 CarbonylContact O-C 3.16Å; L207-Q229 VanDerWaalsContact O-CA 3.25Å; L207-Q229 WeakPolarHBondContact O-CA 3.19Å; L207-Q229 WeakPolarHBondContact O-CB 3.17Å; L207-Q229 PolarHBondContact O-N 3.1Å; Q229-T231 PolarHBondContact O-N 3.05Å; Q229-N251 PolarHBondContact N-OD1 2.96Å; Q229-K252 HydrophobicContact CB-CD 4.39Å
230	L	96.6	Very high	92.8	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	20%	0.196	C	C	.	.			trans	-63.3	126.7	-175.5	-60.2	176.7	0	0	0	110.5	L207 L210 C225 N228 L248 N251 K252 L253	L207-L230 HydrophobicContact CB-CD2 4.04Å; L207-L230 PolarHBondContact O-N 3.14Å; L210-L230 HydrophobicContact CD1-CD1 4.18Å; L210-L230 HydrophobicContact CD2-CD1 4.34Å; L210-L230 HydrophobicContact CD2-CD2 4.16Å; L210-L230 HydrophobicContact CG-CD1 4.14Å; L210-L230 HydrophobicContact CG-CD2 3.97Å; C225-L230 HydrophobicContact CB-CD1 3.86Å; N228-L230 HydrophobicContact CB-CG 4.15Å; L230-L248 HydrophobicContact CD1-CD2 4.28Å; L230-N251 HydrophobicContact CB-CB 4.23Å; L230-N251 VanDerWaalsContact CB-OD1 3.28Å; L230-N251 WeakPolarHBondContact CB-OD1 3.2Å; L230-N251 WeakPolarHBondContact CG-OD1 3.37Å; L230-N251 PolarHBondContact N-OD1 3.21Å; L230-K252 CarbonylContact O-C 3.54Å; L230-K252 VanDerWaalsContact O-CA 3.26Å; L230-K252 WeakPolarHBondContact O-CA 3.21Å; L230-K252 WeakPolarHBondContact O-CB 3.13Å; L230-K252 PolarHBondContact O-N 3.45Å; L230-L253 HydrophobicContact CB-CD2 4.16Å; L230-L253 PolarHBondContact O-N 2.98Å
231	T	94.1	Very high	92.6	Very high	88 Å²	88	39.6 Å²	39.6	54%	0.54	22%	0.224	S	C	.	.	S	Bend	trans	-96	-25.7	174.7	55	0	0	0	0	112.9	Q229 K252	Q229-T231 PolarHBondContact O-N 3.05Å; T231-K252 HydrophobicContact CG2-CB 4.22Å
232	D	91.3	Very high	92.6	Very high	82 Å²	82	35.6 Å²	35.6	44%	0.439	21%	0.212	S	C	.	.			trans	-150.1	165.9	177.3	-151.9	-12.6	0	0	0	110.1
233	V	92	Very high	92.6	Very high	7 Å²	7	33.7 Å²	33.7	4%	0.042	20%	0.202	C	C	.	.			trans	-120.1	126.5	174.2	-179.4	0	0	0	0	107.8	L210 L237 L248 L253 P257	L210-V233 HydrophobicContact CD1-CG1 4.47Å; V233-L237 HydrophobicContact CG1-CB 4.27Å; V233-L237 HydrophobicContact CG1-CD2 3.49Å; V233-L237 VanDerWaalsContact CG1-CD2 3.49Å; V233-L237 HydrophobicContact CG1-CG 4.44Å; V233-L248 HydrophobicContact CG2-CD1 4.08Å; V233-L248 HydrophobicContact CG2-CD2 3.99Å; V233-L253 HydrophobicContact CG2-CD1 4.4Å; V233-L253 HydrophobicContact CG2-CD2 4.01Å; V233-P257 HydrophobicContact CB-CB 3.74Å; V233-P257 HydrophobicContact CG1-CB 4.06Å; V233-P257 HydrophobicContact CG2-CB 4.1Å
234	P	90.6	Very high	92.5	Very high	22 Å²	22	37.9 Å²	37.9	14%	0.143	22%	0.221	C	C	.	.			trans	-67.1	142.4	-173.3	30.2	-37	0	0	0	111.5	L210 D212 S236 L237	L210-P234 HydrophobicContact CB-CG 4.08Å; D212-P234 VanDerWaalsContact OD1-CB 3.32Å; D212-P234 WeakPolarHBondContact OD1-CB 3.28Å; P234-S236 WeakPolarHBondContact CB-OG 3.49Å; P234-S236 PolarHBondContact O-N 2.75Å; P234-S236 VanDerWaalsContact O-N 3.16Å; P234-L237 VanDerWaalsContact O-CB 3.25Å; P234-L237 WeakPolarHBondContact O-CB 3.5Å; P234-L237 PolarHBondContact O-N 3.06Å
235	V	86.5	Confident	92.5	Very high	92 Å²	92	39.1 Å²	39.1	56%	0.558	23%	0.226	S	C	*	.	G	3₁₀ helix	trans	-61.3	-26	180	-179	0	0	0	0	111.8	L237 A238	V235-L237 PolarHBondContact O-N 2.69Å; V235-L237 VanDerWaalsContact O-N 3.1Å; V235-A238 WeakPolarHBondContact O-CB 3.33Å; V235-A238 PolarHBondContact O-N 3.08Å
236	S	88.4	Confident	92.5	Very high	40 Å²	40	39.1 Å²	39.1	28%	0.28	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-55.2	-26	174.1	52.1	0	0	0	0	113.2	D212 G215 P234 A238 G239	D212-S236 VanDerWaalsContact CA-OG 3.31Å; D212-S236 WeakPolarHBondContact CA-OG 3.42Å; D212-S236 VanDerWaalsContact O-CB 3.32Å; D212-S236 WeakPolarHBondContact O-CB 3.49Å; D212-S236 PolarHBondContact O-OG 3.42Å; D212-S236 PolarHBondContact OD1-OG 2.98Å; D212-S236 VanDerWaalsContact OD1-OG 3.12Å; G215-S236 WeakPolarHBondContact CA-O 3.31Å; P234-S236 WeakPolarHBondContact CB-OG 3.49Å; P234-S236 PolarHBondContact O-N 2.75Å; P234-S236 VanDerWaalsContact O-N 3.16Å; S236-A238 PolarHBondContact O-N 3.43Å; S236-A238 VanDerWaalsContact O-N 3.07Å; S236-G239 PolarHBondContact O-N 2.9Å
237	L	89.6	Confident	92.4	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.005	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-61.4	-17.4	176.9	-140.6	77.4	0	0	0	113.3	L214 L223 V233 P234 V235 G239 M240 L259	L214-L237 HydrophobicContact CB-CD1 3.96Å; L214-L237 HydrophobicContact CD2-CD1 3.65Å; L214-L237 HydrophobicContact CG-CD1 3.8Å; L223-L237 HydrophobicContact CD2-CD1 4.39Å; L223-L237 HydrophobicContact CD2-CD2 3.88Å; V233-L237 HydrophobicContact CG1-CB 4.27Å; V233-L237 HydrophobicContact CG1-CD2 3.49Å; V233-L237 VanDerWaalsContact CG1-CD2 3.49Å; V233-L237 HydrophobicContact CG1-CG 4.44Å; P234-L237 VanDerWaalsContact O-CB 3.25Å; P234-L237 WeakPolarHBondContact O-CB 3.5Å; P234-L237 PolarHBondContact O-N 3.06Å; V235-L237 PolarHBondContact O-N 2.69Å; V235-L237 VanDerWaalsContact O-N 3.1Å; L237-G239 PolarHBondContact O-N 3.36Å; L237-G239 VanDerWaalsContact O-N 3.15Å; L237-M240 HydrophobicContact CD1-SD 3.68Å; L237-M240 HydrophobicContact CD2-SD 4.41Å; L237-M240 HydrophobicContact CG-CG 4.47Å; L237-M240 HydrophobicContact CG-SD 3.65Å; L237-M240 WeakPolarHBondContact O-CB 3.38Å; L237-M240 PolarHBondContact O-N 2.72Å; L237-M240 VanDerWaalsContact O-N 3.12Å; L237-L259 HydrophobicContact CB-CD2 3.72Å; L237-L259 HydrophobicContact CD2-CD2 4.35Å
238	A	84.4	Confident	92.4	Very high	23 Å²	23	38.4 Å²	38.4	19%	0.19	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-54.8	-24.7	167.7	0	0	0	0	0	113.8	V235 S236 M240 P260	V235-A238 WeakPolarHBondContact O-CB 3.33Å; V235-A238 PolarHBondContact O-N 3.08Å; S236-A238 PolarHBondContact O-N 3.43Å; S236-A238 VanDerWaalsContact O-N 3.07Å; A238-M240 PolarHBondContact O-N 3.45Å; A238-P260 HydrophobicContact CB-CG 3.88Å
239	G	87.3	Confident	92.3	Very high	35 Å²	35	39.8 Å²	39.8	36%	0.361	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-69.7	-11.6	177.1	0	0	0	0	0	114.9	G215 S236 L237 L241	G215-G239 CarbonylContact O-C 3.14Å; G215-G239 WeakPolarHBondContact O-CA 3.41Å; S236-G239 PolarHBondContact O-N 2.9Å; L237-G239 PolarHBondContact O-N 3.36Å; L237-G239 VanDerWaalsContact O-N 3.15Å; G239-L241 VanDerWaalsContact C-N 3.26Å; G239-L241 PolarHBondContact O-N 3.25Å
240	M	91.4	Very high	92.3	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	22%	0.224	C	C	.	.			trans	-78.8	71.5	178.9	-60.4	-179.1	71.4	0	0	111.4	G215 L217 V220 L223 L237 A238 A242 L243	G215-M240 PolarHBondContact O-N 3.23Å; L217-M240 HydrophobicContact CB-CE 4.17Å; V220-M240 HydrophobicContact CB-CE 3.57Å; V220-M240 HydrophobicContact CG1-CE 3.52Å; V220-M240 HydrophobicContact CG2-CE 4.32Å; L223-M240 HydrophobicContact CB-CE 4.43Å; L223-M240 HydrophobicContact CD2-CE 4.23Å; L223-M240 HydrophobicContact CD2-SD 4.08Å; L237-M240 HydrophobicContact CD1-SD 3.68Å; L237-M240 HydrophobicContact CD2-SD 4.41Å; L237-M240 HydrophobicContact CG-CG 4.47Å; L237-M240 HydrophobicContact CG-SD 3.65Å; L237-M240 WeakPolarHBondContact O-CB 3.38Å; L237-M240 PolarHBondContact O-N 2.72Å; L237-M240 VanDerWaalsContact O-N 3.12Å; A238-M240 PolarHBondContact O-N 3.45Å; M240-A242 PolarHBondContact O-N 3.48Å; M240-A242 VanDerWaalsContact O-N 3.14Å; M240-L243 HydrophobicContact CB-CB 3.96Å; M240-L243 HydrophobicContact CB-CD2 4.47Å; M240-L243 HydrophobicContact CE-CD1 4.12Å; M240-L243 VanDerWaalsContact O-CB 3.28Å; M240-L243 WeakPolarHBondContact O-CB 3.26Å; M240-L243 PolarHBondContact O-N 3.23Å; M240-L243 HydrophobicContact SD-CD2 4.44Å
241	L	89.7	Confident	92.3	Very high	109 Å²	109	39.9 Å²	39.9	57%	0.571	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-24.6	-171.3	-59.4	-179.5	0	0	0	114.8	G239 A263	G239-L241 VanDerWaalsContact C-N 3.26Å; G239-L241 PolarHBondContact O-N 3.25Å; L241-A263 VanDerWaalsContact O-CB 3.23Å; L241-A263 WeakPolarHBondContact O-CB 3.38Å
242	A	93.3	Very high	92.4	Very high	27 Å²	27	39.7 Å²	39.7	22%	0.223	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	0.2	178.3	0	0	0	0	0	114.4	A218 V220 M240 Q244	A218-A242 WeakPolarHBondContact O-CB 3.34Å; A218-A242 PolarHBondContact O-N 2.79Å; V220-A242 CarbonylContact O-C 3.51Å; V220-A242 VanDerWaalsContact O-C 3.22Å; M240-A242 PolarHBondContact O-N 3.48Å; M240-A242 VanDerWaalsContact O-N 3.14Å; A242-Q244 PolarHBondContact O-N 3.46Å
243	L	93.8	Very high	92.6	Very high	2 Å²	2	35.9 Å²	35.9	1%	0.01	20%	0.199	C	C	.	.			trans	-66.5	123.6	-175.8	-173.8	67.2	0	0	0	110.6	V220 L223 M240 Q245 L246 A263 L264	V220-L243 HydrophobicContact CG1-CD1 4.33Å; V220-L243 VanDerWaalsContact O-CA 3.26Å; V220-L243 WeakPolarHBondContact O-CA 3.16Å; V220-L243 PolarHBondContact O-N 3.37Å; L223-L243 HydrophobicContact CB-CD1 3.74Å; M240-L243 HydrophobicContact CB-CB 3.96Å; M240-L243 HydrophobicContact CB-CD2 4.47Å; M240-L243 HydrophobicContact CE-CD1 4.12Å; M240-L243 VanDerWaalsContact O-CB 3.28Å; M240-L243 WeakPolarHBondContact O-CB 3.26Å; M240-L243 PolarHBondContact O-N 3.23Å; M240-L243 HydrophobicContact SD-CD2 4.44Å; L243-Q245 WeakPolarHBondContact CD1-O 3.39Å; L243-L246 HydrophobicContact CD2-CB 4.34Å; L243-L246 HydrophobicContact CD2-CD1 4.48Å; L243-A263 CarbonylContact O-C 3.39Å; L243-L264 HydrophobicContact CD2-CD1 4.22Å; L243-L264 HydrophobicContact CG-CD1 4.12Å; L243-L264 WeakPolarHBondContact O-CA 3.29Å; L243-L264 PolarHBondContact O-N 3.34Å
244	Q	93.8	Very high	92.7	Very high	87 Å²	87	43.4 Å²	43.4	41%	0.407	23%	0.226	S	C	.	.			trans	-109.7	-38.7	-178.5	-65.7	178.6	-7.5	0	0	111.8	K221 A242 R265 E266	K221-Q244 PolarHBondContact O-N 3.17Å; A242-Q244 PolarHBondContact O-N 3.46Å; Q244-R265 PolarHBondContact O-N 2.83Å; Q244-E266 PolarHBondContact O-N 3.19Å
245	Q	94.1	Very high	92.7	Very high	55 Å²	55	48.2 Å²	48.2	26%	0.257	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	125.6	-175.2	-64	-179.8	-42.8	0	0	110.4	K221 L222 L223 L243 Y247 E266	K221-Q245 PolarHBondContact O-N 2.97Å; L222-Q245 WeakPolarHBondContact CA-O 3.28Å; L222-Q245 HydrophobicContact CG-CB 4.26Å; L223-Q245 PolarHBondContact N-O 3.02Å; L223-Q245 VanDerWaalsContact N-O 3.07Å; L243-Q245 WeakPolarHBondContact CD1-O 3.39Å; Q245-Y247 HydrophobicContact CB-CE2 4.02Å; Q245-E266 HydrophobicContact CG-CB 4.26Å; Q245-E266 HydrophobicContact CG-CG 4.49Å; Q245-E266 PolarHBondContact NE2-OE2 3.04Å
246	L	95.3	Very high	92.8	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	116.2	179.2	178.4	58.3	0	0	0	110.5	L223 L243 L248 L259 L264 E266 F268	L223-L246 HydrophobicContact CB-CD1 4.17Å; L223-L246 HydrophobicContact CD2-CD1 3.92Å; L223-L246 HydrophobicContact CG-CD1 4.07Å; L243-L246 HydrophobicContact CD2-CB 4.34Å; L243-L246 HydrophobicContact CD2-CD1 4.48Å; L246-L248 HydrophobicContact CD1-CD1 4.45Å; L246-L248 HydrophobicContact CD1-CD2 4.23Å; L246-L248 HydrophobicContact CD1-CG 4.08Å; L246-L248 HydrophobicContact CD2-CD1 3.84Å; L246-L248 HydrophobicContact CD2-CG 4.34Å; L246-L248 HydrophobicContact CG-CD1 3.98Å; L246-L248 HydrophobicContact CG-CG 3.94Å; L246-L259 HydrophobicContact CD2-CD1 3.33Å; L246-L264 HydrophobicContact CB-CD1 3.96Å; L246-E266 PolarHBondContact N-O 3.41Å; L246-F268 PolarHBondContact O-N 3.02Å
247	Y	96.1	Very high	92.7	Very high	51 Å²	51	42.3 Å²	42.3	20%	0.2	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	116.9	175.7	-58.1	-94.5	0	0	0	110.8	L222 L223 D224 C225 S226 Q245 F268	L222-Y247 HydrophobicContact CD1-CE2 4.25Å; L222-Y247 HydrophobicContact CD2-CD2 4.43Å; L222-Y247 HydrophobicContact CD2-CE2 4.41Å; L222-Y247 HydrophobicContact CG-CE2 4.13Å; L223-Y247 PolarHBondContact O-N 2.99Å; D224-Y247 HydrophobicContact CB-CD2 4.21Å; D224-Y247 WeakPolarHBondContact OD1-CB 3.38Å; C225-Y247 CarbonylContact C-O 3.47Å; C225-Y247 WeakPolarHBondContact CA-O 3.43Å; C225-Y247 PolarHBondContact N-O 2.88Å; S226-Y247 PolarHBondContact N-O 2.85Å; Q245-Y247 HydrophobicContact CB-CE2 4.02Å; Y247-F268 HydrophobicContact CD1-CB 3.79Å; Y247-F268 AromaticContact CD1-CD2 3.39Å; Y247-F268 HydrophobicContact CD1-CD2 3.39Å; Y247-F268 HydrophobicContact CD1-CE2 4.09Å; Y247-F268 AromaticContact CD1-CG 3.68Å; Y247-F268 HydrophobicContact CD1-CG 3.68Å; Y247-F268 HydrophobicContact CE1-CB 4.37Å; Y247-F268 HydrophobicContact CE1-CD1 4.36Å; Y247-F268 AromaticContact CE1-CD2 3.21Å; Y247-F268 HydrophobicContact CE1-CD2 3.21Å; Y247-F268 AromaticContact CE1-CE2 3.39Å; Y247-F268 HydrophobicContact CE1-CE2 3.39Å; Y247-F268 AromaticContact CE1-CG 3.74Å; Y247-F268 HydrophobicContact CE1-CG 3.74Å; Y247-F268 HydrophobicContact CE1-CZ 4.08Å; Y247-F268 HydrophobicContact CE2-CD2 4.48Å; Y247-F268 HydrophobicContact CG-CB 4.49Å; Y247-F268 HydrophobicContact CG-CD2 4.11Å; Y247-F268 AromaticContact CZ-CD2 3.81Å; Y247-F268 AromaticContact CZ-CE2 3.68Å
248	L	96.4	Very high	92.5	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	22%	0.22	C	C	.	.			trans	-124.8	10.6	179.9	-66.5	171	0	0	0	112	C225 L230 V233 L246 N251 L253 P257 F268 A269 N272	C225-L248 HydrophobicContact CB-CD2 4.18Å; L230-L248 HydrophobicContact CD1-CD2 4.28Å; V233-L248 HydrophobicContact CG2-CD1 4.08Å; V233-L248 HydrophobicContact CG2-CD2 3.99Å; L246-L248 HydrophobicContact CD1-CD1 4.45Å; L246-L248 HydrophobicContact CD1-CD2 4.23Å; L246-L248 HydrophobicContact CD1-CG 4.08Å; L246-L248 HydrophobicContact CD2-CD1 3.84Å; L246-L248 HydrophobicContact CD2-CG 4.34Å; L246-L248 HydrophobicContact CG-CD1 3.98Å; L246-L248 HydrophobicContact CG-CG 3.94Å; L248-N251 PolarHBondContact O-ND2 3.04Å; L248-L253 HydrophobicContact CB-CD1 3.9Å; L248-L253 HydrophobicContact CD1-CD1 3.95Å; L248-L253 HydrophobicContact CD2-CD1 4.45Å; L248-L253 HydrophobicContact CG-CD1 4.33Å; L248-P257 HydrophobicContact CD1-CG 4.15Å; L248-F268 CarbonylContact C-O 3.56Å; L248-F268 WeakPolarHBondContact CA-O 3.46Å; L248-F268 PolarHBondContact N-O 3Å; L248-A269 HydrophobicContact CB-CB 4.43Å; L248-N272 PolarHBondContact O-ND2 2.77Å
249	Q	96.3	Very high	92.3	Very high	39 Å²	39	44.9 Å²	44.9	18%	0.182	21%	0.212	C	C	.	.			trans	-61	150.3	-176.5	64.6	-175.3	6.7	0	0	112.6	S226 H227 N251 F268 G270	S226-Q249 CarbonylContact C-O 3.56Å; S226-Q249 WeakPolarHBondContact CA-O 3.47Å; S226-Q249 WeakPolarHBondContact CB-O 3.46Å; H227-Q249 PolarHBondContact N-O 2.99Å; Q249-N251 PolarHBondContact O-ND2 2.98Å; Q249-F268 PolarHBondContact N-O 3.13Å; Q249-F268 VanDerWaalsContact N-O 3.15Å; Q249-G270 CarbonylContact C-O 3.39Å; Q249-G270 WeakPolarHBondContact CA-O 3.37Å
250	H	97	Very high	91.5	Very high	66 Å²	66	46.9 Å²	46.9	31%	0.306	22%	0.219	S	C	.	.	S	Bend	trans	56.8	58.1	179.9	-63.6	-81.3	0	0	0	112.9	H227 N228 G270 N271	H227-H250 VanDerWaalsContact CA-O 3.26Å; H227-H250 WeakPolarHBondContact CA-O 3.39Å; H227-H250 HydrophobicContact CB-CB 4.39Å; H227-H250 AromaticContact CD2-CD2 3.93Å; H227-H250 AromaticContact CE1-CD2 3.16Å; H227-H250 PolarHBondContact CE1-CD2 2.98Å; H227-H250 AromaticContact CE1-CG 3.35Å; H227-H250 AromaticContact CE1-ND1 3.91Å; H227-H250 AromaticContact CE1-NE2 3.68Å; H227-H250 PolarHBondContact N-O 3.1Å; H227-H250 AromaticContact ND1-CD2 3.88Å; H227-H250 AromaticContact ND1-CG 3.64Å; H227-H250 AromaticContact NE2-CD2 3.16Å; H227-H250 PolarHBondContact NE2-CD2 3.06Å; H227-H250 AromaticContact NE2-CG 3.74Å; H227-H250 AromaticContact NE2-NE2 3.85Å; N228-H250 PolarHBondContact N-O 3.28Å; N228-H250 VanDerWaalsContact N-O 3.12Å; H250-G270 PolarHBondContact N-O 2.91Å; H250-N271 WeakPolarHBondContact CA-O 3.37Å; H250-N271 HydrophobicContact CB-CB 4.43Å; H250-N271 PolarHBondContact CE1-OD1 3.18Å; H250-N271 PolarHBondContact N-O 2.94Å; H250-N271 WeakPolarHBondContact ND1-CB 3.22Å
251	N	97.6	Very high	90.8	Very high	12 Å²	12	47.1 Å²	47.1	6%	0.064	22%	0.221	C	C	.	.	S	Bend	trans	-128.9	-166.5	174.6	-85.3	-74.4	0	0	0	110.2	C225 N228 Q229 L230 L248 Q249 L253 N271 N272	C225-N251 PolarHBondContact O-ND2 3.43Å; N228-N251 VanDerWaalsContact CA-OD1 3.3Å; N228-N251 WeakPolarHBondContact CA-OD1 3.27Å; N228-N251 WeakPolarHBondContact CB-OD1 3.34Å; N228-N251 PolarHBondContact N-OD1 2.66Å; N228-N251 PolarHBondContact O-OD1 3.04Å; Q229-N251 PolarHBondContact N-OD1 2.96Å; L230-N251 HydrophobicContact CB-CB 4.23Å; L230-N251 VanDerWaalsContact CB-OD1 3.28Å; L230-N251 WeakPolarHBondContact CB-OD1 3.2Å; L230-N251 WeakPolarHBondContact CG-OD1 3.37Å; L230-N251 PolarHBondContact N-OD1 3.21Å; L248-N251 PolarHBondContact O-ND2 3.04Å; Q249-N251 PolarHBondContact O-ND2 2.98Å; N251-L253 HydrophobicContact CB-CG 4.2Å; N251-N271 PolarHBondContact N-O 3.15Å; N251-N272 VanDerWaalsContact CA-OD1 3.26Å; N251-N272 WeakPolarHBondContact CA-OD1 3.29Å; N251-N272 WeakPolarHBondContact CB-OD1 3.48Å; N251-N272 PolarHBondContact N-OD1 2.9Å; N251-N272 PolarHBondContact O-OD1 3.04Å
252	K	96.6	Very high	90.5	Very high	84 Å²	84	45.9 Å²	45.9	37%	0.365	22%	0.219	S	C	.	.			trans	-116.9	28.1	179.5	-61.1	176.2	-178.6	169.4	0	111.5	Q229 L230 T231 R254 N272	Q229-K252 HydrophobicContact CB-CD 4.39Å; L230-K252 CarbonylContact O-C 3.54Å; L230-K252 VanDerWaalsContact O-CA 3.26Å; L230-K252 WeakPolarHBondContact O-CA 3.21Å; L230-K252 WeakPolarHBondContact O-CB 3.13Å; L230-K252 PolarHBondContact O-N 3.45Å; T231-K252 HydrophobicContact CG2-CB 4.22Å; K252-R254 PolarHBondContact O-N 3.16Å; K252-N272 PolarHBondContact N-OD1 3.11Å
253	L	95.5	Very high	90.3	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.005	22%	0.217	C	C	.	.			trans	-66.3	130.4	-177.2	-60.3	176.4	0	0	0	110.2	L230 V233 L248 N251 N272 Q273 V274	L230-L253 HydrophobicContact CB-CD2 4.16Å; L230-L253 PolarHBondContact O-N 2.98Å; V233-L253 HydrophobicContact CG2-CD1 4.4Å; V233-L253 HydrophobicContact CG2-CD2 4.01Å; L248-L253 HydrophobicContact CB-CD1 3.9Å; L248-L253 HydrophobicContact CD1-CD1 3.95Å; L248-L253 HydrophobicContact CD2-CD1 4.45Å; L248-L253 HydrophobicContact CG-CD1 4.33Å; N251-L253 HydrophobicContact CB-CG 4.2Å; L253-N272 HydrophobicContact CB-CB 4.22Å; L253-N272 VanDerWaalsContact CB-OD1 3.3Å; L253-N272 WeakPolarHBondContact CB-OD1 3.44Å; L253-N272 WeakPolarHBondContact CG-OD1 3.32Å; L253-N272 PolarHBondContact N-OD1 2.81Å; L253-Q273 CarbonylContact O-C 3.22Å; L253-Q273 VanDerWaalsContact O-CA 3.23Å; L253-Q273 WeakPolarHBondContact O-CA 3.3Å; L253-Q273 PolarHBondContact O-N 3.26Å; L253-V274 PolarHBondContact O-N 3.02Å; L253-V274 VanDerWaalsContact O-N 3.17Å
254	R	92.4	Very high	90.3	Very high	166 Å²	166	45.6 Å²	45.6	63%	0.626	22%	0.217	S	C	*	.	S	Bend	trans	-96.8	-17.9	176	-67.1	-173.9	178.3	-170.3	-0.1	113.9	K252 Q273 V274	K252-R254 PolarHBondContact O-N 3.16Å; R254-Q273 WeakPolarHBondContact CA-O 3.48Å; R254-Q273 HydrophobicContact CG-CB 4.36Å; R254-V274 WeakPolarHBondContact O-CA 3.29Å
255	R	91	Very high	90.2	Very high	123 Å²	123	46.4 Å²	46.4	46%	0.464	22%	0.216	S	C	.	.	S	Bend	trans	-141.3	160.3	-177.6	-68.5	-171.3	-65.8	-163.7	0.2	109.8	E278	R255-E278 WeakPolarHBondContact CD-OE1 3.32Å; R255-E278 IonicContact NH1-OE1 2.85Å
256	L	89.4	Confident	90.3	Very high	4 Å²	4	46.3 Å²	46.3	2%	0.021	22%	0.216	C	C	.	.			trans	-77.8	148.8	172.1	-78.1	177.6	0	0	0	111.5	A269 L277 Q281 L285 L293	L256-A269 HydrophobicContact CD2-CB 4.07Å; L256-L277 HydrophobicContact CD1-CD2 3.52Å; L256-L277 HydrophobicContact CG-CD2 4.15Å; L256-Q281 HydrophobicContact CB-CB 4.32Å; L256-Q281 VanDerWaalsContact O-CD 3.29Å; L256-Q281 WeakPolarHBondContact O-CG 3.48Å; L256-L285 HydrophobicContact CD1-CD1 4.47Å; L256-L293 HydrophobicContact CD1-CD1 4.37Å; L256-L293 HydrophobicContact CD1-CD2 4.11Å; L256-L293 HydrophobicContact CD2-CD2 3.67Å; L256-L293 HydrophobicContact CG-CD2 4.29Å
257	P	85.6	Confident	90.3	Very high	4 Å²	4	46.4 Å²	46.4	3%	0.026	22%	0.216	C	C	.	.			trans	-75.6	140.7	-177.4	35.6	-39.6	0	0	0	111.3	V233 L248 L259	V233-P257 HydrophobicContact CB-CB 3.74Å; V233-P257 HydrophobicContact CG1-CB 4.06Å; V233-P257 HydrophobicContact CG2-CB 4.1Å; L248-P257 HydrophobicContact CD1-CG 4.15Å; P257-L259 HydrophobicContact CB-CD1 3.79Å; P257-L259 HydrophobicContact CB-CD2 4.37Å; P257-L259 HydrophobicContact CB-CG 3.77Å; P257-L259 HydrophobicContact CG-CD1 3.5Å; P257-L259 HydrophobicContact CG-CG 3.94Å; P257-L259 PolarHBondContact O-N 3.16Å; P257-L259 VanDerWaalsContact O-N 3.13Å
258	Q	85.1	Confident	90.3	Very high	74 Å²	74	45.2 Å²	45.2	35%	0.346	21%	0.212	S	C	.	.			trans	-80.7	88.9	174.3	-67.8	-178.2	-9.1	0	0	109.9	P260 Q281	Q258-P260 WeakPolarHBondContact O-CD 3.04Å; Q258-Q281 HydrophobicContact CG-CG 3.95Å
259	L	81.6	Confident	90.3	Very high	3 Å²	3	45.2 Å²	45.2	2%	0.016	21%	0.212	C	C	.	.			trans	-120.9	88	-173.4	-59.6	174.9	0	0	0	111.3	L237 L246 P257 A261 L264 C284	L237-L259 HydrophobicContact CB-CD2 3.72Å; L237-L259 HydrophobicContact CD2-CD2 4.35Å; L246-L259 HydrophobicContact CD2-CD1 3.33Å; P257-L259 HydrophobicContact CB-CD1 3.79Å; P257-L259 HydrophobicContact CB-CD2 4.37Å; P257-L259 HydrophobicContact CB-CG 3.77Å; P257-L259 HydrophobicContact CG-CD1 3.5Å; P257-L259 HydrophobicContact CG-CG 3.94Å; P257-L259 PolarHBondContact O-N 3.16Å; P257-L259 VanDerWaalsContact O-N 3.13Å; L259-A261 PolarHBondContact O-N 3.48Å; L259-L264 HydrophobicContact CB-CD2 4.44Å; L259-L264 HydrophobicContact CD1-CD2 4.44Å; L259-C284 VanDerWaalsContact O-O 3.12Å
260	P	70.4	Confident	90.2	Very high	77 Å²	77	43.4 Å²	43.4	50%	0.5	20%	0.204	S	C	.	.			trans	-73.1	56.5	170.4	31.9	-35.9	0	0	0	110.9	A238 Q258 P262	A238-P260 HydrophobicContact CB-CG 3.88Å; Q258-P260 WeakPolarHBondContact O-CD 3.04Å; P260-P262 WeakPolarHBondContact O-CD 3.31Å
261	A	76.1	Confident	90.1	Very high	5 Å²	5	42.5 Å²	42.5	4%	0.041	20%	0.201	C	C	.	.			trans	-92.1	106.7	-179.2	0	0	0	0	0	109.5	L259 A263 L264	L259-A261 PolarHBondContact O-N 3.48Å; A261-A263 PolarHBondContact O-N 3.26Å; A261-L264 HydrophobicContact CB-CB 3.81Å; A261-L264 HydrophobicContact CB-CD2 4.35Å; A261-L264 WeakPolarHBondContact O-CB 3.32Å; A261-L264 PolarHBondContact O-N 3.34Å; A261-L264 VanDerWaalsContact O-N 3.11Å
262	P	82.8	Confident	90.1	Very high	83 Å²	83	42.3 Å²	42.3	54%	0.539	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-24.4	-170.8	26.9	-35.4	0	0	0	113.5	P260 R265 A287	P260-P262 WeakPolarHBondContact O-CD 3.31Å; P262-R265 PolarHBondContact O-NH1 2.96Å; P262-A287 WeakPolarHBondContact O-CB 3.47Å
263	A	90.6	Very high	90	Very high	21 Å²	21	42.2 Å²	42.2	17%	0.174	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-8.5	178.4	0	0	0	0	0	113.7	L241 L243 A261 R265	L241-A263 VanDerWaalsContact O-CB 3.23Å; L241-A263 WeakPolarHBondContact O-CB 3.38Å; L243-A263 CarbonylContact O-C 3.39Å; A261-A263 PolarHBondContact O-N 3.26Å; A263-R265 WeakPolarHBondContact O-CG 3.39Å; A263-R265 PolarHBondContact O-N 3.1Å
264	L	92.3	Very high	90	Very high	2 Å²	2	42.1 Å²	42.1	1%	0.01	20%	0.201	C	C	.	.			trans	-69.4	123.8	-173.4	-170.9	63.6	0	0	0	109.9	L243 L246 L259 A261 V267 L285 A287 V288	L243-L264 HydrophobicContact CD2-CD1 4.22Å; L243-L264 HydrophobicContact CG-CD1 4.12Å; L243-L264 WeakPolarHBondContact O-CA 3.29Å; L243-L264 PolarHBondContact O-N 3.34Å; L246-L264 HydrophobicContact CB-CD1 3.96Å; L259-L264 HydrophobicContact CB-CD2 4.44Å; L259-L264 HydrophobicContact CD1-CD2 4.44Å; A261-L264 HydrophobicContact CB-CB 3.81Å; A261-L264 HydrophobicContact CB-CD2 4.35Å; A261-L264 WeakPolarHBondContact O-CB 3.32Å; A261-L264 PolarHBondContact O-N 3.34Å; A261-L264 VanDerWaalsContact O-N 3.11Å; L264-V267 HydrophobicContact CD1-CG2 4.17Å; L264-V267 HydrophobicContact CD2-CG2 3.6Å; L264-V267 HydrophobicContact CG-CG2 3.84Å; L264-L285 HydrophobicContact CD2-CD2 4.07Å; L264-A287 CarbonylContact O-C 3.2Å; L264-A287 VanDerWaalsContact O-C 3.24Å; L264-V288 HydrophobicContact CD2-CG2 4.29Å; L264-V288 HydrophobicContact CG-CG2 4.2Å
265	R	92.9	Very high	89.9	Confident	105 Å²	105	38.5 Å²	38.5	40%	0.396	19%	0.191	S	C	.	.			trans	-114.9	-39.5	-178	-62.5	-59.6	176.8	-110.6	-3.4	111.6	Q244 P262 A263 A287 V288 T289 L290	Q244-R265 PolarHBondContact O-N 2.83Å; P262-R265 PolarHBondContact O-NH1 2.96Å; A263-R265 WeakPolarHBondContact O-CG 3.39Å; A263-R265 PolarHBondContact O-N 3.1Å; R265-A287 VanDerWaalsContact NH1-CB 3.28Å; R265-A287 PolarHBondContact NH1-O 3.4Å; R265-V288 WeakPolarHBondContact O-CG1 3.36Å; R265-T289 PolarHBondContact O-N 3.03Å; R265-T289 PolarHBondContact O-OG1 3.36Å; R265-T289 VanDerWaalsContact O-OG1 3.11Å; R265-L290 PolarHBondContact O-N 3.02Å
266	E	94.8	Very high	89.8	Confident	53 Å²	53	37.6 Å²	37.6	25%	0.248	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	124.8	-171.4	-54.1	-179.3	170.6	0	0	110.5	Q244 Q245 L246 F268 L290	Q244-E266 PolarHBondContact O-N 3.19Å; Q245-E266 HydrophobicContact CG-CB 4.26Å; Q245-E266 HydrophobicContact CG-CG 4.49Å; Q245-E266 PolarHBondContact NE2-OE2 3.04Å; L246-E266 PolarHBondContact N-O 3.41Å; E266-F268 HydrophobicContact CB-CD2 4.43Å; E266-F268 HydrophobicContact CB-CE2 3.7Å; E266-F268 HydrophobicContact CB-CZ 4.3Å; E266-L290 HydrophobicContact CB-CB 4.46Å; E266-L290 HydrophobicContact CG-CB 4.18Å
267	V	95.6	Very high	89.8	Confident	2 Å²	2	38 Å²	38	1%	0.012	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	117.7	177.2	-178.3	0	0	0	0	109.1	L264 A269 V288 L290 L291 E292	L264-V267 HydrophobicContact CD1-CG2 4.17Å; L264-V267 HydrophobicContact CD2-CG2 3.6Å; L264-V267 HydrophobicContact CG-CG2 3.84Å; V267-A269 HydrophobicContact CG1-CB 4.5Å; V267-V288 HydrophobicContact CG2-CG1 4.39Å; V267-V288 HydrophobicContact CG2-CG2 3.99Å; V267-L290 PolarHBondContact N-O 3.41Å; V267-L291 HydrophobicContact CB-CD1 4.01Å; V267-L291 HydrophobicContact CG1-CD1 4.15Å; V267-E292 PolarHBondContact O-N 3.21Å
268	F	96.1	Very high	89.8	Confident	26 Å²	26	40.9 Å²	40.9	11%	0.114	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	96.6	178.2	-59.9	-89.5	0	0	0	110	L246 Y247 L248 Q249 E266 L290 E292	L246-F268 PolarHBondContact O-N 3.02Å; Y247-F268 HydrophobicContact CD1-CB 3.79Å; Y247-F268 AromaticContact CD1-CD2 3.39Å; Y247-F268 HydrophobicContact CD1-CD2 3.39Å; Y247-F268 HydrophobicContact CD1-CE2 4.09Å; Y247-F268 AromaticContact CD1-CG 3.68Å; Y247-F268 HydrophobicContact CD1-CG 3.68Å; Y247-F268 HydrophobicContact CE1-CB 4.37Å; Y247-F268 HydrophobicContact CE1-CD1 4.36Å; Y247-F268 AromaticContact CE1-CD2 3.21Å; Y247-F268 HydrophobicContact CE1-CD2 3.21Å; Y247-F268 AromaticContact CE1-CE2 3.39Å; Y247-F268 HydrophobicContact CE1-CE2 3.39Å; Y247-F268 AromaticContact CE1-CG 3.74Å; Y247-F268 HydrophobicContact CE1-CG 3.74Å; Y247-F268 HydrophobicContact CE1-CZ 4.08Å; Y247-F268 HydrophobicContact CE2-CD2 4.48Å; Y247-F268 HydrophobicContact CG-CB 4.49Å; Y247-F268 HydrophobicContact CG-CD2 4.11Å; Y247-F268 AromaticContact CZ-CD2 3.81Å; Y247-F268 AromaticContact CZ-CE2 3.68Å; L248-F268 CarbonylContact C-O 3.56Å; L248-F268 WeakPolarHBondContact CA-O 3.46Å; L248-F268 PolarHBondContact N-O 3Å; Q249-F268 PolarHBondContact N-O 3.13Å; Q249-F268 VanDerWaalsContact N-O 3.15Å; E266-F268 HydrophobicContact CB-CD2 4.43Å; E266-F268 HydrophobicContact CB-CE2 3.7Å; E266-F268 HydrophobicContact CB-CZ 4.3Å; F268-L290 HydrophobicContact CD1-CD2 4.17Å; F268-L290 HydrophobicContact CE1-CD1 4.4Å; F268-L290 HydrophobicContact CE1-CD2 3.65Å; F268-L290 HydrophobicContact CZ-CD1 4.25Å; F268-L290 HydrophobicContact CZ-CD2 3.85Å; F268-E292 HydrophobicContact CD1-CB 4Å; F268-E292 WeakPolarHBondContact CD1-OE2 3.42Å
269	A	96.1	Very high	89.5	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.21	C	C	.	.			trans	-118.3	27.9	-178	0	0	0	0	0	112.6	L248 L256 V267 N272 E292 L293 N296	L248-A269 HydrophobicContact CB-CB 4.43Å; L256-A269 HydrophobicContact CD2-CB 4.07Å; V267-A269 HydrophobicContact CG1-CB 4.5Å; A269-N272 PolarHBondContact O-ND2 2.96Å; A269-N272 VanDerWaalsContact O-ND2 3.08Å; A269-E292 CarbonylContact C-O 3.52Å; A269-E292 WeakPolarHBondContact CA-O 3.42Å; A269-E292 PolarHBondContact N-O 3.08Å; A269-L293 HydrophobicContact CB-CD2 4.01Å; A269-N296 PolarHBondContact O-ND2 2.99Å
270	G	94.5	Very high	89.5	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.238	C	C	.	.			trans	-68.4	164.1	177.3	0	0	0	0	0	114.1	Q249 H250 N272 E292 R294	Q249-G270 CarbonylContact C-O 3.39Å; Q249-G270 WeakPolarHBondContact CA-O 3.37Å; H250-G270 PolarHBondContact N-O 2.91Å; G270-N272 PolarHBondContact O-N 2.74Å; G270-N272 PolarHBondContact O-ND2 3.5Å; G270-N272 VanDerWaalsContact O-ND2 3.1Å; G270-E292 PolarHBondContact N-O 3.32Å; G270-R294 CarbonylContact C-O 3.21Å; G270-R294 WeakPolarHBondContact CA-O 3.35Å
271	N	95.1	Very high	90.1	Very high	47 Å²	47	41.9 Å²	41.9	25%	0.251	22%	0.215	S	C	.	.	S	Bend	trans	55.2	53.5	178.8	-70.6	-101	0	0	0	112.2	H250 N251 R294 D295	H250-N271 WeakPolarHBondContact CA-O 3.37Å; H250-N271 HydrophobicContact CB-CB 4.43Å; H250-N271 PolarHBondContact CE1-OD1 3.18Å; H250-N271 PolarHBondContact N-O 2.94Å; H250-N271 WeakPolarHBondContact ND1-CB 3.22Å; N251-N271 PolarHBondContact N-O 3.15Å; N271-R294 PolarHBondContact N-O 3.06Å; N271-D295 WeakPolarHBondContact CA-O 3.47Å; N271-D295 HydrophobicContact CB-CB 4.33Å; N271-D295 PolarHBondContact N-O 2.83Å; N271-D295 PolarHBondContact ND2-OD2 2.88Å
272	N	96.9	Very high	90.4	Very high	9 Å²	9	41.8 Å²	41.8	5%	0.048	21%	0.213	C	C	.	.	S	Bend	trans	-129.1	-167.3	178.9	-87.5	-74.8	0	0	0	110.2	L248 N251 K252 L253 A269 G270 V274 D295 N296	L248-N272 PolarHBondContact O-ND2 2.77Å; N251-N272 VanDerWaalsContact CA-OD1 3.26Å; N251-N272 WeakPolarHBondContact CA-OD1 3.29Å; N251-N272 WeakPolarHBondContact CB-OD1 3.48Å; N251-N272 PolarHBondContact N-OD1 2.9Å; N251-N272 PolarHBondContact O-OD1 3.04Å; K252-N272 PolarHBondContact N-OD1 3.11Å; L253-N272 HydrophobicContact CB-CB 4.22Å; L253-N272 VanDerWaalsContact CB-OD1 3.3Å; L253-N272 WeakPolarHBondContact CB-OD1 3.44Å; L253-N272 WeakPolarHBondContact CG-OD1 3.32Å; L253-N272 PolarHBondContact N-OD1 2.81Å; A269-N272 PolarHBondContact O-ND2 2.96Å; A269-N272 VanDerWaalsContact O-ND2 3.08Å; G270-N272 PolarHBondContact O-N 2.74Å; G270-N272 PolarHBondContact O-ND2 3.5Å; G270-N272 VanDerWaalsContact O-ND2 3.1Å; N272-V274 HydrophobicContact CB-CG2 4.27Å; N272-D295 PolarHBondContact N-O 2.9Å; N272-N296 VanDerWaalsContact CA-OD1 3.31Å; N272-N296 WeakPolarHBondContact CA-OD1 3.27Å; N272-N296 WeakPolarHBondContact CB-OD1 3.43Å; N272-N296 PolarHBondContact O-OD1 2.84Å
273	Q	95.5	Very high	90.4	Very high	81 Å²	81	41.1 Å²	41.1	38%	0.379	21%	0.211	S	C	.	.			trans	-116.3	30	-179.8	-59.8	177.6	13	0	0	111.4	L253 R254 E275 N296	L253-Q273 CarbonylContact O-C 3.22Å; L253-Q273 VanDerWaalsContact O-CA 3.23Å; L253-Q273 WeakPolarHBondContact O-CA 3.3Å; L253-Q273 PolarHBondContact O-N 3.26Å; R254-Q273 WeakPolarHBondContact CA-O 3.48Å; R254-Q273 HydrophobicContact CG-CB 4.36Å; Q273-E275 PolarHBondContact O-N 2.92Å; Q273-N296 PolarHBondContact N-OD1 3.3Å
274	V	95.3	Very high	90	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.212	C	C	.	.			trans	-70.1	119.2	-177.1	-178.3	0	0	0	0	109.6	L253 R254 N272 L277 N296 K297 I298	L253-V274 PolarHBondContact O-N 3.02Å; L253-V274 VanDerWaalsContact O-N 3.17Å; R254-V274 WeakPolarHBondContact O-CA 3.29Å; N272-V274 HydrophobicContact CB-CG2 4.27Å; V274-L277 HydrophobicContact CG1-CD2 4.12Å; V274-N296 HydrophobicContact CB-CB 4.28Å; V274-N296 WeakPolarHBondContact CB-OD1 3.41Å; V274-N296 WeakPolarHBondContact CG2-OD1 3.32Å; V274-N296 PolarHBondContact N-OD1 2.71Å; V274-K297 CarbonylContact O-C 3.46Å; V274-K297 WeakPolarHBondContact O-CA 3.5Å; V274-K297 PolarHBondContact O-N 3.19Å; V274-I298 HydrophobicContact CB-CG1 4.49Å; V274-I298 HydrophobicContact CG1-CD1 4.5Å; V274-I298 HydrophobicContact CG1-CG1 4.23Å; V274-I298 WeakPolarHBondContact O-CG1 3.2Å; V274-I298 PolarHBondContact O-N 3.39Å; V274-I298 VanDerWaalsContact O-N 3.13Å
275	E	90.9	Very high	89.6	Confident	90 Å²	90	41.7 Å²	41.7	42%	0.421	21%	0.213	S	C	.	.			trans	-101.2	-37.2	-178.8	-69.7	-175.4	-153.8	0	0	113	Q273 K297	Q273-E275 PolarHBondContact O-N 2.92Å; E275-K297 HydrophobicContact CG-CB 3.88Å
276	L	89.3	Confident	89.1	Confident	104 Å²	104	40 Å²	40	55%	0.545	22%	0.218	S	C	.	.			trans	-129.9	142.8	-174.2	-64	173.3	0	0	0	110.2
277	L	88.4	Confident	88.8	Confident	13 Å²	13	38.3 Å²	38.3	7%	0.068	21%	0.213	C	C	.	.			trans	-106.4	110	170.3	-58.3	176.5	0	0	0	107.4	L256 V274 L282 L293 I298 L301 P302	L256-L277 HydrophobicContact CD1-CD2 3.52Å; L256-L277 HydrophobicContact CG-CD2 4.15Å; V274-L277 HydrophobicContact CG1-CD2 4.12Å; L277-L282 HydrophobicContact CB-CD1 4.29Å; L277-L293 HydrophobicContact CD1-CD1 4.32Å; L277-L293 HydrophobicContact CD2-CD1 4.06Å; L277-I298 HydrophobicContact CD1-CD1 4.36Å; L277-I298 HydrophobicContact CD1-CG2 4.38Å; L277-I298 HydrophobicContact CD2-CD1 4.16Å; L277-I298 HydrophobicContact CG-CD1 4.37Å; L277-I298 HydrophobicContact CG-CG2 4.44Å; L277-L301 HydrophobicContact CD1-CD2 3.74Å; L277-P302 HydrophobicContact CB-CG 3.9Å; L277-P302 WeakPolarHBondContact O-CG 3.45Å
278	E	85.4	Confident	88.6	Confident	63 Å²	63	38.3 Å²	38.3	29%	0.294	21%	0.212	S	C	.	.			trans	-85.9	143.2	-180	-64.9	169.2	-171.3	0	0	110.5	R255 E280 Q281 L282	R255-E278 WeakPolarHBondContact CD-OE1 3.32Å; R255-E278 IonicContact NH1-OE1 2.85Å; E278-E280 VanDerWaalsContact C-N 3.27Å; E278-E280 PolarHBondContact O-N 3.12Å; E278-Q281 HydrophobicContact CB-CG 4.27Å; E278-Q281 PolarHBondContact O-N 3.28Å; E278-Q281 VanDerWaalsContact O-N 3.17Å; E278-Q281 PolarHBondContact OE2-NE2 2.99Å; E278-L282 PolarHBondContact O-N 3.37Å
279	A	79.4	Confident	88.4	Confident	42 Å²	42	39 Å²	39	35%	0.347	22%	0.219	S	C	.	.	H	α-helix	trans	-57.7	-38.5	-178.9	0	0	0	0	0	112.8	Q281 L282 S283 E304	A279-Q281 PolarHBondContact O-N 3.33Å; A279-L282 PolarHBondContact O-N 2.98Å; A279-S283 WeakPolarHBondContact O-CB 3.26Å; A279-S283 PolarHBondContact O-N 2.95Å; A279-E304 HydrophobicContact CB-CB 4.19Å; A279-E304 HydrophobicContact CB-CG 3.77Å
280	E	81.1	Confident	88.4	Confident	129 Å²	129	40.2 Å²	40.2	60%	0.603	23%	0.225	S	C	*	.	H	α-helix	trans	-59.4	-45	177.9	-63.5	175.9	-175	0	0	111.6	E278 S283 C284	E278-E280 VanDerWaalsContact C-N 3.27Å; E278-E280 PolarHBondContact O-N 3.12Å; E280-S283 PolarHBondContact O-N 2.92Å; E280-S283 PolarHBondContact O-OG 3.06Å; E280-C284 PolarHBondContact O-N 2.89Å; E280-C284 PolarHBondContact O-SG 3.29Å; E280-C284 VanDerWaalsContact O-SG 3.4Å
281	Q	82.3	Confident	88.4	Confident	4 Å²	4	40.2 Å²	40.2	2%	0.019	23%	0.225	C	C	.	.	H	α-helix	trans	-66.1	-41.9	179.9	-65.5	160.3	0.3	0	0	111.4	L256 Q258 E278 A279 S283 C284	L256-Q281 HydrophobicContact CB-CB 4.32Å; L256-Q281 VanDerWaalsContact O-CD 3.29Å; L256-Q281 WeakPolarHBondContact O-CG 3.48Å; Q258-Q281 HydrophobicContact CG-CG 3.95Å; E278-Q281 HydrophobicContact CB-CG 4.27Å; E278-Q281 PolarHBondContact O-N 3.28Å; E278-Q281 VanDerWaalsContact O-N 3.17Å; E278-Q281 PolarHBondContact OE2-NE2 2.99Å; A279-Q281 PolarHBondContact O-N 3.33Å; Q281-S283 VanDerWaalsContact C-N 3.34Å; Q281-C284 PolarHBondContact O-N 2.91Å
282	L	83.3	Confident	88.4	Confident	3 Å²	3	38.7 Å²	38.7	2%	0.016	22%	0.217	C	C	.	.	H	α-helix	trans	-66.6	-36.8	177.4	-65.3	175.9	0	0	0	111.7	L277 E278 A279 C284 L285 P302 L305 L308	L277-L282 HydrophobicContact CB-CD1 4.29Å; E278-L282 PolarHBondContact O-N 3.37Å; A279-L282 PolarHBondContact O-N 2.98Å; L282-C284 PolarHBondContact O-N 3.45Å; L282-L285 PolarHBondContact O-N 3.37Å; L282-P302 HydrophobicContact CD1-CG 3.41Å; L282-P302 VanDerWaalsContact CD1-CG 3.41Å; L282-L305 HydrophobicContact CD1-CB 4.36Å; L282-L305 HydrophobicContact CD1-CD1 4.07Å; L282-L305 HydrophobicContact CD2-CD1 3.77Å; L282-L308 HydrophobicContact CD2-CD1 4.39Å; L282-L308 VanDerWaalsContact O-CD2 3.3Å; L282-L308 WeakPolarHBondContact O-CD2 3.47Å
283	S	82	Confident	88.4	Confident	69 Å²	69	38.2 Å²	38.2	48%	0.483	21%	0.214	S	C	.	.	H	α-helix	trans	-60.2	-33.4	178.2	80.3	0	0	0	0	112.7	A279 E280 Q281 L285	A279-S283 WeakPolarHBondContact O-CB 3.26Å; A279-S283 PolarHBondContact O-N 2.95Å; E280-S283 PolarHBondContact O-N 2.92Å; E280-S283 PolarHBondContact O-OG 3.06Å; Q281-S283 VanDerWaalsContact C-N 3.34Å; S283-L285 VanDerWaalsContact C-N 3.29Å; S283-L285 PolarHBondContact O-N 3.38Å
284	C	83.8	Confident	88.2	Confident	31 Å²	31	37.5 Å²	37.5	21%	0.209	21%	0.208	C	C	.	.	H	α-helix	trans	-70.8	-22.5	176.9	-62.2	0	0	0	0	113.2	L259 E280 Q281 L282 S286	L259-C284 VanDerWaalsContact O-O 3.12Å; E280-C284 PolarHBondContact O-N 2.89Å; E280-C284 PolarHBondContact O-SG 3.29Å; E280-C284 VanDerWaalsContact O-SG 3.4Å; Q281-C284 PolarHBondContact O-N 2.91Å; L282-C284 PolarHBondContact O-N 3.45Å; C284-S286 VanDerWaalsContact C-N 3.35Å; C284-S286 PolarHBondContact O-N 2.95Å
285	L	83.2	Confident	88	Confident	4 Å²	4	39.8 Å²	39.8	2%	0.021	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	20.7	-174.5	-60.5	177.5	0	0	0	113.7	L256 L264 L282 S283 A287 V288 L308	L256-L285 HydrophobicContact CD1-CD1 4.47Å; L264-L285 HydrophobicContact CD2-CD2 4.07Å; L282-L285 PolarHBondContact O-N 3.37Å; S283-L285 VanDerWaalsContact C-N 3.29Å; S283-L285 PolarHBondContact O-N 3.38Å; L285-A287 PolarHBondContact O-N 2.82Å; L285-V288 HydrophobicContact CB-CB 4.41Å; L285-V288 HydrophobicContact CB-CG2 3.87Å; L285-V288 HydrophobicContact CD2-CG2 4.02Å; L285-V288 HydrophobicContact CG-CG2 4.46Å; L285-V288 WeakPolarHBondContact O-CB 3.22Å; L285-V288 WeakPolarHBondContact O-CG2 3.47Å; L285-V288 PolarHBondContact O-N 3.44Å; L285-L308 HydrophobicContact CB-CD2 4.21Å; L285-L308 WeakPolarHBondContact O-CD2 3.2Å
286	S	82.3	Confident	88.2	Confident	71 Å²	71	35.5 Å²	35.5	50%	0.497	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-21.5	-175.5	58.6	0	0	0	0	115.5	C284 T310	C284-S286 VanDerWaalsContact C-N 3.35Å; C284-S286 PolarHBondContact O-N 2.95Å; S286-T310 WeakPolarHBondContact O-CG2 3.4Å; S286-T310 PolarHBondContact O-OG1 3.35Å
287	A	88.1	Confident	88.4	Confident	17 Å²	17	35.6 Å²	35.6	14%	0.14	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-6.7	-179.9	0	0	0	0	0	114.4	P262 L264 R265 L285	P262-A287 WeakPolarHBondContact O-CB 3.47Å; L264-A287 CarbonylContact O-C 3.2Å; L264-A287 VanDerWaalsContact O-C 3.24Å; R265-A287 VanDerWaalsContact NH1-CB 3.28Å; R265-A287 PolarHBondContact NH1-O 3.4Å; L285-A287 PolarHBondContact O-N 2.82Å
288	V	92.2	Very high	88.7	Confident	1 Å²	1	35 Å²	35	1%	0.006	19%	0.193	C	C	.	.			trans	-77.3	126.1	-172.4	174.5	0	0	0	0	111.8	L264 R265 V267 L285 L290 L291 T310 L311	L264-V288 HydrophobicContact CD2-CG2 4.29Å; L264-V288 HydrophobicContact CG-CG2 4.2Å; R265-V288 WeakPolarHBondContact O-CG1 3.36Å; V267-V288 HydrophobicContact CG2-CG1 4.39Å; V267-V288 HydrophobicContact CG2-CG2 3.99Å; L285-V288 HydrophobicContact CB-CB 4.41Å; L285-V288 HydrophobicContact CB-CG2 3.87Å; L285-V288 HydrophobicContact CD2-CG2 4.02Å; L285-V288 HydrophobicContact CG-CG2 4.46Å; L285-V288 WeakPolarHBondContact O-CB 3.22Å; L285-V288 WeakPolarHBondContact O-CG2 3.47Å; L285-V288 PolarHBondContact O-N 3.44Å; V288-L290 WeakPolarHBondContact CG1-O 3.46Å; V288-L291 HydrophobicContact CG1-CB 4.18Å; V288-T310 PolarHBondContact O-OG1 2.96Å; V288-T310 VanDerWaalsContact O-OG1 3.05Å; V288-L311 HydrophobicContact CG1-CD1 4.29Å; V288-L311 WeakPolarHBondContact O-CA 3.37Å
289	T	92.3	Very high	88.9	Confident	40 Å²	40	38.6 Å²	38.6	25%	0.245	20%	0.204	C	C	.	.	S	Bend	trans	-96.9	-26.4	177.6	58.1	0	0	0	0	112.8	R265 T312 R313	R265-T289 PolarHBondContact O-N 3.03Å; R265-T289 PolarHBondContact O-OG1 3.36Å; R265-T289 VanDerWaalsContact O-OG1 3.11Å; T289-T312 PolarHBondContact O-N 3.08Å; T289-T312 PolarHBondContact O-OG1 3.17Å; T289-R313 PolarHBondContact O-N 2.84Å; T289-R313 VanDerWaalsContact O-N 3.08Å
290	L	94.3	Very high	89.2	Confident	27 Å²	27	41 Å²	41	14%	0.141	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	119	177.3	-174	161.2	0	0	0	109.9	R265 E266 V267 F268 V288 E292 R313	R265-L290 PolarHBondContact O-N 3.02Å; E266-L290 HydrophobicContact CB-CB 4.46Å; E266-L290 HydrophobicContact CG-CB 4.18Å; V267-L290 PolarHBondContact N-O 3.41Å; F268-L290 HydrophobicContact CD1-CD2 4.17Å; F268-L290 HydrophobicContact CE1-CD1 4.4Å; F268-L290 HydrophobicContact CE1-CD2 3.65Å; F268-L290 HydrophobicContact CZ-CD1 4.25Å; F268-L290 HydrophobicContact CZ-CD2 3.85Å; V288-L290 WeakPolarHBondContact CG1-O 3.46Å; L290-E292 HydrophobicContact CD2-CB 4.17Å; L290-R313 WeakPolarHBondContact CA-O 3.3Å; L290-R313 HydrophobicContact CB-CB 4.49Å; L290-R313 HydrophobicContact CD1-CG 4.47Å; L290-R313 HydrophobicContact CG-CB 4.14Å; L290-R313 HydrophobicContact CG-CG 4.21Å
291	L	95.6	Very high	89.5	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	113.8	174	-178.4	58.5	0	0	0	109.7	V267 V288 L293 L308 L311 R313 L314 D315	V267-L291 HydrophobicContact CB-CD1 4.01Å; V267-L291 HydrophobicContact CG1-CD1 4.15Å; V288-L291 HydrophobicContact CG1-CB 4.18Å; L291-L293 HydrophobicContact CD1-CD1 4.43Å; L291-L293 HydrophobicContact CD1-CD2 4.18Å; L291-L293 HydrophobicContact CD1-CG 4.16Å; L291-L293 HydrophobicContact CD2-CD1 3.97Å; L291-L293 HydrophobicContact CG-CD1 4Å; L291-L293 HydrophobicContact CG-CG 4.01Å; L291-L308 HydrophobicContact CD2-CD1 4.37Å; L291-L311 HydrophobicContact CB-CD1 3.81Å; L291-R313 PolarHBondContact N-O 3.15Å; L291-L314 HydrophobicContact CB-CD1 4.1Å; L291-L314 HydrophobicContact CD2-CD1 4.13Å; L291-L314 HydrophobicContact CG-CD1 4.15Å; L291-L314 WeakPolarHBondContact O-CA 3.48Å; L291-D315 PolarHBondContact O-N 3.27Å
292	E	94.8	Very high	89.7	Confident	14 Å²	14	36.6 Å²	36.6	7%	0.065	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	121.1	176	-177	-164.4	115.5	0	0	110.8	V267 F268 A269 G270 L290 R294 D315	V267-E292 PolarHBondContact O-N 3.21Å; F268-E292 HydrophobicContact CD1-CB 4Å; F268-E292 WeakPolarHBondContact CD1-OE2 3.42Å; A269-E292 CarbonylContact C-O 3.52Å; A269-E292 WeakPolarHBondContact CA-O 3.42Å; A269-E292 PolarHBondContact N-O 3.08Å; G270-E292 PolarHBondContact N-O 3.32Å; L290-E292 HydrophobicContact CD2-CB 4.17Å; E292-R294 HydrophobicContact CG-CG 4.09Å; E292-R294 IonicContact OE1-CZ 2.75Å; E292-R294 IonicContact OE1-NE 2.65Å; E292-R294 IonicContact OE1-NH1 3.84Å; E292-R294 PolarHBondContact OE1-NH1 3.01Å; E292-R294 IonicContact OE1-NH2 3.73Å; E292-R294 PolarHBondContact OE1-NH2 3.22Å; E292-R294 IonicContact OE2-CZ 3.38Å; E292-R294 IonicContact OE2-NH1 3.94Å; E292-R294 PolarHBondContact OE2-NH1 2.99Å; E292-D315 HydrophobicContact CB-CB 4.38Å; E292-D315 HydrophobicContact CG-CB 4.03Å
293	L	96.1	Very high	89.5	Confident	0 Å²	0	43 Å²	43	0%	0	22%	0.223	C	C	.	.			trans	-130.4	23.8	-178.1	-62.1	173.2	0	0	0	111.6	L256 A269 L277 L291 N296 I298 D315 L316 N319	L256-L293 HydrophobicContact CD1-CD1 4.37Å; L256-L293 HydrophobicContact CD1-CD2 4.11Å; L256-L293 HydrophobicContact CD2-CD2 3.67Å; L256-L293 HydrophobicContact CG-CD2 4.29Å; A269-L293 HydrophobicContact CB-CD2 4.01Å; L277-L293 HydrophobicContact CD1-CD1 4.32Å; L277-L293 HydrophobicContact CD2-CD1 4.06Å; L291-L293 HydrophobicContact CD1-CD1 4.43Å; L291-L293 HydrophobicContact CD1-CD2 4.18Å; L291-L293 HydrophobicContact CD1-CG 4.16Å; L291-L293 HydrophobicContact CD2-CD1 3.97Å; L291-L293 HydrophobicContact CG-CD1 4Å; L291-L293 HydrophobicContact CG-CG 4.01Å; L293-N296 PolarHBondContact O-ND2 3.35Å; L293-I298 HydrophobicContact CB-CD1 3.98Å; L293-I298 HydrophobicContact CD1-CD1 4.03Å; L293-D315 CarbonylContact C-O 3.22Å; L293-D315 WeakPolarHBondContact CA-O 3.11Å; L293-D315 PolarHBondContact N-O 2.96Å; L293-L316 HydrophobicContact CB-CD2 3.96Å; L293-L316 HydrophobicContact CD1-CD2 3.9Å; L293-N319 PolarHBondContact O-ND2 3.45Å
294	R	91.9	Very high	89.6	Confident	66 Å²	66	43.6 Å²	43.6	25%	0.249	22%	0.218	C	C	.	.			trans	-58.9	154	-179.5	69.9	168.8	-175.6	-95.4	-17.1	112.5	G270 N271 E292 N296 D315 S317	G270-R294 CarbonylContact C-O 3.21Å; G270-R294 WeakPolarHBondContact CA-O 3.35Å; N271-R294 PolarHBondContact N-O 3.06Å; E292-R294 HydrophobicContact CG-CG 4.09Å; E292-R294 IonicContact OE1-CZ 2.75Å; E292-R294 IonicContact OE1-NE 2.65Å; E292-R294 IonicContact OE1-NH1 3.84Å; E292-R294 PolarHBondContact OE1-NH1 3.01Å; E292-R294 IonicContact OE1-NH2 3.73Å; E292-R294 PolarHBondContact OE1-NH2 3.22Å; E292-R294 IonicContact OE2-CZ 3.38Å; E292-R294 IonicContact OE2-NH1 3.94Å; E292-R294 PolarHBondContact OE2-NH1 2.99Å; R294-N296 PolarHBondContact O-N 2.73Å; R294-N296 PolarHBondContact O-ND2 3.05Å; R294-D315 PolarHBondContact N-O 3.17Å; R294-S317 CarbonylContact C-O 3.55Å; R294-S317 WeakPolarHBondContact CA-O 3.41Å
295	D	92	Very high	89.5	Confident	48 Å²	48	42.1 Å²	42.1	26%	0.257	21%	0.208	S	C	.	.	S	Bend	trans	54.3	49.5	174.9	-52.7	-66.8	0	0	0	112.7	N271 N272 S317 N318	N271-D295 WeakPolarHBondContact CA-O 3.47Å; N271-D295 HydrophobicContact CB-CB 4.33Å; N271-D295 PolarHBondContact N-O 2.83Å; N271-D295 PolarHBondContact ND2-OD2 2.88Å; N272-D295 PolarHBondContact N-O 2.9Å; D295-S317 PolarHBondContact N-O 3.38Å; D295-N318 VanDerWaalsContact CA-O 3.28Å; D295-N318 WeakPolarHBondContact CA-O 3.47Å; D295-N318 PolarHBondContact N-O 3.13Å; D295-N318 WeakPolarHBondContact OD1-CB 3.29Å; D295-N318 PolarHBondContact OD1-ND2 3.05Å
296	N	95.3	Very high	89.4	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.213	C	C	.	.	S	Bend	trans	-116.2	-162.2	174.1	-87.7	-76.7	0	0	0	110.2	A269 N272 Q273 V274 L293 R294 I298 N319	A269-N296 PolarHBondContact O-ND2 2.99Å; N272-N296 VanDerWaalsContact CA-OD1 3.31Å; N272-N296 WeakPolarHBondContact CA-OD1 3.27Å; N272-N296 WeakPolarHBondContact CB-OD1 3.43Å; N272-N296 PolarHBondContact O-OD1 2.84Å; Q273-N296 PolarHBondContact N-OD1 3.3Å; V274-N296 HydrophobicContact CB-CB 4.28Å; V274-N296 WeakPolarHBondContact CB-OD1 3.41Å; V274-N296 WeakPolarHBondContact CG2-OD1 3.32Å; V274-N296 PolarHBondContact N-OD1 2.71Å; L293-N296 PolarHBondContact O-ND2 3.35Å; R294-N296 PolarHBondContact O-N 2.73Å; R294-N296 PolarHBondContact O-ND2 3.05Å; N296-I298 HydrophobicContact CB-CD1 4.28Å; N296-I298 HydrophobicContact CB-CG1 4.15Å; N296-N319 VanDerWaalsContact CA-OD1 3.25Å; N296-N319 WeakPolarHBondContact CA-OD1 3.16Å; N296-N319 WeakPolarHBondContact CB-OD1 3.07Å; N296-N319 PolarHBondContact N-OD1 2.93Å; N296-N319 PolarHBondContact O-OD1 3.2Å
297	K	93.3	Very high	89.3	Confident	106 Å²	106	44.5 Å²	44.5	46%	0.461	22%	0.216	S	C	.	.			trans	-121.3	27.1	-179.9	-60	-62.4	168.8	-155.2	0	112.2	V274 E275 R299 N319	V274-K297 CarbonylContact O-C 3.46Å; V274-K297 WeakPolarHBondContact O-CA 3.5Å; V274-K297 PolarHBondContact O-N 3.19Å; E275-K297 HydrophobicContact CG-CB 3.88Å; K297-R299 PolarHBondContact O-N 3.15Å; K297-N319 PolarHBondContact N-OD1 2.79Å
298	I	94.6	Very high	89.2	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	21%	0.21	C	C	.	.			trans	-69.6	124.8	-175.2	-58.1	168.3	0	0	0	108.9	V274 L277 L293 N296 L301 L316 N319 D320 I321	V274-I298 HydrophobicContact CB-CG1 4.49Å; V274-I298 HydrophobicContact CG1-CD1 4.5Å; V274-I298 HydrophobicContact CG1-CG1 4.23Å; V274-I298 WeakPolarHBondContact O-CG1 3.2Å; V274-I298 PolarHBondContact O-N 3.39Å; V274-I298 VanDerWaalsContact O-N 3.13Å; L277-I298 HydrophobicContact CD1-CD1 4.36Å; L277-I298 HydrophobicContact CD1-CG2 4.38Å; L277-I298 HydrophobicContact CD2-CD1 4.16Å; L277-I298 HydrophobicContact CG-CD1 4.37Å; L277-I298 HydrophobicContact CG-CG2 4.44Å; L293-I298 HydrophobicContact CB-CD1 3.98Å; L293-I298 HydrophobicContact CD1-CD1 4.03Å; N296-I298 HydrophobicContact CB-CD1 4.28Å; N296-I298 HydrophobicContact CB-CG1 4.15Å; I298-L301 HydrophobicContact CG2-CD2 3.95Å; I298-L316 HydrophobicContact CD1-CD2 4.05Å; I298-N319 HydrophobicContact CB-CB 4.26Å; I298-N319 WeakPolarHBondContact CB-OD1 3.26Å; I298-N319 WeakPolarHBondContact CG1-OD1 3.37Å; I298-N319 PolarHBondContact N-OD1 3.34Å; I298-D320 CarbonylContact O-C 3.48Å; I298-D320 WeakPolarHBondContact O-CA 3.3Å; I298-D320 PolarHBondContact O-N 2.98Å; I298-I321 HydrophobicContact CB-CG1 4.41Å; I298-I321 HydrophobicContact CG2-CD1 4.42Å; I298-I321 HydrophobicContact CG2-CG1 4.2Å; I298-I321 VanDerWaalsContact O-CG1 3.31Å; I298-I321 WeakPolarHBondContact O-CG1 3.44Å; I298-I321 PolarHBondContact O-N 3.13Å; I298-I321 VanDerWaalsContact O-N 3.17Å
299	R	89.3	Confident	88.9	Confident	139 Å²	139	48.6 Å²	48.6	53%	0.525	24%	0.236	S	C	.	.			trans	-101.1	-40.1	179.5	-66.4	-175.8	-176.8	127.8	4.8	113.7	K297 D320 I321	K297-R299 PolarHBondContact O-N 3.15Å; R299-D320 HydrophobicContact CG-CB 3.95Å; R299-I321 WeakPolarHBondContact O-CA 3.23Å
300	N	85.1	Confident	88.8	Confident	92 Å²	92	49.3 Å²	49.3	49%	0.492	24%	0.24	S	C	.	.			trans	-129.5	142.8	-175.7	-61.1	-39.8	0	0	0	109.1
301	L	87.9	Confident	88.7	Confident	15 Å²	15	48 Å²	48	8%	0.079	23%	0.233	C	C	.	.			trans	-103.4	129.1	172.9	-60.5	172.8	0	0	0	108.9	L277 I298 L316 I321 L324 P325 L328	L277-L301 HydrophobicContact CD1-CD2 3.74Å; I298-L301 HydrophobicContact CG2-CD2 3.95Å; L301-L316 HydrophobicContact CD1-CD1 3.68Å; L301-L316 HydrophobicContact CD2-CD1 3.85Å; L301-L316 HydrophobicContact CD2-CD2 4.03Å; L301-L316 HydrophobicContact CG-CD1 4.42Å; L301-I321 HydrophobicContact CD1-CD1 4.27Å; L301-I321 HydrophobicContact CD1-CG2 4.47Å; L301-I321 HydrophobicContact CD2-CD1 4.11Å; L301-I321 HydrophobicContact CG-CD1 4.25Å; L301-I321 HydrophobicContact CG-CG2 4.49Å; L301-L324 HydrophobicContact CD1-CD2 3.75Å; L301-P325 HydrophobicContact CB-CG 3.83Å; L301-L328 HydrophobicContact CD1-CD1 3.95Å
302	P	86.6	Confident	88.4	Confident	25 Å²	25	50.3 Å²	50.3	16%	0.162	25%	0.247	C	C	.	.			trans	-71	154.5	176.5	31.4	-37.1	0	0	0	111.4	L277 L282 E304 L305	L277-P302 HydrophobicContact CB-CG 3.9Å; L277-P302 WeakPolarHBondContact O-CG 3.45Å; L282-P302 HydrophobicContact CD1-CG 3.41Å; L282-P302 VanDerWaalsContact CD1-CG 3.41Å; P302-E304 VanDerWaalsContact CB-OE2 3.29Å; P302-E304 WeakPolarHBondContact CB-OE2 3.26Å; P302-E304 PolarHBondContact O-N 2.91Å; P302-L305 WeakPolarHBondContact O-CB 3.09Å; P302-L305 PolarHBondContact O-N 3.12Å
303	E	79.4	Confident	88.1	Confident	139 Å²	139	54 Å²	54	65%	0.65	26%	0.261	S	S	*	.	G	3₁₀ helix	trans	-68.1	-28.3	178.7	-69.6	-167	173.2	0	0	112	L305 A306 P325 S327	E303-L305 PolarHBondContact O-N 3.34Å; E303-L305 VanDerWaalsContact O-N 3.1Å; E303-A306 VanDerWaalsContact O-CB 3.28Å; E303-A306 WeakPolarHBondContact O-CB 3.37Å; E303-A306 PolarHBondContact O-N 3.39Å; E303-P325 HydrophobicContact CG-CB 4.45Å; E303-S327 WeakPolarHBondContact CA-OG 3.03Å; E303-S327 PolarHBondContact O-OG 2.82Å
304	E	83.1	Confident	88.1	Confident	80 Å²	80	54 Å²	54	37%	0.374	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-61.3	-14.9	178.5	-65.2	87.2	164.6	0	0	113.2	A279 P302 A306 L307	A279-E304 HydrophobicContact CB-CB 4.19Å; A279-E304 HydrophobicContact CB-CG 3.77Å; P302-E304 VanDerWaalsContact CB-OE2 3.29Å; P302-E304 WeakPolarHBondContact CB-OE2 3.26Å; P302-E304 PolarHBondContact O-N 2.91Å; E304-A306 PolarHBondContact O-N 3.12Å; E304-A306 VanDerWaalsContact O-N 3.15Å; E304-L307 HydrophobicContact CB-CD1 3.98Å; E304-L307 HydrophobicContact CG-CD1 4.24Å; E304-L307 WeakPolarHBondContact O-CB 3.48Å; E304-L307 VanDerWaalsContact O-CG 3.29Å; E304-L307 WeakPolarHBondContact O-CG 3.25Å; E304-L307 PolarHBondContact O-N 3.49Å
305	L	83.2	Confident	87.9	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-58.8	-25.3	170.4	-164.7	66.2	0	0	0	111.7	L282 P302 E303 L307 L308 L314 L328	L282-L305 HydrophobicContact CD1-CB 4.36Å; L282-L305 HydrophobicContact CD1-CD1 4.07Å; L282-L305 HydrophobicContact CD2-CD1 3.77Å; P302-L305 WeakPolarHBondContact O-CB 3.09Å; P302-L305 PolarHBondContact O-N 3.12Å; E303-L305 PolarHBondContact O-N 3.34Å; E303-L305 VanDerWaalsContact O-N 3.1Å; L305-L307 PolarHBondContact O-N 2.98Å; L305-L308 HydrophobicContact CD1-CD1 3.74Å; L305-L308 PolarHBondContact O-N 2.96Å; L305-L314 HydrophobicContact CD2-CD2 3.66Å; L305-L314 HydrophobicContact CG-CD2 4.49Å; L305-L328 HydrophobicContact CD2-CD2 3.49Å; L305-L328 VanDerWaalsContact CD2-CD2 3.49Å; L305-L328 HydrophobicContact CG-CD2 4.2Å
306	A	79.1	Confident	88.1	Confident	15 Å²	15	49 Å²	49	12%	0.124	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-66.5	-14.8	173.4	0	0	0	0	0	114.1	E303 E304 L308 L330	E303-A306 VanDerWaalsContact O-CB 3.28Å; E303-A306 WeakPolarHBondContact O-CB 3.37Å; E303-A306 PolarHBondContact O-N 3.39Å; E304-A306 PolarHBondContact O-N 3.12Å; E304-A306 VanDerWaalsContact O-N 3.15Å; A306-L308 PolarHBondContact O-N 3.31Å; A306-L330 HydrophobicContact CB-CB 4.47Å
307	L	82	Confident	87.7	Confident	110 Å²	110	49.7 Å²	49.7	58%	0.576	24%	0.243	S	C	*	.	G	3₁₀ helix	trans	-74.6	-13.9	177.2	-59	174.2	0	0	0	112.8	E304 L305 L309	E304-L307 HydrophobicContact CB-CD1 3.98Å; E304-L307 HydrophobicContact CG-CD1 4.24Å; E304-L307 WeakPolarHBondContact O-CB 3.48Å; E304-L307 VanDerWaalsContact O-CG 3.29Å; E304-L307 WeakPolarHBondContact O-CG 3.25Å; E304-L307 PolarHBondContact O-N 3.49Å; L305-L307 PolarHBondContact O-N 2.98Å; L307-L309 PolarHBondContact O-N 2.85Å
308	L	85.5	Confident	87.5	Confident	2 Å²	2	48.4 Å²	48.4	1%	0.01	24%	0.242	C	C	.	.			trans	-78.8	66.7	179.1	-59	-176.5	0	0	0	111.5	L282 L285 L291 L305 A306 T310 L311 L331	L282-L308 HydrophobicContact CD2-CD1 4.39Å; L282-L308 VanDerWaalsContact O-CD2 3.3Å; L282-L308 WeakPolarHBondContact O-CD2 3.47Å; L285-L308 HydrophobicContact CB-CD2 4.21Å; L285-L308 WeakPolarHBondContact O-CD2 3.2Å; L291-L308 HydrophobicContact CD2-CD1 4.37Å; L305-L308 HydrophobicContact CD1-CD1 3.74Å; L305-L308 PolarHBondContact O-N 2.96Å; A306-L308 PolarHBondContact O-N 3.31Å; L308-T310 PolarHBondContact O-N 3.44Å; L308-L311 HydrophobicContact CB-CB 3.99Å; L308-L311 HydrophobicContact CB-CD2 4.37Å; L308-L311 HydrophobicContact CD1-CD2 4.24Å; L308-L311 WeakPolarHBondContact O-CB 3.11Å; L308-L311 PolarHBondContact O-N 2.94Å; L308-L331 HydrophobicContact CB-CD2 4.43Å; L308-L331 VanDerWaalsContact O-CD2 3.29Å; L308-L331 WeakPolarHBondContact O-CD2 3.06Å
309	L	85.6	Confident	87.4	Confident	103 Å²	103	48.6 Å²	48.6	54%	0.539	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-22.7	-172.3	-58.2	180	0	0	0	114.3	L307 P332 N333	L307-L309 PolarHBondContact O-N 2.85Å; L309-P332 HydrophobicContact CB-CG 4.5Å; L309-P332 HydrophobicContact CD2-CG 4.29Å; L309-N333 PolarHBondContact O-ND2 3.26Å
310	T	89.6	Confident	87.4	Confident	55 Å²	55	45.1 Å²	45.1	34%	0.337	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-10.2	179.1	57.7	0	0	0	0	113.2	S286 V288 L308 T312	S286-T310 WeakPolarHBondContact O-CG2 3.4Å; S286-T310 PolarHBondContact O-OG1 3.35Å; V288-T310 PolarHBondContact O-OG1 2.96Å; V288-T310 VanDerWaalsContact O-OG1 3.05Å; L308-T310 PolarHBondContact O-N 3.44Å; T310-T312 PolarHBondContact O-N 3.25Å
311	L	92.4	Very high	87.6	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.211	C	C	.	.			trans	-67.4	124	-173.3	-162.5	70.2	0	0	0	111.4	V288 L291 L308 L314 L331 N333 L334	V288-L311 HydrophobicContact CG1-CD1 4.29Å; V288-L311 WeakPolarHBondContact O-CA 3.37Å; L291-L311 HydrophobicContact CB-CD1 3.81Å; L308-L311 HydrophobicContact CB-CB 3.99Å; L308-L311 HydrophobicContact CB-CD2 4.37Å; L308-L311 HydrophobicContact CD1-CD2 4.24Å; L308-L311 WeakPolarHBondContact O-CB 3.11Å; L308-L311 PolarHBondContact O-N 2.94Å; L311-L314 HydrophobicContact CD2-CB 3.98Å; L311-L314 HydrophobicContact CD2-CD1 4.41Å; L311-L314 HydrophobicContact CD2-CD2 4.19Å; L311-L314 HydrophobicContact CD2-CG 4.43Å; L311-L331 HydrophobicContact CD2-CD1 4.36Å; L311-N333 CarbonylContact O-C 3.53Å; L311-N333 VanDerWaalsContact O-C 3.27Å; L311-L334 HydrophobicContact CD2-CD1 4.36Å; L311-L334 HydrophobicContact CG-CD1 4.34Å; L311-L334 WeakPolarHBondContact O-CA 3.15Å; L311-L334 PolarHBondContact O-N 3.45Å
312	T	88.6	Confident	87.4	Confident	48 Å²	48	41.9 Å²	41.9	29%	0.294	22%	0.22	S	C	.	.			trans	-110.8	-30.2	179.3	66.3	0	0	0	0	112.7	T289 T310 N333 K335 V336	T289-T312 PolarHBondContact O-N 3.08Å; T289-T312 PolarHBondContact O-OG1 3.17Å; T310-T312 PolarHBondContact O-N 3.25Å; T312-N333 WeakPolarHBondContact CA-O 3.46Å; T312-N333 HydrophobicContact CG2-CB 4.41Å; T312-K335 PolarHBondContact O-N 3.4Å; T312-V336 PolarHBondContact O-N 3.32Å; T312-V336 VanDerWaalsContact O-N 3.09Å
313	R	89.9	Confident	87.2	Confident	91 Å²	91	44 Å²	44	34%	0.343	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	126.2	179.7	178.7	170.8	179.2	111.9	1.1	110.3	T289 L290 L291 V336 L338	T289-R313 PolarHBondContact O-N 2.84Å; T289-R313 VanDerWaalsContact O-N 3.08Å; L290-R313 WeakPolarHBondContact CA-O 3.3Å; L290-R313 HydrophobicContact CB-CB 4.49Å; L290-R313 HydrophobicContact CD1-CG 4.47Å; L290-R313 HydrophobicContact CG-CB 4.14Å; L290-R313 HydrophobicContact CG-CG 4.21Å; L291-R313 PolarHBondContact N-O 3.15Å; R313-V336 WeakPolarHBondContact CA-O 3.46Å; R313-V336 HydrophobicContact CB-CB 4.32Å; R313-V336 HydrophobicContact CG-CB 4.04Å; R313-V336 HydrophobicContact CG-CG1 4.21Å; R313-L338 VanDerWaalsContact NH2-CD1 3.3Å
314	L	94.9	Very high	87.5	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	118.3	174.3	179.7	56.2	0	0	0	108.9	L291 L305 L311 L316 L328 L334 V336 L337 L338	L291-L314 HydrophobicContact CB-CD1 4.1Å; L291-L314 HydrophobicContact CD2-CD1 4.13Å; L291-L314 HydrophobicContact CG-CD1 4.15Å; L291-L314 WeakPolarHBondContact O-CA 3.48Å; L305-L314 HydrophobicContact CD2-CD2 3.66Å; L305-L314 HydrophobicContact CG-CD2 4.49Å; L311-L314 HydrophobicContact CD2-CB 3.98Å; L311-L314 HydrophobicContact CD2-CD1 4.41Å; L311-L314 HydrophobicContact CD2-CD2 4.19Å; L311-L314 HydrophobicContact CD2-CG 4.43Å; L314-L316 HydrophobicContact CD1-CD1 4.26Å; L314-L316 HydrophobicContact CD1-CD2 4.42Å; L314-L316 HydrophobicContact CD1-CG 4Å; L314-L316 HydrophobicContact CD2-CD1 3.73Å; L314-L316 HydrophobicContact CD2-CG 4.36Å; L314-L316 HydrophobicContact CG-CD1 3.85Å; L314-L316 HydrophobicContact CG-CG 3.94Å; L314-L328 HydrophobicContact CD2-CD2 4.45Å; L314-L334 HydrophobicContact CB-CD1 3.93Å; L314-V336 PolarHBondContact N-O 3.06Å; L314-L337 HydrophobicContact CB-CD1 4.05Å; L314-L337 HydrophobicContact CD2-CD1 3.93Å; L314-L337 HydrophobicContact CG-CD1 3.97Å; L314-L337 WeakPolarHBondContact O-CA 3.4Å; L314-L338 PolarHBondContact O-N 3.11Å
315	D	89.4	Confident	87.5	Confident	10 Å²	10	34.9 Å²	34.9	5%	0.053	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	112.8	175.3	-171.5	-7.4	0	0	0	110.1	L291 E292 L293 R294 S317 L338	L291-D315 PolarHBondContact O-N 3.27Å; E292-D315 HydrophobicContact CB-CB 4.38Å; E292-D315 HydrophobicContact CG-CB 4.03Å; L293-D315 CarbonylContact C-O 3.22Å; L293-D315 WeakPolarHBondContact CA-O 3.11Å; L293-D315 PolarHBondContact N-O 2.96Å; R294-D315 PolarHBondContact N-O 3.17Å; D315-S317 VanDerWaalsContact OD1-CB 3.29Å; D315-S317 WeakPolarHBondContact OD1-CB 3.26Å; D315-S317 PolarHBondContact OD1-N 3.23Å; D315-S317 PolarHBondContact OD1-OG 3.39Å; D315-L338 HydrophobicContact CB-CB 4.32Å; D315-L338 HydrophobicContact CB-CD1 4.3Å; D315-L338 WeakPolarHBondContact OD1-CB 3.18Å
316	L	94.5	Very high	87.2	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.196	C	C	.	.			trans	-119.4	19.5	-179.5	-73	167	0	0	0	111.2	L293 I298 L301 L314 N319 I321 L337 L338 L339 N342	L293-L316 HydrophobicContact CB-CD2 3.96Å; L293-L316 HydrophobicContact CD1-CD2 3.9Å; I298-L316 HydrophobicContact CD1-CD2 4.05Å; L301-L316 HydrophobicContact CD1-CD1 3.68Å; L301-L316 HydrophobicContact CD2-CD1 3.85Å; L301-L316 HydrophobicContact CD2-CD2 4.03Å; L301-L316 HydrophobicContact CG-CD1 4.42Å; L314-L316 HydrophobicContact CD1-CD1 4.26Å; L314-L316 HydrophobicContact CD1-CD2 4.42Å; L314-L316 HydrophobicContact CD1-CG 4Å; L314-L316 HydrophobicContact CD2-CD1 3.73Å; L314-L316 HydrophobicContact CD2-CG 4.36Å; L314-L316 HydrophobicContact CG-CD1 3.85Å; L314-L316 HydrophobicContact CG-CG 3.94Å; L316-N319 PolarHBondContact O-ND2 2.71Å; L316-I321 HydrophobicContact CB-CD1 3.91Å; L316-I321 HydrophobicContact CD1-CD1 4.21Å; L316-I321 HydrophobicContact CD2-CD1 4.21Å; L316-I321 HydrophobicContact CG-CD1 4.36Å; L316-L337 HydrophobicContact CD1-CD1 4.35Å; L316-L338 CarbonylContact C-O 3.14Å; L316-L338 WeakPolarHBondContact CA-O 3.44Å; L316-L338 PolarHBondContact N-O 3.21Å; L316-L339 HydrophobicContact CB-CD2 3.9Å; L316-L339 HydrophobicContact CD1-CD2 4.16Å; L316-N342 PolarHBondContact O-ND2 2.86Å
317	S	88.1	Confident	87.2	Confident	13 Å²	13	35.2 Å²	35.2	9%	0.091	19%	0.194	C	C	.	.			trans	-60.8	151.4	-176.2	-49.8	0	0	0	0	112.1	R294 D295 D315 N319 L338 E340	R294-S317 CarbonylContact C-O 3.55Å; R294-S317 WeakPolarHBondContact CA-O 3.41Å; D295-S317 PolarHBondContact N-O 3.38Å; D315-S317 VanDerWaalsContact OD1-CB 3.29Å; D315-S317 WeakPolarHBondContact OD1-CB 3.26Å; D315-S317 PolarHBondContact OD1-N 3.23Å; D315-S317 PolarHBondContact OD1-OG 3.39Å; S317-N319 PolarHBondContact O-N 2.63Å; S317-N319 PolarHBondContact O-ND2 2.86Å; S317-L338 WeakPolarHBondContact OG-CB 3.21Å; S317-E340 CarbonylContact C-O 3.33Å; S317-E340 WeakPolarHBondContact CA-O 3.48Å
318	N	88.6	Confident	87.2	Confident	80 Å²	80	30 Å²	30	43%	0.428	17%	0.167	S	C	.	.	S	Bend	trans	52	49.6	178.3	-56.4	-27.9	0	0	0	113.7	D295 E340 G341	D295-N318 VanDerWaalsContact CA-O 3.28Å; D295-N318 WeakPolarHBondContact CA-O 3.47Å; D295-N318 PolarHBondContact N-O 3.13Å; D295-N318 WeakPolarHBondContact OD1-CB 3.29Å; D295-N318 PolarHBondContact OD1-ND2 3.05Å; N318-E340 PolarHBondContact N-O 3.23Å; N318-G341 WeakPolarHBondContact OD1-CA 3.49Å
319	N	92.4	Very high	86.8	Confident	4 Å²	4	30 Å²	30	2%	0.021	17%	0.167	C	C	.	.	S	Bend	trans	-113.1	-175.8	169.6	-83	-84.7	0	0	0	110.3	L293 N296 K297 I298 L316 S317 I321 N342 P343	L293-N319 PolarHBondContact O-ND2 3.45Å; N296-N319 VanDerWaalsContact CA-OD1 3.25Å; N296-N319 WeakPolarHBondContact CA-OD1 3.16Å; N296-N319 WeakPolarHBondContact CB-OD1 3.07Å; N296-N319 PolarHBondContact N-OD1 2.93Å; N296-N319 PolarHBondContact O-OD1 3.2Å; K297-N319 PolarHBondContact N-OD1 2.79Å; I298-N319 HydrophobicContact CB-CB 4.26Å; I298-N319 WeakPolarHBondContact CB-OD1 3.26Å; I298-N319 WeakPolarHBondContact CG1-OD1 3.37Å; I298-N319 PolarHBondContact N-OD1 3.34Å; L316-N319 PolarHBondContact O-ND2 2.71Å; S317-N319 PolarHBondContact O-N 2.63Å; S317-N319 PolarHBondContact O-ND2 2.86Å; N319-I321 VanDerWaalsContact C-N 3.35Å; N319-I321 HydrophobicContact CB-CD1 3.99Å; N319-I321 HydrophobicContact CB-CG1 3.88Å; N319-N342 VanDerWaalsContact CA-OD1 3.26Å; N319-N342 WeakPolarHBondContact CA-OD1 3.46Å; N319-N342 WeakPolarHBondContact CB-OD1 3.48Å; N319-N342 PolarHBondContact N-OD1 2.94Å; N319-N342 PolarHBondContact O-OD1 2.9Å; N319-P343 WeakPolarHBondContact O-CD 3.35Å
320	D	88.9	Confident	86.5	Confident	66 Å²	66	30.3 Å²	30.3	35%	0.353	17%	0.168	S	C	.	.			trans	-99.8	28	178.4	-66.7	-49.7	0	0	0	111.8	I298 R299 S322	I298-D320 CarbonylContact O-C 3.48Å; I298-D320 WeakPolarHBondContact O-CA 3.3Å; I298-D320 PolarHBondContact O-N 2.98Å; R299-D320 HydrophobicContact CG-CB 3.95Å; D320-S322 PolarHBondContact O-N 3.28Å
321	I	90	Very high	86.1	Confident	0 Å²	0	28.1 Å²	28.1	0%	0	16%	0.155	C	C	.	.			trans	-72.6	120.2	-172.9	-56.1	167.2	0	0	0	110	I298 R299 L301 L316 N319 T323 L324 N342 P343 L344	I298-I321 HydrophobicContact CB-CG1 4.41Å; I298-I321 HydrophobicContact CG2-CD1 4.42Å; I298-I321 HydrophobicContact CG2-CG1 4.2Å; I298-I321 VanDerWaalsContact O-CG1 3.31Å; I298-I321 WeakPolarHBondContact O-CG1 3.44Å; I298-I321 PolarHBondContact O-N 3.13Å; I298-I321 VanDerWaalsContact O-N 3.17Å; R299-I321 WeakPolarHBondContact O-CA 3.23Å; L301-I321 HydrophobicContact CD1-CD1 4.27Å; L301-I321 HydrophobicContact CD1-CG2 4.47Å; L301-I321 HydrophobicContact CD2-CD1 4.11Å; L301-I321 HydrophobicContact CG-CD1 4.25Å; L301-I321 HydrophobicContact CG-CG2 4.49Å; L316-I321 HydrophobicContact CB-CD1 3.91Å; L316-I321 HydrophobicContact CD1-CD1 4.21Å; L316-I321 HydrophobicContact CD2-CD1 4.21Å; L316-I321 HydrophobicContact CG-CD1 4.36Å; N319-I321 VanDerWaalsContact C-N 3.35Å; N319-I321 HydrophobicContact CB-CD1 3.99Å; N319-I321 HydrophobicContact CB-CG1 3.88Å; I321-T323 VanDerWaalsContact CG2-O 3.23Å; I321-T323 WeakPolarHBondContact CG2-O 3.49Å; I321-L324 HydrophobicContact CG2-CD2 3.92Å; I321-N342 HydrophobicContact CB-CB 4.27Å; I321-N342 WeakPolarHBondContact CB-OD1 3.2Å; I321-N342 VanDerWaalsContact CG1-OD1 3.3Å; I321-N342 WeakPolarHBondContact CG1-OD1 3.26Å; I321-N342 PolarHBondContact N-OD1 3.34Å; I321-P343 CarbonylContact O-C 3.46Å; I321-P343 WeakPolarHBondContact O-CD 3.23Å; I321-L344 HydrophobicContact CB-CD2 4.43Å; I321-L344 HydrophobicContact CG2-CD2 3.96Å; I321-L344 WeakPolarHBondContact O-CD2 3.36Å; I321-L344 PolarHBondContact O-N 2.88Å
322	S	83.9	Confident	85.3	Confident	39 Å²	39	32.2 Å²	32.2	27%	0.273	18%	0.181	S	C	.	.			trans	-97.8	-33.3	-178.3	69.9	0	0	0	0	113.5	D320 L344 R345	D320-S322 PolarHBondContact O-N 3.28Å; S322-L344 WeakPolarHBondContact O-CA 3.31Å; S322-R345 PolarHBondContact O-N 3.15Å
323	T	82.8	Confident	85.1	Confident	69 Å²	69	33.9 Å²	33.9	42%	0.423	19%	0.189	S	C	.	.			trans	-136.9	153	179.1	55.8	0	0	0	0	110	I321	I321-T323 VanDerWaalsContact CG2-O 3.23Å; I321-T323 WeakPolarHBondContact CG2-O 3.49Å
324	L	84.6	Confident	84.9	Confident	8 Å²	8	30.2 Å²	30.2	4%	0.042	18%	0.175	C	C	.	.			trans	-110.6	130.5	175.6	-62.4	177.1	0	0	0	109.1	L301 I321 L328 L339 L344 I347 L359 L363	L301-L324 HydrophobicContact CD1-CD2 3.75Å; I321-L324 HydrophobicContact CG2-CD2 3.92Å; L324-L328 HydrophobicContact CB-CD1 4.18Å; L324-L328 HydrophobicContact CD2-CD1 4.24Å; L324-L339 HydrophobicContact CD1-CD1 3.48Å; L324-L339 VanDerWaalsContact CD1-CD1 3.48Å; L324-L339 HydrophobicContact CD2-CD1 4.17Å; L324-L339 HydrophobicContact CD2-CD2 3.84Å; L324-L339 HydrophobicContact CG-CD1 4.46Å; L324-L344 HydrophobicContact CD1-CD2 4.43Å; L324-L344 HydrophobicContact CD2-CD2 4.03Å; L324-L344 HydrophobicContact CG-CD2 3.9Å; L324-I347 HydrophobicContact CB-CD1 4.31Å; L324-I347 HydrophobicContact CD1-CD1 3.52Å; L324-I347 HydrophobicContact CG-CD1 4.03Å; L324-L359 HydrophobicContact CD1-CD2 4.42Å; L324-L363 HydrophobicContact CB-CD1 4.35Å; L324-L363 HydrophobicContact CB-CD2 3.99Å; L324-L363 HydrophobicContact CD1-CD1 4.3Å
325	P	83.1	Confident	84.3	Confident	20 Å²	20	37.9 Å²	37.9	13%	0.13	21%	0.209	C	C	.	.			trans	-67.6	139.6	174.1	28.4	-33	0	0	0	109.3	L301 E303 S327 L328	L301-P325 HydrophobicContact CB-CG 3.83Å; E303-P325 HydrophobicContact CG-CB 4.45Å; P325-S327 PolarHBondContact O-N 3.2Å; P325-L328 HydrophobicContact CG-CD1 4.12Å; P325-L328 HydrophobicContact CG-CG 4.07Å; P325-L328 PolarHBondContact O-N 3.17Å
326	A	77.7	Confident	83.9	Confident	9 Å²	9	39.5 Å²	39.5	7%	0.074	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-67.6	-22.1	-177.2	0	0	0	0	0	112	L328 S329 R366 I367	A326-L328 PolarHBondContact O-N 3.07Å; A326-L328 VanDerWaalsContact O-N 3.17Å; A326-S329 WeakPolarHBondContact O-CB 3.3Å; A326-S329 PolarHBondContact O-N 3.42Å; A326-S329 VanDerWaalsContact O-N 3.07Å; A326-S329 PolarHBondContact O-OG 3.42Å; A326-R366 HydrophobicContact CB-CB 4.48Å; A326-I367 HydrophobicContact CB-CB 4.48Å; A326-I367 HydrophobicContact CB-CD1 4.19Å; A326-I367 HydrophobicContact CB-CG1 3.34Å
327	S	78.6	Confident	83.6	Confident	12 Å²	12	40 Å²	40	8%	0.084	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-58.4	-22.9	174.9	67.6	0	0	0	0	114.1	E303 P325 S329 L330	E303-S327 WeakPolarHBondContact CA-OG 3.03Å; E303-S327 PolarHBondContact O-OG 2.82Å; P325-S327 PolarHBondContact O-N 3.2Å; S327-S329 PolarHBondContact O-N 2.79Å; S327-S329 VanDerWaalsContact O-N 3.09Å; S327-L330 WeakPolarHBondContact O-CB 3.34Å; S327-L330 WeakPolarHBondContact O-CG 3.34Å; S327-L330 PolarHBondContact O-N 3.33Å
328	L	82.8	Confident	83.1	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-56.4	-28.1	173.1	-73.3	170.1	0	0	0	112.8	L301 L305 L314 L324 P325 A326 L330 L331 L360 L363	L301-L328 HydrophobicContact CD1-CD1 3.95Å; L305-L328 HydrophobicContact CD2-CD2 3.49Å; L305-L328 VanDerWaalsContact CD2-CD2 3.49Å; L305-L328 HydrophobicContact CG-CD2 4.2Å; L314-L328 HydrophobicContact CD2-CD2 4.45Å; L324-L328 HydrophobicContact CB-CD1 4.18Å; L324-L328 HydrophobicContact CD2-CD1 4.24Å; P325-L328 HydrophobicContact CG-CD1 4.12Å; P325-L328 HydrophobicContact CG-CG 4.07Å; P325-L328 PolarHBondContact O-N 3.17Å; A326-L328 PolarHBondContact O-N 3.07Å; A326-L328 VanDerWaalsContact O-N 3.17Å; L328-L330 PolarHBondContact O-N 2.93Å; L328-L331 HydrophobicContact CD2-CD1 4.19Å; L328-L331 PolarHBondContact O-N 3.03Å; L328-L360 WeakPolarHBondContact O-CD2 3.47Å; L328-L363 HydrophobicContact CB-CD1 4.14Å; L328-L363 HydrophobicContact CD1-CD1 4.48Å
329	S	76.3	Confident	82.9	Confident	2 Å²	2	38.3 Å²	38.3	1%	0.014	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-70.5	-9.8	177	72.2	0	0	0	0	114.8	A326 S327 L360 R364 I367	A326-S329 WeakPolarHBondContact O-CB 3.3Å; A326-S329 PolarHBondContact O-N 3.42Å; A326-S329 VanDerWaalsContact O-N 3.07Å; A326-S329 PolarHBondContact O-OG 3.42Å; S327-S329 PolarHBondContact O-N 2.79Å; S327-S329 VanDerWaalsContact O-N 3.09Å; S329-L360 VanDerWaalsContact CB-O 3.3Å; S329-L360 WeakPolarHBondContact CB-O 3.29Å; S329-R364 PolarHBondContact O-NH2 3.37Å; S329-I367 WeakPolarHBondContact OG-CD1 3.49Å
330	L	80.1	Confident	82.3	Confident	110 Å²	110	45.2 Å²	45.2	58%	0.576	24%	0.243	S	C	*	.	G	3₁₀ helix	trans	-88	-12.5	178.9	-58.3	173.8	0	0	0	112.9	A306 S327 L328 P332	A306-L330 HydrophobicContact CB-CB 4.47Å; S327-L330 WeakPolarHBondContact O-CB 3.34Å; S327-L330 WeakPolarHBondContact O-CG 3.34Å; S327-L330 PolarHBondContact O-N 3.33Å; L328-L330 PolarHBondContact O-N 2.93Å; L330-P332 VanDerWaalsContact O-CD 3.27Å; L330-P332 WeakPolarHBondContact O-CD 3.34Å; L330-P332 VanDerWaalsContact O-N 3.16Å
331	L	80.2	Confident	81.6	Confident	9 Å²	9	44.8 Å²	44.8	5%	0.047	26%	0.255	C	S	.	.			trans	-65.4	113.2	177.4	-73.5	168.9	0	0	0	109.8	L308 L311 L328 N333 L334	L308-L331 HydrophobicContact CB-CD2 4.43Å; L308-L331 VanDerWaalsContact O-CD2 3.29Å; L308-L331 WeakPolarHBondContact O-CD2 3.06Å; L311-L331 HydrophobicContact CD2-CD1 4.36Å; L328-L331 HydrophobicContact CD2-CD1 4.19Å; L328-L331 PolarHBondContact O-N 3.03Å; L331-N333 VanDerWaalsContact C-N 3.34Å; L331-N333 PolarHBondContact O-N 3.34Å; L331-L334 HydrophobicContact CB-CB 3.81Å; L331-L334 HydrophobicContact CB-CD2 4.44Å; L331-L334 HydrophobicContact CD1-CB 4.47Å; L331-L334 HydrophobicContact CD1-CD2 3.87Å
332	P	74.9	Confident	81.1	Confident	86 Å²	86	45.8 Å²	45.8	56%	0.558	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-27.7	-167.1	27.7	-34.5	0	0	0	113	L309 L330	L309-P332 HydrophobicContact CB-CG 4.5Å; L309-P332 HydrophobicContact CD2-CG 4.29Å; L330-P332 VanDerWaalsContact O-CD 3.27Å; L330-P332 WeakPolarHBondContact O-CD 3.34Å; L330-P332 VanDerWaalsContact O-N 3.16Å
333	N	84.8	Confident	80.8	Confident	84 Å²	84	47.2 Å²	47.2	45%	0.449	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.1	2.8	-171.2	-65.9	-51.8	0	0	0	113.7	L309 L311 T312 L331 K335	L309-N333 PolarHBondContact O-ND2 3.26Å; L311-N333 CarbonylContact O-C 3.53Å; L311-N333 VanDerWaalsContact O-C 3.27Å; T312-N333 WeakPolarHBondContact CA-O 3.46Å; T312-N333 HydrophobicContact CG2-CB 4.41Å; L331-N333 VanDerWaalsContact C-N 3.34Å; L331-N333 PolarHBondContact O-N 3.34Å; N333-K335 PolarHBondContact O-N 2.67Å; N333-K335 VanDerWaalsContact O-N 3.14Å
334	L	87.3	Confident	80.7	Confident	13 Å²	13	45.2 Å²	45.2	7%	0.068	26%	0.255	C	S	.	.			trans	-70.4	111.1	-175.9	-172.4	68.2	0	0	0	110.4	L311 L314 L331 L337 L360	L311-L334 HydrophobicContact CD2-CD1 4.36Å; L311-L334 HydrophobicContact CG-CD1 4.34Å; L311-L334 WeakPolarHBondContact O-CA 3.15Å; L311-L334 PolarHBondContact O-N 3.45Å; L314-L334 HydrophobicContact CB-CD1 3.93Å; L331-L334 HydrophobicContact CB-CB 3.81Å; L331-L334 HydrophobicContact CB-CD2 4.44Å; L331-L334 HydrophobicContact CD1-CB 4.47Å; L331-L334 HydrophobicContact CD1-CD2 3.87Å; L334-L337 HydrophobicContact CD2-CB 4.24Å; L334-L337 HydrophobicContact CD2-CD2 4.45Å; L334-L360 HydrophobicContact CB-CD1 4.48Å; L334-L360 HydrophobicContact CD2-CD1 4.37Å; L334-L360 HydrophobicContact CD2-CD2 4.17Å
335	K	81.4	Confident	80	Confident	161 Å²	161	54.2 Å²	54.2	70%	0.7	29%	0.288	S	S	*	.			trans	-99.4	-35.6	-179.5	-65	179.3	-174.9	177.9	0	112.1	T312 N333 T356	T312-K335 PolarHBondContact O-N 3.4Å; N333-K335 PolarHBondContact O-N 2.67Å; N333-K335 VanDerWaalsContact O-N 3.14Å; K335-T356 WeakPolarHBondContact O-CB 3.29Å
336	V	80.5	Confident	79	Confident	44 Å²	44	55.9 Å²	55.9	27%	0.267	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	119.5	-175.3	-177.8	0	0	0	0	109.8	T312 R313 L314 L338	T312-V336 PolarHBondContact O-N 3.32Å; T312-V336 VanDerWaalsContact O-N 3.09Å; R313-V336 WeakPolarHBondContact CA-O 3.46Å; R313-V336 HydrophobicContact CB-CB 4.32Å; R313-V336 HydrophobicContact CG-CB 4.04Å; R313-V336 HydrophobicContact CG-CG1 4.21Å; L314-V336 PolarHBondContact N-O 3.06Å; V336-L338 HydrophobicContact CG1-CD2 4Å; V336-L338 HydrophobicContact CG1-CG 3.96Å
337	L	88.4	Confident	78.6	Confident	10 Å²	10	56 Å²	56	5%	0.052	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	113.3	171.9	177.8	55.8	0	0	0	108.1	L314 L316 L334 L339 T356 L359 L360	L314-L337 HydrophobicContact CB-CD1 4.05Å; L314-L337 HydrophobicContact CD2-CD1 3.93Å; L314-L337 HydrophobicContact CG-CD1 3.97Å; L314-L337 WeakPolarHBondContact O-CA 3.4Å; L316-L337 HydrophobicContact CD1-CD1 4.35Å; L334-L337 HydrophobicContact CD2-CB 4.24Å; L334-L337 HydrophobicContact CD2-CD2 4.45Å; L337-L339 HydrophobicContact CD1-CD1 4.37Å; L337-L339 HydrophobicContact CD1-CD2 4.35Å; L337-L339 HydrophobicContact CD1-CG 4.11Å; L337-L339 HydrophobicContact CD2-CD1 3.88Å; L337-L339 HydrophobicContact CG-CD1 3.84Å; L337-L339 HydrophobicContact CG-CG 3.98Å; L337-T356 HydrophobicContact CB-CG2 3.61Å; L337-T356 PolarHBondContact N-OG1 3.23Å; L337-T356 PolarHBondContact O-OG1 3.3Å; L337-L359 HydrophobicContact CD2-CD2 3.94Å; L337-L360 HydrophobicContact CD2-CD2 4.47Å
338	L	78.8	Confident	78.1	Confident	49 Å²	49	65 Å²	65	26%	0.257	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	128.4	177.3	-57.9	-178.4	0	0	0	110	R313 L314 D315 L316 S317 V336	R313-L338 VanDerWaalsContact NH2-CD1 3.3Å; L314-L338 PolarHBondContact O-N 3.11Å; D315-L338 HydrophobicContact CB-CB 4.32Å; D315-L338 HydrophobicContact CB-CD1 4.3Å; D315-L338 WeakPolarHBondContact OD1-CB 3.18Å; L316-L338 CarbonylContact C-O 3.14Å; L316-L338 WeakPolarHBondContact CA-O 3.44Å; L316-L338 PolarHBondContact N-O 3.21Å; S317-L338 WeakPolarHBondContact OG-CB 3.21Å; V336-L338 HydrophobicContact CG1-CD2 4Å; V336-L338 HydrophobicContact CG1-CG 3.96Å
339	L	84.4	Confident	77.2	Confident	9 Å²	9	75.7 Å²	75.7	5%	0.047	38%	0.381	C	S	.	.			trans	-137.9	12.5	-172.5	-72.1	166.2	0	0	0	112.6	L316 L324 L337 N342 L344 L352 L359	L316-L339 HydrophobicContact CB-CD2 3.9Å; L316-L339 HydrophobicContact CD1-CD2 4.16Å; L324-L339 HydrophobicContact CD1-CD1 3.48Å; L324-L339 VanDerWaalsContact CD1-CD1 3.48Å; L324-L339 HydrophobicContact CD2-CD1 4.17Å; L324-L339 HydrophobicContact CD2-CD2 3.84Å; L324-L339 HydrophobicContact CG-CD1 4.46Å; L337-L339 HydrophobicContact CD1-CD1 4.37Å; L337-L339 HydrophobicContact CD1-CD2 4.35Å; L337-L339 HydrophobicContact CD1-CG 4.11Å; L337-L339 HydrophobicContact CD2-CD1 3.88Å; L337-L339 HydrophobicContact CG-CD1 3.84Å; L337-L339 HydrophobicContact CG-CG 3.98Å; L339-N342 PolarHBondContact O-ND2 2.78Å; L339-L344 HydrophobicContact CB-CD1 4.22Å; L339-L344 HydrophobicContact CD1-CD1 4.47Å; L339-L352 HydrophobicContact CD1-CD2 4.45Å; L339-L359 HydrophobicContact CD1-CD2 3.52Å
340	E	79.1	Confident	76.4	Confident	149 Å²	149	82.4 Å²	82.4	70%	0.696	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	152.3	-177.9	-62.8	-171.6	169.9	0	0	110.9	S317 N318 N342	S317-E340 CarbonylContact C-O 3.33Å; S317-E340 WeakPolarHBondContact CA-O 3.48Å; N318-E340 PolarHBondContact N-O 3.23Å; E340-N342 PolarHBondContact O-N 3.28Å; E340-N342 PolarHBondContact O-ND2 3.15Å
341	G	72.9	Confident	75.6	Confident	58 Å²	58	78.6 Å²	78.6	60%	0.598	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.5	6.3	177.9	0	0	0	0	0	116.7	N318	N318-G341 WeakPolarHBondContact OD1-CA 3.49Å
342	N	79.9	Confident	74.8	Confident	21 Å²	21	81 Å²	81	11%	0.112	41%	0.405	C	S	.	.			trans	-92.2	144.7	174.3	-75.3	-87	0	0	0	112.8	L316 N319 I321 L339 E340 L344	L316-N342 PolarHBondContact O-ND2 2.86Å; N319-N342 VanDerWaalsContact CA-OD1 3.26Å; N319-N342 WeakPolarHBondContact CA-OD1 3.46Å; N319-N342 WeakPolarHBondContact CB-OD1 3.48Å; N319-N342 PolarHBondContact N-OD1 2.94Å; N319-N342 PolarHBondContact O-OD1 2.9Å; I321-N342 HydrophobicContact CB-CB 4.27Å; I321-N342 WeakPolarHBondContact CB-OD1 3.2Å; I321-N342 VanDerWaalsContact CG1-OD1 3.3Å; I321-N342 WeakPolarHBondContact CG1-OD1 3.26Å; I321-N342 PolarHBondContact N-OD1 3.34Å; L339-N342 PolarHBondContact O-ND2 2.78Å; E340-N342 PolarHBondContact O-N 3.28Å; E340-N342 PolarHBondContact O-ND2 3.15Å; N342-L344 HydrophobicContact CB-CD1 4.47Å; N342-L344 HydrophobicContact CB-CD2 4.44Å; N342-L344 HydrophobicContact CB-CG 3.93Å; N342-L344 PolarHBondContact O-N 3.18Å
343	P	79.1	Confident	74	Confident	68 Å²	68	81.1 Å²	81.1	44%	0.442	41%	0.413	S	S	.	.			trans	-77.7	50	176.3	35	-37.5	0	0	0	113	N319 I321 R345	N319-P343 WeakPolarHBondContact O-CD 3.35Å; I321-P343 CarbonylContact O-C 3.46Å; I321-P343 WeakPolarHBondContact O-CD 3.23Å; P343-R345 PolarHBondContact O-N 3.37Å
344	L	79.6	Confident	72.9	Confident	28 Å²	28	83.5 Å²	83.5	15%	0.147	42%	0.42	C	S	.	.			trans	-61.8	122.7	-175.9	-68	172.4	0	0	0	111.9	I321 S322 L324 L339 N342 L352	I321-L344 HydrophobicContact CB-CD2 4.43Å; I321-L344 HydrophobicContact CG2-CD2 3.96Å; I321-L344 WeakPolarHBondContact O-CD2 3.36Å; I321-L344 PolarHBondContact O-N 2.88Å; S322-L344 WeakPolarHBondContact O-CA 3.31Å; L324-L344 HydrophobicContact CD1-CD2 4.43Å; L324-L344 HydrophobicContact CD2-CD2 4.03Å; L324-L344 HydrophobicContact CG-CD2 3.9Å; L339-L344 HydrophobicContact CB-CD1 4.22Å; L339-L344 HydrophobicContact CD1-CD1 4.47Å; N342-L344 HydrophobicContact CB-CD1 4.47Å; N342-L344 HydrophobicContact CB-CD2 4.44Å; N342-L344 HydrophobicContact CB-CG 3.93Å; N342-L344 PolarHBondContact O-N 3.18Å; L344-L352 HydrophobicContact CD1-CD1 3.97Å; L344-L352 HydrophobicContact CD1-CD2 4.11Å
345	R	71	Confident	71.6	Confident	196 Å²	196	84.5 Å²	84.5	74%	0.74	43%	0.433	S	S	*	.	S	Bend	trans	-100.6	136.5	175.4	-63.7	-175	179.6	-176.5	0.2	109.9	S322 P343 I347	S322-R345 PolarHBondContact O-N 3.15Å; P343-R345 PolarHBondContact O-N 3.37Å; R345-I347 VanDerWaalsContact C-N 3.32Å; R345-I347 PolarHBondContact O-N 2.99Å
346	G	62.3	Low	71.3	Confident	55 Å²	55	77.8 Å²	77.8	57%	0.567	41%	0.405	S	S	*	.	S	Bend	trans	82.8	-5.7	176.9	0	0	0	0	0	116	Y362 R366	G346-Y362 PolarHBondContact O-OH 3.25Å; G346-R366 VanDerWaalsContact C-NH2 3.33Å; G346-R366 PolarHBondContact O-NH2 2.96Å
347	I	68.7	Low	70.8	Confident	12 Å²	12	79.6 Å²	79.6	6%	0.062	42%	0.42	C	S	.	.	S	Bend	trans	-109.1	121.1	171.8	-63.1	175.6	0	0	0	108.8	L324 R345 L351 L352 L359 Y362 L363	L324-I347 HydrophobicContact CB-CD1 4.31Å; L324-I347 HydrophobicContact CD1-CD1 3.52Å; L324-I347 HydrophobicContact CG-CD1 4.03Å; R345-I347 VanDerWaalsContact C-N 3.32Å; R345-I347 PolarHBondContact O-N 2.99Å; I347-L351 HydrophobicContact CG2-CD2 4.13Å; I347-L352 HydrophobicContact CG2-CD2 3.95Å; I347-L352 HydrophobicContact CG2-CG 4.04Å; I347-L359 HydrophobicContact CD1-CD1 4.24Å; I347-L359 HydrophobicContact CG2-CD1 4.09Å; I347-Y362 HydrophobicContact CD1-CE1 4.44Å; I347-Y362 HydrophobicContact CG1-CD1 4.49Å; I347-Y362 HydrophobicContact CG1-CE1 3.85Å; I347-L363 HydrophobicContact CD1-CD2 4.31Å
348	R	67.3	Low	69.8	Low	201 Å²	201	82.3 Å²	82.3	76%	0.758	43%	0.434	S	S	*	.			trans	-70.8	139.5	-179.8	-64.8	-173.8	-177.8	-177.1	1.8	110.6	E350 L351	R348-E350 PolarHBondContact O-N 2.76Å; R348-L351 WeakPolarHBondContact O-CB 3.35Å; R348-L351 PolarHBondContact O-N 3.28Å
349	R	64.1	Low	69.6	Low	224 Å²	224	80.1 Å²	80.1	85%	0.845	42%	0.423	S	S	*	.	H	α-helix	trans	-56	-35	179.2	-71.7	-175.6	176.7	-179.4	-1.7	113.6	L351 L352 A353	R349-L351 PolarHBondContact O-N 3.03Å; R349-L352 WeakPolarHBondContact O-CB 3.42Å; R349-L352 PolarHBondContact O-N 2.97Å; R349-L352 VanDerWaalsContact O-N 3.16Å; R349-A353 PolarHBondContact O-N 3.09Å; R349-A353 VanDerWaalsContact O-N 3.12Å
350	E	58.9	Low	69.2	Low	144 Å²	144	80.6 Å²	80.6	67%	0.673	43%	0.425	S	S	*	.	H	α-helix	trans	-61.7	-30.4	175.7	-66.6	174.1	-171.5	0	0	113.3	R348 K354	R348-E350 PolarHBondContact O-N 2.76Å; E350-K354 WeakPolarHBondContact O-CG 3.44Å; E350-K354 PolarHBondContact O-N 2.9Å
351	L	63.5	Low	69	Low	29 Å²	29	80.2 Å²	80.2	15%	0.152	42%	0.422	C	S	.	.	H	α-helix	trans	-73.5	-37.2	175.9	-177.4	68.4	0	0	0	111.2	I347 R348 R349 A353 K354 D358 L359 Y362	I347-L351 HydrophobicContact CG2-CD2 4.13Å; R348-L351 WeakPolarHBondContact O-CB 3.35Å; R348-L351 PolarHBondContact O-N 3.28Å; R349-L351 PolarHBondContact O-N 3.03Å; L351-A353 VanDerWaalsContact C-N 3.26Å; L351-A353 PolarHBondContact O-N 2.95Å; L351-K354 PolarHBondContact O-N 3.4Å; L351-D358 HydrophobicContact CD1-CB 4.18Å; L351-L359 HydrophobicContact CD2-CD1 4.14Å; L351-L359 HydrophobicContact CG-CD1 4.47Å; L351-Y362 VanDerWaalsContact CD2-CB 3.41Å; L351-Y362 HydrophobicContact CD2-CD1 3.59Å; L351-Y362 HydrophobicContact CD2-CD2 3.7Å; L351-Y362 HydrophobicContact CD2-CE1 4.29Å; L351-Y362 HydrophobicContact CD2-CE2 4.37Å; L351-Y362 HydrophobicContact CD2-CG 3.25Å
352	L	64.1	Low	69	Low	59 Å²	59	81.1 Å²	81.1	31%	0.309	41%	0.408	S	S	.	.	H	α-helix	trans	-63.2	-35.5	174.6	-61.6	171.8	0	0	0	111.1	L339 L344 I347 R349 K354 G355 L359	L339-L352 HydrophobicContact CD1-CD2 4.45Å; L344-L352 HydrophobicContact CD1-CD1 3.97Å; L344-L352 HydrophobicContact CD1-CD2 4.11Å; I347-L352 HydrophobicContact CG2-CD2 3.95Å; I347-L352 HydrophobicContact CG2-CG 4.04Å; R349-L352 WeakPolarHBondContact O-CB 3.42Å; R349-L352 PolarHBondContact O-N 2.97Å; R349-L352 VanDerWaalsContact O-N 3.16Å; L352-K354 VanDerWaalsContact C-N 3.32Å; L352-K354 PolarHBondContact O-N 2.8Å; L352-G355 PolarHBondContact O-N 3.47Å; L352-L359 HydrophobicContact CD2-CD1 4.05Å; L352-L359 HydrophobicContact CD2-CD2 3.99Å
353	A	57.1	Low	68.7	Low	89 Å²	89	80.1 Å²	80.1	74%	0.736	40%	0.402	S	S	*	.	H	α-helix	trans	-72.1	-19.2	177.6	0	0	0	0	0	114.4	R349 L351 G355	R349-A353 PolarHBondContact O-N 3.09Å; R349-A353 VanDerWaalsContact O-N 3.12Å; L351-A353 VanDerWaalsContact C-N 3.26Å; L351-A353 PolarHBondContact O-N 2.95Å; A353-G355 PolarHBondContact O-N 3.49Å
354	K	61.7	Low	68.5	Low	135 Å²	135	83.7 Å²	83.7	59%	0.587	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-10.3	177.7	-73.7	174.6	-176.7	-176.9	0	113.4	E350 L351 L352 D358	E350-K354 WeakPolarHBondContact O-CG 3.44Å; E350-K354 PolarHBondContact O-N 2.9Å; L351-K354 PolarHBondContact O-N 3.4Å; L352-K354 VanDerWaalsContact C-N 3.32Å; L352-K354 PolarHBondContact O-N 2.8Å; K354-D358 HydrophobicContact CB-CB 3.92Å
355	G	60.6	Low	67.3	Low	33 Å²	33	83.8 Å²	83.8	34%	0.34	41%	0.414	S	S	.	.			trans	96.9	174.9	176.4	0	0	0	0	0	114.1	L352 A353 S357 D358 L359	L352-G355 PolarHBondContact O-N 3.47Å; A353-G355 PolarHBondContact O-N 3.49Å; G355-S357 PolarHBondContact O-N 3.49Å; G355-D358 PolarHBondContact O-N 3.32Å; G355-L359 PolarHBondContact O-N 3.41Å
356	T	75.6	Confident	67	Low	20 Å²	20	76.5 Å²	76.5	12%	0.123	39%	0.387	C	S	.	.	H	α-helix	trans	-62	-37.7	-169.7	-57.7	0	0	0	0	113.4	K335 L337 D358 L359 L360	K335-T356 WeakPolarHBondContact O-CB 3.29Å; L337-T356 HydrophobicContact CB-CG2 3.61Å; L337-T356 PolarHBondContact N-OG1 3.23Å; L337-T356 PolarHBondContact O-OG1 3.3Å; T356-D358 PolarHBondContact O-N 3Å; T356-L359 PolarHBondContact O-N 3.37Å; T356-L360 HydrophobicContact CG2-CD1 3.85Å; T356-L360 HydrophobicContact CG2-CG 4.17Å; T356-L360 VanDerWaalsContact O-CG 3.27Å; T356-L360 WeakPolarHBondContact O-CG 3.44Å; T356-L360 PolarHBondContact O-N 2.9Å
357	S	68.9	Low	66.8	Low	83 Å²	83	77.2 Å²	77.2	58%	0.58	38%	0.377	S	S	*	.	H	α-helix	trans	-59.5	-46.7	-179.4	46.1	0	0	0	0	113.3	G355 L360 K361	G355-S357 PolarHBondContact O-N 3.49Å; S357-L360 PolarHBondContact O-N 3.43Å; S357-K361 WeakPolarHBondContact O-CB 3.39Å; S357-K361 PolarHBondContact O-N 3.11Å
358	D	67.4	Low	65.5	Low	66 Å²	66	81.9 Å²	81.9	35%	0.353	40%	0.397	S	S	.	.	H	α-helix	trans	-73	-35.3	-177.3	-70.2	-94.3	0	0	0	111.6	L351 K354 G355 T356 K361 Y362	L351-D358 HydrophobicContact CD1-CB 4.18Å; K354-D358 HydrophobicContact CB-CB 3.92Å; G355-D358 PolarHBondContact O-N 3.32Å; T356-D358 PolarHBondContact O-N 3Å; D358-K361 PolarHBondContact O-N 3.25Å; D358-Y362 WeakPolarHBondContact O-CB 3.06Å; D358-Y362 PolarHBondContact O-N 3.1Å
359	L	74.6	Confident	63.9	Low	4 Å²	4	78.6 Å²	78.6	2%	0.021	39%	0.39	C	S	.	.	H	α-helix	trans	-63.5	-46.2	172.6	-178.4	63.3	0	0	0	111.6	L324 L337 L339 I347 L351 L352 G355 T356 K361 Y362 L363	L324-L359 HydrophobicContact CD1-CD2 4.42Å; L337-L359 HydrophobicContact CD2-CD2 3.94Å; L339-L359 HydrophobicContact CD1-CD2 3.52Å; I347-L359 HydrophobicContact CD1-CD1 4.24Å; I347-L359 HydrophobicContact CG2-CD1 4.09Å; L351-L359 HydrophobicContact CD2-CD1 4.14Å; L351-L359 HydrophobicContact CG-CD1 4.47Å; L352-L359 HydrophobicContact CD2-CD1 4.05Å; L352-L359 HydrophobicContact CD2-CD2 3.99Å; G355-L359 PolarHBondContact O-N 3.41Å; T356-L359 PolarHBondContact O-N 3.37Å; L359-K361 VanDerWaalsContact C-N 3.29Å; L359-K361 PolarHBondContact O-N 2.9Å; L359-Y362 WeakPolarHBondContact O-CB 3.5Å; L359-Y362 PolarHBondContact O-N 2.89Å; L359-L363 HydrophobicContact CG-CD1 4.44Å; L359-L363 WeakPolarHBondContact O-CG 3.43Å; L359-L363 PolarHBondContact O-N 3.13Å
360	L	77.8	Confident	62.6	Low	18 Å²	18	74 Å²	74	9%	0.094	38%	0.378	C	S	.	.	H	α-helix	trans	-64.2	-36.2	176.2	-65.8	175.3	0	0	0	111.4	L328 S329 L334 L337 T356 S357 L363 R364	L328-L360 WeakPolarHBondContact O-CD2 3.47Å; S329-L360 VanDerWaalsContact CB-O 3.3Å; S329-L360 WeakPolarHBondContact CB-O 3.29Å; L334-L360 HydrophobicContact CB-CD1 4.48Å; L334-L360 HydrophobicContact CD2-CD1 4.37Å; L334-L360 HydrophobicContact CD2-CD2 4.17Å; L337-L360 HydrophobicContact CD2-CD2 4.47Å; T356-L360 HydrophobicContact CG2-CD1 3.85Å; T356-L360 HydrophobicContact CG2-CG 4.17Å; T356-L360 VanDerWaalsContact O-CG 3.27Å; T356-L360 WeakPolarHBondContact O-CG 3.44Å; T356-L360 PolarHBondContact O-N 2.9Å; S357-L360 PolarHBondContact O-N 3.43Å; L360-L363 PolarHBondContact O-N 3.38Å; L360-R364 WeakPolarHBondContact O-CB 3.32Å; L360-R364 PolarHBondContact O-N 3.24Å
361	K	74.8	Confident	61.6	Low	142 Å²	142	69.6 Å²	69.6	62%	0.617	37%	0.367	S	S	*	.	H	α-helix	trans	-63.5	-41.9	173.4	-171.4	178.8	-178.4	178.9	0	112.1	S357 D358 L359 R364 G365	S357-K361 WeakPolarHBondContact O-CB 3.39Å; S357-K361 PolarHBondContact O-N 3.11Å; D358-K361 PolarHBondContact O-N 3.25Å; L359-K361 VanDerWaalsContact C-N 3.29Å; L359-K361 PolarHBondContact O-N 2.9Å; K361-R364 WeakPolarHBondContact O-CB 3.28Å; K361-R364 PolarHBondContact O-N 3.26Å; K361-G365 PolarHBondContact O-N 3.15Å; K361-G365 VanDerWaalsContact O-N 3.15Å
362	Y	72.4	Confident	60	Low	77 Å²	77	75.2 Å²	75.2	30%	0.302	39%	0.392	S	S	.	.	H	α-helix	trans	-64.3	-46.6	175.3	172.5	-95.9	0	0	0	112.3	G346 I347 L351 D358 L359 R364 G365 R366	G346-Y362 PolarHBondContact O-OH 3.25Å; I347-Y362 HydrophobicContact CD1-CE1 4.44Å; I347-Y362 HydrophobicContact CG1-CD1 4.49Å; I347-Y362 HydrophobicContact CG1-CE1 3.85Å; L351-Y362 VanDerWaalsContact CD2-CB 3.41Å; L351-Y362 HydrophobicContact CD2-CD1 3.59Å; L351-Y362 HydrophobicContact CD2-CD2 3.7Å; L351-Y362 HydrophobicContact CD2-CE1 4.29Å; L351-Y362 HydrophobicContact CD2-CE2 4.37Å; L351-Y362 HydrophobicContact CD2-CG 3.25Å; D358-Y362 WeakPolarHBondContact O-CB 3.06Å; D358-Y362 PolarHBondContact O-N 3.1Å; L359-Y362 WeakPolarHBondContact O-CB 3.5Å; L359-Y362 PolarHBondContact O-N 2.89Å; Y362-R364 VanDerWaalsContact C-N 3.25Å; Y362-R364 PolarHBondContact O-N 3.02Å; Y362-G365 WeakPolarHBondContact O-CA 3.11Å; Y362-G365 PolarHBondContact O-N 2.88Å; Y362-R366 HydrophobicContact CE1-CG 4.24Å; Y362-R366 PolarHBondContact O-N 3Å; Y362-R366 VanDerWaalsContact O-N 3.12Å; Y362-R366 VanDerWaalsContact OH-CZ 3.32Å; Y362-R366 PolarHBondContact OH-NE 3.2Å; Y362-R366 PolarHBondContact OH-NH2 3.14Å
363	L	73.9	Confident	58.4	Low	0 Å²	0	75.4 Å²	75.4	0%	0	41%	0.409	C	S	.	.	H	α-helix	trans	-60.8	-37.5	176.7	-69.4	176	0	0	0	111.4	L324 L328 I347 L359 L360 G365 R366 I367	L324-L363 HydrophobicContact CB-CD1 4.35Å; L324-L363 HydrophobicContact CB-CD2 3.99Å; L324-L363 HydrophobicContact CD1-CD1 4.3Å; L328-L363 HydrophobicContact CB-CD1 4.14Å; L328-L363 HydrophobicContact CD1-CD1 4.48Å; I347-L363 HydrophobicContact CD1-CD2 4.31Å; L359-L363 HydrophobicContact CG-CD1 4.44Å; L359-L363 WeakPolarHBondContact O-CG 3.43Å; L359-L363 PolarHBondContact O-N 3.13Å; L360-L363 PolarHBondContact O-N 3.38Å; L363-G365 VanDerWaalsContact C-N 3.25Å; L363-G365 PolarHBondContact O-N 2.9Å; L363-R366 WeakPolarHBondContact O-CB 3Å; L363-R366 PolarHBondContact O-N 3.31Å; L363-R366 VanDerWaalsContact O-N 3.1Å; L363-I367 PolarHBondContact O-N 3.19Å
364	R	74.6	Confident	57.2	Low	142 Å²	142	75.8 Å²	75.8	54%	0.536	41%	0.412	S	S	.	.	H	α-helix	trans	-61.8	-32.7	172.3	-167	175.3	-65.1	168.4	1	112.8	S329 L360 K361 Y362	S329-R364 PolarHBondContact O-NH2 3.37Å; L360-R364 WeakPolarHBondContact O-CB 3.32Å; L360-R364 PolarHBondContact O-N 3.24Å; K361-R364 WeakPolarHBondContact O-CB 3.28Å; K361-R364 PolarHBondContact O-N 3.26Å; Y362-R364 VanDerWaalsContact C-N 3.25Å; Y362-R364 PolarHBondContact O-N 3.02Å
365	G	54.4	Low	55.7	Low	30 Å²	30	74.4 Å²	74.4	31%	0.309	43%	0.425	S	S	.	.	H	α-helix	trans	-67.7	-36.1	172.3	0	0	0	0	0	113	K361 Y362 L363 I367 K368 E369	K361-G365 PolarHBondContact O-N 3.15Å; K361-G365 VanDerWaalsContact O-N 3.15Å; Y362-G365 WeakPolarHBondContact O-CA 3.11Å; Y362-G365 PolarHBondContact O-N 2.88Å; L363-G365 VanDerWaalsContact C-N 3.25Å; L363-G365 PolarHBondContact O-N 2.9Å; G365-I367 PolarHBondContact O-N 3.06Å; G365-K368 WeakPolarHBondContact O-CA 3.29Å; G365-K368 VanDerWaalsContact O-CB 3.26Å; G365-K368 WeakPolarHBondContact O-CB 3.21Å; G365-K368 PolarHBondContact O-N 3.45Å; G365-E369 PolarHBondContact O-N 3.19Å
366	R	65.3	Low	54.1	Low	44 Å²	44	76.4 Å²	76.4	17%	0.166	45%	0.446	C	S	.	.	H	α-helix	trans	-68.1	-30.6	175.5	-79.2	-169.2	172	-173.7	-1.7	114.4	A326 G346 Y362 L363 K368 E369 E370	A326-R366 HydrophobicContact CB-CB 4.48Å; G346-R366 VanDerWaalsContact C-NH2 3.33Å; G346-R366 PolarHBondContact O-NH2 2.96Å; Y362-R366 HydrophobicContact CE1-CG 4.24Å; Y362-R366 PolarHBondContact O-N 3Å; Y362-R366 VanDerWaalsContact O-N 3.12Å; Y362-R366 VanDerWaalsContact OH-CZ 3.32Å; Y362-R366 PolarHBondContact OH-NE 3.2Å; Y362-R366 PolarHBondContact OH-NH2 3.14Å; L363-R366 WeakPolarHBondContact O-CB 3Å; L363-R366 PolarHBondContact O-N 3.31Å; L363-R366 VanDerWaalsContact O-N 3.1Å; R366-K368 PolarHBondContact O-N 2.83Å; R366-E369 PolarHBondContact O-N 3.38Å; R366-E369 VanDerWaalsContact O-N 3.11Å; R366-E370 WeakPolarHBondContact O-CB 3.04Å; R366-E370 PolarHBondContact O-N 2.93Å
367	I	57.3	Low	52.8	Low	70 Å²	70	81.4 Å²	81.4	36%	0.359	48%	0.479	S	S	.	.	H	α-helix	trans	-55.8	-33.2	169	-57.4	-178.2	0	0	0	110.2	A326 S329 L363 G365	A326-I367 HydrophobicContact CB-CB 4.48Å; A326-I367 HydrophobicContact CB-CD1 4.19Å; A326-I367 HydrophobicContact CB-CG1 3.34Å; S329-I367 WeakPolarHBondContact OG-CD1 3.49Å; L363-I367 PolarHBondContact O-N 3.19Å; G365-I367 PolarHBondContact O-N 3.06Å
368	K	40.9	Very low	50.8	Low	110 Å²	110	84.7 Å²	84.7	48%	0.478	50%	0.496	S	S	.	.	H	α-helix	trans	-77.6	-35.1	177.3	-57.3	-176.9	173.9	-171.5	0	112.8	G365 R366 E568	G365-K368 WeakPolarHBondContact O-CA 3.29Å; G365-K368 VanDerWaalsContact O-CB 3.26Å; G365-K368 WeakPolarHBondContact O-CB 3.21Å; G365-K368 PolarHBondContact O-N 3.45Å; R366-K368 PolarHBondContact O-N 2.83Å; K368-E568 IonicContact NZ-OE2 3.86Å
369	E	34.9	Very low	49.1	Very low	131 Å²	131	85.9 Å²	85.9	61%	0.612	52%	0.515	S	S	*	.	H	α-helix	trans	-83.2	-35.9	-180	-72.4	-179	169.3	0	0	114.3	G365 R366 A371 E372 G373	G365-E369 PolarHBondContact O-N 3.19Å; R366-E369 PolarHBondContact O-N 3.38Å; R366-E369 VanDerWaalsContact O-N 3.11Å; E369-A371 PolarHBondContact O-N 3.35Å; E369-E372 PolarHBondContact O-N 3.34Å; E369-G373 PolarHBondContact O-N 3.01Å
370	E	36.8	Very low	46.7	Very low	127 Å²	127	93.9 Å²	93.9	59%	0.593	55%	0.554	S	S	*	*	H	α-helix	trans	-66.8	-20.6	174.8	-79.8	178.1	170.6	0	0	112.2	R366 E372	R366-E370 WeakPolarHBondContact O-CB 3.04Å; R366-E370 PolarHBondContact O-N 2.93Å; E370-E372 PolarHBondContact O-N 3.31Å
371	A	36.9	Very low	44.4	Very low	53 Å²	53	99 Å²	99	44%	0.438	59%	0.587	S	S	.	*	H	α-helix	trans	-70.4	-16.3	168.3	0	0	0	0	0	113.4	E369	E369-A371 PolarHBondContact O-N 3.35Å
372	E	29.7	Very low	42.2	Very low	146 Å²	146	98.7 Å²	98.7	68%	0.682	59%	0.591	S	S	*	*	H	α-helix	trans	-106.6	-12	-176.9	-66.6	-174.5	163.8	0	0	114	E369 E370	E369-E372 PolarHBondContact O-N 3.34Å; E370-E372 PolarHBondContact O-N 3.31Å
373	G	31.3	Very low	40.2	Very low	64 Å²	64	100.4 Å²	100.4	66%	0.66	61%	0.611	S	S	*	*	H	α-helix	trans	-119.2	-10.5	-165.8	0	0	0	0	0	119.7	E369 A375	E369-G373 PolarHBondContact O-N 3.01Å; G373-A375 PolarHBondContact O-N 3.49Å
374	A	31.5	Very low	38.2	Very low	97 Å²	97	105.9 Å²	105.9	80%	0.802	65%	0.65	S	S	*	*			trans	-98.8	75	-169.9	0	0	0	0	0	113.8
375	A	29	Very low	36.6	Very low	105 Å²	105	107 Å²	107	87%	0.868	66%	0.661	S	S	*	*			trans	-107.5	112.6	161.2	0	0	0	0	0	109.8	G373	G373-A375 PolarHBondContact O-N 3.49Å
376	G	28.4	Very low	36.2	Very low	75 Å²	75	108.1 Å²	108.1	77%	0.773	67%	0.673	S	S	*	*			trans	140.9	135.4	162.2	0	0	0	0	0	115.4
377	P	47.1	Very low	35.7	Very low	125 Å²	125	110.2 Å²	110.2	81%	0.812	69%	0.687	S	S	*	*			trans	-105.9	154.4	-155.3	38.4	-28.9	0	0	0	114.2
378	T	28.3	Very low	35.8	Very low	153 Å²	153	108.3 Å²	108.3	94%	0.939	68%	0.678	S	S	*	*			trans	-148	134.7	149.9	25.2	0	0	0	0	110.6
379	A	31.3	Very low	36.8	Very low	91 Å²	91	107 Å²	107	75%	0.752	68%	0.677	S	S	*	*			trans	-90.3	175.8	-166.8	0	0	0	0	0	114.7
380	M	24.8	Very low	38.1	Very low	172 Å²	172	105 Å²	105	85%	0.847	67%	0.674	S	S	*	*			trans	97.1	119.9	166.7	-55.2	-72.7	-86.4	0	0	113.6
381	T	27.7	Very low	39.1	Very low	126 Å²	126	104.6 Å²	104.6	77%	0.773	67%	0.671	S	S	*	*			cis	-162.7	148.1	19.9	10.8	0	0	0	0	109.5
382	L	29.3	Very low	40	Very low	134 Å²	134	103.4 Å²	103.4	70%	0.702	66%	0.658	S	S	*	*			trans	-70.1	152.3	-172.3	-70.6	125.9	0	0	0	116.3	E385	L382-E385 HydrophobicContact CD2-CG 3.82Å
383	P	30.8	Very low	41.9	Very low	114 Å²	114	96.7 Å²	96.7	74%	0.74	63%	0.626	S	S	*	*			trans	-117.5	126.4	141.2	26.5	-10.4	0	0	0	112
384	S	32.8	Very low	43.6	Very low	115 Å²	115	100.8 Å²	100.8	80%	0.804	63%	0.626	S	S	*	*			trans	41.9	97.6	162.4	58.4	0	0	0	0	118	G386	S384-G386 PolarHBondContact O-N 2.95Å
385	E	39.4	Very low	45.1	Very low	164 Å²	164	99.8 Å²	99.8	77%	0.766	61%	0.61	S	S	*	*			trans	-69.3	63.4	168.5	-61.8	179.7	159.4	0	0	112.2	L382 L387	L382-E385 HydrophobicContact CD2-CG 3.82Å; E385-L387 PolarHBondContact O-N 2.85Å
386	G	47.1	Very low	46.6	Very low	55 Å²	55	99.7 Å²	99.7	57%	0.567	59%	0.594	S	S	*	*			trans	-73.2	111.3	154.8	0	0	0	0	0	107.7	S384 V388	S384-G386 PolarHBondContact O-N 2.95Å; G386-V388 PolarHBondContact O-N 2.95Å
387	L	55.2	Low	49	Very low	87 Å²	87	101.3 Å²	101.3	46%	0.455	58%	0.58	S	S	.	*	S	Bend	trans	-54.4	-23.9	174.9	-114.1	115.9	0	0	0	112.3	E385 Y401 P410	E385-L387 PolarHBondContact O-N 2.85Å; L387-Y401 HydrophobicContact CD2-CE2 4.4Å; L387-P410 HydrophobicContact CD2-CB 4.14Å; L387-P410 HydrophobicContact CD2-CG 3.89Å
388	V	58.8	Low	50.5	Low	30 Å²	30	97.7 Å²	97.7	18%	0.182	55%	0.553	C	S	.	*	S	Bend	trans	-136.8	124	-176.2	-172.9	0	0	0	0	111.3	G386 T390 I393 V413 A416	G386-V388 PolarHBondContact O-N 2.95Å; V388-T390 HydrophobicContact CG1-CG2 4.43Å; V388-T390 PolarHBondContact O-N 3.43Å; V388-T390 VanDerWaalsContact O-N 3.14Å; V388-I393 HydrophobicContact CG1-CD1 3.46Å; V388-I393 VanDerWaalsContact CG1-CD1 3.46Å; V388-V413 HydrophobicContact CG2-CG2 4.2Å; V388-A416 HydrophobicContact CB-CB 4.36Å; V388-A416 HydrophobicContact CG1-CB 3.52Å; V388-A416 HydrophobicContact CG2-CB 4.34Å
389	N	61.9	Low	53.2	Low	84 Å²	84	90.4 Å²	90.4	45%	0.449	51%	0.509	S	S	.	.			trans	-81.1	88.2	170.8	-170.6	-16.9	0	0	0	110.6	H391 N392	N389-H391 PolarHBondContact O-N 3.2Å; N389-H391 VanDerWaalsContact O-N 3.17Å; N389-H391 WeakPolarHBondContact OD1-CB 3.36Å; N389-H391 PolarHBondContact OD1-N 2.96Å; N389-N392 HydrophobicContact CB-CB 4.47Å; N389-N392 PolarHBondContact ND2-ND2 3.32Å; N389-N392 PolarHBondContact ND2-OD1 3.09Å; N389-N392 PolarHBondContact O-N 3.28Å; N389-N392 PolarHBondContact OD1-N 2.85Å
390	T	61.9	Low	55.6	Low	88 Å²	88	89 Å²	89	54%	0.54	49%	0.487	S	S	.	.	H	α-helix	trans	-64	-18.4	-178.1	58.5	0	0	0	0	114.1	V388 K394	V388-T390 HydrophobicContact CG1-CG2 4.43Å; V388-T390 PolarHBondContact O-N 3.43Å; V388-T390 VanDerWaalsContact O-N 3.14Å; T390-K394 WeakPolarHBondContact O-CG 3.34Å; T390-K394 PolarHBondContact O-N 3.36Å
391	H	57.5	Low	58.3	Low	118 Å²	118	82 Å²	82	55%	0.546	45%	0.451	S	S	.	.	H	α-helix	trans	-69.8	-51.5	175.2	-174.4	81.1	0	0	0	110.8	N389 I393 K394 T395	N389-H391 PolarHBondContact O-N 3.2Å; N389-H391 VanDerWaalsContact O-N 3.17Å; N389-H391 WeakPolarHBondContact OD1-CB 3.36Å; N389-H391 PolarHBondContact OD1-N 2.96Å; H391-I393 VanDerWaalsContact C-N 3.25Å; H391-I393 PolarHBondContact O-N 2.87Å; H391-K394 PolarHBondContact O-N 3.21Å; H391-T395 PolarHBondContact CD2-OG1 3.49Å; H391-T395 PolarHBondContact NE2-OG1 2.77Å; H391-T395 PolarHBondContact O-N 3.45Å; H391-T395 PolarHBondContact O-OG1 3.21Å
392	N	56.9	Low	60.6	Low	29 Å²	29	78.5 Å²	78.5	16%	0.155	43%	0.427	C	S	.	.	H	α-helix	trans	-60.2	-35.3	-178.9	-70.1	4.9	0	0	0	112.4	N389 L396 K397 M398 E400	N389-N392 HydrophobicContact CB-CB 4.47Å; N389-N392 PolarHBondContact ND2-ND2 3.32Å; N389-N392 PolarHBondContact ND2-OD1 3.09Å; N389-N392 PolarHBondContact O-N 3.28Å; N389-N392 PolarHBondContact OD1-N 2.85Å; N392-L396 HydrophobicContact CB-CD1 4.4Å; N392-L396 CarbonylContact O-C 3.23Å; N392-L396 WeakPolarHBondContact O-CA 3.31Å; N392-L396 VanDerWaalsContact O-CB 3.31Å; N392-L396 WeakPolarHBondContact O-CB 3.13Å; N392-L396 PolarHBondContact O-N 2.76Å; N392-K397 PolarHBondContact O-N 3.49Å; N392-K397 VanDerWaalsContact O-N 3.15Å; N392-M398 CarbonylContact C-O 3.19Å; N392-M398 PolarHBondContact O-N 3.43Å; N392-E400 PolarHBondContact ND2-OE2 2.9Å
393	I	69.5	Low	62.7	Low	4 Å²	4	77.1 Å²	77.1	2%	0.021	42%	0.42	C	S	.	.	H	α-helix	trans	-63.4	-49	175.5	-60.7	173.1	0	0	0	109.8	V388 H391 K397 L399 A416 Q420 I422	V388-I393 HydrophobicContact CG1-CD1 3.46Å; V388-I393 VanDerWaalsContact CG1-CD1 3.46Å; H391-I393 VanDerWaalsContact C-N 3.25Å; H391-I393 PolarHBondContact O-N 2.87Å; I393-K397 VanDerWaalsContact O-CA 3.29Å; I393-K397 WeakPolarHBondContact O-CA 3.29Å; I393-K397 PolarHBondContact O-N 3.31Å; I393-L399 HydrophobicContact CD1-CD1 3.81Å; I393-L399 HydrophobicContact CG1-CD1 4.13Å; I393-A416 HydrophobicContact CD1-CB 3.84Å; I393-Q420 HydrophobicContact CG2-CB 4.3Å; I393-Q420 VanDerWaalsContact CG2-CD 3.42Å; I393-Q420 HydrophobicContact CG2-CG 4.26Å; I393-Q420 PolarHBondContact O-OE1 3.47Å; I393-I422 HydrophobicContact CG2-CD1 3.72Å
394	K	66.7	Low	64.9	Low	150 Å²	150	77.2 Å²	77.2	65%	0.652	41%	0.409	S	S	*	.	H	α-helix	trans	-72.5	-38.9	-177	-72.1	-178.4	-178.1	-179.8	0	114.3	T390 H391 Q420	T390-K394 WeakPolarHBondContact O-CG 3.34Å; T390-K394 PolarHBondContact O-N 3.36Å; H391-K394 PolarHBondContact O-N 3.21Å; K394-Q420 VanDerWaalsContact CA-OE1 3.27Å
395	T	61.8	Low	67	Low	77 Å²	77	78.5 Å²	78.5	47%	0.472	40%	0.402	S	S	.	.	H	α-helix	trans	-95.2	-43.8	-173.1	55.9	0	0	0	0	112.7	H391	H391-T395 PolarHBondContact CD2-OG1 3.49Å; H391-T395 PolarHBondContact NE2-OG1 2.77Å; H391-T395 PolarHBondContact O-N 3.45Å; H391-T395 PolarHBondContact O-OG1 3.21Å
396	L	61	Low	69.1	Low	102 Å²	102	71.4 Å²	71.4	53%	0.534	37%	0.372	S	S	.	.	H	α-helix	trans	-99.2	-6.4	-174.5	-56.1	177.4	0	0	0	113.3	N392 M398	N392-L396 HydrophobicContact CB-CD1 4.4Å; N392-L396 CarbonylContact O-C 3.23Å; N392-L396 WeakPolarHBondContact O-CA 3.31Å; N392-L396 VanDerWaalsContact O-CB 3.31Å; N392-L396 WeakPolarHBondContact O-CB 3.13Å; N392-L396 PolarHBondContact O-N 2.76Å; L396-M398 HydrophobicContact CB-CB 4.11Å; L396-M398 PolarHBondContact O-N 3.09Å
397	K	79.8	Confident	70.9	Confident	109 Å²	109	72.1 Å²	72.1	47%	0.474	37%	0.372	S	S	.	.			trans	51.9	35.3	-173.4	-58.7	-179.7	179.1	179.8	0	111.7	N392 I393 I422 T423 S424	N392-K397 PolarHBondContact O-N 3.49Å; N392-K397 VanDerWaalsContact O-N 3.15Å; I393-K397 VanDerWaalsContact O-CA 3.29Å; I393-K397 WeakPolarHBondContact O-CA 3.29Å; I393-K397 PolarHBondContact O-N 3.31Å; K397-I422 CarbonylContact O-C 3.55Å; K397-I422 WeakPolarHBondContact O-CA 3.32Å; K397-I422 WeakPolarHBondContact O-CG2 3.27Å; K397-T423 HydrophobicContact CB-CG2 4.44Å; K397-T423 HydrophobicContact CD-CG2 4.34Å; K397-T423 PolarHBondContact O-N 3.48Å; K397-T423 PolarHBondContact O-OG1 2.82Å; K397-S424 PolarHBondContact O-N 3.09Å
398	M	78.5	Confident	72.5	Confident	49 Å²	49	71.9 Å²	71.9	24%	0.241	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	133.5	-175.1	-171.2	178.8	-70.3	0	0	110.4	N392 L396 E400 S424	N392-M398 CarbonylContact C-O 3.19Å; N392-M398 PolarHBondContact O-N 3.43Å; L396-M398 HydrophobicContact CB-CB 4.11Å; L396-M398 PolarHBondContact O-N 3.09Å; M398-E400 HydrophobicContact CG-CG 3.77Å; M398-E400 HydrophobicContact SD-CG 3.85Å; M398-S424 CarbonylContact C-O 3.4Å; M398-S424 VanDerWaalsContact CA-O 3.29Å; M398-S424 WeakPolarHBondContact CA-O 3.26Å
399	L	84.3	Confident	73.9	Confident	1 Å²	1	71.1 Å²	71.1	1%	0.005	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	119.8	176	-174.2	61.1	0	0	0	110.1	I393 V413 F414 A417 I422 S424 V425 N426 F427 L442	I393-L399 HydrophobicContact CD1-CD1 3.81Å; I393-L399 HydrophobicContact CG1-CD1 4.13Å; L399-V413 HydrophobicContact CD1-CG1 3.61Å; L399-V413 WeakPolarHBondContact CD1-O 3.15Å; L399-V413 HydrophobicContact CD2-CG1 4.21Å; L399-V413 HydrophobicContact CG-CG1 3.94Å; L399-F414 HydrophobicContact CD2-CD1 4.2Å; L399-F414 HydrophobicContact CD2-CE1 4.47Å; L399-A417 HydrophobicContact CD1-CB 4.18Å; L399-A417 HydrophobicContact CD2-CB 4.03Å; L399-I422 HydrophobicContact CB-CG2 3.88Å; L399-S424 PolarHBondContact N-O 3.45Å; L399-V425 HydrophobicContact CB-CG2 4.19Å; L399-V425 CarbonylContact O-C 3.43Å; L399-V425 WeakPolarHBondContact O-CA 3.47Å; L399-N426 PolarHBondContact O-N 3.1Å; L399-F427 HydrophobicContact CD2-CE1 4.36Å; L399-F427 HydrophobicContact CD2-CZ 3.97Å; L399-F427 HydrophobicContact CG-CE1 4.1Å; L399-F427 HydrophobicContact CG-CZ 4.22Å; L399-L442 HydrophobicContact CD2-CD1 4.42Å
400	E	81.9	Confident	75.1	Confident	62 Å²	62	68.7 Å²	68.7	29%	0.29	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	135.2	-171.2	-59.5	-175.2	128	0	0	112	N392 M398 I402 N426	N392-E400 PolarHBondContact ND2-OE2 2.9Å; M398-E400 HydrophobicContact CG-CG 3.77Å; M398-E400 HydrophobicContact SD-CG 3.85Å; E400-I402 HydrophobicContact CB-CD1 4.23Å; E400-I402 HydrophobicContact CB-CG1 4.44Å; E400-I402 HydrophobicContact CG-CD1 4.41Å; E400-N426 WeakPolarHBondContact CA-O 3.2Å; E400-N426 HydrophobicContact CG-CB 4.37Å
401	Y	82.4	Confident	76.3	Confident	25 Å²	25	69.2 Å²	69.2	10%	0.098	36%	0.361	C	S	.	.			trans	-148.6	77.4	171.8	-168.5	-105.5	0	0	0	108.5	L387 K404 A406 V409 P410 V413 N426 F427 N430	L387-Y401 HydrophobicContact CD2-CE2 4.4Å; Y401-K404 HydrophobicContact CD1-CB 4.42Å; Y401-K404 HydrophobicContact CD1-CG 4.23Å; Y401-K404 HydrophobicContact CD2-CG 4.08Å; Y401-K404 HydrophobicContact CE1-CB 3.81Å; Y401-K404 HydrophobicContact CE1-CG 3.96Å; Y401-K404 HydrophobicContact CE2-CB 4.33Å; Y401-K404 HydrophobicContact CE2-CG 3.78Å; Y401-K404 HydrophobicContact CG-CG 4.29Å; Y401-A406 HydrophobicContact CE1-CB 3.58Å; Y401-V409 HydrophobicContact CD1-CG1 4.31Å; Y401-V409 HydrophobicContact CD1-CG2 4.28Å; Y401-V409 HydrophobicContact CG-CG1 4.38Å; Y401-P410 HydrophobicContact CE1-CG 4.49Å; Y401-P410 HydrophobicContact CE2-CG 4.09Å; Y401-P410 VanDerWaalsContact CZ-CD 3.4Å; Y401-V413 HydrophobicContact CD2-CG2 3.75Å; Y401-V413 HydrophobicContact CE2-CG2 4.15Å; Y401-V413 HydrophobicContact CG-CG2 4.37Å; Y401-N426 PolarHBondContact N-O 3.29Å; Y401-F427 WeakPolarHBondContact O-CA 3.19Å; Y401-N430 PolarHBondContact O-ND2 3.3Å
402	I	75.6	Confident	77.5	Confident	52 Å²	52	69.1 Å²	69.1	27%	0.267	36%	0.361	S	S	.	.			trans	-110.5	142.9	-166.7	-52.7	164.1	0	0	0	109.9	E400 K404 N426 S428	E400-I402 HydrophobicContact CB-CD1 4.23Å; E400-I402 HydrophobicContact CB-CG1 4.44Å; E400-I402 HydrophobicContact CG-CD1 4.41Å; I402-K404 VanDerWaalsContact C-N 3.3Å; I402-K404 WeakPolarHBondContact O-CG 3.32Å; I402-K404 PolarHBondContact O-N 2.64Å; I402-N426 HydrophobicContact CD1-CB 4.02Å; I402-N426 VanDerWaalsContact CD1-CG 3.45Å; I402-N426 WeakPolarHBondContact CD1-ND2 3.29Å; I402-N426 HydrophobicContact CG1-CB 4.22Å; I402-N426 WeakPolarHBondContact CG1-O 3.35Å; I402-S428 WeakPolarHBondContact CA-O 3.48Å; I402-S428 WeakPolarHBondContact CG2-O 3.08Å
403	D	72.9	Confident	78.8	Confident	105 Å²	105	67.7 Å²	67.7	56%	0.561	35%	0.354	S	S	*	.	S	Bend	trans	56.9	39.1	170.4	-158.4	28.8	0	0	0	114.1	S428 R429	D403-S428 PolarHBondContact N-O 2.97Å; D403-R429 VanDerWaalsContact CA-O 3.26Å; D403-R429 WeakPolarHBondContact CA-O 3.07Å; D403-R429 HydrophobicContact CB-CB 4.18Å; D403-R429 PolarHBondContact N-O 3.15Å
404	K	76.3	Confident	79.6	Confident	116 Å²	116	67.9 Å²	67.9	50%	0.504	35%	0.354	S	S	.	.			trans	-99.5	-1.6	179.6	-57.5	-54.9	-176.9	-179.1	0	113.2	Y401 I402 A406 N430	Y401-K404 HydrophobicContact CD1-CB 4.42Å; Y401-K404 HydrophobicContact CD1-CG 4.23Å; Y401-K404 HydrophobicContact CD2-CG 4.08Å; Y401-K404 HydrophobicContact CE1-CB 3.81Å; Y401-K404 HydrophobicContact CE1-CG 3.96Å; Y401-K404 HydrophobicContact CE2-CB 4.33Å; Y401-K404 HydrophobicContact CE2-CG 3.78Å; Y401-K404 HydrophobicContact CG-CG 4.29Å; I402-K404 VanDerWaalsContact C-N 3.3Å; I402-K404 WeakPolarHBondContact O-CG 3.32Å; I402-K404 PolarHBondContact O-N 2.64Å; K404-A406 HydrophobicContact CB-CB 4.28Å; K404-A406 PolarHBondContact O-N 3.32Å; K404-N430 WeakPolarHBondContact CB-OD1 3.4Å; K404-N430 PolarHBondContact N-OD1 2.97Å; K404-N430 VanDerWaalsContact N-OD1 3.12Å
405	Q	77.8	Confident	80.5	Confident	142 Å²	142	64.8 Å²	64.8	66%	0.664	35%	0.345	S	S	*	.			trans	53.6	23.4	-173.9	-58.6	-171.2	-7.6	0	0	113.5	N430 Q431	Q405-N430 PolarHBondContact N-OD1 2.78Å; Q405-Q431 WeakPolarHBondContact O-CG 3.38Å; Q405-Q431 PolarHBondContact O-NE2 3.06Å; Q405-Q431 VanDerWaalsContact O-NE2 3.14Å
406	A	82.3	Confident	81.3	Confident	15 Å²	15	62.9 Å²	62.9	12%	0.124	34%	0.337	C	S	.	.			trans	-84.1	145	-170.8	0	0	0	0	0	112.7	Y401 K404 S408 N430 Q431	Y401-A406 HydrophobicContact CE1-CB 3.58Å; K404-A406 HydrophobicContact CB-CB 4.28Å; K404-A406 PolarHBondContact O-N 3.32Å; A406-S408 WeakPolarHBondContact CB-O 3.12Å; A406-N430 PolarHBondContact N-OD1 3.45Å; A406-Q431 CarbonylContact O-C 3.58Å; A406-Q431 WeakPolarHBondContact O-CA 3.47Å; A406-Q431 PolarHBondContact O-N 3.18Å
407	A	86.8	Confident	82.2	Confident	70 Å²	70	58 Å²	58	58%	0.579	31%	0.312	S	S	*	.	S	Bend	trans	-81.4	-20.2	176.1	0	0	0	0	0	113.5
408	S	88.9	Confident	81.9	Confident	82 Å²	82	55.5 Å²	55.5	57%	0.573	31%	0.311	S	S	*	.	S	Bend	trans	-144.7	159.4	175	58.5	0	0	0	0	110.1	A406 L432	A406-S408 WeakPolarHBondContact CB-O 3.12Å; S408-L432 VanDerWaalsContact CA-CD2 3.46Å
409	V	87.5	Confident	81.6	Confident	13 Å²	13	62.1 Å²	62.1	8%	0.079	34%	0.341	C	S	.	.			trans	-85.5	125.4	171.8	-177.6	0	0	0	0	108.1	Y401 V413 F414 F427 L432 P436	Y401-V409 HydrophobicContact CD1-CG1 4.31Å; Y401-V409 HydrophobicContact CD1-CG2 4.28Å; Y401-V409 HydrophobicContact CG-CG1 4.38Å; V409-V413 HydrophobicContact CG1-CB 4Å; V409-V413 HydrophobicContact CG1-CG1 4.09Å; V409-V413 HydrophobicContact CG1-CG2 4.24Å; V409-F414 HydrophobicContact CB-CE2 3.77Å; V409-F414 HydrophobicContact CB-CZ 4.12Å; V409-F414 HydrophobicContact CG1-CD2 4.27Å; V409-F414 HydrophobicContact CG1-CE2 3.48Å; V409-F414 VanDerWaalsContact CG1-CE2 3.48Å; V409-F414 HydrophobicContact CG1-CZ 3.86Å; V409-F427 HydrophobicContact CG1-CE1 4.17Å; V409-F427 HydrophobicContact CG1-CE2 4.3Å; V409-F427 HydrophobicContact CG1-CZ 4.01Å; V409-F427 HydrophobicContact CG2-CB 4.26Å; V409-F427 HydrophobicContact CG2-CD1 4.35Å; V409-F427 HydrophobicContact CG2-CD2 3.75Å; V409-F427 HydrophobicContact CG2-CE2 4.03Å; V409-F427 HydrophobicContact CG2-CG 3.9Å; V409-F427 HydrophobicContact CG2-CZ 4.46Å; V409-L432 HydrophobicContact CG2-CD1 4.1Å; V409-L432 HydrophobicContact CG2-CD2 4.08Å; V409-P436 HydrophobicContact CG2-CG 3.92Å
410	P	87.8	Confident	81.2	Confident	34 Å²	34	64.9 Å²	64.9	22%	0.221	35%	0.354	C	S	.	.			trans	-61.8	146.3	178.8	-23	33.1	0	0	0	113	L387 Y401 E412 V413	L387-P410 HydrophobicContact CD2-CB 4.14Å; L387-P410 HydrophobicContact CD2-CG 3.89Å; Y401-P410 HydrophobicContact CE1-CG 4.49Å; Y401-P410 HydrophobicContact CE2-CG 4.09Å; Y401-P410 VanDerWaalsContact CZ-CD 3.4Å; P410-E412 PolarHBondContact O-N 3.17Å; P410-V413 HydrophobicContact CB-CG2 4.29Å; P410-V413 HydrophobicContact CG-CG2 4.43Å; P410-V413 WeakPolarHBondContact O-CB 3.3Å; P410-V413 PolarHBondContact O-N 3.15Å; P410-V413 VanDerWaalsContact O-N 3.15Å
411	D	85.6	Confident	81.3	Confident	98 Å²	98	64.7 Å²	64.7	52%	0.524	36%	0.363	S	S	.	.	H	α-helix	trans	-59.8	-34.5	178.7	-78.6	-38.8	0	0	0	113	V413 F414 D415 R438	D411-V413 PolarHBondContact O-N 3.01Å; D411-V413 VanDerWaalsContact O-N 3.13Å; D411-F414 PolarHBondContact O-N 2.96Å; D411-D415 PolarHBondContact O-N 3.33Å; D411-R438 VanDerWaalsContact CB-NH1 3.31Å; D411-R438 PolarHBondContact O-NH1 3.32Å; D411-R438 WeakPolarHBondContact OD1-CD 3.07Å; D411-R438 IonicContact OD1-CZ 3.49Å; D411-R438 IonicContact OD1-NE 3.85Å; D411-R438 IonicContact OD1-NH1 3.6Å; D411-R438 PolarHBondContact OD1-NH1 3.46Å
412	E	83	Confident	81.5	Confident	116 Å²	116	63.5 Å²	63.5	54%	0.542	36%	0.358	S	S	.	.	H	α-helix	trans	-56.2	-31.5	177.7	-63.1	165.5	-172.3	0	0	112.9	P410 D415 A416	P410-E412 PolarHBondContact O-N 3.17Å; E412-D415 PolarHBondContact O-N 2.86Å; E412-A416 PolarHBondContact O-N 3.1Å; E412-A416 VanDerWaalsContact O-N 3.12Å
413	V	84.8	Confident	82	Confident	0 Å²	0	63.4 Å²	63.4	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-66.5	-43.8	176.9	179.1	0	0	0	0	109.9	V388 L399 Y401 V409 P410 D411 F427	V388-V413 HydrophobicContact CG2-CG2 4.2Å; L399-V413 HydrophobicContact CD1-CG1 3.61Å; L399-V413 WeakPolarHBondContact CD1-O 3.15Å; L399-V413 HydrophobicContact CD2-CG1 4.21Å; L399-V413 HydrophobicContact CG-CG1 3.94Å; Y401-V413 HydrophobicContact CD2-CG2 3.75Å; Y401-V413 HydrophobicContact CE2-CG2 4.15Å; Y401-V413 HydrophobicContact CG-CG2 4.37Å; V409-V413 HydrophobicContact CG1-CB 4Å; V409-V413 HydrophobicContact CG1-CG1 4.09Å; V409-V413 HydrophobicContact CG1-CG2 4.24Å; P410-V413 HydrophobicContact CB-CG2 4.29Å; P410-V413 HydrophobicContact CG-CG2 4.43Å; P410-V413 WeakPolarHBondContact O-CB 3.3Å; P410-V413 PolarHBondContact O-N 3.15Å; P410-V413 VanDerWaalsContact O-N 3.15Å; D411-V413 PolarHBondContact O-N 3.01Å; D411-V413 VanDerWaalsContact O-N 3.13Å; V413-F427 HydrophobicContact CG1-CE1 4.3Å
414	F	86.4	Confident	82.4	Confident	7 Å²	7	59.4 Å²	59.4	3%	0.031	34%	0.34	C	S	.	.	H	α-helix	trans	-72.2	-36.8	176.7	-63.1	-80.1	0	0	0	111.8	L399 V409 D411 A416 A417 A418 F427 P436 R438 L439	L399-F414 HydrophobicContact CD2-CD1 4.2Å; L399-F414 HydrophobicContact CD2-CE1 4.47Å; V409-F414 HydrophobicContact CB-CE2 3.77Å; V409-F414 HydrophobicContact CB-CZ 4.12Å; V409-F414 HydrophobicContact CG1-CD2 4.27Å; V409-F414 HydrophobicContact CG1-CE2 3.48Å; V409-F414 VanDerWaalsContact CG1-CE2 3.48Å; V409-F414 HydrophobicContact CG1-CZ 3.86Å; D411-F414 PolarHBondContact O-N 2.96Å; F414-A416 VanDerWaalsContact C-N 3.28Å; F414-A416 PolarHBondContact O-N 2.95Å; F414-A417 CarbonylContact O-C 3.41Å; F414-A417 WeakPolarHBondContact O-CA 3.28Å; F414-A417 WeakPolarHBondContact O-CB 3.36Å; F414-A417 PolarHBondContact O-N 2.67Å; F414-A418 PolarHBondContact O-N 2.89Å; F414-A418 VanDerWaalsContact O-N 3.07Å; F414-F427 HydrophobicContact CE1-CE2 4.04Å; F414-F427 AromaticContact CE1-CZ 3.97Å; F414-F427 HydrophobicContact CE1-CZ 3.97Å; F414-F427 AromaticContact CZ-CE2 3.8Å; F414-F427 HydrophobicContact CZ-CE2 3.8Å; F414-F427 AromaticContact CZ-CZ 3.92Å; F414-F427 HydrophobicContact CZ-CZ 3.92Å; F414-P436 HydrophobicContact CZ-CB 3.88Å; F414-R438 HydrophobicContact CD1-CB 3.89Å; F414-R438 HydrophobicContact CD2-CB 4.02Å; F414-R438 HydrophobicContact CE1-CB 4.04Å; F414-R438 HydrophobicContact CE2-CB 4.15Å; F414-R438 HydrophobicContact CG-CB 3.89Å; F414-R438 HydrophobicContact CZ-CB 4.17Å; F414-L439 HydrophobicContact CE1-CD2 4.34Å; F414-L439 HydrophobicContact CE1-CG 4.44Å
415	D	84.8	Confident	83	Confident	86 Å²	86	53.9 Å²	53.9	46%	0.46	32%	0.316	S	S	.	.	H	α-helix	trans	-63.1	-36.2	179.7	-62.6	-18.7	0	0	0	111.7	D411 E412 A417 A418 R438	D411-D415 PolarHBondContact O-N 3.33Å; E412-D415 PolarHBondContact O-N 2.86Å; D415-A417 PolarHBondContact O-N 3.36Å; D415-A418 WeakPolarHBondContact O-CB 3.33Å; D415-A418 PolarHBondContact O-N 2.88Å; D415-R438 IonicContact OD1-CZ 2.79Å; D415-R438 IonicContact OD1-NH1 3.23Å; D415-R438 PolarHBondContact OD1-NH1 3.25Å; D415-R438 IonicContact OD1-NH2 2.77Å; D415-R438 PolarHBondContact OD1-NH2 3.07Å
416	A	79.4	Confident	83.3	Confident	36 Å²	36	48.5 Å²	48.5	30%	0.298	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-20.9	173.3	0	0	0	0	0	114	V388 I393 E412 F414	V388-A416 HydrophobicContact CB-CB 4.36Å; V388-A416 HydrophobicContact CG1-CB 3.52Å; V388-A416 HydrophobicContact CG2-CB 4.34Å; I393-A416 HydrophobicContact CD1-CB 3.84Å; E412-A416 PolarHBondContact O-N 3.1Å; E412-A416 VanDerWaalsContact O-N 3.12Å; F414-A416 VanDerWaalsContact C-N 3.28Å; F414-A416 PolarHBondContact O-N 2.95Å
417	A	79.5	Confident	83.6	Confident	1 Å²	1	47.8 Å²	47.8	1%	0.008	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.6	-7.7	177.9	0	0	0	0	0	113.8	L399 F414 D415 H419 Q420 I422	L399-A417 HydrophobicContact CD1-CB 4.18Å; L399-A417 HydrophobicContact CD2-CB 4.03Å; F414-A417 CarbonylContact O-C 3.41Å; F414-A417 WeakPolarHBondContact O-CA 3.28Å; F414-A417 WeakPolarHBondContact O-CB 3.36Å; F414-A417 PolarHBondContact O-N 2.67Å; D415-A417 PolarHBondContact O-N 3.36Å; A417-H419 PolarHBondContact O-N 2.78Å; A417-Q420 PolarHBondContact O-N 3.26Å; A417-I422 HydrophobicContact CB-CD1 4.14Å; A417-I422 HydrophobicContact CB-CG1 3.77Å
418	A	73.5	Confident	83.1	Confident	55 Å²	55	44.9 Å²	44.9	46%	0.455	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-12.9	-167.4	0	0	0	0	0	116.1	F414 D415	F414-A418 PolarHBondContact O-N 2.89Å; F414-A418 VanDerWaalsContact O-N 3.07Å; D415-A418 WeakPolarHBondContact O-CB 3.33Å; D415-A418 PolarHBondContact O-N 2.88Å
419	H	72.1	Confident	82.6	Confident	189 Å²	189	47.6 Å²	47.6	88%	0.875	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.3	13.6	179.2	-58.7	-41.3	0	0	0	113.9	A417	A417-H419 PolarHBondContact O-N 2.78Å
420	Q	77.1	Confident	82.4	Confident	59 Å²	59	47.5 Å²	47.5	28%	0.276	26%	0.258	S	S	.	.	S	Bend	trans	-123.2	140.7	-177.4	-58.5	-165.9	36.7	0	0	111	I393 K394 A417 I422	I393-Q420 HydrophobicContact CG2-CB 4.3Å; I393-Q420 VanDerWaalsContact CG2-CD 3.42Å; I393-Q420 HydrophobicContact CG2-CG 4.26Å; I393-Q420 PolarHBondContact O-OE1 3.47Å; K394-Q420 VanDerWaalsContact CA-OE1 3.27Å; A417-Q420 PolarHBondContact O-N 3.26Å; Q420-I422 VanDerWaalsContact C-N 3.31Å; Q420-I422 HydrophobicContact CB-CD1 4.09Å; Q420-I422 PolarHBondContact O-N 3.25Å
421	A	82.6	Confident	82.5	Confident	58 Å²	58	48.9 Å²	48.9	48%	0.479	26%	0.261	S	S	.	.			trans	-78.3	82.3	175.5	0	0	0	0	0	109.7	T423	A421-T423 PolarHBondContact O-N 3.4Å
422	I	87.9	Confident	82.7	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.237	C	C	.	.			trans	-68.6	123.5	178.7	-57.9	-55	0	0	0	109.9	I393 K397 L399 A417 Q420 S424 V425 L442 S445 L446	I393-I422 HydrophobicContact CG2-CD1 3.72Å; K397-I422 CarbonylContact O-C 3.55Å; K397-I422 WeakPolarHBondContact O-CA 3.32Å; K397-I422 WeakPolarHBondContact O-CG2 3.27Å; L399-I422 HydrophobicContact CB-CG2 3.88Å; A417-I422 HydrophobicContact CB-CD1 4.14Å; A417-I422 HydrophobicContact CB-CG1 3.77Å; Q420-I422 VanDerWaalsContact C-N 3.31Å; Q420-I422 HydrophobicContact CB-CD1 4.09Å; Q420-I422 PolarHBondContact O-N 3.25Å; I422-S424 VanDerWaalsContact CG2-O 3.27Å; I422-S424 WeakPolarHBondContact CG2-O 3.25Å; I422-V425 HydrophobicContact CG2-CG2 4.11Å; I422-L442 HydrophobicContact CB-CD1 4.13Å; I422-L442 HydrophobicContact CB-CD2 4.15Å; I422-L442 HydrophobicContact CG1-CD2 4.17Å; I422-L442 HydrophobicContact CG2-CD1 4.19Å; I422-S445 CarbonylContact O-C 3.58Å; I422-S445 WeakPolarHBondContact O-CB 3.26Å; I422-S445 PolarHBondContact O-OG 3.01Å; I422-L446 PolarHBondContact O-N 3.3Å
423	T	84.4	Confident	83.1	Confident	50 Å²	50	42.8 Å²	42.8	31%	0.307	24%	0.236	S	C	.	.			trans	-95.7	-27.8	179.1	52.7	0	0	0	0	112.2	K397 A421 S447 D448	K397-T423 HydrophobicContact CB-CG2 4.44Å; K397-T423 HydrophobicContact CD-CG2 4.34Å; K397-T423 PolarHBondContact O-N 3.48Å; K397-T423 PolarHBondContact O-OG1 2.82Å; A421-T423 PolarHBondContact O-N 3.4Å; T423-S447 PolarHBondContact O-N 3.24Å; T423-S447 PolarHBondContact O-OG 3.35Å; T423-D448 PolarHBondContact O-N 3.12Å; T423-D448 VanDerWaalsContact O-N 3.1Å
424	S	82.2	Confident	83.4	Confident	21 Å²	21	45.5 Å²	45.5	15%	0.147	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	138.6	-177.1	-178.2	0	0	0	0	112.3	K397 M398 L399 I422 D448	K397-S424 PolarHBondContact O-N 3.09Å; M398-S424 CarbonylContact C-O 3.4Å; M398-S424 VanDerWaalsContact CA-O 3.29Å; M398-S424 WeakPolarHBondContact CA-O 3.26Å; L399-S424 PolarHBondContact N-O 3.45Å; I422-S424 VanDerWaalsContact CG2-O 3.27Å; I422-S424 WeakPolarHBondContact CG2-O 3.25Å; S424-D448 CarbonylContact C-O 3.6Å; S424-D448 WeakPolarHBondContact CA-O 3.37Å
425	V	89.1	Confident	83.5	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	133	174.9	171.1	0	0	0	0	110.4	L399 I422 F427 L439 L442 L446 D448 N450	L399-V425 HydrophobicContact CB-CG2 4.19Å; L399-V425 CarbonylContact O-C 3.43Å; L399-V425 WeakPolarHBondContact O-CA 3.47Å; I422-V425 HydrophobicContact CG2-CG2 4.11Å; V425-F427 HydrophobicContact CG1-CD1 3.85Å; V425-F427 HydrophobicContact CG1-CD2 3.56Å; V425-F427 HydrophobicContact CG1-CE1 3.65Å; V425-F427 HydrophobicContact CG1-CE2 3.35Å; V425-F427 HydrophobicContact CG1-CG 3.83Å; V425-F427 HydrophobicContact CG1-CZ 3.4Å; V425-L439 HydrophobicContact CB-CD2 4.39Å; V425-L439 HydrophobicContact CG1-CD2 3.98Å; V425-L439 HydrophobicContact CG2-CD2 4.07Å; V425-L442 HydrophobicContact CG2-CD1 3.87Å; V425-L446 HydrophobicContact CB-CD1 4.08Å; V425-L446 HydrophobicContact CG2-CD1 3.54Å; V425-L446 HydrophobicContact CG2-CD2 4.07Å; V425-D448 PolarHBondContact N-O 3.24Å; V425-N450 PolarHBondContact O-N 2.9Å
426	N	82.9	Confident	83.8	Confident	28 Å²	28	43 Å²	43	15%	0.15	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	103.2	174.3	-170.5	-7.4	0	0	0	111.6	L399 E400 Y401 I402 S428 N450	L399-N426 PolarHBondContact O-N 3.1Å; E400-N426 WeakPolarHBondContact CA-O 3.2Å; E400-N426 HydrophobicContact CG-CB 4.37Å; Y401-N426 PolarHBondContact N-O 3.29Å; I402-N426 HydrophobicContact CD1-CB 4.02Å; I402-N426 VanDerWaalsContact CD1-CG 3.45Å; I402-N426 WeakPolarHBondContact CD1-ND2 3.29Å; I402-N426 HydrophobicContact CG1-CB 4.22Å; I402-N426 WeakPolarHBondContact CG1-O 3.35Å; N426-S428 WeakPolarHBondContact OD1-CB 3.44Å; N426-S428 PolarHBondContact OD1-N 2.85Å; N426-S428 PolarHBondContact OD1-OG 3.12Å; N426-N450 HydrophobicContact CB-CB 4.37Å; N426-N450 PolarHBondContact OD1-ND2 2.85Å
427	F	88.6	Confident	84.2	Confident	0 Å²	0	46 Å²	46	0%	0	26%	0.261	C	S	.	.			trans	-115.1	32.2	175	-50.8	-36.6	0	0	0	112.1	L399 Y401 V409 V413 F414 V425 N430 L432 P436 L439 N450 L451 N454	L399-F427 HydrophobicContact CD2-CE1 4.36Å; L399-F427 HydrophobicContact CD2-CZ 3.97Å; L399-F427 HydrophobicContact CG-CE1 4.1Å; L399-F427 HydrophobicContact CG-CZ 4.22Å; Y401-F427 WeakPolarHBondContact O-CA 3.19Å; V409-F427 HydrophobicContact CG1-CE1 4.17Å; V409-F427 HydrophobicContact CG1-CE2 4.3Å; V409-F427 HydrophobicContact CG1-CZ 4.01Å; V409-F427 HydrophobicContact CG2-CB 4.26Å; V409-F427 HydrophobicContact CG2-CD1 4.35Å; V409-F427 HydrophobicContact CG2-CD2 3.75Å; V409-F427 HydrophobicContact CG2-CE2 4.03Å; V409-F427 HydrophobicContact CG2-CG 3.9Å; V409-F427 HydrophobicContact CG2-CZ 4.46Å; V413-F427 HydrophobicContact CG1-CE1 4.3Å; F414-F427 HydrophobicContact CE1-CE2 4.04Å; F414-F427 AromaticContact CE1-CZ 3.97Å; F414-F427 HydrophobicContact CE1-CZ 3.97Å; F414-F427 AromaticContact CZ-CE2 3.8Å; F414-F427 HydrophobicContact CZ-CE2 3.8Å; F414-F427 AromaticContact CZ-CZ 3.92Å; F414-F427 HydrophobicContact CZ-CZ 3.92Å; V425-F427 HydrophobicContact CG1-CD1 3.85Å; V425-F427 HydrophobicContact CG1-CD2 3.56Å; V425-F427 HydrophobicContact CG1-CE1 3.65Å; V425-F427 HydrophobicContact CG1-CE2 3.35Å; V425-F427 HydrophobicContact CG1-CG 3.83Å; V425-F427 HydrophobicContact CG1-CZ 3.4Å; F427-N430 PolarHBondContact O-ND2 2.63Å; F427-N430 VanDerWaalsContact O-ND2 3.08Å; F427-L432 HydrophobicContact CB-CD1 4.13Å; F427-P436 HydrophobicContact CD2-CG 4.21Å; F427-P436 HydrophobicContact CE2-CG 4.41Å; F427-L439 HydrophobicContact CE2-CD2 3.84Å; F427-L439 HydrophobicContact CE2-CG 4.36Å; F427-N450 PolarHBondContact N-O 3.07Å; F427-L451 HydrophobicContact CB-CD2 3.75Å; F427-L451 HydrophobicContact CD2-CD2 3.86Å; F427-L451 HydrophobicContact CG-CD2 4.23Å; F427-N454 PolarHBondContact O-ND2 2.87Å
428	S	77.1	Confident	84.6	Confident	9 Å²	9	48.2 Å²	48.2	6%	0.063	27%	0.269	C	S	.	.			trans	-71.9	161.5	-178.5	62.7	0	0	0	0	113.5	I402 D403 N426 N430 G452	I402-S428 WeakPolarHBondContact CA-O 3.48Å; I402-S428 WeakPolarHBondContact CG2-O 3.08Å; D403-S428 PolarHBondContact N-O 2.97Å; N426-S428 WeakPolarHBondContact OD1-CB 3.44Å; N426-S428 PolarHBondContact OD1-N 2.85Å; N426-S428 PolarHBondContact OD1-OG 3.12Å; S428-N430 PolarHBondContact O-ND2 3.45Å; S428-G452 CarbonylContact C-O 3.53Å; S428-G452 WeakPolarHBondContact CA-O 3.09Å; S428-G452 WeakPolarHBondContact CB-O 3.08Å
429	R	78.4	Confident	85.4	Confident	140 Å²	140	46 Å²	46	53%	0.528	25%	0.25	S	C	.	.	S	Bend	trans	60.2	44.9	178.3	-56.4	180	-179	-125.6	3	113.3	D403 G452 F453	D403-R429 VanDerWaalsContact CA-O 3.26Å; D403-R429 WeakPolarHBondContact CA-O 3.07Å; D403-R429 HydrophobicContact CB-CB 4.18Å; D403-R429 PolarHBondContact N-O 3.15Å; R429-G452 PolarHBondContact N-O 3.23Å; R429-F453 CarbonylContact C-O 3.47Å; R429-F453 VanDerWaalsContact CA-O 3.23Å; R429-F453 WeakPolarHBondContact CA-O 3.29Å; R429-F453 HydrophobicContact CB-CB 4.45Å; R429-F453 HydrophobicContact CG-CB 3.95Å; R429-F453 HydrophobicContact CG-CD2 4.29Å; R429-F453 HydrophobicContact CG-CG 4.26Å; R429-F453 PolarHBondContact N-O 3.07Å
430	N	83.7	Confident	86.1	Confident	11 Å²	11	39.7 Å²	39.7	6%	0.059	22%	0.222	C	C	.	.	S	Bend	trans	-120.4	-168	174.1	-74.2	-60.5	0	0	0	110.7	Y401 K404 Q405 A406 F427 S428 L432 F453 N454	Y401-N430 PolarHBondContact O-ND2 3.3Å; K404-N430 WeakPolarHBondContact CB-OD1 3.4Å; K404-N430 PolarHBondContact N-OD1 2.97Å; K404-N430 VanDerWaalsContact N-OD1 3.12Å; Q405-N430 PolarHBondContact N-OD1 2.78Å; A406-N430 PolarHBondContact N-OD1 3.45Å; F427-N430 PolarHBondContact O-ND2 2.63Å; F427-N430 VanDerWaalsContact O-ND2 3.08Å; S428-N430 PolarHBondContact O-ND2 3.45Å; N430-L432 HydrophobicContact CB-CG 4.04Å; N430-F453 PolarHBondContact N-O 2.91Å; N430-F453 VanDerWaalsContact N-O 3.14Å; N430-N454 VanDerWaalsContact CA-OD1 3.31Å; N430-N454 WeakPolarHBondContact CA-OD1 3.39Å; N430-N454 WeakPolarHBondContact CB-OD1 3.46Å; N430-N454 PolarHBondContact N-OD1 2.83Å; N430-N454 PolarHBondContact O-OD1 3.37Å
431	Q	89.8	Confident	86.6	Confident	62 Å²	62	41.6 Å²	41.6	29%	0.29	23%	0.231	S	C	.	.			trans	-113.3	29	176.3	-56.4	-172.2	38.6	0	0	111.6	Q405 A406 T433 N454	Q405-Q431 WeakPolarHBondContact O-CG 3.38Å; Q405-Q431 PolarHBondContact O-NE2 3.06Å; Q405-Q431 VanDerWaalsContact O-NE2 3.14Å; A406-Q431 CarbonylContact O-C 3.58Å; A406-Q431 WeakPolarHBondContact O-CA 3.47Å; A406-Q431 PolarHBondContact O-N 3.18Å; Q431-T433 PolarHBondContact O-N 3.48Å; Q431-N454 PolarHBondContact N-OD1 3.25Å
432	L	89.8	Confident	86.8	Confident	2 Å²	2	39.5 Å²	39.5	1%	0.01	21%	0.212	C	C	.	.			trans	-62.7	127	-177.3	-56.7	178.2	0	0	0	110.5	S408 V409 F427 N430 P436 L451 N454 R455 L456	S408-L432 VanDerWaalsContact CA-CD2 3.46Å; V409-L432 HydrophobicContact CG2-CD1 4.1Å; V409-L432 HydrophobicContact CG2-CD2 4.08Å; F427-L432 HydrophobicContact CB-CD1 4.13Å; N430-L432 HydrophobicContact CB-CG 4.04Å; L432-P436 HydrophobicContact CD1-CG 4.29Å; L432-L451 HydrophobicContact CD1-CD2 4.43Å; L432-N454 HydrophobicContact CB-CB 4.21Å; L432-N454 VanDerWaalsContact CB-OD1 3.29Å; L432-N454 WeakPolarHBondContact CB-OD1 3.31Å; L432-N454 VanDerWaalsContact CG-OD1 3.26Å; L432-N454 WeakPolarHBondContact CG-OD1 3.4Å; L432-N454 PolarHBondContact N-OD1 3.31Å; L432-R455 CarbonylContact O-C 3.43Å; L432-R455 VanDerWaalsContact O-CA 3.29Å; L432-R455 WeakPolarHBondContact O-CA 3.42Å; L432-R455 PolarHBondContact O-N 3.12Å; L432-L456 HydrophobicContact CB-CD2 4.18Å; L432-L456 PolarHBondContact O-N 2.98Å
433	T	91.1	Very high	86.8	Confident	85 Å²	85	44.3 Å²	44.3	52%	0.521	23%	0.234	S	C	.	.			trans	-97.5	-19.8	177.5	54.9	0	0	0	0	113.2	Q431 R455	Q431-T433 PolarHBondContact O-N 3.48Å; T433-R455 HydrophobicContact CG2-CB 4.32Å
434	A	90.1	Very high	86.8	Confident	57 Å²	57	45.2 Å²	45.2	47%	0.471	24%	0.242	S	C	.	.	S	Bend	trans	-138.7	162.1	177.2	0	0	0	0	0	111.3	L456	A434-L456 WeakPolarHBondContact O-CD2 3.31Å
435	F	89.6	Confident	87.2	Confident	25 Å²	25	45 Å²	45	11%	0.11	24%	0.241	C	C	.	.			trans	-66.5	131.7	174.8	-80.3	-106.3	0	0	0	110.1	P437 L451 L456 C458 C459 I463 L474	F435-P437 WeakPolarHBondContact O-CD 3.5Å; F435-L451 HydrophobicContact CD1-CD1 3.46Å; F435-L451 VanDerWaalsContact CD1-CD1 3.46Å; F435-L451 HydrophobicContact CE1-CD1 3.25Å; F435-L451 HydrophobicContact CG-CD1 4.33Å; F435-L451 HydrophobicContact CZ-CD1 3.96Å; F435-L456 HydrophobicContact CD2-CD1 4.29Å; F435-L456 HydrophobicContact CD2-CD2 4.26Å; F435-L456 HydrophobicContact CE2-CD1 3.74Å; F435-L456 HydrophobicContact CE2-CD2 4.43Å; F435-L456 HydrophobicContact CE2-CG 4.48Å; F435-L456 HydrophobicContact CZ-CD1 4Å; F435-C458 WeakPolarHBondContact CD2-O 3.27Å; F435-C458 VanDerWaalsContact CE2-O 3.31Å; F435-C458 WeakPolarHBondContact CE2-O 3.46Å; F435-C459 VanDerWaalsContact CE2-CA 3.45Å; F435-C459 HydrophobicContact CE2-CB 3.95Å; F435-C459 HydrophobicContact CZ-CB 4.14Å; F435-C459 VanDerWaalsContact CZ-SG 3.58Å; F435-I463 HydrophobicContact CD1-CD1 4Å; F435-I463 HydrophobicContact CE1-CD1 3.56Å; F435-L474 HydrophobicContact CE1-CD2 3.99Å; F435-L474 HydrophobicContact CZ-CD1 4.13Å; F435-L474 HydrophobicContact CZ-CD2 3.62Å
436	P	90.3	Very high	87.3	Confident	14 Å²	14	45 Å²	45	9%	0.091	24%	0.241	C	C	.	.			trans	-62.2	121.2	176.6	-23	32.4	0	0	0	111.2	V409 F414 F427 L432 R438 L439	V409-P436 HydrophobicContact CG2-CG 3.92Å; F414-P436 HydrophobicContact CZ-CB 3.88Å; F427-P436 HydrophobicContact CD2-CG 4.21Å; F427-P436 HydrophobicContact CE2-CG 4.41Å; L432-P436 HydrophobicContact CD1-CG 4.29Å; P436-R438 VanDerWaalsContact C-N 3.27Å; P436-R438 PolarHBondContact O-N 3.14Å; P436-L439 HydrophobicContact CB-CD1 4.25Å; P436-L439 HydrophobicContact CB-CG 4.23Å; P436-L439 HydrophobicContact CG-CD1 4.23Å; P436-L439 WeakPolarHBondContact O-CB 3.43Å; P436-L439 PolarHBondContact O-N 3.49Å
437	P	87.5	Confident	87.5	Confident	99 Å²	99	44.8 Å²	44.8	64%	0.643	24%	0.242	S	C	*	.	G	3₁₀ helix	trans	-65.4	-30.4	-173.9	24.9	-33.8	0	0	0	112.6	F435 L439 L440	F435-P437 WeakPolarHBondContact O-CD 3.5Å; P437-L439 PolarHBondContact O-N 3.44Å; P437-L440 WeakPolarHBondContact O-CB 3.17Å; P437-L440 WeakPolarHBondContact O-CD1 3.48Å; P437-L440 VanDerWaalsContact O-CG 3.26Å; P437-L440 WeakPolarHBondContact O-CG 3.26Å; P437-L440 PolarHBondContact O-N 3.46Å
438	R	89.9	Confident	87.1	Confident	49 Å²	49	47 Å²	47	19%	0.185	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-69.8	-7.6	178.9	-64.3	-169.3	67.9	-171.1	-5.4	114.3	D411 F414 D415 P436 L440 E441	D411-R438 VanDerWaalsContact CB-NH1 3.31Å; D411-R438 PolarHBondContact O-NH1 3.32Å; D411-R438 WeakPolarHBondContact OD1-CD 3.07Å; D411-R438 IonicContact OD1-CZ 3.49Å; D411-R438 IonicContact OD1-NE 3.85Å; D411-R438 IonicContact OD1-NH1 3.6Å; D411-R438 PolarHBondContact OD1-NH1 3.46Å; F414-R438 HydrophobicContact CD1-CB 3.89Å; F414-R438 HydrophobicContact CD2-CB 4.02Å; F414-R438 HydrophobicContact CE1-CB 4.04Å; F414-R438 HydrophobicContact CE2-CB 4.15Å; F414-R438 HydrophobicContact CG-CB 3.89Å; F414-R438 HydrophobicContact CZ-CB 4.17Å; D415-R438 IonicContact OD1-CZ 2.79Å; D415-R438 IonicContact OD1-NH1 3.23Å; D415-R438 PolarHBondContact OD1-NH1 3.25Å; D415-R438 IonicContact OD1-NH2 2.77Å; D415-R438 PolarHBondContact OD1-NH2 3.07Å; P436-R438 VanDerWaalsContact C-N 3.27Å; P436-R438 PolarHBondContact O-N 3.14Å; R438-L440 PolarHBondContact O-N 3.48Å; R438-L440 VanDerWaalsContact O-N 3.15Å; R438-E441 WeakPolarHBondContact CG-OE1 3.43Å; R438-E441 IonicContact CZ-OE1 3.77Å; R438-E441 IonicContact CZ-OE2 3.9Å; R438-E441 IonicContact NE-OE1 3.38Å; R438-E441 PolarHBondContact NE-OE1 2.88Å; R438-E441 IonicContact NE-OE2 2.67Å; R438-E441 IonicContact NH2-OE1 2.63Å; R438-E441 IonicContact NH2-OE2 3.58Å; R438-E441 PolarHBondContact NH2-OE2 3.26Å; R438-E441 VanDerWaalsContact NH2-OE2 3.09Å; R438-E441 WeakPolarHBondContact O-CB 3.36Å; R438-E441 WeakPolarHBondContact O-CG 3.33Å; R438-E441 PolarHBondContact O-N 2.9Å
439	L	88.8	Confident	87.8	Confident	7 Å²	7	46.7 Å²	46.7	4%	0.037	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-57.8	-25.7	168.1	-77.8	170.6	0	0	0	112.6	F414 V425 F427 P436 P437 E441 L442 L446	F414-L439 HydrophobicContact CE1-CD2 4.34Å; F414-L439 HydrophobicContact CE1-CG 4.44Å; V425-L439 HydrophobicContact CB-CD2 4.39Å; V425-L439 HydrophobicContact CG1-CD2 3.98Å; V425-L439 HydrophobicContact CG2-CD2 4.07Å; F427-L439 HydrophobicContact CE2-CD2 3.84Å; F427-L439 HydrophobicContact CE2-CG 4.36Å; P436-L439 HydrophobicContact CB-CD1 4.25Å; P436-L439 HydrophobicContact CB-CG 4.23Å; P436-L439 HydrophobicContact CG-CD1 4.23Å; P436-L439 WeakPolarHBondContact O-CB 3.43Å; P436-L439 PolarHBondContact O-N 3.49Å; P437-L439 PolarHBondContact O-N 3.44Å; L439-E441 PolarHBondContact O-N 3.14Å; L439-L442 PolarHBondContact O-N 3.04Å; L439-L442 VanDerWaalsContact O-N 3.08Å; L439-L446 HydrophobicContact CD2-CD2 4.23Å
440	L	87	Confident	88.2	Confident	58 Å²	58	41.9 Å²	41.9	30%	0.304	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	-65.9	-23	177.4	-59.2	171.4	0	0	0	113.1	P437 R438 L442 H443 D462 S465	P437-L440 WeakPolarHBondContact O-CB 3.17Å; P437-L440 WeakPolarHBondContact O-CD1 3.48Å; P437-L440 VanDerWaalsContact O-CG 3.26Å; P437-L440 WeakPolarHBondContact O-CG 3.26Å; P437-L440 PolarHBondContact O-N 3.46Å; R438-L440 PolarHBondContact O-N 3.48Å; R438-L440 VanDerWaalsContact O-N 3.15Å; L440-L442 PolarHBondContact O-N 3.3Å; L440-H443 WeakPolarHBondContact O-CB 3.41Å; L440-H443 PolarHBondContact O-N 3.06Å; L440-H443 PolarHBondContact O-ND1 2.89Å; L440-D462 HydrophobicContact CD1-CB 3.82Å; L440-D462 HydrophobicContact CD2-CB 3.65Å; L440-D462 WeakPolarHBondContact CD2-O 3.28Å; L440-D462 HydrophobicContact CG-CB 4.24Å; L440-S465 VanDerWaalsContact CD2-OG 3.27Å; L440-S465 WeakPolarHBondContact CD2-OG 3.41Å
441	E	88.1	Confident	88.4	Confident	99 Å²	99	41.3 Å²	41.3	46%	0.463	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-61	-27.2	173.4	-63.8	173.9	-159	0	0	111	R438 L439	R438-E441 WeakPolarHBondContact CG-OE1 3.43Å; R438-E441 IonicContact CZ-OE1 3.77Å; R438-E441 IonicContact CZ-OE2 3.9Å; R438-E441 IonicContact NE-OE1 3.38Å; R438-E441 PolarHBondContact NE-OE1 2.88Å; R438-E441 IonicContact NE-OE2 2.67Å; R438-E441 IonicContact NH2-OE1 2.63Å; R438-E441 IonicContact NH2-OE2 3.58Å; R438-E441 PolarHBondContact NH2-OE2 3.26Å; R438-E441 VanDerWaalsContact NH2-OE2 3.09Å; R438-E441 WeakPolarHBondContact O-CB 3.36Å; R438-E441 WeakPolarHBondContact O-CG 3.33Å; R438-E441 PolarHBondContact O-N 2.9Å; L439-E441 PolarHBondContact O-N 3.14Å
442	L	87.3	Confident	87.8	Confident	14 Å²	14	38.4 Å²	38.4	7%	0.073	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-93.4	8.4	-177.5	-54.4	178.1	0	0	0	114.1	L399 I422 V425 L439 L440 S444 S445 L446	L399-L442 HydrophobicContact CD2-CD1 4.42Å; I422-L442 HydrophobicContact CB-CD1 4.13Å; I422-L442 HydrophobicContact CB-CD2 4.15Å; I422-L442 HydrophobicContact CG1-CD2 4.17Å; I422-L442 HydrophobicContact CG2-CD1 4.19Å; V425-L442 HydrophobicContact CG2-CD1 3.87Å; L439-L442 PolarHBondContact O-N 3.04Å; L439-L442 VanDerWaalsContact O-N 3.08Å; L440-L442 PolarHBondContact O-N 3.3Å; L442-S444 PolarHBondContact O-N 3.17Å; L442-S445 PolarHBondContact O-N 3.13Å; L442-L446 HydrophobicContact CB-CB 4.12Å; L442-L446 HydrophobicContact CB-CD2 4.19Å; L442-L446 HydrophobicContact CD1-CD2 4.49Å; L442-L446 WeakPolarHBondContact O-CB 3.37Å; L442-L446 PolarHBondContact O-N 2.89Å
443	H	86.3	Confident	87.4	Confident	100 Å²	100	42 Å²	42	46%	0.463	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52	-29.3	-175	69.7	-79.6	0	0	0	115.5	L440 L466	L440-H443 WeakPolarHBondContact O-CB 3.41Å; L440-H443 PolarHBondContact O-N 3.06Å; L440-H443 PolarHBondContact O-ND1 2.89Å; H443-L466 VanDerWaalsContact CA-CD2 3.43Å; H443-L466 HydrophobicContact CB-CD2 3.77Å
444	S	85.5	Confident	87.2	Confident	69 Å²	69	38.5 Å²	38.5	48%	0.483	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-12.8	-177.1	67	0	0	0	0	114	L442 K468	L442-S444 PolarHBondContact O-N 3.17Å; S444-K468 VanDerWaalsContact O-CD 3.25Å; S444-K468 WeakPolarHBondContact O-CD 3.4Å; S444-K468 WeakPolarHBondContact O-CE 3.4Å; S444-K468 PolarHBondContact O-NZ 3.37Å
445	S	89.8	Confident	87.3	Confident	16 Å²	16	41.9 Å²	41.9	11%	0.112	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-133	-26.9	-171	55.1	0	0	0	0	115.6	I422 L442 S447	I422-S445 CarbonylContact O-C 3.58Å; I422-S445 WeakPolarHBondContact O-CB 3.26Å; I422-S445 PolarHBondContact O-OG 3.01Å; L442-S445 PolarHBondContact O-N 3.13Å; S445-S447 PolarHBondContact O-N 2.93Å
446	L	91.6	Very high	87.5	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.208	C	C	.	.			trans	-68.8	122.4	-171.2	-169.3	54.4	0	0	0	112.9	I422 V425 L439 L442 D448 I449 L466 K468 L469	I422-L446 PolarHBondContact O-N 3.3Å; V425-L446 HydrophobicContact CB-CD1 4.08Å; V425-L446 HydrophobicContact CG2-CD1 3.54Å; V425-L446 HydrophobicContact CG2-CD2 4.07Å; L439-L446 HydrophobicContact CD2-CD2 4.23Å; L442-L446 HydrophobicContact CB-CB 4.12Å; L442-L446 HydrophobicContact CB-CD2 4.19Å; L442-L446 HydrophobicContact CD1-CD2 4.49Å; L442-L446 WeakPolarHBondContact O-CB 3.37Å; L442-L446 PolarHBondContact O-N 2.89Å; L446-D448 WeakPolarHBondContact CD1-O 3.17Å; L446-I449 HydrophobicContact CD1-CG1 4.31Å; L446-I449 HydrophobicContact CD2-CD1 3.68Å; L446-I449 HydrophobicContact CD2-CG1 3.73Å; L446-I449 HydrophobicContact CG-CD1 4.21Å; L446-I449 HydrophobicContact CG-CG1 3.95Å; L446-L466 HydrophobicContact CD2-CD1 4.08Å; L446-K468 CarbonylContact O-C 3.6Å; L446-K468 WeakPolarHBondContact O-CB 3.5Å; L446-L469 PolarHBondContact O-N 3.01Å
447	S	88.4	Confident	87.5	Confident	25 Å²	25	43.1 Å²	43.1	18%	0.175	23%	0.226	C	C	.	.			trans	-112.7	-23.7	178.6	57	0	0	0	0	114.1	T423 S445 K468 T470 H471	T423-S447 PolarHBondContact O-N 3.24Å; T423-S447 PolarHBondContact O-OG 3.35Å; S445-S447 PolarHBondContact O-N 2.93Å; S447-K468 WeakPolarHBondContact CA-O 3.31Å; S447-T470 PolarHBondContact O-N 3.15Å; S447-T470 PolarHBondContact O-OG1 3.06Å; S447-H471 PolarHBondContact O-N 3.1Å
448	D	80.1	Confident	87.6	Confident	45 Å²	45	42 Å²	42	24%	0.241	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	127.9	-173.1	-56.5	-82.9	0	0	0	111.1	T423 S424 V425 L446 H471	T423-D448 PolarHBondContact O-N 3.12Å; T423-D448 VanDerWaalsContact O-N 3.1Å; S424-D448 CarbonylContact C-O 3.6Å; S424-D448 WeakPolarHBondContact CA-O 3.37Å; V425-D448 PolarHBondContact N-O 3.24Å; L446-D448 WeakPolarHBondContact CD1-O 3.17Å; D448-H471 WeakPolarHBondContact CA-O 3.24Å; D448-H471 WeakPolarHBondContact OD1-CB 3.38Å; D448-H471 IonicContact OD1-CE1 2.8Å; D448-H471 IonicContact OD1-CG 3.94Å; D448-H471 VanDerWaalsContact OD1-CG 3.31Å; D448-H471 IonicContact OD1-ND1 2.97Å; D448-H471 PolarHBondContact OD1-ND1 3.39Å
449	I	91.5	Very high	87.6	Confident	4 Å²	4	40.2 Å²	40.2	2%	0.021	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	127.9	179.5	-68.6	174.6	0	0	0	110	L446 L451 I463 L466 L469 H471 I472 D473	L446-I449 HydrophobicContact CD1-CG1 4.31Å; L446-I449 HydrophobicContact CD2-CD1 3.68Å; L446-I449 HydrophobicContact CD2-CG1 3.73Å; L446-I449 HydrophobicContact CG-CD1 4.21Å; L446-I449 HydrophobicContact CG-CG1 3.95Å; I449-L451 HydrophobicContact CG2-CD1 4.01Å; I449-L451 HydrophobicContact CG2-CD2 4.48Å; I449-L451 HydrophobicContact CG2-CG 3.73Å; I449-I463 HydrophobicContact CD1-CD1 4.03Å; I449-I463 HydrophobicContact CD1-CG1 4.33Å; I449-L466 HydrophobicContact CD1-CD1 3.48Å; I449-L466 VanDerWaalsContact CD1-CD1 3.48Å; I449-L469 HydrophobicContact CB-CD1 4.19Å; I449-L469 HydrophobicContact CD1-CD1 3.58Å; I449-L469 HydrophobicContact CD1-CD2 3.97Å; I449-L469 HydrophobicContact CD1-CG 4.48Å; I449-L469 HydrophobicContact CG1-CD1 3.63Å; I449-H471 PolarHBondContact N-O 3.48Å; I449-I472 CarbonylContact O-C 3.13Å; I449-I472 WeakPolarHBondContact O-CA 3.25Å; I449-D473 PolarHBondContact O-N 2.86Å
450	N	85.2	Confident	87.5	Confident	38 Å²	38	41.7 Å²	41.7	20%	0.203	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	110.2	169	-175.1	-2.3	0	0	0	111.1	V425 N426 F427 G452 D473	V425-N450 PolarHBondContact O-N 2.9Å; N426-N450 HydrophobicContact CB-CB 4.37Å; N426-N450 PolarHBondContact OD1-ND2 2.85Å; F427-N450 PolarHBondContact N-O 3.07Å; N450-G452 PolarHBondContact OD1-N 2.61Å; N450-D473 HydrophobicContact CB-CB 4.26Å
451	L	87.9	Confident	87.6	Confident	0 Å²	0	41 Å²	41	0%	0	23%	0.228	C	C	.	.			trans	-118.6	25	173.4	-57.8	174.5	0	0	0	111.2	F427 L432 F435 I449 N454 L456 D473 L474 N477	F427-L451 HydrophobicContact CB-CD2 3.75Å; F427-L451 HydrophobicContact CD2-CD2 3.86Å; F427-L451 HydrophobicContact CG-CD2 4.23Å; L432-L451 HydrophobicContact CD1-CD2 4.43Å; F435-L451 HydrophobicContact CD1-CD1 3.46Å; F435-L451 VanDerWaalsContact CD1-CD1 3.46Å; F435-L451 HydrophobicContact CE1-CD1 3.25Å; F435-L451 HydrophobicContact CG-CD1 4.33Å; F435-L451 HydrophobicContact CZ-CD1 3.96Å; I449-L451 HydrophobicContact CG2-CD1 4.01Å; I449-L451 HydrophobicContact CG2-CD2 4.48Å; I449-L451 HydrophobicContact CG2-CG 3.73Å; L451-N454 PolarHBondContact O-ND2 2.86Å; L451-L456 HydrophobicContact CB-CD1 4.01Å; L451-L456 HydrophobicContact CD1-CD1 4.2Å; L451-D473 CarbonylContact C-O 3.56Å; L451-D473 PolarHBondContact N-O 2.96Å; L451-L474 HydrophobicContact CB-CD2 3.95Å; L451-L474 HydrophobicContact CD1-CD2 4.11Å; L451-L474 HydrophobicContact CG-CD2 4.44Å; L451-N477 PolarHBondContact O-ND2 3.04Å
452	G	79.1	Confident	87.6	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	23%	0.228	C	C	.	.			trans	-64.5	155.5	-179.6	0	0	0	0	0	113.2	S428 R429 N450 N454 D473 R475	S428-G452 CarbonylContact C-O 3.53Å; S428-G452 WeakPolarHBondContact CA-O 3.09Å; S428-G452 WeakPolarHBondContact CB-O 3.08Å; R429-G452 PolarHBondContact N-O 3.23Å; N450-G452 PolarHBondContact OD1-N 2.61Å; G452-N454 PolarHBondContact O-ND2 3.32Å; G452-D473 PolarHBondContact N-O 3.36Å; G452-R475 CarbonylContact C-O 3.5Å; G452-R475 WeakPolarHBondContact CA-O 3.48Å
453	F	80.3	Confident	87.6	Confident	78 Å²	78	40.1 Å²	40.1	34%	0.342	23%	0.226	S	C	.	.	S	Bend	trans	57	57.6	179.7	-55.7	-92.4	0	0	0	112.3	R429 N430 R475 N476	R429-F453 CarbonylContact C-O 3.47Å; R429-F453 VanDerWaalsContact CA-O 3.23Å; R429-F453 WeakPolarHBondContact CA-O 3.29Å; R429-F453 HydrophobicContact CB-CB 4.45Å; R429-F453 HydrophobicContact CG-CB 3.95Å; R429-F453 HydrophobicContact CG-CD2 4.29Å; R429-F453 HydrophobicContact CG-CG 4.26Å; R429-F453 PolarHBondContact N-O 3.07Å; N430-F453 PolarHBondContact N-O 2.91Å; N430-F453 VanDerWaalsContact N-O 3.14Å; F453-R475 HydrophobicContact CD2-CG 4.21Å; F453-R475 HydrophobicContact CE2-CG 3.95Å; F453-R475 PolarHBondContact N-O 2.99Å; F453-N476 CarbonylContact C-O 3.4Å; F453-N476 VanDerWaalsContact CA-O 3.28Å; F453-N476 WeakPolarHBondContact CA-O 3.47Å; F453-N476 HydrophobicContact CB-CB 4.36Å; F453-N476 HydrophobicContact CD1-CB 3.56Å; F453-N476 HydrophobicContact CE1-CB 3.98Å; F453-N476 WeakPolarHBondContact CE1-ND2 3.21Å; F453-N476 HydrophobicContact CG-CB 3.92Å; F453-N476 PolarHBondContact N-O 3.02Å
454	N	86.8	Confident	87.7	Confident	12 Å²	12	35.8 Å²	35.8	6%	0.064	21%	0.207	C	C	.	.	S	Bend	trans	-129.8	-166.8	176.2	-85.7	-68.8	0	0	0	110.1	F427 N430 Q431 L432 L451 G452 L456 N476 N477	F427-N454 PolarHBondContact O-ND2 2.87Å; N430-N454 VanDerWaalsContact CA-OD1 3.31Å; N430-N454 WeakPolarHBondContact CA-OD1 3.39Å; N430-N454 WeakPolarHBondContact CB-OD1 3.46Å; N430-N454 PolarHBondContact N-OD1 2.83Å; N430-N454 PolarHBondContact O-OD1 3.37Å; Q431-N454 PolarHBondContact N-OD1 3.25Å; L432-N454 HydrophobicContact CB-CB 4.21Å; L432-N454 VanDerWaalsContact CB-OD1 3.29Å; L432-N454 WeakPolarHBondContact CB-OD1 3.31Å; L432-N454 VanDerWaalsContact CG-OD1 3.26Å; L432-N454 WeakPolarHBondContact CG-OD1 3.4Å; L432-N454 PolarHBondContact N-OD1 3.31Å; L451-N454 PolarHBondContact O-ND2 2.86Å; G452-N454 PolarHBondContact O-ND2 3.32Å; N454-L456 HydrophobicContact CB-CG 4.16Å; N454-N476 PolarHBondContact N-O 3.16Å; N454-N476 VanDerWaalsContact O-O 3.11Å; N454-N477 WeakPolarHBondContact CA-OD1 3.38Å; N454-N477 WeakPolarHBondContact CB-OD1 3.41Å; N454-N477 PolarHBondContact O-OD1 3.31Å
455	R	92.2	Very high	87.9	Confident	127 Å²	127	35.2 Å²	35.2	48%	0.479	20%	0.203	S	C	.	.			trans	-119.3	31.1	178.2	-62.4	-176.6	179.8	156.6	5.1	112	L432 T433 S457 N477	L432-R455 CarbonylContact O-C 3.43Å; L432-R455 VanDerWaalsContact O-CA 3.29Å; L432-R455 WeakPolarHBondContact O-CA 3.42Å; L432-R455 PolarHBondContact O-N 3.12Å; T433-R455 HydrophobicContact CG2-CB 4.32Å; R455-S457 PolarHBondContact O-N 2.87Å; R455-N477 PolarHBondContact N-OD1 3.29Å
456	L	93.3	Very high	87.9	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	20%	0.198	C	C	.	.			trans	-65.2	120	-177	-59	172.8	0	0	0	110.2	L432 A434 F435 L451 N454 N477 Q478 L479	L432-L456 HydrophobicContact CB-CD2 4.18Å; L432-L456 PolarHBondContact O-N 2.98Å; A434-L456 WeakPolarHBondContact O-CD2 3.31Å; F435-L456 HydrophobicContact CD2-CD1 4.29Å; F435-L456 HydrophobicContact CD2-CD2 4.26Å; F435-L456 HydrophobicContact CE2-CD1 3.74Å; F435-L456 HydrophobicContact CE2-CD2 4.43Å; F435-L456 HydrophobicContact CE2-CG 4.48Å; F435-L456 HydrophobicContact CZ-CD1 4Å; L451-L456 HydrophobicContact CB-CD1 4.01Å; L451-L456 HydrophobicContact CD1-CD1 4.2Å; N454-L456 HydrophobicContact CB-CG 4.16Å; L456-N477 HydrophobicContact CB-CB 4.19Å; L456-N477 VanDerWaalsContact CB-OD1 3.25Å; L456-N477 WeakPolarHBondContact CB-OD1 3.16Å; L456-N477 VanDerWaalsContact CG-OD1 3.25Å; L456-N477 WeakPolarHBondContact CG-OD1 3.24Å; L456-N477 PolarHBondContact N-OD1 3.41Å; L456-Q478 CarbonylContact O-C 3.08Å; L456-Q478 VanDerWaalsContact O-CA 3.27Å; L456-Q478 WeakPolarHBondContact O-CA 3.34Å; L456-Q478 WeakPolarHBondContact O-CB 3.26Å; L456-Q478 PolarHBondContact O-N 2.96Å; L456-L479 HydrophobicContact CB-CD2 4.11Å; L456-L479 PolarHBondContact O-N 2.77Å
457	S	90.6	Very high	87.7	Confident	66 Å²	66	41 Å²	41	46%	0.462	23%	0.228	S	C	.	.			trans	-90.9	-23.8	177.6	56.1	0	0	0	0	113.4	R455	R455-S457 PolarHBondContact O-N 2.87Å
458	C	90.1	Very high	87.9	Confident	74 Å²	74	44.6 Å²	44.6	50%	0.5	24%	0.241	S	C	.	.	S	Bend	trans	-143.3	156.6	177.3	63.6	0	0	0	0	111.5	F435	F435-C458 WeakPolarHBondContact CD2-O 3.27Å; F435-C458 VanDerWaalsContact CE2-O 3.31Å; F435-C458 WeakPolarHBondContact CE2-O 3.46Å
459	C	89.1	Confident	88.5	Confident	13 Å²	13	42.4 Å²	42.4	9%	0.088	23%	0.229	C	C	.	.			trans	-99.4	120.5	171.8	-173.7	0	0	0	0	109.7	F435 L479 L482	F435-C459 VanDerWaalsContact CE2-CA 3.45Å; F435-C459 HydrophobicContact CE2-CB 3.95Å; F435-C459 HydrophobicContact CZ-CB 4.14Å; F435-C459 VanDerWaalsContact CZ-SG 3.58Å; C459-L479 HydrophobicContact CB-CD2 4.4Å; C459-L482 HydrophobicContact CB-CD2 4.01Å
460	S	87.8	Confident	88.3	Confident	38 Å²	38	43.7 Å²	43.7	27%	0.266	24%	0.237	S	C	.	.			trans	-68.2	137.8	-179.1	-176.9	0	0	0	0	110.8	D462 I463	S460-D462 PolarHBondContact O-N 3.38Å; S460-D462 VanDerWaalsContact OG-CG 3.28Å; S460-D462 PolarHBondContact OG-N 2.9Å; S460-D462 PolarHBondContact OG-OD2 3.43Å; S460-I463 WeakPolarHBondContact O-CG2 3.09Å; S460-I463 PolarHBondContact O-N 3.33Å
461	A	88.6	Confident	88.2	Confident	42 Å²	42	45.8 Å²	45.8	35%	0.347	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-60.4	-23.1	173.1	0	0	0	0	0	112.3	I463 C464 P483	A461-I463 PolarHBondContact O-N 3.27Å; A461-C464 WeakPolarHBondContact O-CB 3.37Å; A461-C464 PolarHBondContact O-N 3.3Å; A461-C464 PolarHBondContact O-SG 3.17Å; A461-P483 HydrophobicContact CB-CB 4.15Å
462	D	87.3	Confident	88.4	Confident	88 Å²	88	45.9 Å²	45.9	47%	0.471	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-60.8	-28.7	-179.1	-52.3	-43.8	0	0	0	112.6	L440 S460 C464 S465	L440-D462 HydrophobicContact CD1-CB 3.82Å; L440-D462 HydrophobicContact CD2-CB 3.65Å; L440-D462 WeakPolarHBondContact CD2-O 3.28Å; L440-D462 HydrophobicContact CG-CB 4.24Å; S460-D462 PolarHBondContact O-N 3.38Å; S460-D462 VanDerWaalsContact OG-CG 3.28Å; S460-D462 PolarHBondContact OG-N 2.9Å; S460-D462 PolarHBondContact OG-OD2 3.43Å; D462-C464 PolarHBondContact O-N 3.31Å; D462-C464 VanDerWaalsContact O-N 3.1Å; D462-S465 WeakPolarHBondContact O-CB 3.48Å; D462-S465 PolarHBondContact O-N 3.08Å; D462-S465 PolarHBondContact O-OG 2.9Å
463	I	88.3	Confident	88.6	Confident	8 Å²	8	46.6 Å²	46.6	4%	0.041	25%	0.25	C	S	.	.	G	3₁₀ helix	trans	-60.6	-23.2	176.6	-158.5	168	0	0	0	112.3	F435 I449 S460 A461 S465 L466 L469 M486	F435-I463 HydrophobicContact CD1-CD1 4Å; F435-I463 HydrophobicContact CE1-CD1 3.56Å; I449-I463 HydrophobicContact CD1-CD1 4.03Å; I449-I463 HydrophobicContact CD1-CG1 4.33Å; S460-I463 WeakPolarHBondContact O-CG2 3.09Å; S460-I463 PolarHBondContact O-N 3.33Å; A461-I463 PolarHBondContact O-N 3.27Å; I463-S465 PolarHBondContact O-N 2.86Å; I463-L466 HydrophobicContact CG1-CD1 3.68Å; I463-L466 HydrophobicContact CG1-CG 4.41Å; I463-L466 WeakPolarHBondContact O-CB 3.41Å; I463-L466 VanDerWaalsContact O-CG 3.3Å; I463-L466 WeakPolarHBondContact O-CG 2.98Å; I463-L466 PolarHBondContact O-N 3.48Å; I463-L466 VanDerWaalsContact O-N 3.13Å; I463-L469 HydrophobicContact CD1-CD2 4.38Å; I463-L469 HydrophobicContact CG1-CD2 4.15Å; I463-M486 HydrophobicContact CG2-CE 4.05Å
464	C	88.8	Confident	89.1	Confident	9 Å²	9	42.9 Å²	42.9	6%	0.061	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-71.6	-10.8	179.9	-51.4	0	0	0	0	112.4	A461 D462 L466 E485 M486	A461-C464 WeakPolarHBondContact O-CB 3.37Å; A461-C464 PolarHBondContact O-N 3.3Å; A461-C464 PolarHBondContact O-SG 3.17Å; D462-C464 PolarHBondContact O-N 3.31Å; D462-C464 VanDerWaalsContact O-N 3.1Å; C464-L466 VanDerWaalsContact C-N 3.28Å; C464-E485 HydrophobicContact CB-CB 3.95Å; C464-E485 VanDerWaalsContact SG-C 3.51Å; C464-M486 VanDerWaalsContact SG-CA 3.55Å; C464-M486 PolarHBondContact SG-N 2.77Å; C464-M486 VanDerWaalsContact SG-N 3.41Å
465	S	88.6	Confident	88.8	Confident	56 Å²	56	46.6 Å²	46.6	39%	0.392	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-75.6	-14	171.4	68.7	0	0	0	0	113.5	L440 D462 I463 Q467	L440-S465 VanDerWaalsContact CD2-OG 3.27Å; L440-S465 WeakPolarHBondContact CD2-OG 3.41Å; D462-S465 WeakPolarHBondContact O-CB 3.48Å; D462-S465 PolarHBondContact O-N 3.08Å; D462-S465 PolarHBondContact O-OG 2.9Å; I463-S465 PolarHBondContact O-N 2.86Å; S465-Q467 VanDerWaalsContact C-N 3.33Å; S465-Q467 PolarHBondContact O-N 3.01Å
466	L	90.6	Very high	88.4	Confident	1 Å²	1	42.8 Å²	42.8	1%	0.005	24%	0.236	C	C	.	.			trans	-80.6	73.6	-177.5	-53.4	-179.2	0	0	0	111.4	H443 L446 I449 I463 C464 K468 L469 L489	H443-L466 VanDerWaalsContact CA-CD2 3.43Å; H443-L466 HydrophobicContact CB-CD2 3.77Å; L446-L466 HydrophobicContact CD2-CD1 4.08Å; I449-L466 HydrophobicContact CD1-CD1 3.48Å; I449-L466 VanDerWaalsContact CD1-CD1 3.48Å; I463-L466 HydrophobicContact CG1-CD1 3.68Å; I463-L466 HydrophobicContact CG1-CG 4.41Å; I463-L466 WeakPolarHBondContact O-CB 3.41Å; I463-L466 VanDerWaalsContact O-CG 3.3Å; I463-L466 WeakPolarHBondContact O-CG 2.98Å; I463-L466 PolarHBondContact O-N 3.48Å; I463-L466 VanDerWaalsContact O-N 3.13Å; C464-L466 VanDerWaalsContact C-N 3.28Å; L466-K468 PolarHBondContact O-N 2.96Å; L466-L469 HydrophobicContact CB-CB 4.23Å; L466-L469 HydrophobicContact CB-CD2 4.25Å; L466-L469 HydrophobicContact CD1-CD2 4.2Å; L466-L469 WeakPolarHBondContact O-CB 3.36Å; L466-L469 PolarHBondContact O-N 3.08Å; L466-L489 VanDerWaalsContact O-CD2 3.32Å; L466-L489 WeakPolarHBondContact O-CD2 3.1Å
467	Q	87.8	Confident	88.2	Confident	137 Å²	137	43.3 Å²	43.3	64%	0.64	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-12.9	-170.9	-63.6	-176	-7.2	0	0	115.6	S465	S465-Q467 VanDerWaalsContact C-N 3.33Å; S465-Q467 PolarHBondContact O-N 3.01Å
468	K	91.3	Very high	88.4	Confident	100 Å²	100	43.3 Å²	43.3	44%	0.435	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.8	-3.1	177.2	-72.3	-168.4	-178.2	171.2	0	114.4	S444 L446 S447 L466 T470	S444-K468 VanDerWaalsContact O-CD 3.25Å; S444-K468 WeakPolarHBondContact O-CD 3.4Å; S444-K468 WeakPolarHBondContact O-CE 3.4Å; S444-K468 PolarHBondContact O-NZ 3.37Å; L446-K468 CarbonylContact O-C 3.6Å; L446-K468 WeakPolarHBondContact O-CB 3.5Å; S447-K468 WeakPolarHBondContact CA-O 3.31Å; L466-K468 PolarHBondContact O-N 2.96Å; K468-T470 PolarHBondContact O-N 2.88Å
469	L	93	Very high	88.6	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.208	C	C	.	.			trans	-65.9	126.1	-173.9	-161.1	59.1	0	0	0	111.4	L446 I449 I463 L466 I472 L489 K491 L492	L446-L469 PolarHBondContact O-N 3.01Å; I449-L469 HydrophobicContact CB-CD1 4.19Å; I449-L469 HydrophobicContact CD1-CD1 3.58Å; I449-L469 HydrophobicContact CD1-CD2 3.97Å; I449-L469 HydrophobicContact CD1-CG 4.48Å; I449-L469 HydrophobicContact CG1-CD1 3.63Å; I463-L469 HydrophobicContact CD1-CD2 4.38Å; I463-L469 HydrophobicContact CG1-CD2 4.15Å; L466-L469 HydrophobicContact CB-CB 4.23Å; L466-L469 HydrophobicContact CB-CD2 4.25Å; L466-L469 HydrophobicContact CD1-CD2 4.2Å; L466-L469 WeakPolarHBondContact O-CB 3.36Å; L466-L469 PolarHBondContact O-N 3.08Å; L469-I472 HydrophobicContact CD1-CG1 4.17Å; L469-I472 HydrophobicContact CD2-CD1 3.33Å; L469-I472 HydrophobicContact CD2-CG1 3.49Å; L469-I472 VanDerWaalsContact CD2-CG1 3.49Å; L469-I472 HydrophobicContact CG-CD1 3.95Å; L469-I472 HydrophobicContact CG-CG1 3.65Å; L469-L489 HydrophobicContact CB-CD2 4.4Å; L469-L489 HydrophobicContact CD2-CD1 4.11Å; L469-K491 CarbonylContact O-C 3.14Å; L469-L492 WeakPolarHBondContact O-CA 3.36Å; L469-L492 PolarHBondContact O-N 3.29Å
470	T	87	Confident	88.9	Confident	30 Å²	30	43 Å²	43	18%	0.184	23%	0.227	C	C	.	.			trans	-117	-34.4	-178.2	57.7	0	0	0	0	112.4	S447 K468 K491 R493 C494	S447-T470 PolarHBondContact O-N 3.15Å; S447-T470 PolarHBondContact O-OG1 3.06Å; K468-T470 PolarHBondContact O-N 2.88Å; T470-K491 HydrophobicContact CG2-CB 4.27Å; T470-R493 PolarHBondContact O-N 2.81Å; T470-C494 PolarHBondContact O-N 2.8Å
471	H	83.3	Confident	89.2	Confident	82 Å²	82	45.5 Å²	45.5	38%	0.38	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	133.9	178.5	-53.4	81.9	0	0	0	111	S447 D448 I449 C494	S447-H471 PolarHBondContact O-N 3.1Å; D448-H471 WeakPolarHBondContact CA-O 3.24Å; D448-H471 WeakPolarHBondContact OD1-CB 3.38Å; D448-H471 IonicContact OD1-CE1 2.8Å; D448-H471 IonicContact OD1-CG 3.94Å; D448-H471 VanDerWaalsContact OD1-CG 3.31Å; D448-H471 IonicContact OD1-ND1 2.97Å; D448-H471 PolarHBondContact OD1-ND1 3.39Å; I449-H471 PolarHBondContact N-O 3.48Å; H471-C494 WeakPolarHBondContact CA-O 3.36Å; H471-C494 HydrophobicContact CB-CB 4.3Å; H471-C494 WeakPolarHBondContact CD2-CB 3.32Å
472	I	91.7	Very high	89.5	Confident	2 Å²	2	44 Å²	44	1%	0.01	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	127.5	175	-52	174	0	0	0	109.4	I449 L469 L474 M486 L489 L492 C494 I495 V496	I449-I472 CarbonylContact O-C 3.13Å; I449-I472 WeakPolarHBondContact O-CA 3.25Å; L469-I472 HydrophobicContact CD1-CG1 4.17Å; L469-I472 HydrophobicContact CD2-CD1 3.33Å; L469-I472 HydrophobicContact CD2-CG1 3.49Å; L469-I472 VanDerWaalsContact CD2-CG1 3.49Å; L469-I472 HydrophobicContact CG-CD1 3.95Å; L469-I472 HydrophobicContact CG-CG1 3.65Å; I472-L474 HydrophobicContact CG2-CD1 4.1Å; I472-L474 HydrophobicContact CG2-CD2 3.94Å; I472-L474 HydrophobicContact CG2-CG 3.76Å; I472-M486 HydrophobicContact CD1-CE 4.38Å; I472-L489 HydrophobicContact CD1-CD1 4.05Å; I472-L492 HydrophobicContact CB-CD1 4.48Å; I472-L492 HydrophobicContact CD1-CD1 3.64Å; I472-L492 HydrophobicContact CD1-CD2 4.1Å; I472-L492 HydrophobicContact CG1-CD1 3.61Å; I472-C494 PolarHBondContact N-O 2.83Å; I472-I495 HydrophobicContact CB-CG1 4.31Å; I472-I495 CarbonylContact O-C 3.54Å; I472-I495 WeakPolarHBondContact O-CA 3.12Å; I472-V496 PolarHBondContact O-N 2.79Å
473	D	84.5	Confident	89.8	Confident	16 Å²	16	40.7 Å²	40.7	9%	0.086	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	112.9	173.9	-171.9	-7.2	0	0	0	111.4	I449 N450 L451 G452 R475 V496	I449-D473 PolarHBondContact O-N 2.86Å; N450-D473 HydrophobicContact CB-CB 4.26Å; L451-D473 CarbonylContact C-O 3.56Å; L451-D473 PolarHBondContact N-O 2.96Å; G452-D473 PolarHBondContact N-O 3.36Å; D473-R475 VanDerWaalsContact CG-NE 3.28Å; D473-R475 WeakPolarHBondContact OD1-CB 3.27Å; D473-R475 VanDerWaalsContact OD1-CG 3.26Å; D473-R475 WeakPolarHBondContact OD1-CG 3.26Å; D473-R475 IonicContact OD1-CZ 3.98Å; D473-R475 PolarHBondContact OD1-N 3.08Å; D473-R475 IonicContact OD1-NE 2.69Å; D473-R475 PolarHBondContact OD1-NE 2.96Å; D473-R475 IonicContact OD1-NH2 3.89Å; D473-R475 IonicContact OD2-CZ 3.21Å; D473-R475 IonicContact OD2-NE 3.7Å; D473-R475 PolarHBondContact OD2-NE 2.97Å; D473-R475 IonicContact OD2-NH2 3.1Å; D473-R475 PolarHBondContact OD2-NH2 3.13Å; D473-V496 HydrophobicContact CB-CB 4.24Å
474	L	90	Very high	90	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.229	C	C	.	.			trans	-121.8	24.2	178.3	-50.8	174.7	0	0	0	111.3	F435 L451 I472 N477 L479 V496 L497 N500	F435-L474 HydrophobicContact CE1-CD2 3.99Å; F435-L474 HydrophobicContact CZ-CD1 4.13Å; F435-L474 HydrophobicContact CZ-CD2 3.62Å; L451-L474 HydrophobicContact CB-CD2 3.95Å; L451-L474 HydrophobicContact CD1-CD2 4.11Å; L451-L474 HydrophobicContact CG-CD2 4.44Å; I472-L474 HydrophobicContact CG2-CD1 4.1Å; I472-L474 HydrophobicContact CG2-CD2 3.94Å; I472-L474 HydrophobicContact CG2-CG 3.76Å; L474-N477 PolarHBondContact O-ND2 2.62Å; L474-L479 HydrophobicContact CB-CD1 3.85Å; L474-L479 HydrophobicContact CD1-CD1 3.72Å; L474-L479 HydrophobicContact CG-CD1 4.34Å; L474-V496 CarbonylContact C-O 3.59Å; L474-V496 WeakPolarHBondContact CA-O 3.5Å; L474-V496 PolarHBondContact N-O 3.09Å; L474-L497 HydrophobicContact CB-CD2 4.06Å; L474-L497 HydrophobicContact CD1-CD2 3.97Å; L474-L497 HydrophobicContact CG-CD2 4.41Å; L474-N500 PolarHBondContact O-ND2 2.95Å
475	R	81.9	Confident	90.2	Very high	89 Å²	89	47.2 Å²	47.2	34%	0.336	24%	0.244	S	C	.	.			trans	-60.3	154.3	-178.5	75.8	-177.1	80.2	-172.7	6.7	112.5	G452 F453 D473 N477 V496 N498	G452-R475 CarbonylContact C-O 3.5Å; G452-R475 WeakPolarHBondContact CA-O 3.48Å; F453-R475 HydrophobicContact CD2-CG 4.21Å; F453-R475 HydrophobicContact CE2-CG 3.95Å; F453-R475 PolarHBondContact N-O 2.99Å; D473-R475 VanDerWaalsContact CG-NE 3.28Å; D473-R475 WeakPolarHBondContact OD1-CB 3.27Å; D473-R475 VanDerWaalsContact OD1-CG 3.26Å; D473-R475 WeakPolarHBondContact OD1-CG 3.26Å; D473-R475 IonicContact OD1-CZ 3.98Å; D473-R475 PolarHBondContact OD1-N 3.08Å; D473-R475 IonicContact OD1-NE 2.69Å; D473-R475 PolarHBondContact OD1-NE 2.96Å; D473-R475 IonicContact OD1-NH2 3.89Å; D473-R475 IonicContact OD2-CZ 3.21Å; D473-R475 IonicContact OD2-NE 3.7Å; D473-R475 PolarHBondContact OD2-NE 2.97Å; D473-R475 IonicContact OD2-NH2 3.1Å; D473-R475 PolarHBondContact OD2-NH2 3.13Å; R475-N477 PolarHBondContact O-ND2 2.92Å; R475-V496 HydrophobicContact CB-CG1 4.06Å; R475-V496 PolarHBondContact N-O 2.95Å; R475-N498 CarbonylContact C-O 3.37Å; R475-N498 WeakPolarHBondContact CA-O 3.32Å; R475-N498 HydrophobicContact CB-CB 4.32Å; R475-N498 WeakPolarHBondContact CB-O 3.3Å
476	N	82.7	Confident	90.4	Very high	48 Å²	48	44.6 Å²	44.6	26%	0.257	23%	0.226	S	C	.	.	S	Bend	trans	51.6	63	178.9	-95.4	-59.3	0	0	0	112.2	F453 N454 N498 H499	F453-N476 CarbonylContact C-O 3.4Å; F453-N476 VanDerWaalsContact CA-O 3.28Å; F453-N476 WeakPolarHBondContact CA-O 3.47Å; F453-N476 HydrophobicContact CB-CB 4.36Å; F453-N476 HydrophobicContact CD1-CB 3.56Å; F453-N476 HydrophobicContact CE1-CB 3.98Å; F453-N476 WeakPolarHBondContact CE1-ND2 3.21Å; F453-N476 HydrophobicContact CG-CB 3.92Å; F453-N476 PolarHBondContact N-O 3.02Å; N454-N476 PolarHBondContact N-O 3.16Å; N454-N476 VanDerWaalsContact O-O 3.11Å; N476-N498 PolarHBondContact N-O 3.01Å; N476-H499 WeakPolarHBondContact CA-O 3.45Å; N476-H499 HydrophobicContact CB-CB 4.35Å; N476-H499 PolarHBondContact N-O 3.04Å; N476-H499 WeakPolarHBondContact OD1-CB 3.44Å
477	N	89.8	Confident	90.2	Very high	11 Å²	11	49.8 Å²	49.8	6%	0.059	25%	0.248	C	C	.	.	S	Bend	trans	-133.9	-167.8	174	-85.2	-72.2	0	0	0	109.6	L451 N454 R455 L456 L474 R475 L479 H499 N500	L451-N477 PolarHBondContact O-ND2 3.04Å; N454-N477 WeakPolarHBondContact CA-OD1 3.38Å; N454-N477 WeakPolarHBondContact CB-OD1 3.41Å; N454-N477 PolarHBondContact O-OD1 3.31Å; R455-N477 PolarHBondContact N-OD1 3.29Å; L456-N477 HydrophobicContact CB-CB 4.19Å; L456-N477 VanDerWaalsContact CB-OD1 3.25Å; L456-N477 WeakPolarHBondContact CB-OD1 3.16Å; L456-N477 VanDerWaalsContact CG-OD1 3.25Å; L456-N477 WeakPolarHBondContact CG-OD1 3.24Å; L456-N477 PolarHBondContact N-OD1 3.41Å; L474-N477 PolarHBondContact O-ND2 2.62Å; R475-N477 PolarHBondContact O-ND2 2.92Å; N477-L479 HydrophobicContact CB-CG 4.2Å; N477-H499 PolarHBondContact N-O 3.1Å; N477-H499 VanDerWaalsContact N-O 3.15Å; N477-N500 WeakPolarHBondContact CA-OD1 3.39Å; N477-N500 WeakPolarHBondContact CB-OD1 3.45Å; N477-N500 PolarHBondContact O-OD1 3.2Å
478	Q	94.1	Very high	90.3	Very high	65 Å²	65	47.6 Å²	47.6	30%	0.304	24%	0.241	S	C	.	.			trans	-117.2	26.6	-179	-54.9	-176.7	28.1	0	0	111.8	L456 N500	L456-Q478 CarbonylContact O-C 3.08Å; L456-Q478 VanDerWaalsContact O-CA 3.27Å; L456-Q478 WeakPolarHBondContact O-CA 3.34Å; L456-Q478 WeakPolarHBondContact O-CB 3.26Å; L456-Q478 PolarHBondContact O-N 2.96Å; Q478-N500 PolarHBondContact N-OD1 3.12Å
479	L	95.3	Very high	90.3	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.221	C	C	.	.			trans	-70	140.6	-175.9	-59.5	174.6	0	0	0	111.1	L456 C459 L474 N477 N500 R501 F502	L456-L479 HydrophobicContact CB-CD2 4.11Å; L456-L479 PolarHBondContact O-N 2.77Å; C459-L479 HydrophobicContact CB-CD2 4.4Å; L474-L479 HydrophobicContact CB-CD1 3.85Å; L474-L479 HydrophobicContact CD1-CD1 3.72Å; L474-L479 HydrophobicContact CG-CD1 4.34Å; N477-L479 HydrophobicContact CB-CG 4.2Å; L479-N500 HydrophobicContact CB-CB 4.42Å; L479-N500 WeakPolarHBondContact CB-OD1 3.3Å; L479-N500 WeakPolarHBondContact CG-OD1 3.4Å; L479-N500 PolarHBondContact N-OD1 3.1Å; L479-R501 CarbonylContact O-C 3.46Å; L479-R501 WeakPolarHBondContact O-CA 3.2Å; L479-R501 PolarHBondContact O-N 2.8Å; L479-F502 HydrophobicContact CB-CE2 3.87Å; L479-F502 HydrophobicContact CB-CZ 3.73Å
480	T	94.5	Very high	90.1	Very high	81 Å²	81	46.7 Å²	46.7	50%	0.497	25%	0.247	S	C	.	.			trans	-116.3	-27.3	178.5	49.6	0	0	0	0	112.8	R501 F502	T480-R501 HydrophobicContact CG2-CB 3.9Å; T480-F502 WeakPolarHBondContact O-CD1 3.07Å
481	D	94	Very high	90.4	Very high	91 Å²	91	50.3 Å²	50.3	49%	0.487	26%	0.26	S	S	.	.			trans	-151.5	170	176	-154.3	-3.8	0	0	0	111.4	F502	D481-F502 VanDerWaalsContact CA-CE1 3.48Å
482	L	95.3	Very high	90.9	Very high	11 Å²	11	46.4 Å²	46.4	6%	0.058	24%	0.242	C	C	.	.			trans	-117.7	149.5	175.6	-65.1	177.4	0	0	0	111.2	C459 M486 I495 L497 F502 P506 A508 L509	C459-L482 HydrophobicContact CB-CD2 4.01Å; L482-M486 HydrophobicContact CB-SD 4.43Å; L482-M486 HydrophobicContact CD1-SD 4.01Å; L482-I495 HydrophobicContact CD1-CD1 4.03Å; L482-L497 HydrophobicContact CD1-CD1 3.96Å; L482-L497 HydrophobicContact CD2-CD2 4.42Å; L482-F502 HydrophobicContact CD2-CZ 4.11Å; L482-F502 HydrophobicContact CG-CE1 4.05Å; L482-F502 HydrophobicContact CG-CZ 4.06Å; L482-P506 HydrophobicContact CB-CB 4.31Å; L482-P506 HydrophobicContact CD1-CB 3.97Å; L482-P506 HydrophobicContact CD1-CG 4.12Å; L482-P506 HydrophobicContact CG-CB 4.18Å; L482-P506 HydrophobicContact CG-CG 4.39Å; L482-A508 HydrophobicContact CB-CB 4.29Å; L482-L509 HydrophobicContact CD1-CD1 4.26Å; L482-L509 HydrophobicContact CD1-CD2 3.83Å; L482-L509 HydrophobicContact CD1-CG 3.97Å
483	P	94.3	Very high	90.8	Very high	17 Å²	17	52 Å²	52	11%	0.11	26%	0.263	C	S	.	.			trans	-65.5	141.1	179.5	26.6	-34.5	0	0	0	112.2	A461 E485 M486 A508	A461-P483 HydrophobicContact CB-CB 4.15Å; P483-E485 PolarHBondContact O-N 3.2Å; P483-M486 HydrophobicContact CG-CE 4.49Å; P483-M486 VanDerWaalsContact O-CB 3.24Å; P483-M486 WeakPolarHBondContact O-CB 3.37Å; P483-M486 PolarHBondContact O-N 3.07Å; P483-M486 VanDerWaalsContact O-N 3.11Å; P483-A508 WeakPolarHBondContact O-CB 3.42Å
484	S	91.1	Very high	90.9	Very high	72 Å²	72	52.3 Å²	52.3	50%	0.503	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-64.6	-24.4	-178.9	73.3	0	0	0	0	113.4	M486	S484-M486 PolarHBondContact O-N 2.99Å
485	E	93	Very high	91.1	Very high	83 Å²	83	52.3 Å²	52.3	39%	0.388	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-68.4	-12.5	177.4	-64.4	76.4	-172.1	0	0	112.4	C464 P483 K487 N488	C464-E485 HydrophobicContact CB-CB 3.95Å; C464-E485 VanDerWaalsContact SG-C 3.51Å; P483-E485 PolarHBondContact O-N 3.2Å; E485-K487 PolarHBondContact O-N 3.23Å; E485-N488 VanDerWaalsContact O-CB 3.25Å; E485-N488 WeakPolarHBondContact O-CB 3.34Å; E485-N488 PolarHBondContact O-N 3.1Å; E485-N488 PolarHBondContact O-ND2 3.22Å
486	M	92.6	Very high	91.1	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-61.9	-19.2	-178.9	-162.1	166.6	-98.9	0	0	112.9	I463 C464 I472 L482 P483 S484 N488 L489 I495 A508 I512	I463-M486 HydrophobicContact CG2-CE 4.05Å; C464-M486 VanDerWaalsContact SG-CA 3.55Å; C464-M486 PolarHBondContact SG-N 2.77Å; C464-M486 VanDerWaalsContact SG-N 3.41Å; I472-M486 HydrophobicContact CD1-CE 4.38Å; L482-M486 HydrophobicContact CB-SD 4.43Å; L482-M486 HydrophobicContact CD1-SD 4.01Å; P483-M486 HydrophobicContact CG-CE 4.49Å; P483-M486 VanDerWaalsContact O-CB 3.24Å; P483-M486 WeakPolarHBondContact O-CB 3.37Å; P483-M486 PolarHBondContact O-N 3.07Å; P483-M486 VanDerWaalsContact O-N 3.11Å; S484-M486 PolarHBondContact O-N 2.99Å; M486-N488 PolarHBondContact O-N 3.03Å; M486-N488 VanDerWaalsContact O-N 3.11Å; M486-L489 HydrophobicContact CE-CD1 4.42Å; M486-L489 HydrophobicContact CG-CD1 3.78Å; M486-L489 HydrophobicContact CG-CG 4.45Å; M486-L489 WeakPolarHBondContact O-CB 3.31Å; M486-L489 PolarHBondContact O-N 2.77Å; M486-I495 HydrophobicContact SD-CD1 4.14Å; M486-A508 HydrophobicContact CB-CB 4.16Å; M486-I512 HydrophobicContact CB-CD1 4.29Å; M486-I512 HydrophobicContact CG-CD1 3.78Å; M486-I512 HydrophobicContact SD-CD1 4.49Å
487	K	87.5	Confident	91.4	Very high	110 Å²	110	46.2 Å²	46.2	48%	0.478	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-55	-23.2	167.7	73.6	-172.6	-176.6	-176.4	0	114.1	E485 L489 Q511	E485-K487 PolarHBondContact O-N 3.23Å; K487-L489 PolarHBondContact O-N 2.87Å; K487-Q511 HydrophobicContact CB-CB 3.93Å
488	N	89.4	Confident	90.9	Very high	92 Å²	92	46.3 Å²	46.3	49%	0.492	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-73.9	-14.4	179.1	-64.8	-19.6	0	0	0	112.7	E485 M486 S490	E485-N488 VanDerWaalsContact O-CB 3.25Å; E485-N488 WeakPolarHBondContact O-CB 3.34Å; E485-N488 PolarHBondContact O-N 3.1Å; E485-N488 PolarHBondContact O-ND2 3.22Å; M486-N488 PolarHBondContact O-N 3.03Å; M486-N488 VanDerWaalsContact O-N 3.11Å; N488-S490 PolarHBondContact O-N 2.82Å
489	L	91.9	Very high	90.4	Very high	1 Å²	1	45.8 Å²	45.8	1%	0.005	24%	0.239	C	C	.	.			trans	-77.7	69.4	177.5	-62.2	-178.9	0	0	0	111.5	L466 L469 I472 M486 K487 K491 L492	L466-L489 VanDerWaalsContact O-CD2 3.32Å; L466-L489 WeakPolarHBondContact O-CD2 3.1Å; L469-L489 HydrophobicContact CB-CD2 4.4Å; L469-L489 HydrophobicContact CD2-CD1 4.11Å; I472-L489 HydrophobicContact CD1-CD1 4.05Å; M486-L489 HydrophobicContact CE-CD1 4.42Å; M486-L489 HydrophobicContact CG-CD1 3.78Å; M486-L489 HydrophobicContact CG-CG 4.45Å; M486-L489 WeakPolarHBondContact O-CB 3.31Å; M486-L489 PolarHBondContact O-N 2.77Å; K487-L489 PolarHBondContact O-N 2.87Å; L489-K491 PolarHBondContact O-N 2.97Å; L489-L492 HydrophobicContact CB-CB 3.97Å; L489-L492 HydrophobicContact CD1-CD2 4.2Å; L489-L492 WeakPolarHBondContact O-CB 3.37Å; L489-L492 PolarHBondContact O-N 3.08Å
490	S	88.9	Confident	90.2	Very high	79 Å²	79	46.3 Å²	46.3	55%	0.552	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-3.4	-175.5	60.8	0	0	0	0	116.3	N488 T514	N488-S490 PolarHBondContact O-N 2.82Å; S490-T514 WeakPolarHBondContact O-CG2 3.47Å
491	K	91.8	Very high	90.2	Very high	107 Å²	107	48.2 Å²	48.2	47%	0.465	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115.8	-1.3	177.7	-68.1	-173.6	-179.8	176.6	0	113.6	L469 T470 L489 R493	L469-K491 CarbonylContact O-C 3.14Å; T470-K491 HydrophobicContact CG2-CB 4.27Å; L489-K491 PolarHBondContact O-N 2.97Å; K491-R493 PolarHBondContact O-N 3.35Å
492	L	94	Very high	90.3	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.217	C	C	.	.			trans	-68.3	123.6	-175.7	-174	66.2	0	0	0	110.1	L469 I472 L489 I512 T514 L515	L469-L492 WeakPolarHBondContact O-CA 3.36Å; L469-L492 PolarHBondContact O-N 3.29Å; I472-L492 HydrophobicContact CB-CD1 4.48Å; I472-L492 HydrophobicContact CD1-CD1 3.64Å; I472-L492 HydrophobicContact CD1-CD2 4.1Å; I472-L492 HydrophobicContact CG1-CD1 3.61Å; L489-L492 HydrophobicContact CB-CB 3.97Å; L489-L492 HydrophobicContact CD1-CD2 4.2Å; L489-L492 WeakPolarHBondContact O-CB 3.37Å; L489-L492 PolarHBondContact O-N 3.08Å; L492-I512 HydrophobicContact CB-CG2 4.23Å; L492-I512 HydrophobicContact CD2-CD1 4Å; L492-T514 CarbonylContact O-C 3.38Å; L492-T514 WeakPolarHBondContact O-CB 3.3Å; L492-T514 PolarHBondContact O-OG1 3.11Å; L492-L515 HydrophobicContact CD2-CD2 4.04Å; L492-L515 HydrophobicContact CG-CD2 3.86Å; L492-L515 PolarHBondContact O-N 3.16Å
493	R	89.9	Confident	90.2	Very high	119 Å²	119	47.2 Å²	47.2	45%	0.449	24%	0.24	S	C	.	.			trans	-114.3	-35.9	-178.6	-67.9	176.4	179.7	-126.1	-5.2	112.1	T470 K491 E516 T517	T470-R493 PolarHBondContact O-N 2.81Å; K491-R493 PolarHBondContact O-N 3.35Å; R493-E516 HydrophobicContact CB-CB 4.47Å; R493-E516 HydrophobicContact CB-CG 4.31Å; R493-E516 HydrophobicContact CG-CG 4.41Å; R493-E516 IonicContact CZ-OE1 3.56Å; R493-E516 IonicContact NE-OE1 2.76Å; R493-E516 IonicContact NH1-OE1 3.54Å; R493-E516 PolarHBondContact NH1-OE1 3.01Å; R493-E516 IonicContact NH1-OE2 3.52Å; R493-E516 WeakPolarHBondContact O-CA 3.47Å; R493-E516 PolarHBondContact O-N 3.06Å; R493-T517 PolarHBondContact O-N 3.19Å
494	C	87.9	Confident	90.3	Very high	22 Å²	22	49.3 Å²	49.3	15%	0.149	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	131.5	-176	-173.2	0	0	0	0	111	T470 H471 I472 T517	T470-C494 PolarHBondContact O-N 2.8Å; H471-C494 WeakPolarHBondContact CA-O 3.36Å; H471-C494 HydrophobicContact CB-CB 4.3Å; H471-C494 WeakPolarHBondContact CD2-CB 3.32Å; I472-C494 PolarHBondContact N-O 2.83Å; C494-T517 WeakPolarHBondContact CA-O 3.47Å
495	I	92.5	Very high	90.4	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	129.7	169.2	-164.6	170.4	0	0	0	110.7	I472 L482 M486 L497 L509 L515 T517 V518 M519	I472-I495 HydrophobicContact CB-CG1 4.31Å; I472-I495 CarbonylContact O-C 3.54Å; I472-I495 WeakPolarHBondContact O-CA 3.12Å; L482-I495 HydrophobicContact CD1-CD1 4.03Å; M486-I495 HydrophobicContact SD-CD1 4.14Å; I495-L497 HydrophobicContact CD1-CD1 4.09Å; I495-L497 HydrophobicContact CD1-CD2 4.07Å; I495-L497 HydrophobicContact CD1-CG 4.22Å; I495-L497 HydrophobicContact CG1-CD1 4.24Å; I495-L497 HydrophobicContact CG1-CD2 4.06Å; I495-L497 HydrophobicContact CG1-CG 3.97Å; I495-L497 HydrophobicContact CG2-CD1 4.5Å; I495-L509 HydrophobicContact CD1-CD2 4.02Å; I495-L509 HydrophobicContact CG2-CD1 4.43Å; I495-L509 HydrophobicContact CG2-CD2 4.06Å; I495-L515 HydrophobicContact CB-CD2 4.49Å; I495-L515 HydrophobicContact CG2-CD2 4.13Å; I495-T517 PolarHBondContact N-O 3.29Å; I495-V518 HydrophobicContact CG2-CB 4.41Å; I495-V518 HydrophobicContact CG2-CG1 4.26Å; I495-V518 HydrophobicContact CG2-CG2 4.05Å; I495-M519 PolarHBondContact O-N 3.17Å
496	V	82.1	Confident	90.5	Very high	9 Å²	9	42.1 Å²	42.1	6%	0.055	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	116.6	179.7	-171.6	0	0	0	0	109.1	I472 D473 L474 R475 N498 M519	I472-V496 PolarHBondContact O-N 2.79Å; D473-V496 HydrophobicContact CB-CB 4.24Å; L474-V496 CarbonylContact C-O 3.59Å; L474-V496 WeakPolarHBondContact CA-O 3.5Å; L474-V496 PolarHBondContact N-O 3.09Å; R475-V496 HydrophobicContact CB-CG1 4.06Å; R475-V496 PolarHBondContact N-O 2.95Å; V496-N498 WeakPolarHBondContact CG1-ND2 3.46Å; V496-M519 HydrophobicContact CB-CB 4.46Å; V496-M519 HydrophobicContact CG1-CB 4.07Å; V496-M519 HydrophobicContact CG1-CG 4.47Å; V496-M519 HydrophobicContact CG1-SD 4.03Å; V496-M519 HydrophobicContact CG2-CG 4.29Å; V496-M519 HydrophobicContact CG2-SD 3.99Å
497	L	90.1	Very high	90.5	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.235	C	C	.	.			trans	-127.8	15.3	-173.1	-61.2	171.8	0	0	0	111.8	L474 L482 I495 N500 F502 L509 M519 L520 N523	L474-L497 HydrophobicContact CB-CD2 4.06Å; L474-L497 HydrophobicContact CD1-CD2 3.97Å; L474-L497 HydrophobicContact CG-CD2 4.41Å; L482-L497 HydrophobicContact CD1-CD1 3.96Å; L482-L497 HydrophobicContact CD2-CD2 4.42Å; I495-L497 HydrophobicContact CD1-CD1 4.09Å; I495-L497 HydrophobicContact CD1-CD2 4.07Å; I495-L497 HydrophobicContact CD1-CG 4.22Å; I495-L497 HydrophobicContact CG1-CD1 4.24Å; I495-L497 HydrophobicContact CG1-CD2 4.06Å; I495-L497 HydrophobicContact CG1-CG 3.97Å; I495-L497 HydrophobicContact CG2-CD1 4.5Å; L497-N500 PolarHBondContact O-ND2 3.35Å; L497-F502 HydrophobicContact CB-CE2 4.05Å; L497-F502 HydrophobicContact CD1-CE2 4.28Å; L497-F502 HydrophobicContact CD1-CZ 4.35Å; L497-F502 HydrophobicContact CD2-CE2 4.13Å; L497-F502 HydrophobicContact CD2-CZ 4.25Å; L497-F502 HydrophobicContact CG-CE2 4.37Å; L497-L509 HydrophobicContact CD1-CD1 3.99Å; L497-M519 CarbonylContact C-O 3.5Å; L497-M519 WeakPolarHBondContact CA-O 3.5Å; L497-M519 WeakPolarHBondContact CB-O 3.49Å; L497-M519 PolarHBondContact N-O 3.31Å; L497-L520 HydrophobicContact CB-CD1 3.64Å; L497-L520 HydrophobicContact CD1-CD1 3.63Å; L497-L520 HydrophobicContact CG-CD1 4.27Å; L497-N523 PolarHBondContact O-ND2 3.21Å
498	N	78.7	Confident	90.8	Very high	13 Å²	13	41.6 Å²	41.6	7%	0.07	21%	0.214	C	C	.	.			trans	-59.6	147.3	-175.8	-56.3	-59	0	0	0	111.9	R475 N476 V496 N500 M519 G521	R475-N498 CarbonylContact C-O 3.37Å; R475-N498 WeakPolarHBondContact CA-O 3.32Å; R475-N498 HydrophobicContact CB-CB 4.32Å; R475-N498 WeakPolarHBondContact CB-O 3.3Å; N476-N498 PolarHBondContact N-O 3.01Å; V496-N498 WeakPolarHBondContact CG1-ND2 3.46Å; N498-N500 PolarHBondContact O-ND2 3.28Å; N498-M519 PolarHBondContact N-O 3.17Å; N498-M519 WeakPolarHBondContact ND2-CB 3.47Å; N498-G521 CarbonylContact C-O 3.33Å; N498-G521 WeakPolarHBondContact CA-O 3.26Å; N498-G521 WeakPolarHBondContact OD1-CA 3.49Å; N498-G521 PolarHBondContact OD1-N 3.07Å
499	H	83.1	Confident	91	Very high	55 Å²	55	37.2 Å²	37.2	26%	0.255	19%	0.19	S	C	.	.	S	Bend	trans	57.4	60.8	179.5	-58.6	-96.2	0	0	0	112.3	N476 N477 G521 N522	N476-H499 WeakPolarHBondContact CA-O 3.45Å; N476-H499 HydrophobicContact CB-CB 4.35Å; N476-H499 PolarHBondContact N-O 3.04Å; N476-H499 WeakPolarHBondContact OD1-CB 3.44Å; N477-H499 PolarHBondContact N-O 3.1Å; N477-H499 VanDerWaalsContact N-O 3.15Å; H499-G521 PolarHBondContact N-O 3.28Å; H499-N522 WeakPolarHBondContact CA-O 3.48Å; H499-N522 HydrophobicContact CB-CB 4.4Å; H499-N522 PolarHBondContact CE1-ND2 3.34Å; H499-N522 PolarHBondContact N-O 3.2Å; H499-N522 WeakPolarHBondContact ND1-CB 3.33Å; H499-N522 PolarHBondContact NE2-ND2 3.16Å; H499-N522 VanDerWaalsContact NE2-ND2 3.12Å
500	N	91.8	Very high	91.1	Very high	10 Å²	10	37.8 Å²	37.8	5%	0.053	19%	0.192	C	C	.	.	S	Bend	trans	-128.4	-160.5	172.7	-85.9	-78.5	0	0	0	109.6	L474 N477 Q478 L479 L497 N498 F502 N522 N523	L474-N500 PolarHBondContact O-ND2 2.95Å; N477-N500 WeakPolarHBondContact CA-OD1 3.39Å; N477-N500 WeakPolarHBondContact CB-OD1 3.45Å; N477-N500 PolarHBondContact O-OD1 3.2Å; Q478-N500 PolarHBondContact N-OD1 3.12Å; L479-N500 HydrophobicContact CB-CB 4.42Å; L479-N500 WeakPolarHBondContact CB-OD1 3.3Å; L479-N500 WeakPolarHBondContact CG-OD1 3.4Å; L479-N500 PolarHBondContact N-OD1 3.1Å; L497-N500 PolarHBondContact O-ND2 3.35Å; N498-N500 PolarHBondContact O-ND2 3.28Å; N500-F502 HydrophobicContact CB-CD2 3.63Å; N500-F502 HydrophobicContact CB-CE2 3.69Å; N500-N522 PolarHBondContact N-O 2.95Å; N500-N523 WeakPolarHBondContact CA-OD1 3.23Å; N500-N523 WeakPolarHBondContact CB-OD1 3.4Å; N500-N523 PolarHBondContact N-OD1 3.19Å; N500-N523 PolarHBondContact O-OD1 3.47Å
501	R	94.5	Very high	91.3	Very high	122 Å²	122	38.4 Å²	38.4	46%	0.46	19%	0.186	S	C	.	.			trans	-122.7	32.2	-177.7	-58.3	-178.2	-177.6	163.6	5.1	112.2	L479 T480 S503 N523	L479-R501 CarbonylContact O-C 3.46Å; L479-R501 WeakPolarHBondContact O-CA 3.2Å; L479-R501 PolarHBondContact O-N 2.8Å; T480-R501 HydrophobicContact CG2-CB 3.9Å; R501-S503 PolarHBondContact O-N 3.33Å; R501-N523 PolarHBondContact N-OD1 3.47Å
502	F	96	Very high	91.3	Very high	1 Å²	1	33.5 Å²	33.5	0%	0.004	17%	0.165	C	C	.	.			trans	-70.7	121.8	177.4	-68.7	-80.3	0	0	0	110.4	L479 T480 D481 L482 L497 N500 P506 L520 N523 Q524 V525	L479-F502 HydrophobicContact CB-CE2 3.87Å; L479-F502 HydrophobicContact CB-CZ 3.73Å; T480-F502 WeakPolarHBondContact O-CD1 3.07Å; D481-F502 VanDerWaalsContact CA-CE1 3.48Å; L482-F502 HydrophobicContact CD2-CZ 4.11Å; L482-F502 HydrophobicContact CG-CE1 4.05Å; L482-F502 HydrophobicContact CG-CZ 4.06Å; L497-F502 HydrophobicContact CB-CE2 4.05Å; L497-F502 HydrophobicContact CD1-CE2 4.28Å; L497-F502 HydrophobicContact CD1-CZ 4.35Å; L497-F502 HydrophobicContact CD2-CE2 4.13Å; L497-F502 HydrophobicContact CD2-CZ 4.25Å; L497-F502 HydrophobicContact CG-CE2 4.37Å; N500-F502 HydrophobicContact CB-CD2 3.63Å; N500-F502 HydrophobicContact CB-CE2 3.69Å; F502-P506 HydrophobicContact CD1-CG 3.64Å; F502-P506 HydrophobicContact CE1-CB 4.46Å; F502-P506 HydrophobicContact CE1-CG 3.65Å; F502-P506 HydrophobicContact CG-CG 4.37Å; F502-P506 HydrophobicContact CZ-CG 4.43Å; F502-L520 HydrophobicContact CD2-CD1 4.07Å; F502-L520 HydrophobicContact CG-CD1 4.4Å; F502-N523 HydrophobicContact CB-CB 4.34Å; F502-N523 WeakPolarHBondContact CD2-OD1 3.27Å; F502-N523 PolarHBondContact N-OD1 3.1Å; F502-N523 VanDerWaalsContact N-OD1 3.14Å; F502-Q524 CarbonylContact O-C 3.34Å; F502-Q524 VanDerWaalsContact O-CA 3.28Å; F502-Q524 WeakPolarHBondContact O-CA 3.41Å; F502-Q524 WeakPolarHBondContact O-CB 3.44Å; F502-Q524 PolarHBondContact O-N 3.33Å; F502-V525 HydrophobicContact CB-CG2 4.2Å; F502-V525 PolarHBondContact O-N 3.3Å
503	S	94.1	Very high	91.1	Very high	79 Å²	79	37.6 Å²	37.6	55%	0.552	19%	0.19	S	C	*	.	S	Bend	trans	-90.9	-17.7	177.1	57.4	0	0	0	0	113.5	R501 Q524 V525 G526	R501-S503 PolarHBondContact O-N 3.33Å; S503-Q524 CarbonylContact C-O 3.38Å; S503-Q524 WeakPolarHBondContact CA-O 3.18Å; S503-Q524 VanDerWaalsContact O-O 3.08Å; S503-V525 WeakPolarHBondContact O-CA 3.14Å; S503-G526 PolarHBondContact O-N 3.25Å; S503-G526 VanDerWaalsContact O-N 3.15Å
504	S	95	Very high	91.2	Very high	62 Å²	62	33.8 Å²	33.8	43%	0.434	18%	0.18	S	C	.	.	S	Bend	trans	-138.5	163.6	174.7	59.6	0	0	0	0	110.1	P506	S504-P506 WeakPolarHBondContact O-CD 3.32Å
505	F	94.6	Very high	91.4	Very high	3 Å²	3	32.8 Å²	32.8	1%	0.013	17%	0.173	C	C	.	.			trans	-64.9	125.1	170	-169.3	-85.8	0	0	0	109.1	E507 L509 Y510 V518 L520 V525 V528 L533 L542 L544	F505-E507 PolarHBondContact O-N 3.06Å; F505-L509 HydrophobicContact CD1-CB 4.47Å; F505-L509 HydrophobicContact CE1-CB 3.59Å; F505-L509 HydrophobicContact CE1-CD1 4.28Å; F505-L509 HydrophobicContact CZ-CB 4Å; F505-L509 HydrophobicContact CZ-CD1 4.13Å; F505-Y510 HydrophobicContact CB-CE2 4.46Å; F505-Y510 HydrophobicContact CD1-CD1 4.18Å; F505-Y510 HydrophobicContact CD1-CD2 4.06Å; F505-Y510 AromaticContact CD1-CE1 3.65Å; F505-Y510 HydrophobicContact CD1-CE1 3.65Å; F505-Y510 AromaticContact CD1-CE2 3.52Å; F505-Y510 HydrophobicContact CD1-CE2 3.52Å; F505-Y510 HydrophobicContact CD1-CG 4.37Å; F505-Y510 AromaticContact CD1-CZ 3.28Å; F505-Y510 AromaticContact CE1-CD1 3.93Å; F505-Y510 HydrophobicContact CE1-CD1 3.93Å; F505-Y510 HydrophobicContact CE1-CD2 4.38Å; F505-Y510 AromaticContact CE1-CE1 3.72Å; F505-Y510 HydrophobicContact CE1-CE1 3.72Å; F505-Y510 HydrophobicContact CE1-CE2 4.2Å; F505-Y510 HydrophobicContact CE1-CG 4.25Å; F505-Y510 AromaticContact CE1-CZ 3.86Å; F505-Y510 HydrophobicContact CG-CE1 4.46Å; F505-Y510 HydrophobicContact CG-CE2 4.38Å; F505-Y510 AromaticContact CG-CZ 3.94Å; F505-V518 HydrophobicContact CE2-CG1 4.2Å; F505-V518 HydrophobicContact CZ-CG1 4.38Å; F505-L520 HydrophobicContact CD2-CD2 3.64Å; F505-L520 HydrophobicContact CE2-CD2 4.12Å; F505-L520 HydrophobicContact CG-CD2 4.43Å; F505-V525 HydrophobicContact CB-CG1 4.44Å; F505-V528 HydrophobicContact CB-CG1 4.19Å; F505-V528 HydrophobicContact CD2-CG1 4.04Å; F505-V528 HydrophobicContact CG-CG1 4.39Å; F505-L533 HydrophobicContact CE1-CD2 4.27Å; F505-L533 HydrophobicContact CE2-CD2 4.4Å; F505-L533 HydrophobicContact CZ-CD2 3.95Å; F505-L542 HydrophobicContact CE2-CD1 4.06Å; F505-L544 HydrophobicContact CD2-CD2 4.43Å
506	P	94.8	Very high	91.3	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.006	19%	0.189	C	C	.	.			trans	-61.6	129.9	-172.6	-22.4	30.6	0	0	0	112.9	L482 F502 S504 A508 L509	L482-P506 HydrophobicContact CB-CB 4.31Å; L482-P506 HydrophobicContact CD1-CB 3.97Å; L482-P506 HydrophobicContact CD1-CG 4.12Å; L482-P506 HydrophobicContact CG-CB 4.18Å; L482-P506 HydrophobicContact CG-CG 4.39Å; F502-P506 HydrophobicContact CD1-CG 3.64Å; F502-P506 HydrophobicContact CE1-CB 4.46Å; F502-P506 HydrophobicContact CE1-CG 3.65Å; F502-P506 HydrophobicContact CG-CG 4.37Å; F502-P506 HydrophobicContact CZ-CG 4.43Å; S504-P506 WeakPolarHBondContact O-CD 3.32Å; P506-A508 PolarHBondContact O-N 3.18Å; P506-L509 HydrophobicContact CB-CD1 4.22Å; P506-L509 HydrophobicContact CB-CG 4.11Å; P506-L509 HydrophobicContact CG-CD1 3.99Å; P506-L509 HydrophobicContact CG-CG 4.42Å; P506-L509 PolarHBondContact O-N 3.21Å
507	E	92.9	Very high	91.3	Very high	96 Å²	96	37.3 Å²	37.3	45%	0.449	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-31.6	-175.7	-76.4	-63.6	132.4	0	0	113	F505 L509 Y510 R532	F505-E507 PolarHBondContact O-N 3.06Å; E507-L509 VanDerWaalsContact C-N 3.28Å; E507-L509 PolarHBondContact O-N 2.78Å; E507-Y510 PolarHBondContact O-N 3.06Å; E507-R532 IonicContact OE2-CZ 3.74Å; E507-R532 IonicContact OE2-NH1 3.09Å; E507-R532 PolarHBondContact OE2-NH1 2.85Å
508	A	93	Very high	91.4	Very high	3 Å²	3	37.3 Å²	37.3	3%	0.025	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-34.4	178.1	0	0	0	0	0	112.6	L482 P483 M486 P506 Y510 Q511 I512	L482-A508 HydrophobicContact CB-CB 4.29Å; P483-A508 WeakPolarHBondContact O-CB 3.42Å; M486-A508 HydrophobicContact CB-CB 4.16Å; P506-A508 PolarHBondContact O-N 3.18Å; A508-Y510 PolarHBondContact O-N 3.29Å; A508-Q511 PolarHBondContact O-N 3.41Å; A508-I512 WeakPolarHBondContact O-CG1 3.25Å
509	L	94.3	Very high	91.8	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-71	-29.2	-175.3	-63.6	-177	0	0	0	113	L482 I495 L497 F505 P506 E507 Q511 I512 L515 V518	L482-L509 HydrophobicContact CD1-CD1 4.26Å; L482-L509 HydrophobicContact CD1-CD2 3.83Å; L482-L509 HydrophobicContact CD1-CG 3.97Å; I495-L509 HydrophobicContact CD1-CD2 4.02Å; I495-L509 HydrophobicContact CG2-CD1 4.43Å; I495-L509 HydrophobicContact CG2-CD2 4.06Å; L497-L509 HydrophobicContact CD1-CD1 3.99Å; F505-L509 HydrophobicContact CD1-CB 4.47Å; F505-L509 HydrophobicContact CE1-CB 3.59Å; F505-L509 HydrophobicContact CE1-CD1 4.28Å; F505-L509 HydrophobicContact CZ-CB 4Å; F505-L509 HydrophobicContact CZ-CD1 4.13Å; P506-L509 HydrophobicContact CB-CD1 4.22Å; P506-L509 HydrophobicContact CB-CG 4.11Å; P506-L509 HydrophobicContact CG-CD1 3.99Å; P506-L509 HydrophobicContact CG-CG 4.42Å; P506-L509 PolarHBondContact O-N 3.21Å; E507-L509 VanDerWaalsContact C-N 3.28Å; E507-L509 PolarHBondContact O-N 2.78Å; L509-Q511 PolarHBondContact O-N 3.45Å; L509-I512 HydrophobicContact CD2-CD1 4.17Å; L509-I512 PolarHBondContact O-N 3.49Å; L509-L515 HydrophobicContact CB-CD1 4.32Å; L509-L515 HydrophobicContact CD2-CD1 3.95Å; L509-V518 HydrophobicContact CD1-CG1 4.09Å
510	Y	93.7	Very high	92.1	Very high	12 Å²	12	36.8 Å²	36.8	5%	0.047	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-62.5	-22.2	174.8	-69.1	-59.6	0	0	0	113.1	F505 E507 A508 D529 R532 L533	F505-Y510 HydrophobicContact CB-CE2 4.46Å; F505-Y510 HydrophobicContact CD1-CD1 4.18Å; F505-Y510 HydrophobicContact CD1-CD2 4.06Å; F505-Y510 AromaticContact CD1-CE1 3.65Å; F505-Y510 HydrophobicContact CD1-CE1 3.65Å; F505-Y510 AromaticContact CD1-CE2 3.52Å; F505-Y510 HydrophobicContact CD1-CE2 3.52Å; F505-Y510 HydrophobicContact CD1-CG 4.37Å; F505-Y510 AromaticContact CD1-CZ 3.28Å; F505-Y510 AromaticContact CE1-CD1 3.93Å; F505-Y510 HydrophobicContact CE1-CD1 3.93Å; F505-Y510 HydrophobicContact CE1-CD2 4.38Å; F505-Y510 AromaticContact CE1-CE1 3.72Å; F505-Y510 HydrophobicContact CE1-CE1 3.72Å; F505-Y510 HydrophobicContact CE1-CE2 4.2Å; F505-Y510 HydrophobicContact CE1-CG 4.25Å; F505-Y510 AromaticContact CE1-CZ 3.86Å; F505-Y510 HydrophobicContact CG-CE1 4.46Å; F505-Y510 HydrophobicContact CG-CE2 4.38Å; F505-Y510 AromaticContact CG-CZ 3.94Å; E507-Y510 PolarHBondContact O-N 3.06Å; A508-Y510 PolarHBondContact O-N 3.29Å; Y510-D529 HydrophobicContact CE1-CB 4.37Å; Y510-D529 PolarHBondContact OH-N 3.18Å; Y510-R532 HydrophobicContact CD1-CB 3.34Å; Y510-R532 HydrophobicContact CD1-CG 4.46Å; Y510-R532 HydrophobicContact CD2-CB 4.48Å; Y510-R532 HydrophobicContact CE1-CB 3.73Å; Y510-R532 HydrophobicContact CG-CB 3.78Å; Y510-L533 HydrophobicContact CD1-CD2 4.16Å; Y510-L533 HydrophobicContact CD1-CG 4.5Å; Y510-L533 HydrophobicContact CE1-CD2 3.76Å; Y510-L533 HydrophobicContact CE1-CG 3.85Å
511	Q	91.9	Very high	91.5	Very high	92 Å²	92	36.3 Å²	36.3	43%	0.43	19%	0.192	S	C	.	.	G	3₁₀ helix	trans	-92.5	-6.9	-175.1	-59	179	35.5	0	0	112.7	K487 A508 L509 V513	K487-Q511 HydrophobicContact CB-CB 3.93Å; A508-Q511 PolarHBondContact O-N 3.41Å; L509-Q511 PolarHBondContact O-N 3.45Å; Q511-V513 PolarHBondContact O-N 2.88Å
512	I	92.1	Very high	91	Very high	4 Å²	4	32.4 Å²	32.4	2%	0.021	18%	0.18	C	C	.	.			trans	-99.8	82.8	-174.4	-49	174.2	0	0	0	110.1	M486 L492 A508 L509 T514 L515 L536	M486-I512 HydrophobicContact CB-CD1 4.29Å; M486-I512 HydrophobicContact CG-CD1 3.78Å; M486-I512 HydrophobicContact SD-CD1 4.49Å; L492-I512 HydrophobicContact CB-CG2 4.23Å; L492-I512 HydrophobicContact CD2-CD1 4Å; A508-I512 WeakPolarHBondContact O-CG1 3.25Å; L509-I512 HydrophobicContact CD2-CD1 4.17Å; L509-I512 PolarHBondContact O-N 3.49Å; I512-T514 PolarHBondContact O-N 2.79Å; I512-L515 HydrophobicContact CB-CD1 3.74Å; I512-L515 HydrophobicContact CB-CG 3.89Å; I512-L515 HydrophobicContact CD1-CD1 4.27Å; I512-L515 HydrophobicContact CG1-CD1 4.49Å; I512-L515 HydrophobicContact CG2-CD1 4.14Å; I512-L515 HydrophobicContact CG2-CG 3.74Å; I512-L515 WeakPolarHBondContact O-CB 3.34Å; I512-L515 PolarHBondContact O-N 3.09Å; I512-L515 VanDerWaalsContact O-N 3.1Å; I512-L536 WeakPolarHBondContact O-CD2 3.28Å
513	V	90.3	Very high	90.9	Very high	86 Å²	86	32.9 Å²	32.9	52%	0.521	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-16.2	-174.9	-62	0	0	0	0	115.3	Q511 S538	Q511-V513 PolarHBondContact O-N 2.88Å; V513-S538 PolarHBondContact O-OG 2.95Å; V513-S538 VanDerWaalsContact O-OG 3.06Å
514	T	91.8	Very high	90.9	Very high	40 Å²	40	33.8 Å²	33.8	25%	0.245	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-6.8	178.5	55.6	0	0	0	0	114	S490 L492 I512 E516	S490-T514 WeakPolarHBondContact O-CG2 3.47Å; L492-T514 CarbonylContact O-C 3.38Å; L492-T514 WeakPolarHBondContact O-CB 3.3Å; L492-T514 PolarHBondContact O-OG1 3.11Å; I512-T514 PolarHBondContact O-N 2.79Å; T514-E516 PolarHBondContact O-N 3.25Å
515	L	93.2	Very high	90.9	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.157	C	C	.	.			trans	-64.5	124.3	179.5	-79.1	172.7	0	0	0	111.3	L492 I495 L509 I512 V518 S538 L539	L492-L515 HydrophobicContact CD2-CD2 4.04Å; L492-L515 HydrophobicContact CG-CD2 3.86Å; L492-L515 PolarHBondContact O-N 3.16Å; I495-L515 HydrophobicContact CB-CD2 4.49Å; I495-L515 HydrophobicContact CG2-CD2 4.13Å; L509-L515 HydrophobicContact CB-CD1 4.32Å; L509-L515 HydrophobicContact CD2-CD1 3.95Å; I512-L515 HydrophobicContact CB-CD1 3.74Å; I512-L515 HydrophobicContact CB-CG 3.89Å; I512-L515 HydrophobicContact CD1-CD1 4.27Å; I512-L515 HydrophobicContact CG1-CD1 4.49Å; I512-L515 HydrophobicContact CG2-CD1 4.14Å; I512-L515 HydrophobicContact CG2-CG 3.74Å; I512-L515 WeakPolarHBondContact O-CB 3.34Å; I512-L515 PolarHBondContact O-N 3.09Å; I512-L515 VanDerWaalsContact O-N 3.1Å; L515-V518 HydrophobicContact CB-CG2 4.46Å; L515-V518 HydrophobicContact CD1-CG2 4.01Å; L515-S538 CarbonylContact O-C 3.48Å; L515-S538 VanDerWaalsContact O-C 3.22Å; L515-S538 WeakPolarHBondContact O-CB 3.27Å; L515-L539 VanDerWaalsContact O-CA 3.23Å; L515-L539 WeakPolarHBondContact O-CA 3.32Å; L515-L539 PolarHBondContact O-N 3.02Å; L515-L539 VanDerWaalsContact O-N 3.11Å
516	E	89.6	Confident	90.7	Very high	72 Å²	72	32.4 Å²	32.4	34%	0.336	18%	0.175	S	C	.	.			trans	-101.1	-34.7	174.6	-63.6	176	-169.2	0	0	111.3	R493 T514 S538 S540 T541	R493-E516 HydrophobicContact CB-CB 4.47Å; R493-E516 HydrophobicContact CB-CG 4.31Å; R493-E516 HydrophobicContact CG-CG 4.41Å; R493-E516 IonicContact CZ-OE1 3.56Å; R493-E516 IonicContact NE-OE1 2.76Å; R493-E516 IonicContact NH1-OE1 3.54Å; R493-E516 PolarHBondContact NH1-OE1 3.01Å; R493-E516 IonicContact NH1-OE2 3.52Å; R493-E516 WeakPolarHBondContact O-CA 3.47Å; R493-E516 PolarHBondContact O-N 3.06Å; T514-E516 PolarHBondContact O-N 3.25Å; E516-S538 WeakPolarHBondContact CA-O 3.45Å; E516-S540 PolarHBondContact O-N 3.13Å; E516-T541 PolarHBondContact O-N 3.09Å
517	T	82.1	Confident	90.6	Very high	33 Å²	33	34.1 Å²	34.1	20%	0.202	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	125	-176.2	-62.6	0	0	0	0	111.5	R493 C494 I495 M519 T541	R493-T517 PolarHBondContact O-N 3.19Å; C494-T517 WeakPolarHBondContact CA-O 3.47Å; I495-T517 PolarHBondContact N-O 3.29Å; T517-M519 HydrophobicContact CG2-CG 3.98Å; T517-T541 WeakPolarHBondContact CA-O 3.38Å; T517-T541 HydrophobicContact CG2-CG2 3.93Å
518	V	92.6	Very high	90.6	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	115.3	171.6	178	0	0	0	0	108	I495 F505 L509 L515 L520 L539 T541 L542 D543	I495-V518 HydrophobicContact CG2-CB 4.41Å; I495-V518 HydrophobicContact CG2-CG1 4.26Å; I495-V518 HydrophobicContact CG2-CG2 4.05Å; F505-V518 HydrophobicContact CE2-CG1 4.2Å; F505-V518 HydrophobicContact CZ-CG1 4.38Å; L509-V518 HydrophobicContact CD1-CG1 4.09Å; L515-V518 HydrophobicContact CB-CG2 4.46Å; L515-V518 HydrophobicContact CD1-CG2 4.01Å; V518-L520 HydrophobicContact CG1-CB 4.46Å; V518-L539 HydrophobicContact CB-CD1 4.29Å; V518-L539 HydrophobicContact CG2-CD1 3.76Å; V518-T541 PolarHBondContact N-O 3.29Å; V518-L542 HydrophobicContact CB-CD1 4.08Å; V518-L542 HydrophobicContact CG1-CD1 4.17Å; V518-L542 WeakPolarHBondContact O-CA 3.31Å; V518-D543 PolarHBondContact O-N 3.19Å
519	M	85.6	Confident	90.6	Very high	57 Å²	57	32.9 Å²	32.9	28%	0.281	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	107.4	173.2	-50.6	-171.5	74.3	0	0	110.9	I495 V496 L497 N498 T517 D543	I495-M519 PolarHBondContact O-N 3.17Å; V496-M519 HydrophobicContact CB-CB 4.46Å; V496-M519 HydrophobicContact CG1-CB 4.07Å; V496-M519 HydrophobicContact CG1-CG 4.47Å; V496-M519 HydrophobicContact CG1-SD 4.03Å; V496-M519 HydrophobicContact CG2-CG 4.29Å; V496-M519 HydrophobicContact CG2-SD 3.99Å; L497-M519 CarbonylContact C-O 3.5Å; L497-M519 WeakPolarHBondContact CA-O 3.5Å; L497-M519 WeakPolarHBondContact CB-O 3.49Å; L497-M519 PolarHBondContact N-O 3.31Å; N498-M519 PolarHBondContact N-O 3.17Å; N498-M519 WeakPolarHBondContact ND2-CB 3.47Å; T517-M519 HydrophobicContact CG2-CG 3.98Å; M519-D543 HydrophobicContact CB-CB 4.35Å
520	L	91.3	Very high	90.4	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.194	C	C	.	.			trans	-122.9	22.8	-174.6	-159.1	67.1	0	0	0	111.5	L497 F502 F505 V518 N523 V525 D543 L544 N547	L497-L520 HydrophobicContact CB-CD1 3.64Å; L497-L520 HydrophobicContact CD1-CD1 3.63Å; L497-L520 HydrophobicContact CG-CD1 4.27Å; F502-L520 HydrophobicContact CD2-CD1 4.07Å; F502-L520 HydrophobicContact CG-CD1 4.4Å; F505-L520 HydrophobicContact CD2-CD2 3.64Å; F505-L520 HydrophobicContact CE2-CD2 4.12Å; F505-L520 HydrophobicContact CG-CD2 4.43Å; V518-L520 HydrophobicContact CG1-CB 4.46Å; L520-N523 PolarHBondContact O-ND2 2.77Å; L520-N523 VanDerWaalsContact O-ND2 3.12Å; L520-V525 HydrophobicContact CD2-CG2 3.76Å; L520-V525 HydrophobicContact CG-CG2 4.19Å; L520-D543 CarbonylContact C-O 3.47Å; L520-D543 VanDerWaalsContact CA-O 3.31Å; L520-D543 WeakPolarHBondContact CA-O 3.17Å; L520-D543 WeakPolarHBondContact CB-O 3.47Å; L520-D543 PolarHBondContact N-O 3.43Å; L520-L544 HydrophobicContact CB-CD2 4.23Å; L520-L544 HydrophobicContact CD2-CD2 3.99Å; L520-N547 PolarHBondContact O-ND2 2.77Å
521	G	78.4	Confident	90.2	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	22%	0.215	C	C	.	.			trans	-69.9	156.5	-177	0	0	0	0	0	113.5	N498 H499 N523 D543 S545	N498-G521 CarbonylContact C-O 3.33Å; N498-G521 WeakPolarHBondContact CA-O 3.26Å; N498-G521 WeakPolarHBondContact OD1-CA 3.49Å; N498-G521 PolarHBondContact OD1-N 3.07Å; H499-G521 PolarHBondContact N-O 3.28Å; G521-N523 PolarHBondContact O-ND2 3.05Å; G521-D543 PolarHBondContact N-O 3.42Å; G521-S545 CarbonylContact C-O 3.57Å; G521-S545 WeakPolarHBondContact CA-O 3.35Å
522	N	84.6	Confident	90.2	Very high	40 Å²	40	36.6 Å²	36.6	21%	0.214	21%	0.212	C	C	.	.	S	Bend	trans	57.2	56.1	-177.9	-56.2	-80.1	0	0	0	112.1	H499 N500 S545 N546	H499-N522 WeakPolarHBondContact CA-O 3.48Å; H499-N522 HydrophobicContact CB-CB 4.4Å; H499-N522 PolarHBondContact CE1-ND2 3.34Å; H499-N522 PolarHBondContact N-O 3.2Å; H499-N522 WeakPolarHBondContact ND1-CB 3.33Å; H499-N522 PolarHBondContact NE2-ND2 3.16Å; H499-N522 VanDerWaalsContact NE2-ND2 3.12Å; N500-N522 PolarHBondContact N-O 2.95Å; N522-S545 PolarHBondContact N-O 3.2Å; N522-N546 CarbonylContact C-O 3.48Å; N522-N546 WeakPolarHBondContact CA-O 3.18Å; N522-N546 HydrophobicContact CB-CB 4.39Å; N522-N546 PolarHBondContact N-O 2.98Å; N522-N546 WeakPolarHBondContact OD1-CB 3.48Å; N522-N546 PolarHBondContact OD1-ND2 3.17Å
523	N	92.3	Very high	90.2	Very high	11 Å²	11	36.5 Å²	36.5	6%	0.059	21%	0.212	C	C	.	.	S	Bend	trans	-132.8	-164.9	175.4	-83.4	-78.8	0	0	0	109.1	L497 N500 R501 F502 L520 G521 V525 N546 N547	L497-N523 PolarHBondContact O-ND2 3.21Å; N500-N523 WeakPolarHBondContact CA-OD1 3.23Å; N500-N523 WeakPolarHBondContact CB-OD1 3.4Å; N500-N523 PolarHBondContact N-OD1 3.19Å; N500-N523 PolarHBondContact O-OD1 3.47Å; R501-N523 PolarHBondContact N-OD1 3.47Å; F502-N523 HydrophobicContact CB-CB 4.34Å; F502-N523 WeakPolarHBondContact CD2-OD1 3.27Å; F502-N523 PolarHBondContact N-OD1 3.1Å; F502-N523 VanDerWaalsContact N-OD1 3.14Å; L520-N523 PolarHBondContact O-ND2 2.77Å; L520-N523 VanDerWaalsContact O-ND2 3.12Å; G521-N523 PolarHBondContact O-ND2 3.05Å; N523-V525 HydrophobicContact CB-CG2 4.17Å; N523-N546 PolarHBondContact N-O 3.18Å; N523-N546 VanDerWaalsContact N-O 3.16Å; N523-N547 WeakPolarHBondContact CA-OD1 3.21Å; N523-N547 WeakPolarHBondContact CB-OD1 3.22Å; N523-N547 WeakPolarHBondContact O-CA 3.48Å; N523-N547 PolarHBondContact O-OD1 2.77Å
524	Q	94.8	Very high	90.1	Very high	97 Å²	97	35.7 Å²	35.7	45%	0.453	20%	0.203	S	C	.	.			trans	-118.6	29	-178.1	-66.9	154.1	18.2	0	0	111.2	F502 S503 G526 N547 D548	F502-Q524 CarbonylContact O-C 3.34Å; F502-Q524 VanDerWaalsContact O-CA 3.28Å; F502-Q524 WeakPolarHBondContact O-CA 3.41Å; F502-Q524 WeakPolarHBondContact O-CB 3.44Å; F502-Q524 PolarHBondContact O-N 3.33Å; S503-Q524 CarbonylContact C-O 3.38Å; S503-Q524 WeakPolarHBondContact CA-O 3.18Å; S503-Q524 VanDerWaalsContact O-O 3.08Å; Q524-G526 PolarHBondContact O-N 3.38Å; Q524-N547 PolarHBondContact N-OD1 2.78Å; Q524-D548 WeakPolarHBondContact CA-OD2 3.27Å; Q524-D548 WeakPolarHBondContact CB-OD2 3.26Å
525	V	95.6	Very high	90	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.218	C	C	.	.			trans	-70.6	115.5	-172.1	178.1	0	0	0	0	110.4	F502 S503 F505 L520 N523 G527 N547 D548 L549	F502-V525 HydrophobicContact CB-CG2 4.2Å; F502-V525 PolarHBondContact O-N 3.3Å; S503-V525 WeakPolarHBondContact O-CA 3.14Å; F505-V525 HydrophobicContact CB-CG1 4.44Å; L520-V525 HydrophobicContact CD2-CG2 3.76Å; L520-V525 HydrophobicContact CG-CG2 4.19Å; N523-V525 HydrophobicContact CB-CG2 4.17Å; V525-G527 WeakPolarHBondContact CG1-O 3.49Å; V525-N547 HydrophobicContact CB-CB 4.31Å; V525-N547 VanDerWaalsContact CB-OD1 3.25Å; V525-N547 WeakPolarHBondContact CB-OD1 3.26Å; V525-N547 VanDerWaalsContact CG2-OD1 3.32Å; V525-N547 WeakPolarHBondContact CG2-OD1 3.28Å; V525-N547 PolarHBondContact N-OD1 3.26Å; V525-D548 CarbonylContact O-C 3.59Å; V525-D548 VanDerWaalsContact O-C 3.28Å; V525-D548 PolarHBondContact O-N 3.47Å; V525-L549 HydrophobicContact CG1-CD2 4.33Å; V525-L549 PolarHBondContact O-N 3.01Å
526	G	90.4	Very high	89.9	Confident	37 Å²	37	39.6 Å²	39.6	38%	0.381	22%	0.218	S	C	.	.			trans	-82.1	-20.9	-177.9	0	0	0	0	0	115.4	S503 Q524	S503-G526 PolarHBondContact O-N 3.25Å; S503-G526 VanDerWaalsContact O-N 3.15Å; Q524-G526 PolarHBondContact O-N 3.38Å
527	G	91.3	Very high	89.8	Confident	37 Å²	37	42.9 Å²	42.9	38%	0.381	24%	0.238	S	C	.	.			trans	-170.5	165.6	-178.2	0	0	0	0	0	114	V525	V525-G527 WeakPolarHBondContact CG1-O 3.49Å
528	V	93.4	Very high	90.1	Very high	18 Å²	18	43.9 Å²	43.9	11%	0.109	25%	0.246	C	C	.	.			trans	-131.4	147.1	175	-63.5	0	0	0	0	110.2	F505 P530 L533 L544 P553 L556	F505-V528 HydrophobicContact CB-CG1 4.19Å; F505-V528 HydrophobicContact CD2-CG1 4.04Å; F505-V528 HydrophobicContact CG-CG1 4.39Å; V528-P530 VanDerWaalsContact O-CD 3.29Å; V528-P530 WeakPolarHBondContact O-CD 3.29Å; V528-L533 HydrophobicContact CB-CD1 3.94Å; V528-L533 HydrophobicContact CG2-CD1 4.02Å; V528-L544 HydrophobicContact CG1-CD1 3.82Å; V528-L544 HydrophobicContact CG1-CD2 4.21Å; V528-P553 HydrophobicContact CG2-CG 4.12Å; V528-L556 HydrophobicContact CG2-CD1 3.98Å; V528-L556 HydrophobicContact CG2-CD2 4.41Å
529	D	93	Very high	90.1	Very high	54 Å²	54	44 Å²	44	29%	0.289	25%	0.247	S	C	.	.			trans	-91.3	105.1	175.3	-176	-19.3	0	0	0	109.6	Y510 S531 R532 L533	Y510-D529 HydrophobicContact CE1-CB 4.37Å; Y510-D529 PolarHBondContact OH-N 3.18Å; D529-S531 VanDerWaalsContact C-N 3.28Å; D529-S531 PolarHBondContact O-N 3.22Å; D529-S531 WeakPolarHBondContact OD1-CB 3.5Å; D529-S531 PolarHBondContact OD1-N 3.01Å; D529-R532 HydrophobicContact CB-CB 4.27Å; D529-R532 HydrophobicContact CB-CG 4.28Å; D529-R532 PolarHBondContact O-N 3.3Å; D529-R532 PolarHBondContact OD1-N 3.12Å; D529-R532 WeakPolarHBondContact OD2-CD 3.42Å; D529-R532 WeakPolarHBondContact OD2-CG 3.24Å; D529-R532 IonicContact OD2-NE 3.86Å; D529-R532 PolarHBondContact OD2-NE 2.9Å; D529-L533 WeakPolarHBondContact O-CG 3.33Å; D529-L533 PolarHBondContact O-N 2.9Å
530	P	89.3	Confident	89.9	Confident	16 Å²	16	42.8 Å²	42.8	10%	0.104	24%	0.244	C	C	.	.	H	α-helix	trans	-65.9	-30.9	-177.6	28.6	-36.1	0	0	0	112.6	V528 R532 L533 M534 P553 E555 L556	V528-P530 VanDerWaalsContact O-CD 3.29Å; V528-P530 WeakPolarHBondContact O-CD 3.29Å; P530-R532 VanDerWaalsContact C-N 3.26Å; P530-R532 PolarHBondContact O-N 2.87Å; P530-L533 PolarHBondContact O-N 3.18Å; P530-M534 WeakPolarHBondContact O-CG 3Å; P530-M534 PolarHBondContact O-N 3.46Å; P530-P553 HydrophobicContact CB-CB 4.41Å; P530-P553 HydrophobicContact CB-CG 4.41Å; P530-P553 HydrophobicContact CG-CB 3.93Å; P530-P553 HydrophobicContact CG-CG 4.18Å; P530-E555 HydrophobicContact CB-CB 3.64Å; P530-E555 HydrophobicContact CG-CB 3.78Å; P530-E555 HydrophobicContact CG-CG 4.4Å; P530-L556 HydrophobicContact CB-CD2 4.45Å; P530-L556 HydrophobicContact CB-CG 4.34Å
531	S	90.3	Very high	89.5	Confident	71 Å²	71	44.6 Å²	44.6	50%	0.497	26%	0.255	S	S	.	.	H	α-helix	trans	-65	-35.7	-179.2	-57.3	0	0	0	0	111.4	D529	D529-S531 VanDerWaalsContact C-N 3.28Å; D529-S531 PolarHBondContact O-N 3.22Å; D529-S531 WeakPolarHBondContact OD1-CB 3.5Å; D529-S531 PolarHBondContact OD1-N 3.01Å
532	R	93	Very high	90	Very high	95 Å²	95	44.6 Å²	44.6	36%	0.358	26%	0.255	S	S	.	.	H	α-helix	trans	-80.5	-38.2	175.5	-63.9	-178.8	-174.7	-149	6.4	112.3	E507 Y510 D529 P530 M534 Q535	E507-R532 IonicContact OE2-CZ 3.74Å; E507-R532 IonicContact OE2-NH1 3.09Å; E507-R532 PolarHBondContact OE2-NH1 2.85Å; Y510-R532 HydrophobicContact CD1-CB 3.34Å; Y510-R532 HydrophobicContact CD1-CG 4.46Å; Y510-R532 HydrophobicContact CD2-CB 4.48Å; Y510-R532 HydrophobicContact CE1-CB 3.73Å; Y510-R532 HydrophobicContact CG-CB 3.78Å; D529-R532 HydrophobicContact CB-CB 4.27Å; D529-R532 HydrophobicContact CB-CG 4.28Å; D529-R532 PolarHBondContact O-N 3.3Å; D529-R532 PolarHBondContact OD1-N 3.12Å; D529-R532 WeakPolarHBondContact OD2-CD 3.42Å; D529-R532 WeakPolarHBondContact OD2-CG 3.24Å; D529-R532 IonicContact OD2-NE 3.86Å; D529-R532 PolarHBondContact OD2-NE 2.9Å; P530-R532 VanDerWaalsContact C-N 3.26Å; P530-R532 PolarHBondContact O-N 2.87Å; R532-M534 VanDerWaalsContact C-N 3.25Å; R532-M534 PolarHBondContact O-N 3.26Å; R532-Q535 VanDerWaalsContact O-CB 3.29Å; R532-Q535 WeakPolarHBondContact O-CB 3.24Å; R532-Q535 PolarHBondContact O-N 3.08Å
533	L	91.6	Very high	90	Very high	3 Å²	3	43.6 Å²	43.6	2%	0.016	25%	0.25	C	C	.	.	H	α-helix	trans	-61	-35	174.5	-72.2	176.5	0	0	0	112.4	F505 Y510 V528 D529 P530 Q535 L536 L539 L542 L556	F505-L533 HydrophobicContact CE1-CD2 4.27Å; F505-L533 HydrophobicContact CE2-CD2 4.4Å; F505-L533 HydrophobicContact CZ-CD2 3.95Å; Y510-L533 HydrophobicContact CD1-CD2 4.16Å; Y510-L533 HydrophobicContact CD1-CG 4.5Å; Y510-L533 HydrophobicContact CE1-CD2 3.76Å; Y510-L533 HydrophobicContact CE1-CG 3.85Å; V528-L533 HydrophobicContact CB-CD1 3.94Å; V528-L533 HydrophobicContact CG2-CD1 4.02Å; D529-L533 WeakPolarHBondContact O-CG 3.33Å; D529-L533 PolarHBondContact O-N 2.9Å; P530-L533 PolarHBondContact O-N 3.18Å; L533-Q535 PolarHBondContact O-N 3.44Å; L533-L536 HydrophobicContact CD2-CD1 4.04Å; L533-L536 WeakPolarHBondContact O-CB 3.38Å; L533-L536 PolarHBondContact O-N 2.81Å; L533-L539 HydrophobicContact CD2-CD2 4.23Å; L533-L542 HydrophobicContact CD1-CD2 4.03Å; L533-L556 HydrophobicContact CD1-CD2 3.5Å; L533-L556 VanDerWaalsContact CD1-CD2 3.5Å
534	M	88.3	Confident	89.9	Confident	69 Å²	69	43.1 Å²	43.1	34%	0.34	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-21.5	174.5	-76.2	-171.4	-65.8	0	0	113.5	P530 R532 L536 L558 C559	P530-M534 WeakPolarHBondContact O-CG 3Å; P530-M534 PolarHBondContact O-N 3.46Å; R532-M534 VanDerWaalsContact C-N 3.25Å; R532-M534 PolarHBondContact O-N 3.26Å; M534-L536 PolarHBondContact O-N 3.13Å; M534-L558 HydrophobicContact SD-CB 3.77Å; M534-L558 HydrophobicContact SD-CD1 4.31Å; M534-C559 VanDerWaalsContact CG-SG 3.54Å
535	Q	89	Confident	89.3	Confident	121 Å²	121	38.7 Å²	38.7	57%	0.565	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-17.5	175.2	-57.1	175.9	8.3	0	0	112	R532 L533 L537	R532-Q535 VanDerWaalsContact O-CB 3.29Å; R532-Q535 WeakPolarHBondContact O-CB 3.24Å; R532-Q535 PolarHBondContact O-N 3.08Å; L533-Q535 PolarHBondContact O-N 3.44Å; Q535-L537 VanDerWaalsContact C-N 3.32Å; Q535-L537 PolarHBondContact O-N 3.17Å
536	L	90.6	Very high	88.9	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	24%	0.242	C	C	.	.			trans	-84.7	73.3	177.8	-56.4	179.5	0	0	0	110.5	I512 L533 M534 S538 L539 S561	I512-L536 WeakPolarHBondContact O-CD2 3.28Å; L533-L536 HydrophobicContact CD2-CD1 4.04Å; L533-L536 WeakPolarHBondContact O-CB 3.38Å; L533-L536 PolarHBondContact O-N 2.81Å; M534-L536 PolarHBondContact O-N 3.13Å; L536-S538 PolarHBondContact O-N 3.21Å; L536-S538 VanDerWaalsContact O-N 3.07Å; L536-L539 HydrophobicContact CB-CB 3.82Å; L536-L539 HydrophobicContact CB-CD2 4.41Å; L536-L539 HydrophobicContact CD1-CD2 4.09Å; L536-L539 WeakPolarHBondContact O-CB 3.43Å; L536-L539 PolarHBondContact O-N 3.42Å; L536-S561 PolarHBondContact O-OG 3.41Å
537	L	88.2	Confident	89	Confident	142 Å²	142	40 Å²	40	74%	0.743	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-22.8	-175.2	-59.5	178.5	0	0	0	114	Q535 S561	Q535-L537 VanDerWaalsContact C-N 3.32Å; Q535-L537 PolarHBondContact O-N 3.17Å; L537-S561 WeakPolarHBondContact O-CB 3.33Å
538	S	88.7	Confident	89.1	Confident	54 Å²	54	42.2 Å²	42.2	38%	0.378	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-12.5	179.4	-48.4	0	0	0	0	113.4	V513 L515 E516 L536 S540	V513-S538 PolarHBondContact O-OG 2.95Å; V513-S538 VanDerWaalsContact O-OG 3.06Å; L515-S538 CarbonylContact O-C 3.48Å; L515-S538 VanDerWaalsContact O-C 3.22Å; L515-S538 WeakPolarHBondContact O-CB 3.27Å; E516-S538 WeakPolarHBondContact CA-O 3.45Å; L536-S538 PolarHBondContact O-N 3.21Å; L536-S538 VanDerWaalsContact O-N 3.07Å; S538-S540 PolarHBondContact O-N 3.23Å
539	L	91.4	Very high	89.1	Confident	2 Å²	2	41.6 Å²	41.6	1%	0.01	22%	0.224	C	C	.	.			trans	-70.1	106.3	-170	-174.4	68.8	0	0	0	111.2	L515 V518 L533 L536 L542 S561 L562	L515-L539 VanDerWaalsContact O-CA 3.23Å; L515-L539 WeakPolarHBondContact O-CA 3.32Å; L515-L539 PolarHBondContact O-N 3.02Å; L515-L539 VanDerWaalsContact O-N 3.11Å; V518-L539 HydrophobicContact CB-CD1 4.29Å; V518-L539 HydrophobicContact CG2-CD1 3.76Å; L533-L539 HydrophobicContact CD2-CD2 4.23Å; L536-L539 HydrophobicContact CB-CB 3.82Å; L536-L539 HydrophobicContact CB-CD2 4.41Å; L536-L539 HydrophobicContact CD1-CD2 4.09Å; L536-L539 WeakPolarHBondContact O-CB 3.43Å; L536-L539 PolarHBondContact O-N 3.42Å; L539-L542 HydrophobicContact CD2-CB 4.44Å; L539-L542 HydrophobicContact CD2-CD2 4.44Å; L539-S561 CarbonylContact O-C 3.07Å; L539-S561 VanDerWaalsContact O-CB 3.25Å; L539-S561 WeakPolarHBondContact O-CB 3.24Å; L539-S561 PolarHBondContact O-OG 3.15Å; L539-S561 VanDerWaalsContact O-OG 3.1Å; L539-L562 HydrophobicContact CD2-CD2 4.02Å; L539-L562 HydrophobicContact CG-CD2 3.87Å; L539-L562 PolarHBondContact O-N 3.21Å
540	S	82.9	Confident	88.9	Confident	32 Å²	32	44.9 Å²	44.9	22%	0.224	24%	0.241	C	C	.	.			trans	-98.6	-34.5	179.9	174.9	0	0	0	0	112.4	E516 S538 S561 R563 C564	E516-S540 PolarHBondContact O-N 3.13Å; S538-S540 PolarHBondContact O-N 3.23Å; S540-S561 WeakPolarHBondContact CA-O 3.32Å; S540-R563 PolarHBondContact O-N 3.04Å; S540-R563 WeakPolarHBondContact OG-CD 3.4Å; S540-R563 WeakPolarHBondContact OG-CG 2.97Å; S540-C564 PolarHBondContact O-N 3.17Å
541	T	82.4	Confident	89	Confident	37 Å²	37	49.4 Å²	49.4	23%	0.227	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	121.1	-174.2	-58.7	0	0	0	0	110.3	E516 T517 V518 C564	E516-T541 PolarHBondContact O-N 3.09Å; T517-T541 WeakPolarHBondContact CA-O 3.38Å; T517-T541 HydrophobicContact CG2-CG2 3.93Å; V518-T541 PolarHBondContact N-O 3.29Å; T541-C564 WeakPolarHBondContact CA-O 3.46Å; T541-C564 HydrophobicContact CG2-CB 3.94Å
542	L	89.3	Confident	89	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	110.7	175.2	178.8	58	0	0	0	109.4	F505 V518 L533 L539 L544 L562 C564 L565 S566	F505-L542 HydrophobicContact CE2-CD1 4.06Å; V518-L542 HydrophobicContact CB-CD1 4.08Å; V518-L542 HydrophobicContact CG1-CD1 4.17Å; V518-L542 WeakPolarHBondContact O-CA 3.31Å; L533-L542 HydrophobicContact CD1-CD2 4.03Å; L539-L542 HydrophobicContact CD2-CB 4.44Å; L539-L542 HydrophobicContact CD2-CD2 4.44Å; L542-L544 HydrophobicContact CD1-CD1 4.37Å; L542-L544 HydrophobicContact CD1-CD2 4.25Å; L542-L544 HydrophobicContact CD1-CG 4.05Å; L542-L544 HydrophobicContact CD2-CD1 3.93Å; L542-L544 HydrophobicContact CD2-CG 4.45Å; L542-L544 HydrophobicContact CG-CD1 4.01Å; L542-L544 HydrophobicContact CG-CG 3.99Å; L542-L562 HydrophobicContact CB-CD2 3.72Å; L542-C564 PolarHBondContact N-O 3.31Å; L542-L565 HydrophobicContact CB-CD1 4.17Å; L542-L565 HydrophobicContact CD2-CD1 4.08Å; L542-L565 HydrophobicContact CG-CD1 4.1Å; L542-L565 WeakPolarHBondContact O-CA 3.18Å; L542-S566 PolarHBondContact O-N 2.75Å
543	D	84.2	Confident	88.8	Confident	20 Å²	20	43.3 Å²	43.3	11%	0.107	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	113.8	173.8	-174.2	6	0	0	0	110.3	V518 M519 L520 G521 S545 S566	V518-D543 PolarHBondContact O-N 3.19Å; M519-D543 HydrophobicContact CB-CB 4.35Å; L520-D543 CarbonylContact C-O 3.47Å; L520-D543 VanDerWaalsContact CA-O 3.31Å; L520-D543 WeakPolarHBondContact CA-O 3.17Å; L520-D543 WeakPolarHBondContact CB-O 3.47Å; L520-D543 PolarHBondContact N-O 3.43Å; G521-D543 PolarHBondContact N-O 3.42Å; D543-S545 VanDerWaalsContact OD1-CB 3.23Å; D543-S545 WeakPolarHBondContact OD1-CB 3.43Å; D543-S545 PolarHBondContact OD1-N 3.17Å; D543-S545 PolarHBondContact OD1-OG 3.05Å; D543-S566 WeakPolarHBondContact OD1-CB 3.35Å
544	L	89.8	Confident	88.8	Confident	0 Å²	0	45 Å²	45	0%	0	25%	0.246	C	C	.	.			trans	-120.2	22.2	174.3	-64.6	168.2	0	0	0	110.4	F505 L520 V528 L542 N547 L549 S566 L567 N570	F505-L544 HydrophobicContact CD2-CD2 4.43Å; L520-L544 HydrophobicContact CB-CD2 4.23Å; L520-L544 HydrophobicContact CD2-CD2 3.99Å; V528-L544 HydrophobicContact CG1-CD1 3.82Å; V528-L544 HydrophobicContact CG1-CD2 4.21Å; L542-L544 HydrophobicContact CD1-CD1 4.37Å; L542-L544 HydrophobicContact CD1-CD2 4.25Å; L542-L544 HydrophobicContact CD1-CG 4.05Å; L542-L544 HydrophobicContact CD2-CD1 3.93Å; L542-L544 HydrophobicContact CD2-CG 4.45Å; L542-L544 HydrophobicContact CG-CD1 4.01Å; L542-L544 HydrophobicContact CG-CG 3.99Å; L544-N547 PolarHBondContact O-ND2 3.23Å; L544-L549 HydrophobicContact CB-CD1 3.94Å; L544-L549 HydrophobicContact CD1-CD1 4.15Å; L544-S566 CarbonylContact C-O 3.16Å; L544-S566 WeakPolarHBondContact CA-O 3.31Å; L544-S566 PolarHBondContact N-O 2.89Å; L544-L567 HydrophobicContact CB-CD2 4.11Å; L544-L567 HydrophobicContact CD1-CD2 4.25Å; L544-N570 PolarHBondContact O-ND2 2.98Å
545	S	83.6	Confident	88.9	Confident	4 Å²	4	45 Å²	45	3%	0.028	25%	0.246	C	C	.	.			trans	-64.2	153	179.8	59.2	0	0	0	0	112.2	G521 N522 D543 N547 S566 E568	G521-S545 CarbonylContact C-O 3.57Å; G521-S545 WeakPolarHBondContact CA-O 3.35Å; N522-S545 PolarHBondContact N-O 3.2Å; D543-S545 VanDerWaalsContact OD1-CB 3.23Å; D543-S545 WeakPolarHBondContact OD1-CB 3.43Å; D543-S545 PolarHBondContact OD1-N 3.17Å; D543-S545 PolarHBondContact OD1-OG 3.05Å; S545-N547 PolarHBondContact O-N 3.19Å; S545-N547 PolarHBondContact O-ND2 2.84Å; S545-S566 PolarHBondContact N-O 2.97Å; S545-E568 CarbonylContact C-O 3.28Å; S545-E568 WeakPolarHBondContact CA-O 3.4Å; S545-E568 WeakPolarHBondContact CB-O 3.28Å
546	N	85.8	Confident	88.9	Confident	61 Å²	61	39.3 Å²	39.3	33%	0.326	22%	0.219	S	C	.	.	S	Bend	trans	49.6	55.5	178.7	-57.4	-23.4	0	0	0	112.3	N522 N523 E568 G569	N522-N546 CarbonylContact C-O 3.48Å; N522-N546 WeakPolarHBondContact CA-O 3.18Å; N522-N546 HydrophobicContact CB-CB 4.39Å; N522-N546 PolarHBondContact N-O 2.98Å; N522-N546 WeakPolarHBondContact OD1-CB 3.48Å; N522-N546 PolarHBondContact OD1-ND2 3.17Å; N523-N546 PolarHBondContact N-O 3.18Å; N523-N546 VanDerWaalsContact N-O 3.16Å; N546-E568 PolarHBondContact N-O 3.12Å; N546-G569 WeakPolarHBondContact OD1-CA 3.21Å
547	N	92.8	Very high	88.7	Confident	4 Å²	4	39.3 Å²	39.3	2%	0.021	22%	0.219	C	C	.	.	S	Bend	trans	-124.9	-176.4	175.8	-87.1	-82.4	0	0	0	110.1	L520 N523 Q524 V525 L544 S545 L549 N570 P571	L520-N547 PolarHBondContact O-ND2 2.77Å; N523-N547 WeakPolarHBondContact CA-OD1 3.21Å; N523-N547 WeakPolarHBondContact CB-OD1 3.22Å; N523-N547 WeakPolarHBondContact O-CA 3.48Å; N523-N547 PolarHBondContact O-OD1 2.77Å; Q524-N547 PolarHBondContact N-OD1 2.78Å; V525-N547 HydrophobicContact CB-CB 4.31Å; V525-N547 VanDerWaalsContact CB-OD1 3.25Å; V525-N547 WeakPolarHBondContact CB-OD1 3.26Å; V525-N547 VanDerWaalsContact CG2-OD1 3.32Å; V525-N547 WeakPolarHBondContact CG2-OD1 3.28Å; V525-N547 PolarHBondContact N-OD1 3.26Å; L544-N547 PolarHBondContact O-ND2 3.23Å; S545-N547 PolarHBondContact O-N 3.19Å; S545-N547 PolarHBondContact O-ND2 2.84Å; N547-L549 HydrophobicContact CB-CG 4.43Å; N547-N570 VanDerWaalsContact CA-OD1 3.31Å; N547-N570 WeakPolarHBondContact CA-OD1 3.29Å; N547-N570 WeakPolarHBondContact CB-OD1 3.12Å; N547-N570 PolarHBondContact N-OD1 3.16Å; N547-N570 WeakPolarHBondContact O-CA 3.42Å; N547-N570 PolarHBondContact O-OD1 3.34Å; N547-P571 WeakPolarHBondContact O-CD 3.4Å
548	D	93.5	Very high	88.7	Confident	84 Å²	84	36.7 Å²	36.7	45%	0.449	21%	0.205	S	C	.	.			trans	-99.8	28.8	-178.9	-68.3	-41	0	0	0	113.1	Q524 V525 L550	Q524-D548 WeakPolarHBondContact CA-OD2 3.27Å; Q524-D548 WeakPolarHBondContact CB-OD2 3.26Å; V525-D548 CarbonylContact O-C 3.59Å; V525-D548 VanDerWaalsContact O-C 3.28Å; V525-D548 PolarHBondContact O-N 3.47Å; D548-L550 PolarHBondContact O-N 3.28Å
549	L	92.8	Very high	88.6	Confident	4 Å²	4	34.3 Å²	34.3	2%	0.021	19%	0.189	C	C	.	.			trans	-64.2	110.6	-179.4	-64	173.4	0	0	0	111	V525 L544 N547 L567 N570 P571 F572	V525-L549 HydrophobicContact CG1-CD2 4.33Å; V525-L549 PolarHBondContact O-N 3.01Å; L544-L549 HydrophobicContact CB-CD1 3.94Å; L544-L549 HydrophobicContact CD1-CD1 4.15Å; N547-L549 HydrophobicContact CB-CG 4.43Å; L549-L567 HydrophobicContact CD1-CD2 3.89Å; L549-N570 HydrophobicContact CB-CB 4.15Å; L549-N570 WeakPolarHBondContact CB-OD1 3.27Å; L549-N570 VanDerWaalsContact CG-OD1 3.25Å; L549-N570 WeakPolarHBondContact CG-OD1 3.34Å; L549-N570 PolarHBondContact N-OD1 2.95Å; L549-N570 VanDerWaalsContact N-OD1 3.11Å; L549-P571 WeakPolarHBondContact O-CD 3.39Å; L549-P571 WeakPolarHBondContact O-CG 3.26Å; L549-F572 HydrophobicContact CB-CD1 4.18Å; L549-F572 WeakPolarHBondContact O-CB 3.46Å; L549-F572 PolarHBondContact O-N 3.01Å
550	L	90.3	Very high	88.1	Confident	124 Å²	124	40.5 Å²	40.5	65%	0.649	23%	0.226	S	C	*	.	S	Bend	trans	-74.5	-33	179	-66.2	176.6	0	0	0	112.7	D548 P571 F572	D548-L550 PolarHBondContact O-N 3.28Å; L550-P571 HydrophobicContact CD2-CG 4.24Å; L550-F572 WeakPolarHBondContact O-CA 3.2Å; L550-F572 VanDerWaalsContact O-CB 3.29Å; L550-F572 WeakPolarHBondContact O-CB 3.4Å
551	N	89.9	Confident	88.2	Confident	110 Å²	110	40.3 Å²	40.3	59%	0.588	23%	0.225	S	C	*	.			trans	-145.5	152.7	177.4	-67.9	-56.6	0	0	0	110
552	V	90.6	Very high	88.2	Confident	12 Å²	12	38.9 Å²	38.9	7%	0.073	22%	0.216	C	C	.	.			trans	-105.5	115.2	173.8	-175.7	0	0	0	0	108.5	L556 L567 F572 L591	V552-L556 HydrophobicContact CG1-CD1 3.79Å; V552-L567 HydrophobicContact CG1-CD1 3.95Å; V552-L567 HydrophobicContact CG2-CD1 4.09Å; V552-L567 HydrophobicContact CG2-CD2 4.45Å; V552-F572 HydrophobicContact CG2-CD1 3.51Å; V552-F572 HydrophobicContact CG2-CD2 4.13Å; V552-F572 HydrophobicContact CG2-CE1 3.59Å; V552-F572 HydrophobicContact CG2-CE2 4.24Å; V552-F572 HydrophobicContact CG2-CG 3.81Å; V552-F572 HydrophobicContact CG2-CZ 4.01Å; V552-L591 HydrophobicContact CB-CD2 4.31Å; V552-L591 HydrophobicContact CG1-CD1 3.88Å; V552-L591 HydrophobicContact CG1-CD2 3.85Å
553	P	90.1	Very high	87.7	Confident	27 Å²	27	48.2 Å²	48.2	18%	0.175	25%	0.251	C	S	.	.			trans	-62.7	128.1	-177.8	15.8	-23	0	0	0	111.5	V528 P530 E555 L556	V528-P553 HydrophobicContact CG2-CG 4.12Å; P530-P553 HydrophobicContact CB-CB 4.41Å; P530-P553 HydrophobicContact CB-CG 4.41Å; P530-P553 HydrophobicContact CG-CB 3.93Å; P530-P553 HydrophobicContact CG-CG 4.18Å; P553-E555 WeakPolarHBondContact CB-OE2 3.41Å; P553-E555 PolarHBondContact O-N 3.43Å; P553-L556 HydrophobicContact CG-CD1 3.8Å; P553-L556 HydrophobicContact CG-CG 4Å; P553-L556 WeakPolarHBondContact O-CB 3.39Å; P553-L556 PolarHBondContact O-N 3.48Å; P553-L556 VanDerWaalsContact O-N 3.16Å
554	P	90.4	Very high	87.5	Confident	37 Å²	37	49.5 Å²	49.5	24%	0.24	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-54.7	-31	178.1	-27.8	36.1	0	0	0	114.1	L556 G557 R594 I595	P554-L556 PolarHBondContact O-N 3.22Å; P554-G557 PolarHBondContact O-N 3.11Å; P554-R594 HydrophobicContact CB-CB 4.15Å; P554-R594 HydrophobicContact CG-CB 4.2Å; P554-I595 HydrophobicContact CB-CG1 3.86Å
555	E	91.3	Very high	87.2	Confident	71 Å²	71	49.9 Å²	49.9	33%	0.332	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-62.4	-21.8	-178.7	-59.5	79.1	-173.3	0	0	112.5	P530 P553 G557 L558	P530-E555 HydrophobicContact CB-CB 3.64Å; P530-E555 HydrophobicContact CG-CB 3.78Å; P530-E555 HydrophobicContact CG-CG 4.4Å; P553-E555 WeakPolarHBondContact CB-OE2 3.41Å; P553-E555 PolarHBondContact O-N 3.43Å; E555-G557 PolarHBondContact O-N 2.85Å; E555-G557 VanDerWaalsContact O-N 3.15Å; E555-L558 VanDerWaalsContact O-CB 3.31Å; E555-L558 WeakPolarHBondContact O-CB 3.03Å; E555-L558 PolarHBondContact O-N 2.75Å
556	L	89.2	Confident	87.1	Confident	1 Å²	1	51.6 Å²	51.6	1%	0.005	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-58	-25.7	169.6	-77.5	170.6	0	0	0	112.7	V528 P530 L533 V552 P553 P554 L558 C559 L591	V528-L556 HydrophobicContact CG2-CD1 3.98Å; V528-L556 HydrophobicContact CG2-CD2 4.41Å; P530-L556 HydrophobicContact CB-CD2 4.45Å; P530-L556 HydrophobicContact CB-CG 4.34Å; L533-L556 HydrophobicContact CD1-CD2 3.5Å; L533-L556 VanDerWaalsContact CD1-CD2 3.5Å; V552-L556 HydrophobicContact CG1-CD1 3.79Å; P553-L556 HydrophobicContact CG-CD1 3.8Å; P553-L556 HydrophobicContact CG-CG 4Å; P553-L556 WeakPolarHBondContact O-CB 3.39Å; P553-L556 PolarHBondContact O-N 3.48Å; P553-L556 VanDerWaalsContact O-N 3.16Å; P554-L556 PolarHBondContact O-N 3.22Å; L556-L558 PolarHBondContact O-N 3.08Å; L556-C559 WeakPolarHBondContact O-CB 3.44Å; L556-C559 PolarHBondContact O-N 3.24Å; L556-C559 VanDerWaalsContact O-N 3.17Å; L556-L591 HydrophobicContact CB-CD1 4.09Å
557	G	85.1	Confident	87	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-61.5	-24.4	173.2	0	0	0	0	0	113.4	P554 E555 C559 R592	P554-G557 PolarHBondContact O-N 3.11Å; E555-G557 PolarHBondContact O-N 2.85Å; E555-G557 VanDerWaalsContact O-N 3.15Å; G557-C559 VanDerWaalsContact C-N 3.33Å; G557-R592 VanDerWaalsContact O-CG 3.28Å; G557-R592 WeakPolarHBondContact O-CG 3.47Å; G557-R592 PolarHBondContact O-NE 2.78Å
558	L	87.8	Confident	86.4	Confident	87 Å²	87	53.2 Å²	53.2	46%	0.455	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-80.6	-11.7	178.1	-58.9	176.8	0	0	0	113.2	M534 E555 L556 T560 I595	M534-L558 HydrophobicContact SD-CB 3.77Å; M534-L558 HydrophobicContact SD-CD1 4.31Å; E555-L558 VanDerWaalsContact O-CB 3.31Å; E555-L558 WeakPolarHBondContact O-CB 3.03Å; E555-L558 PolarHBondContact O-N 2.75Å; L556-L558 PolarHBondContact O-N 3.08Å; L558-T560 VanDerWaalsContact C-N 3.33Å; L558-T560 PolarHBondContact O-N 3.42Å; L558-I595 HydrophobicContact CD1-CD1 3.93Å; L558-I595 HydrophobicContact CD2-CD1 3.59Å; L558-I595 HydrophobicContact CG-CD1 3.51Å
559	C	86.7	Confident	85.6	Confident	4 Å²	4	52 Å²	52	3%	0.027	29%	0.288	C	S	.	.			trans	-69.8	88.6	173.9	-63.7	0	0	0	0	110	M534 L556 G557 S561 L562	M534-C559 VanDerWaalsContact CG-SG 3.54Å; L556-C559 WeakPolarHBondContact O-CB 3.44Å; L556-C559 PolarHBondContact O-N 3.24Å; L556-C559 VanDerWaalsContact O-N 3.17Å; G557-C559 VanDerWaalsContact C-N 3.33Å; C559-S561 VanDerWaalsContact C-N 3.25Å; C559-S561 PolarHBondContact O-N 3.22Å; C559-L562 HydrophobicContact CB-CB 4.42Å; C559-L562 HydrophobicContact CB-CD1 3.67Å; C559-L562 HydrophobicContact CB-CG 3.98Å; C559-L562 PolarHBondContact O-N 3.17Å
560	T	81.6	Confident	85.4	Confident	131 Å²	131	52.8 Å²	52.8	80%	0.804	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-19.6	-177.3	54.1	0	0	0	0	113.9	L558	L558-T560 VanDerWaalsContact C-N 3.33Å; L558-T560 PolarHBondContact O-N 3.42Å
561	S	84.5	Confident	85.4	Confident	28 Å²	28	50.1 Å²	50.1	20%	0.196	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-28.9	176.4	50.2	0	0	0	0	112.9	L536 L537 L539 S540 C559 R563	L536-S561 PolarHBondContact O-OG 3.41Å; L537-S561 WeakPolarHBondContact O-CB 3.33Å; L539-S561 CarbonylContact O-C 3.07Å; L539-S561 VanDerWaalsContact O-CB 3.25Å; L539-S561 WeakPolarHBondContact O-CB 3.24Å; L539-S561 PolarHBondContact O-OG 3.15Å; L539-S561 VanDerWaalsContact O-OG 3.1Å; S540-S561 WeakPolarHBondContact CA-O 3.32Å; C559-S561 VanDerWaalsContact C-N 3.25Å; C559-S561 PolarHBondContact O-N 3.22Å; S561-R563 PolarHBondContact O-N 3.22Å
562	L	82.4	Confident	85.4	Confident	8 Å²	8	46 Å²	46	4%	0.042	26%	0.259	C	S	.	.			trans	-69.4	118.2	-175.8	-75.7	176.9	0	0	0	111.9	L539 L542 C559 L588	L539-L562 HydrophobicContact CD2-CD2 4.02Å; L539-L562 HydrophobicContact CG-CD2 3.87Å; L539-L562 PolarHBondContact O-N 3.21Å; L542-L562 HydrophobicContact CB-CD2 3.72Å; C559-L562 HydrophobicContact CB-CB 4.42Å; C559-L562 HydrophobicContact CB-CD1 3.67Å; C559-L562 HydrophobicContact CB-CG 3.98Å; C559-L562 PolarHBondContact O-N 3.17Å; L562-L588 HydrophobicContact CB-CD1 4.34Å; L562-L588 WeakPolarHBondContact O-CD1 3.26Å
563	R	80.1	Confident	85.2	Confident	196 Å²	196	55.9 Å²	55.9	74%	0.74	30%	0.295	S	S	*	.	S	Bend	trans	-104.8	-27.8	173.7	-55.2	-175.8	-175.6	-162.8	0.4	112	S540 S561 T584	S540-R563 PolarHBondContact O-N 3.04Å; S540-R563 WeakPolarHBondContact OG-CD 3.4Å; S540-R563 WeakPolarHBondContact OG-CG 2.97Å; S561-R563 PolarHBondContact O-N 3.22Å; R563-T584 WeakPolarHBondContact O-CB 2.97Å; R563-T584 VanDerWaalsContact O-CG2 3.28Å; R563-T584 WeakPolarHBondContact O-CG2 3.41Å; R563-T584 PolarHBondContact O-OG1 2.86Å
564	C	79.2	Confident	85	Confident	46 Å²	46	58 Å²	58	31%	0.311	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	117.1	179.6	-170.3	0	0	0	0	110	S540 T541 L542 T584	S540-C564 PolarHBondContact O-N 3.17Å; T541-C564 WeakPolarHBondContact CA-O 3.46Å; T541-C564 HydrophobicContact CG2-CB 3.94Å; L542-C564 PolarHBondContact N-O 3.31Å; C564-T584 WeakPolarHBondContact CA-OG1 3.23Å
565	L	83.9	Confident	84.7	Confident	9 Å²	9	56.3 Å²	56.3	5%	0.047	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	108.7	175.6	178.8	59.7	0	0	0	108.8	L542 L567 T584 V587 L588	L542-L565 HydrophobicContact CB-CD1 4.17Å; L542-L565 HydrophobicContact CD2-CD1 4.08Å; L542-L565 HydrophobicContact CG-CD1 4.1Å; L542-L565 WeakPolarHBondContact O-CA 3.18Å; L565-L567 HydrophobicContact CD1-CD2 4.2Å; L565-L567 HydrophobicContact CD1-CG 4.19Å; L565-L567 HydrophobicContact CD2-CD1 3.93Å; L565-L567 HydrophobicContact CD2-CG 4.39Å; L565-L567 HydrophobicContact CG-CD1 4.03Å; L565-L567 HydrophobicContact CG-CD2 4.48Å; L565-L567 HydrophobicContact CG-CG 3.96Å; L565-T584 HydrophobicContact CB-CG2 3.79Å; L565-T584 PolarHBondContact N-OG1 3Å; L565-T584 VanDerWaalsContact N-OG1 3.08Å; L565-V587 HydrophobicContact CD2-CG1 4.29Å; L565-L588 HydrophobicContact CD2-CD2 3.94Å
566	S	81.3	Confident	84.5	Confident	40 Å²	40	62 Å²	62	28%	0.28	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	121.3	177.9	-63.9	0	0	0	0	109.8	L542 D543 L544 S545	L542-S566 PolarHBondContact O-N 2.75Å; D543-S566 WeakPolarHBondContact OD1-CB 3.35Å; L544-S566 CarbonylContact C-O 3.16Å; L544-S566 WeakPolarHBondContact CA-O 3.31Å; L544-S566 PolarHBondContact N-O 2.89Å; S545-S566 PolarHBondContact N-O 2.97Å
567	L	82.8	Confident	84	Confident	2 Å²	2	65.8 Å²	65.8	1%	0.01	35%	0.347	C	S	.	.			trans	-128.1	4.6	-177.9	-66.6	169.7	0	0	0	112.8	L544 L549 V552 L565 N570 F572 V580 V587	L544-L567 HydrophobicContact CB-CD2 4.11Å; L544-L567 HydrophobicContact CD1-CD2 4.25Å; L549-L567 HydrophobicContact CD1-CD2 3.89Å; V552-L567 HydrophobicContact CG1-CD1 3.95Å; V552-L567 HydrophobicContact CG2-CD1 4.09Å; V552-L567 HydrophobicContact CG2-CD2 4.45Å; L565-L567 HydrophobicContact CD1-CD2 4.2Å; L565-L567 HydrophobicContact CD1-CG 4.19Å; L565-L567 HydrophobicContact CD2-CD1 3.93Å; L565-L567 HydrophobicContact CD2-CG 4.39Å; L565-L567 HydrophobicContact CG-CD1 4.03Å; L565-L567 HydrophobicContact CG-CD2 4.48Å; L565-L567 HydrophobicContact CG-CG 3.96Å; L567-N570 PolarHBondContact O-ND2 3.11Å; L567-F572 HydrophobicContact CB-CE1 3.87Å; L567-F572 WeakPolarHBondContact O-CE1 3.38Å; L567-F572 HydrophobicContact CB-CZ 3.72Å; L567-F572 WeakPolarHBondContact O-CZ 3.28Å; L567-V580 HydrophobicContact CB-CG1 4.43Å; L567-V587 HydrophobicContact CD1-CG1 3.93Å
568	E	80.9	Confident	83.7	Confident	97 Å²	97	69.1 Å²	69.1	45%	0.453	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	147.8	-178.1	-63.6	-177.8	161.4	0	0	111.4	K368 S545 N546 N570 V580	K368-E568 IonicContact NZ-OE2 3.86Å; S545-E568 CarbonylContact C-O 3.28Å; S545-E568 WeakPolarHBondContact CA-O 3.4Å; S545-E568 WeakPolarHBondContact CB-O 3.28Å; N546-E568 PolarHBondContact N-O 3.12Å; E568-N570 PolarHBondContact O-N 3.2Å; E568-V580 HydrophobicContact CG-CG1 3.84Å
569	G	77.4	Confident	83.4	Confident	58 Å²	58	66.7 Å²	66.7	60%	0.598	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.7	15.4	174.7	0	0	0	0	0	116.7	N546	N546-G569 WeakPolarHBondContact OD1-CA 3.21Å
570	N	88.7	Confident	83.1	Confident	20 Å²	20	67.2 Å²	67.2	11%	0.107	37%	0.365	C	S	.	.			trans	-94.8	159.1	171.4	-76.6	-91.9	0	0	0	112.3	L544 N547 L549 L567 E568 F572	L544-N570 PolarHBondContact O-ND2 2.98Å; N547-N570 VanDerWaalsContact CA-OD1 3.31Å; N547-N570 WeakPolarHBondContact CA-OD1 3.29Å; N547-N570 WeakPolarHBondContact CB-OD1 3.12Å; N547-N570 PolarHBondContact N-OD1 3.16Å; N547-N570 WeakPolarHBondContact O-CA 3.42Å; N547-N570 PolarHBondContact O-OD1 3.34Å; L549-N570 HydrophobicContact CB-CB 4.15Å; L549-N570 WeakPolarHBondContact CB-OD1 3.27Å; L549-N570 VanDerWaalsContact CG-OD1 3.25Å; L549-N570 WeakPolarHBondContact CG-OD1 3.34Å; L549-N570 PolarHBondContact N-OD1 2.95Å; L549-N570 VanDerWaalsContact N-OD1 3.11Å; L567-N570 PolarHBondContact O-ND2 3.11Å; E568-N570 PolarHBondContact O-N 3.2Å; N570-F572 VanDerWaalsContact C-N 3.34Å; N570-F572 HydrophobicContact CB-CD1 3.4Å; N570-F572 HydrophobicContact CB-CE1 3.35Å; N570-F572 HydrophobicContact CB-CG 4.46Å; N570-F572 HydrophobicContact CB-CZ 4.35Å; N570-F572 PolarHBondContact O-N 3.07Å
571	P	89.9	Confident	82.7	Confident	68 Å²	68	64 Å²	64	44%	0.442	35%	0.351	S	S	.	.	S	Bend	trans	-78	-7.4	-177.4	30	-35.5	0	0	0	115.3	N547 L549 L550	N547-P571 WeakPolarHBondContact O-CD 3.4Å; L549-P571 WeakPolarHBondContact O-CD 3.39Å; L549-P571 WeakPolarHBondContact O-CG 3.26Å; L550-P571 HydrophobicContact CD2-CG 4.24Å
572	F	90.3	Very high	82.2	Confident	23 Å²	23	70.3 Å²	70.3	10%	0.101	38%	0.375	C	S	.	.			trans	-58.5	144.5	179	63.9	-105.3	0	0	0	112.5	L549 L550 V552 L567 N570 P575 V580	L549-F572 HydrophobicContact CB-CD1 4.18Å; L549-F572 WeakPolarHBondContact O-CB 3.46Å; L549-F572 PolarHBondContact O-N 3.01Å; L550-F572 WeakPolarHBondContact O-CA 3.2Å; L550-F572 VanDerWaalsContact O-CB 3.29Å; L550-F572 WeakPolarHBondContact O-CB 3.4Å; V552-F572 HydrophobicContact CG2-CD1 3.51Å; V552-F572 HydrophobicContact CG2-CD2 4.13Å; V552-F572 HydrophobicContact CG2-CE1 3.59Å; V552-F572 HydrophobicContact CG2-CE2 4.24Å; V552-F572 HydrophobicContact CG2-CG 3.81Å; V552-F572 HydrophobicContact CG2-CZ 4.01Å; L567-F572 HydrophobicContact CB-CE1 3.87Å; L567-F572 WeakPolarHBondContact O-CE1 3.38Å; L567-F572 HydrophobicContact CB-CZ 3.72Å; L567-F572 WeakPolarHBondContact O-CZ 3.28Å; N570-F572 VanDerWaalsContact C-N 3.34Å; N570-F572 HydrophobicContact CB-CD1 3.4Å; N570-F572 HydrophobicContact CB-CE1 3.35Å; N570-F572 HydrophobicContact CB-CG 4.46Å; N570-F572 HydrophobicContact CB-CZ 4.35Å; N570-F572 PolarHBondContact O-N 3.07Å; F572-P575 WeakPolarHBondContact CE2-O 3.41Å; F572-P575 VanDerWaalsContact CE2-O 3.29Å; F572-P575 HydrophobicContact CE2-CG 3.93Å; F572-V580 HydrophobicContact CE2-CG2 4.05Å; F572-V580 HydrophobicContact CZ-CG2 4.16Å
573	R	85.5	Confident	81.8	Confident	220 Å²	220	71.5 Å²	71.5	83%	0.83	39%	0.389	S	S	*	.			trans	-92.6	-22.4	175.9	-66.5	-177.8	-179.7	-94.8	-0.1	113.2
574	T	85.6	Confident	81.7	Confident	72 Å²	72	63.3 Å²	63.3	44%	0.442	36%	0.361	S	S	.	.	S	Bend	trans	-132.4	123.1	-177	48	0	0	0	0	108.9
575	P	85.3	Confident	82	Confident	2 Å²	2	67 Å²	67	1%	0.013	38%	0.378	C	S	.	.	S	Bend	cis	-64.3	150.3	2.4	24.5	-32.1	0	0	0	114.3	F572 I579 V580 Y590	F572-P575 WeakPolarHBondContact CE2-O 3.41Å; F572-P575 VanDerWaalsContact CE2-O 3.29Å; F572-P575 HydrophobicContact CE2-CG 3.93Å; P575-I579 HydrophobicContact CB-CB 4.35Å; P575-I579 HydrophobicContact CB-CG2 4.36Å; P575-V580 HydrophobicContact CB-CG2 4.3Å; P575-V580 HydrophobicContact CG-CG2 3.94Å; P575-Y590 HydrophobicContact CB-CD1 3.71Å; P575-Y590 HydrophobicContact CB-CE1 3.65Å
576	R	86.4	Confident	82	Confident	189 Å²	189	67.9 Å²	67.9	71%	0.713	39%	0.386	S	S	*	.			trans	-64	148	176.6	-68.1	-176.4	-179.2	178.4	0.5	110.1	A578 I579 V580	R576-A578 PolarHBondContact O-N 3.42Å; R576-I579 PolarHBondContact O-N 3.39Å; R576-I579 WeakPolarHBondContact O-CB 3.39Å; R576-I579 WeakPolarHBondContact O-CA 3.31Å; R576-V580 PolarHBondContact O-N 3.28Å
577	A	78.6	Confident	82.3	Confident	81 Å²	81	66.1 Å²	66.1	67%	0.669	37%	0.374	S	S	*	.	H	α-helix	trans	-51.3	-35	177.7	0	0	0	0	0	113.8	I579 V580 A581	A577-I579 VanDerWaalsContact C-N 3.27Å; A577-I579 PolarHBondContact O-N 3.33Å; A577-V580 PolarHBondContact O-N 2.61Å; A577-A581 WeakPolarHBondContact O-CB 3.26Å; A577-A581 PolarHBondContact O-N 3.24Å
578	A	78.4	Confident	82.6	Confident	70 Å²	70	66.1 Å²	66.1	58%	0.579	37%	0.374	S	S	*	.	H	α-helix	trans	-64.9	-26.7	176.1	0	0	0	0	0	114.1	R576 K582	R576-A578 PolarHBondContact O-N 3.42Å; A578-K582 WeakPolarHBondContact O-CG 3.25Å
579	I	81.6	Confident	83	Confident	36 Å²	36	67.9 Å²	67.9	19%	0.185	38%	0.382	C	S	.	.	H	α-helix	trans	-80.1	-43	174.3	-58.9	179.5	0	0	0	109.2	P575 R576 A577 A581 K582 V587 Y590	P575-I579 HydrophobicContact CB-CB 4.35Å; P575-I579 HydrophobicContact CB-CG2 4.36Å; R576-I579 PolarHBondContact O-N 3.39Å; R576-I579 WeakPolarHBondContact O-CB 3.39Å; R576-I579 WeakPolarHBondContact O-CA 3.31Å; A577-I579 VanDerWaalsContact C-N 3.27Å; A577-I579 PolarHBondContact O-N 3.33Å; I579-A581 VanDerWaalsContact C-N 3.3Å; I579-A581 PolarHBondContact O-N 3.06Å; I579-K582 PolarHBondContact O-N 3.25Å; I579-K582 VanDerWaalsContact O-N 3.14Å; I579-K582 WeakPolarHBondContact O-CB 3.35Å; I579-V587 HydrophobicContact CG2-CG2 4.46Å; I579-Y590 HydrophobicContact CD1-CD2 3.42Å; I579-Y590 VanDerWaalsContact CD1-CD2 3.42Å; I579-Y590 HydrophobicContact CD1-CE2 3.55Å; I579-Y590 HydrophobicContact CD1-CG 3.94Å; I579-Y590 HydrophobicContact CG2-CG 4.07Å
580	V	79.8	Confident	83.7	Confident	16 Å²	16	67.3 Å²	67.3	10%	0.097	36%	0.362	C	S	.	.	H	α-helix	trans	-57.6	-43.6	175.1	-176.8	0	0	0	0	111.1	L567 E568 F572 P575 R576 A577 K582 G583	L567-V580 HydrophobicContact CB-CG1 4.43Å; E568-V580 HydrophobicContact CG-CG1 3.84Å; F572-V580 HydrophobicContact CE2-CG2 4.05Å; F572-V580 HydrophobicContact CZ-CG2 4.16Å; P575-V580 HydrophobicContact CB-CG2 4.3Å; P575-V580 HydrophobicContact CG-CG2 3.94Å; R576-V580 PolarHBondContact O-N 3.28Å; A577-V580 PolarHBondContact O-N 2.61Å; V580-K582 PolarHBondContact O-N 3.45Å; V580-G583 PolarHBondContact O-N 3Å; V580-G583 VanDerWaalsContact O-N 3.08Å
581	A	73.6	Confident	83.8	Confident	63 Å²	63	66.6 Å²	66.6	52%	0.521	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-17.8	179.4	0	0	0	0	0	114.8	A577 I579 G583	A577-A581 WeakPolarHBondContact O-CB 3.26Å; A577-A581 PolarHBondContact O-N 3.24Å; I579-A581 VanDerWaalsContact C-N 3.3Å; I579-A581 PolarHBondContact O-N 3.06Å; A581-G583 PolarHBondContact O-N 3.16Å
582	K	74.3	Confident	83.8	Confident	161 Å²	161	69 Å²	69	70%	0.7	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-5.4	174.8	-72.1	175.9	-179.6	-170.9	0	112.8	A578 I579 V580 A586	A578-K582 WeakPolarHBondContact O-CG 3.25Å; I579-K582 PolarHBondContact O-N 3.25Å; I579-K582 VanDerWaalsContact O-N 3.14Å; I579-K582 WeakPolarHBondContact O-CB 3.35Å; V580-K582 PolarHBondContact O-N 3.45Å; K582-A586 HydrophobicContact CD-CB 4.5Å; K582-A586 HydrophobicContact CB-CB 3.59Å
583	G	74	Confident	83.8	Confident	33 Å²	33	72 Å²	72	34%	0.34	38%	0.382	S	S	.	.			trans	91.3	174.2	175.9	0	0	0	0	0	114.1	V580 A581 N585 A586 V587	V580-G583 PolarHBondContact O-N 3Å; V580-G583 VanDerWaalsContact O-N 3.08Å; A581-G583 PolarHBondContact O-N 3.16Å; G583-N585 PolarHBondContact O-N 3.14Å; G583-A586 PolarHBondContact O-N 2.54Å; G583-V587 PolarHBondContact O-N 3.45Å
584	T	78.4	Confident	84	Confident	23 Å²	23	68.7 Å²	68.7	14%	0.141	37%	0.369	C	S	.	.	H	α-helix	trans	-50.9	-47.7	-168.9	-50.4	0	0	0	0	114.3	R563 C564 L565 A586 V587 L588	R563-T584 WeakPolarHBondContact O-CB 2.97Å; R563-T584 VanDerWaalsContact O-CG2 3.28Å; R563-T584 WeakPolarHBondContact O-CG2 3.41Å; R563-T584 PolarHBondContact O-OG1 2.86Å; C564-T584 WeakPolarHBondContact CA-OG1 3.23Å; L565-T584 HydrophobicContact CB-CG2 3.79Å; L565-T584 PolarHBondContact N-OG1 3Å; L565-T584 VanDerWaalsContact N-OG1 3.08Å; T584-A586 VanDerWaalsContact C-N 3.33Å; T584-A586 PolarHBondContact O-N 3.34Å; T584-V587 WeakPolarHBondContact O-CB 3.43Å; T584-V587 PolarHBondContact O-N 3.45Å; T584-V587 VanDerWaalsContact O-N 3.14Å; T584-L588 PolarHBondContact O-N 3.41Å; T584-L588 WeakPolarHBondContact O-CG 3.08Å; T584-L588 HydrophobicContact CG2-CG 4.04Å; T584-L588 HydrophobicContact CG2-CD1 3.72Å
585	N	84.3	Confident	84	Confident	125 Å²	125	67.5 Å²	67.5	67%	0.668	36%	0.36	S	S	*	.	H	α-helix	trans	-61.3	-42.3	-175.6	-70.1	-18.2	0	0	0	112	G583 V587 L588 E589	G583-N585 PolarHBondContact O-N 3.14Å; N585-V587 VanDerWaalsContact C-N 3.33Å; N585-L588 PolarHBondContact O-N 3.26Å; N585-E589 VanDerWaalsContact O-CB 3.3Å; N585-E589 WeakPolarHBondContact O-CB 3.02Å; N585-E589 PolarHBondContact O-N 3.05Å
586	A	84.8	Confident	83.5	Confident	27 Å²	27	72.8 Å²	72.8	22%	0.223	39%	0.394	C	S	.	.	H	α-helix	trans	-67.8	-35.5	178.1	0	0	0	0	0	111.9	K582 G583 T584 Y590	K582-A586 HydrophobicContact CD-CB 4.5Å; K582-A586 HydrophobicContact CB-CB 3.59Å; G583-A586 PolarHBondContact O-N 2.54Å; T584-A586 VanDerWaalsContact C-N 3.33Å; T584-A586 PolarHBondContact O-N 3.34Å; A586-Y590 VanDerWaalsContact O-CB 3.25Å; A586-Y590 WeakPolarHBondContact O-CB 3.25Å; A586-Y590 PolarHBondContact O-N 3.33Å
587	V	87.5	Confident	82.2	Confident	2 Å²	2	73.9 Å²	73.9	1%	0.012	42%	0.422	C	S	.	.	H	α-helix	trans	-66.7	-49.5	174.8	174.6	0	0	0	0	110.8	L565 L567 I579 G583 T584 N585 E589 Y590 L591	L565-V587 HydrophobicContact CD2-CG1 4.29Å; L567-V587 HydrophobicContact CD1-CG1 3.93Å; I579-V587 HydrophobicContact CG2-CG2 4.46Å; G583-V587 PolarHBondContact O-N 3.45Å; T584-V587 WeakPolarHBondContact O-CB 3.43Å; T584-V587 PolarHBondContact O-N 3.45Å; T584-V587 VanDerWaalsContact O-N 3.14Å; N585-V587 VanDerWaalsContact C-N 3.33Å; V587-E589 PolarHBondContact O-N 3.41Å; V587-Y590 PolarHBondContact O-N 3.44Å; V587-Y590 WeakPolarHBondContact O-CB 3.37Å; V587-L591 HydrophobicContact CG1-CD1 3.97Å; V587-L591 HydrophobicContact CG1-CG 4.41Å; V587-L591 VanDerWaalsContact O-CG 3.27Å; V587-L591 WeakPolarHBondContact O-CG 3.28Å; V587-L591 PolarHBondContact O-N 3.23Å
588	L	88.8	Confident	82.4	Confident	3 Å²	3	73.6 Å²	73.6	2%	0.016	41%	0.41	C	S	.	.	H	α-helix	trans	-63.4	-41.9	-179.9	-67.3	177.6	0	0	0	111.7	L562 L565 T584 N585 L591 R592	L562-L588 HydrophobicContact CB-CD1 4.34Å; L562-L588 WeakPolarHBondContact O-CD1 3.26Å; L565-L588 HydrophobicContact CD2-CD2 3.94Å; T584-L588 PolarHBondContact O-N 3.41Å; T584-L588 WeakPolarHBondContact O-CG 3.08Å; T584-L588 HydrophobicContact CG2-CG 4.04Å; T584-L588 HydrophobicContact CG2-CD1 3.72Å; N585-L588 PolarHBondContact O-N 3.26Å; L588-L591 PolarHBondContact O-N 3.41Å; L588-R592 WeakPolarHBondContact O-CG 3.27Å; L588-R592 PolarHBondContact O-N 2.92Å
589	E	89.4	Confident	82.6	Confident	133 Å²	133	73.7 Å²	73.7	62%	0.621	40%	0.401	S	S	*	.	H	α-helix	trans	-62.3	-44.1	174.9	-173.7	179.7	-173.4	0	0	111.8	N585 V587 L591 R592 S593	N585-E589 VanDerWaalsContact O-CB 3.3Å; N585-E589 WeakPolarHBondContact O-CB 3.02Å; N585-E589 PolarHBondContact O-N 3.05Å; V587-E589 PolarHBondContact O-N 3.41Å; E589-L591 VanDerWaalsContact C-N 3.35Å; E589-L591 PolarHBondContact O-N 3.27Å; E589-R592 PolarHBondContact O-N 2.82Å; E589-S593 PolarHBondContact O-N 2.98Å; E589-S593 VanDerWaalsContact O-N 3.07Å
590	Y	91.9	Very high	82.7	Confident	47 Å²	47	75.8 Å²	75.8	18%	0.184	41%	0.413	C	S	.	.	H	α-helix	trans	-58.9	-45.9	174.3	173.1	-93.3	0	0	0	111.7	P575 I579 A586 V587 S593 R594	P575-Y590 HydrophobicContact CB-CD1 3.71Å; P575-Y590 HydrophobicContact CB-CE1 3.65Å; I579-Y590 HydrophobicContact CD1-CD2 3.42Å; I579-Y590 VanDerWaalsContact CD1-CD2 3.42Å; I579-Y590 HydrophobicContact CD1-CE2 3.55Å; I579-Y590 HydrophobicContact CD1-CG 3.94Å; I579-Y590 HydrophobicContact CG2-CG 4.07Å; A586-Y590 VanDerWaalsContact O-CB 3.25Å; A586-Y590 WeakPolarHBondContact O-CB 3.25Å; A586-Y590 PolarHBondContact O-N 3.33Å; V587-Y590 PolarHBondContact O-N 3.44Å; V587-Y590 WeakPolarHBondContact O-CB 3.37Å; Y590-S593 PolarHBondContact O-N 3.13Å; Y590-S593 PolarHBondContact O-OG 3.11Å; Y590-R594 HydrophobicContact CE1-CG 4.27Å
591	L	90.9	Very high	82.8	Confident	4 Å²	4	79.4 Å²	79.4	2%	0.021	43%	0.432	C	S	.	.	H	α-helix	trans	-62.8	-43.4	179.2	-68.3	172.2	0	0	0	111.4	V552 L556 V587 L588 E589 S593 R594	V552-L591 HydrophobicContact CB-CD2 4.31Å; V552-L591 HydrophobicContact CG1-CD1 3.88Å; V552-L591 HydrophobicContact CG1-CD2 3.85Å; L556-L591 HydrophobicContact CB-CD1 4.09Å; V587-L591 HydrophobicContact CG1-CD1 3.97Å; V587-L591 HydrophobicContact CG1-CG 4.41Å; V587-L591 VanDerWaalsContact O-CG 3.27Å; V587-L591 WeakPolarHBondContact O-CG 3.28Å; V587-L591 PolarHBondContact O-N 3.23Å; L588-L591 PolarHBondContact O-N 3.41Å; E589-L591 VanDerWaalsContact C-N 3.35Å; E589-L591 PolarHBondContact O-N 3.27Å; L591-S593 VanDerWaalsContact C-N 3.29Å; L591-S593 PolarHBondContact O-N 3.27Å; L591-R594 PolarHBondContact O-N 2.94Å
592	R	90.6	Very high	83.4	Confident	119 Å²	119	80.4 Å²	80.4	45%	0.449	43%	0.426	S	S	.	.	H	α-helix	trans	-57.7	-40.1	174.7	-70.9	176.2	-154.1	150.4	7.4	112.6	G557 L588 E589 R594 I595	G557-R592 VanDerWaalsContact O-CG 3.28Å; G557-R592 WeakPolarHBondContact O-CG 3.47Å; G557-R592 PolarHBondContact O-NE 2.78Å; L588-R592 WeakPolarHBondContact O-CG 3.27Å; L588-R592 PolarHBondContact O-N 2.92Å; E589-R592 PolarHBondContact O-N 2.82Å; R592-R594 PolarHBondContact O-N 3.21Å; R592-R594 VanDerWaalsContact O-N 3.11Å; R592-I595 PolarHBondContact O-N 3.09Å
593	S	89.8	Confident	84	Confident	85 Å²	85	75 Å²	75	59%	0.594	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-10.3	179.1	77.8	0	0	0	0	114.4	E589 Y590 L591	E589-S593 PolarHBondContact O-N 2.98Å; E589-S593 VanDerWaalsContact O-N 3.07Å; Y590-S593 PolarHBondContact O-N 3.13Å; Y590-S593 PolarHBondContact O-OG 3.11Å; L591-S593 VanDerWaalsContact C-N 3.29Å; L591-S593 PolarHBondContact O-N 3.27Å
594	R	89.1	Confident	84.7	Confident	151 Å²	151	78 Å²	78	57%	0.57	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.9	0.1	-178.2	-64.5	-59.7	-172.6	-175.2	-1.3	113.9	P554 Y590 L591 R592 P596	P554-R594 HydrophobicContact CB-CB 4.15Å; P554-R594 HydrophobicContact CG-CB 4.2Å; Y590-R594 HydrophobicContact CE1-CG 4.27Å; L591-R594 PolarHBondContact O-N 2.94Å; R592-R594 PolarHBondContact O-N 3.21Å; R592-R594 VanDerWaalsContact O-N 3.11Å; R594-P596 WeakPolarHBondContact O-CD 3.4Å
595	I	86.6	Confident	85.2	Confident	48 Å²	48	82.2 Å²	82.2	25%	0.246	43%	0.434	C	S	.	.	S	Bend	trans	-75.5	121.1	175.3	-57.9	173.1	0	0	0	107.7	P554 L558 R592 T597	P554-I595 HydrophobicContact CB-CG1 3.86Å; L558-I595 HydrophobicContact CD1-CD1 3.93Å; L558-I595 HydrophobicContact CD2-CD1 3.59Å; L558-I595 HydrophobicContact CG-CD1 3.51Å; R592-I595 PolarHBondContact O-N 3.09Å; I595-T597 PolarHBondContact O-N 2.96Å
596	P	73.9	Confident	85.3	Confident	112 Å²	112	78.7 Å²	78.7	73%	0.727	41%	0.414	S	S	*	.			trans	-60.2	125.8	174.6	-17.6	30	0	0	0	109.6	R594	R594-P596 WeakPolarHBondContact O-CD 3.4Å
597	T	60.1	Low	85.3	Confident	213 Å²	213	83.4 Å²	83.4	100%	1.307	43%	0.432	S	S	*	.			trans	-70.3	0	174.4	47.9	0	0	0	0	112.6	I595	I595-T597 PolarHBondContact O-N 2.96Å

Retrieved 597 of 597 residues in 1111.5 ms (Link to these results)

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