A0A077ZDV8_TRITR Loading...

Cna B domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZDV8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 721 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	34.9	Very low	41.4	Very low	236 Å²	236	126.2 Å²	126.2	100%	1.163	74%	0.738	S	S	*	*				0	109.3	0	-64.5	-174.9	-159.7	0	0	106	V3	M1-V3 PolarHBondContact O-N 3.34Å; M1-V3 VanDerWaalsContact O-N 3.12Å
2	G	32.5	Very low	45.6	Very low	80 Å²	80	115.7 Å²	115.7	83%	0.825	68%	0.676	S	S	*	*			trans	-71.8	103.8	-179.7	0	0	0	0	0	108.7	T4	G2-T4 PolarHBondContact O-N 3.16Å
3	V	27.3	Very low	49.2	Very low	133 Å²	133	115.6 Å²	115.6	81%	0.806	67%	0.666	S	S	*	*			trans	-75.7	89.5	164	-176.6	0	0	0	0	104.7	M1 A5	M1-V3 PolarHBondContact O-N 3.34Å; M1-V3 VanDerWaalsContact O-N 3.12Å; V3-A5 PolarHBondContact O-N 3.14Å
4	T	26.2	Very low	52.5	Low	112 Å²	112	107.5 Å²	107.5	69%	0.687	62%	0.619	S	S	*	*			trans	-62.8	96.1	157.7	38.1	0	0	0	0	105.3	G2 F6	G2-T4 PolarHBondContact O-N 3.16Å; T4-F6 VanDerWaalsContact C-N 3.27Å; T4-F6 PolarHBondContact O-N 3.38Å
5	A	24	Very low	55.3	Low	87 Å²	87	101.5 Å²	101.5	72%	0.719	58%	0.584	S	S	*	*			trans	-58.1	101.8	161.8	0	0	0	0	0	105.2	V3 A7	V3-A5 PolarHBondContact O-N 3.14Å; A5-A7 PolarHBondContact O-N 3.14Å
6	F	27.9	Very low	57.7	Low	184 Å²	184	95.2 Å²	95.2	81%	0.807	55%	0.547	S	S	*	.			trans	-55.8	114.8	155.9	-72.1	-87.8	0	0	0	103.5	T4 E8	T4-F6 VanDerWaalsContact C-N 3.27Å; T4-F6 PolarHBondContact O-N 3.38Å; F6-E8 PolarHBondContact O-N 3.41Å
7	A	30.3	Very low	59.6	Low	85 Å²	85	90.9 Å²	90.9	70%	0.702	52%	0.521	S	S	*	.			trans	-47.9	118	163.9	0	0	0	0	0	104.5	A5 E9	A5-A7 PolarHBondContact O-N 3.14Å; A7-E9 PolarHBondContact O-N 3.42Å
8	E	36.7	Very low	61.1	Low	186 Å²	186	85.9 Å²	85.9	87%	0.869	49%	0.492	S	S	*	.			trans	-50	108.3	175.6	-164.2	168.2	-156.3	0	0	104.8	F6 S10	F6-E8 PolarHBondContact O-N 3.41Å; E8-S10 VanDerWaalsContact C-N 3.29Å; E8-S10 PolarHBondContact O-N 2.92Å
9	E	53.8	Low	61.9	Low	128 Å²	128	85.5 Å²	85.5	60%	0.598	48%	0.482	S	S	*	.			trans	-60.7	101.5	-174.8	-80.9	-175.5	179.2	0	0	105.7	A7 L11	A7-E9 PolarHBondContact O-N 3.42Å; E9-L11 WeakPolarHBondContact O-CG 3.18Å; E9-L11 PolarHBondContact O-N 3.47Å; E9-L11 VanDerWaalsContact O-N 3.12Å
10	S	74.2	Confident	62.1	Low	66 Å²	66	83.2 Å²	83.2	46%	0.462	47%	0.47	S	S	.	.	P	Polyproline II helix	trans	-55.1	122.7	-179.8	45.7	0	0	0	0	107.5	E8 R98	E8-S10 VanDerWaalsContact C-N 3.29Å; E8-S10 PolarHBondContact O-N 2.92Å; S10-R98 WeakPolarHBondContact O-CB 3.33Å; S10-R98 WeakPolarHBondContact O-CG 2.69Å; S10-R98 PolarHBondContact O-N 2.94Å; S10-R98 VanDerWaalsContact OG-CD 3.25Å; S10-R98 WeakPolarHBondContact OG-CD 3.34Å
11	L	87.9	Confident	62.1	Low	91 Å²	91	86.7 Å²	86.7	48%	0.476	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	148.8	-179.8	-58.5	176.5	0	0	0	109.2	E9 L96 P97	E9-L11 WeakPolarHBondContact O-CG 3.18Å; E9-L11 PolarHBondContact O-N 3.47Å; E9-L11 VanDerWaalsContact O-N 3.12Å; L11-L96 CarbonylContact C-O 3.55Å; L11-L96 VanDerWaalsContact CA-O 3.28Å; L11-L96 WeakPolarHBondContact CA-O 2.84Å; L11-P97 HydrophobicContact CD2-CB 4.34Å; L11-P97 HydrophobicContact CD2-CG 4.03Å
12	V	91	Very high	63	Low	0 Å²	0	82.4 Å²	82.4	0%	0	47%	0.47	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	128.8	164	63.5	0	0	0	0	108.6	V14 S95 L96 L127 L141	V12-V14 HydrophobicContact CG1-CG2 4.22Å; V12-S95 WeakPolarHBondContact O-CA 3.45Å; V12-L96 HydrophobicContact CG1-CB 3.9Å; V12-L96 WeakPolarHBondContact CG1-O 3.34Å; V12-L96 PolarHBondContact N-O 2.97Å; V12-L96 PolarHBondContact O-N 2.8Å; V12-L127 HydrophobicContact CG1-CD1 3.63Å; V12-L127 HydrophobicContact CG1-CD2 4.07Å; V12-L141 HydrophobicContact CG2-CD1 3.95Å; V12-L141 HydrophobicContact CG2-CG 3.8Å
13	E	92.5	Very high	64	Low	115 Å²	115	80.3 Å²	80.3	54%	0.537	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	127.7	171.4	-67.6	-171	166.7	0	0	109.3	D139 K140 L141	E13-D139 PolarHBondContact N-O 3.45Å; E13-K140 HydrophobicContact CB-CB 4.47Å; E13-K140 HydrophobicContact CB-CG 4.28Å; E13-K140 CarbonylContact O-C 3.57Å; E13-K140 VanDerWaalsContact O-CA 3.24Å; E13-K140 WeakPolarHBondContact O-CA 3.2Å; E13-L141 PolarHBondContact O-N 2.85Å
14	V	95.3	Very high	65.5	Low	2 Å²	2	81 Å²	81	1%	0.012	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	117.4	177.1	-171.4	0	0	0	0	108.7	V12 I16 S93 L94 L96 I125 L141 I143	V12-V14 HydrophobicContact CG1-CG2 4.22Å; V14-I16 HydrophobicContact CG1-CD1 4.41Å; V14-I16 HydrophobicContact CG1-CG1 3.91Å; V14-S93 WeakPolarHBondContact O-CA 3.34Å; V14-L94 HydrophobicContact CB-CD1 3.76Å; V14-L94 HydrophobicContact CB-CG 4.21Å; V14-L94 HydrophobicContact CG2-CD1 4.08Å; V14-L94 PolarHBondContact N-O 2.82Å; V14-L94 PolarHBondContact O-N 2.92Å; V14-L96 HydrophobicContact CG2-CD1 3.81Å; V14-L96 HydrophobicContact CG2-CG 4.18Å; V14-I125 HydrophobicContact CG1-CD1 3.92Å; V14-I125 HydrophobicContact CG2-CD1 4.23Å; V14-L141 WeakPolarHBondContact CA-O 3.17Å; V14-L141 HydrophobicContact CG1-CB 4.39Å; V14-L141 HydrophobicContact CG2-CB 4.37Å; V14-L141 HydrophobicContact CG2-CD1 4.41Å; V14-I143 HydrophobicContact CG1-CD1 3.88Å; V14-I143 HydrophobicContact CG1-CG1 4.43Å
15	L	94.5	Very high	67.2	Low	18 Å²	18	78.9 Å²	78.9	9%	0.094	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	112.9	172.4	-179.7	66	0	0	0	108.9	E91 S93 L141 E142 I143	L15-E91 HydrophobicContact CD1-CB 4.08Å; L15-E91 HydrophobicContact CD1-CG 4.49Å; L15-S93 WeakPolarHBondContact CD1-OG 3.42Å; L15-L141 PolarHBondContact N-O 2.81Å; L15-E142 HydrophobicContact CD2-CG 4.3Å; L15-E142 CarbonylContact O-C 3.55Å; L15-E142 WeakPolarHBondContact O-CA 3.37Å; L15-I143 PolarHBondContact O-N 2.86Å
16	I	94.1	Very high	69.5	Low	0 Å²	0	78.3 Å²	78.3	0%	0	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	117.1	179.2	-56.4	175.5	0	0	0	108.8	V14 M34 E91 I92 L94 I109 I123 I143 C145	V14-I16 HydrophobicContact CG1-CD1 4.41Å; V14-I16 HydrophobicContact CG1-CG1 3.91Å; I16-M34 HydrophobicContact CD1-SD 3.85Å; I16-M34 HydrophobicContact CG2-CE 3.89Å; I16-M34 HydrophobicContact CG2-SD 4.04Å; I16-E91 CarbonylContact O-C 3.58Å; I16-E91 WeakPolarHBondContact O-CA 3.36Å; I16-I92 HydrophobicContact CB-CB 4.3Å; I16-I92 PolarHBondContact N-O 3.39Å; I16-I92 PolarHBondContact O-N 3Å; I16-L94 HydrophobicContact CD1-CD2 3.99Å; I16-I109 HydrophobicContact CD1-CD1 3.7Å; I16-I109 HydrophobicContact CD1-CG2 4.34Å; I16-I123 HydrophobicContact CD1-CD1 4.13Å; I16-I123 HydrophobicContact CG1-CD1 4.44Å; I16-I123 HydrophobicContact CG2-CD1 3.81Å; I16-I143 CarbonylContact C-O 3.54Å; I16-I143 WeakPolarHBondContact CA-O 3.47Å; I16-C145 WeakPolarHBondContact CG2-SG 3.39Å
17	K	90.5	Very high	71.7	Confident	23 Å²	23	74.9 Å²	74.9	10%	0.1	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	114.2	176.3	-68.7	-179.4	168.4	175.3	0	109.6	E21 E91 E142 I143 C145	K17-E21 IonicContact NZ-OE1 2.72Å; K17-E21 PolarHBondContact NZ-OE1 3.1Å; K17-E91 HydrophobicContact CG-CG 4.33Å; K17-E142 HydrophobicContact CD-CG 4.35Å; K17-E142 WeakPolarHBondContact CD-OE1 3.15Å; K17-E142 WeakPolarHBondContact CE-OE1 3.4Å; K17-E142 IonicContact NZ-OE1 2.61Å; K17-E142 PolarHBondContact NZ-OE1 3.27Å; K17-E142 IonicContact NZ-OE2 2.72Å; K17-I143 PolarHBondContact N-O 3.41Å; K17-C145 PolarHBondContact O-N 3.32Å; K17-C145 PolarHBondContact O-SG 3.34Å
18	T	86	Confident	73.9	Confident	1 Å²	1	71 Å²	71	1%	0.006	38%	0.377	C	S	.	.			trans	-88.3	-14.3	-178.7	69.9	0	0	0	0	112.5	I32 M34 V86 G90 Y147	T18-I32 HydrophobicContact CG2-CD1 3.67Å; T18-I32 HydrophobicContact CG2-CG1 4.24Å; T18-M34 HydrophobicContact CG2-CE 3.78Å; T18-V86 HydrophobicContact CG2-CG2 4.06Å; T18-G90 PolarHBondContact N-O 2.93Å; T18-G90 PolarHBondContact OG1-O 3.35Å; T18-Y147 WeakPolarHBondContact CB-OH 3.46Å; T18-Y147 WeakPolarHBondContact O-CE2 3.35Å; T18-Y147 PolarHBondContact O-OH 3.41Å
19	R	76.8	Confident	75.9	Confident	78 Å²	78	62.2 Å²	62.2	29%	0.294	34%	0.336	S	S	.	.	S	Bend	trans	-113.4	132.3	176.7	-62	178.9	-177.1	170.1	3.3	109.7	V25	R19-V25 HydrophobicContact CG-CG2 4.39Å
20	P	65.1	Low	76.9	Confident	38 Å²	38	59.8 Å²	59.8	25%	0.247	33%	0.325	C	S	.	.			trans	-65.4	143.6	171.9	-7.6	20.5	0	0	0	110.1	T22	P20-T22 PolarHBondContact O-N 3.23Å
21	E	61.6	Low	77.2	Confident	157 Å²	157	63.5 Å²	63.5	73%	0.734	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-26.7	179.3	-65.7	-170.8	169.6	0	0	113.1	K17	K17-E21 IonicContact NZ-OE1 2.72Å; K17-E21 PolarHBondContact NZ-OE1 3.1Å
22	T	55.3	Low	77.2	Confident	146 Å²	146	59.2 Å²	59.2	90%	0.896	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.7	10.9	-174	53.5	0	0	0	0	113.8	P20	P20-T22 PolarHBondContact O-N 3.23Å
23	G	53.1	Low	77.2	Confident	37 Å²	37	61.7 Å²	61.7	38%	0.381	33%	0.325	S	S	.	.	S	Bend	trans	-115.7	161.8	-165.8	0	0	0	0	0	115.6	V25	G23-V25 PolarHBondContact O-N 3.27Å
24	N	58.6	Low	77.3	Confident	147 Å²	147	56.2 Å²	56.2	79%	0.786	30%	0.3	S	S	*	.	P	Polyproline II helix	trans	-61.1	127.5	168	-73.2	-29	0	0	0	109.6	Y26	N24-Y26 PolarHBondContact O-N 2.94Å
25	V	62.9	Low	77.3	Confident	68 Å²	68	57.2 Å²	57.2	41%	0.412	31%	0.305	S	S	.	.	P	Polyproline II helix	trans	-66	118	167.3	-178.8	0	0	0	0	107	R19 G23 T27 I29	R19-V25 HydrophobicContact CG-CG2 4.39Å; G23-V25 PolarHBondContact O-N 3.27Å; V25-T27 PolarHBondContact O-N 3.43Å; V25-I29 HydrophobicContact CG1-CD1 4.24Å; V25-I29 HydrophobicContact CG1-CG1 4.15Å
26	Y	71.6	Confident	77.5	Confident	75 Å²	75	56.4 Å²	56.4	29%	0.294	30%	0.301	S	S	.	.	P	Polyproline II helix	trans	-62.6	126.2	174.8	-56.7	-79.9	0	0	0	108.9	N24 G28 I29 Y118 Y147	N24-Y26 PolarHBondContact O-N 2.94Å; Y26-G28 PolarHBondContact O-N 3.36Å; Y26-I29 HydrophobicContact CD2-CD1 4.08Å; Y26-I29 VanDerWaalsContact O-CG1 3.25Å; Y26-I29 WeakPolarHBondContact O-CG1 3.32Å; Y26-I29 PolarHBondContact O-N 2.95Å; Y26-Y118 AromaticContact CD1-CD1 3.54Å; Y26-Y118 HydrophobicContact CD1-CD1 3.54Å; Y26-Y118 AromaticContact CD1-CD2 3.85Å; Y26-Y118 HydrophobicContact CD1-CD2 3.85Å; Y26-Y118 AromaticContact CD1-CE1 3.56Å; Y26-Y118 HydrophobicContact CD1-CE1 3.56Å; Y26-Y118 AromaticContact CD1-CE2 3.91Å; Y26-Y118 HydrophobicContact CD1-CE2 3.91Å; Y26-Y118 AromaticContact CD1-CG 3.69Å; Y26-Y118 HydrophobicContact CD1-CG 3.69Å; Y26-Y118 AromaticContact CD1-CZ 3.77Å; Y26-Y118 AromaticContact CE1-CD1 3.8Å; Y26-Y118 HydrophobicContact CE1-CD1 3.8Å; Y26-Y118 AromaticContact CE1-CE1 3.58Å; Y26-Y118 HydrophobicContact CE1-CE1 3.58Å; Y26-Y118 HydrophobicContact CE1-CG 4.41Å; Y26-Y118 HydrophobicContact CG-CD1 4.21Å; Y26-Y118 HydrophobicContact CG-CD2 4.32Å; Y26-Y118 HydrophobicContact CG-CG 4.05Å; Y26-Y147 HydrophobicContact CD2-CD1 4.27Å; Y26-Y147 AromaticContact CD2-CD2 3.52Å; Y26-Y147 HydrophobicContact CD2-CD2 3.52Å; Y26-Y147 HydrophobicContact CD2-CE2 4.05Å; Y26-Y147 AromaticContact CD2-CG 3.66Å; Y26-Y147 HydrophobicContact CD2-CG 3.66Å; Y26-Y147 AromaticContact CE2-CD2 3.31Å; Y26-Y147 HydrophobicContact CE2-CD2 3.31Å; Y26-Y147 HydrophobicContact CE2-CE2 4.1Å; Y26-Y147 AromaticContact CE2-CG 3.69Å; Y26-Y147 HydrophobicContact CE2-CG 3.69Å; Y26-Y147 HydrophobicContact CG-CG 4.47Å
27	T	72.9	Confident	77.6	Confident	112 Å²	112	58.1 Å²	58.1	69%	0.687	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	133.3	178.4	-51.4	0	0	0	0	110.4	V25 G116	V25-T27 PolarHBondContact O-N 3.43Å; T27-G116 WeakPolarHBondContact O-CA 3.03Å
28	G	77.3	Confident	78	Confident	3 Å²	3	57.8 Å²	57.8	3%	0.031	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	91.9	9.8	175.2	0	0	0	0	0	115.6	Y26 E30 E114 T115	Y26-G28 PolarHBondContact O-N 3.36Å; G28-E30 WeakPolarHBondContact CA-OE2 3.27Å; G28-E30 PolarHBondContact N-OE1 3.27Å; G28-E30 PolarHBondContact N-OE2 3.45Å; G28-E114 WeakPolarHBondContact O-CA 3.45Å; G28-T115 VanDerWaalsContact CA-OG1 3.27Å; G28-T115 WeakPolarHBondContact CA-OG1 3.3Å; G28-T115 PolarHBondContact O-N 2.88Å; G28-T115 PolarHBondContact O-OG1 3.37Å
29	I	78.1	Confident	78.4	Confident	1 Å²	1	57.7 Å²	57.7	1%	0.005	31%	0.307	C	S	.	.			trans	-104.3	9.7	173.3	77	-178.4	0	0	0	112.8	V25 Y26 Q31 I32 Y147	V25-I29 HydrophobicContact CG1-CD1 4.24Å; V25-I29 HydrophobicContact CG1-CG1 4.15Å; Y26-I29 HydrophobicContact CD2-CD1 4.08Å; Y26-I29 VanDerWaalsContact O-CG1 3.25Å; Y26-I29 WeakPolarHBondContact O-CG1 3.32Å; Y26-I29 PolarHBondContact O-N 2.95Å; I29-Q31 PolarHBondContact O-N 3.48Å; I29-I32 HydrophobicContact CB-CG2 4.24Å; I29-Y147 HydrophobicContact CB-CE1 4.38Å; I29-Y147 HydrophobicContact CD1-CE1 4.13Å; I29-Y147 HydrophobicContact CD1-CE2 4.34Å; I29-Y147 HydrophobicContact CG2-CD1 4.26Å; I29-Y147 HydrophobicContact CG2-CE1 3.82Å
30	E	75	Confident	79.2	Confident	78 Å²	78	54.2 Å²	54.2	36%	0.364	29%	0.294	S	S	.	.	S	Bend	trans	-67.9	-25	-169.9	-58.1	80.4	-177.5	0	0	112.8	G28	G28-E30 WeakPolarHBondContact CA-OE2 3.27Å; G28-E30 PolarHBondContact N-OE1 3.27Å; G28-E30 PolarHBondContact N-OE2 3.45Å
31	Q	81	Confident	80.4	Confident	144 Å²	144	58.1 Å²	58.1	67%	0.673	31%	0.309	S	S	*	.	S	Bend	trans	-136.6	81.6	-179.9	-65.5	-66.5	-76.2	0	0	109.1	I29	I29-Q31 PolarHBondContact O-N 3.48Å
32	I	87.7	Confident	81.8	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	28%	0.277	C	S	.	.			trans	-107.9	143.6	174.4	66.5	175.4	0	0	0	110.8	T18 I29 M34 V86 S112 E114 M120	T18-I32 HydrophobicContact CG2-CD1 3.67Å; T18-I32 HydrophobicContact CG2-CG1 4.24Å; I29-I32 HydrophobicContact CB-CG2 4.24Å; I32-M34 HydrophobicContact CD1-CE 3.83Å; I32-M34 HydrophobicContact CG1-CE 4.5Å; I32-V86 HydrophobicContact CG1-CB 4.32Å; I32-V86 HydrophobicContact CG1-CG1 4.43Å; I32-V86 PolarHBondContact O-N 3.21Å; I32-V86 VanDerWaalsContact O-N 3.14Å; I32-S112 WeakPolarHBondContact CA-O 3.19Å; I32-E114 HydrophobicContact CG2-CG 3.78Å; I32-M120 HydrophobicContact CD1-SD 4.02Å
33	D	91.4	Very high	83.4	Confident	52 Å²	52	46.6 Å²	46.6	28%	0.278	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	144.3	176	-73.2	-31.8	0	0	0	109.8	P83 Y84 S85 S111 S112	D33-P83 HydrophobicContact CB-CB 3.8Å; D33-Y84 CarbonylContact C-O 3.44Å; D33-Y84 WeakPolarHBondContact CA-O 3.46Å; D33-S85 VanDerWaalsContact OD1-CA 3.31Å; D33-S85 WeakPolarHBondContact OD1-CA 3.17Å; D33-S85 VanDerWaalsContact OD1-CB 3.23Å; D33-S85 WeakPolarHBondContact OD1-CB 3.29Å; D33-S85 PolarHBondContact OD1-OG 2.93Å; D33-S111 CarbonylContact O-C 3.51Å; D33-S111 VanDerWaalsContact O-CA 3.27Å; D33-S111 WeakPolarHBondContact O-CA 3.47Å; D33-S112 PolarHBondContact N-O 2.65Å; D33-S112 PolarHBondContact O-N 2.89Å; D33-S112 PolarHBondContact O-OG 2.86Å
34	M	94.3	Very high	85	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	137.1	178.2	-65.3	-171.6	-171.1	0	0	112.6	I16 T18 I32 P83 Y84 I92 I109 L110 M120	I16-M34 HydrophobicContact CD1-SD 3.85Å; I16-M34 HydrophobicContact CG2-CE 3.89Å; I16-M34 HydrophobicContact CG2-SD 4.04Å; T18-M34 HydrophobicContact CG2-CE 3.78Å; I32-M34 HydrophobicContact CD1-CE 3.83Å; I32-M34 HydrophobicContact CG1-CE 4.5Å; M34-P83 WeakPolarHBondContact O-CA 3.35Å; M34-Y84 PolarHBondContact N-O 3.28Å; M34-Y84 PolarHBondContact O-N 3.35Å; M34-I92 HydrophobicContact CB-CD1 4.22Å; M34-I92 HydrophobicContact CE-CD1 3.7Å; M34-I92 HydrophobicContact CG-CD1 3.67Å; M34-I92 HydrophobicContact SD-CD1 3.61Å; M34-I109 HydrophobicContact CB-CG2 3.94Å; M34-I109 HydrophobicContact CG-CG2 4.34Å; M34-I109 HydrophobicContact SD-CG2 3.96Å; M34-L110 WeakPolarHBondContact CA-O 3.4Å; M34-M120 HydrophobicContact CE-CE 3.47Å; M34-M120 VanDerWaalsContact CE-CE 3.47Å; M34-M120 HydrophobicContact CE-SD 3.42Å; M34-M120 WeakPolarHBondContact CE-SD 3.35Å; M34-M120 HydrophobicContact SD-CE 4.26Å
35	D	96.4	Very high	86.3	Confident	23 Å²	23	49.4 Å²	49.4	12%	0.123	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	139.9	170.5	-77.2	-33.8	0	0	0	110.7	Y37 K78 N80 I109 L110	D35-Y37 HydrophobicContact CB-CE2 3.64Å; D35-K78 WeakPolarHBondContact OD1-CE 3.39Å; D35-K78 IonicContact OD1-NZ 3.93Å; D35-K78 PolarHBondContact OD1-NZ 3.03Å; D35-K78 WeakPolarHBondContact OD2-CE 3.42Å; D35-K78 IonicContact OD2-NZ 3.03Å; D35-K78 PolarHBondContact OD2-NZ 3Å; D35-N80 PolarHBondContact OD1-ND2 2.66Å; D35-I109 WeakPolarHBondContact O-CA 3.35Å; D35-L110 PolarHBondContact N-O 3.44Å; D35-L110 PolarHBondContact O-N 2.82Å
36	V	97.7	Very high	87.1	Confident	1 Å²	1	50.3 Å²	50.3	1%	0.006	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	129.9	-178.8	-175.8	0	0	0	0	109.1	I79 N80 Y84 L94 L96 Y107 I109	V36-I79 HydrophobicContact CB-CB 4.21Å; V36-I79 HydrophobicContact CG1-CB 4.14Å; V36-I79 HydrophobicContact CG1-CG1 4.17Å; V36-I79 PolarHBondContact O-N 3.43Å; V36-N80 PolarHBondContact N-OD1 2.94Å; V36-N80 PolarHBondContact O-OD1 3.31Å; V36-Y84 HydrophobicContact CG2-CD2 4.24Å; V36-Y84 HydrophobicContact CG2-CE2 3.98Å; V36-L94 HydrophobicContact CG2-CD2 4.06Å; V36-L96 HydrophobicContact CG1-CD2 3.84Å; V36-Y107 HydrophobicContact CG1-CD1 3.85Å; V36-Y107 HydrophobicContact CG1-CG 4.35Å; V36-I109 HydrophobicContact CG1-CG1 4.36Å; V36-I109 HydrophobicContact CG2-CD1 4.43Å; V36-I109 HydrophobicContact CG2-CG1 4.18Å; V36-I109 HydrophobicContact CG2-CG2 4.34Å
37	Y	97.2	Very high	87.6	Confident	37 Å²	37	51.1 Å²	51.1	15%	0.145	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	140.6	178.1	-60.3	-90.3	0	0	0	110.4	D35 L39 V71 L76 K77 K78 Y107 L108 L110	D35-Y37 HydrophobicContact CB-CE2 3.64Å; Y37-L39 PolarHBondContact O-N 2.93Å; Y37-V71 HydrophobicContact CD1-CG1 3.61Å; Y37-V71 HydrophobicContact CD1-CG2 4.37Å; Y37-V71 HydrophobicContact CD2-CG2 4.29Å; Y37-V71 HydrophobicContact CE1-CG1 3.43Å; Y37-V71 VanDerWaalsContact CE1-CG1 3.43Å; Y37-V71 HydrophobicContact CE1-CG2 4.45Å; Y37-V71 HydrophobicContact CE2-CG2 4.38Å; Y37-V71 HydrophobicContact CG-CG1 4.34Å; Y37-V71 HydrophobicContact CG-CG2 4.3Å; Y37-L76 HydrophobicContact CD1-CB 4.39Å; Y37-K77 CarbonylContact C-O 3.6Å; Y37-K77 WeakPolarHBondContact CA-O 3.36Å; Y37-K78 HydrophobicContact CD1-CB 3.94Å; Y37-K78 HydrophobicContact CD1-CG 4.33Å; Y37-K78 HydrophobicContact CE1-CB 3.78Å; Y37-K78 HydrophobicContact CE1-CD 4.2Å; Y37-K78 HydrophobicContact CE1-CG 3.96Å; Y37-Y107 WeakPolarHBondContact O-CA 3.25Å; Y37-L108 PolarHBondContact N-O 3Å; Y37-L108 PolarHBondContact O-N 2.8Å; Y37-L110 HydrophobicContact CD2-CD1 4.29Å; Y37-L110 HydrophobicContact CD2-CG 4.36Å; Y37-L110 HydrophobicContact CE2-CB 4.37Å; Y37-L110 HydrophobicContact CE2-CD1 4.02Å; Y37-L110 HydrophobicContact CE2-CG 4.3Å
38	D	97	Very high	88	Confident	15 Å²	15	47.7 Å²	47.7	8%	0.08	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	120.4	172.2	-169.2	-9	0	0	0	110.1	T40 K77 I79 Q100	D38-T40 WeakPolarHBondContact OD1-CB 3.28Å; D38-T40 PolarHBondContact OD1-N 3.27Å; D38-T40 PolarHBondContact OD1-OG1 2.86Å; D38-K77 HydrophobicContact CB-CB 4.17Å; D38-K77 PolarHBondContact N-O 3.01Å; D38-I79 HydrophobicContact CB-CD1 3.9Å; D38-I79 HydrophobicContact CB-CG1 4.37Å; D38-Q100 WeakPolarHBondContact OD2-CG 3.49Å
39	L	95.4	Very high	88.2	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	26%	0.261	C	S	.	.			trans	-110	6.7	178.8	-162.4	69.7	0	0	0	111.5	Y37 E41 W42 R43 I57 F70 L76 A106 L108 I124 Y126	Y37-L39 PolarHBondContact O-N 2.93Å; L39-E41 PolarHBondContact O-N 3.49Å; L39-W42 HydrophobicContact CD1-CB 3.82Å; L39-W42 HydrophobicContact CD1-CD2 3.99Å; L39-W42 HydrophobicContact CD1-CE3 3.94Å; L39-W42 HydrophobicContact CD1-CG 3.97Å; L39-W42 HydrophobicContact CD2-CE3 4.01Å; L39-W42 HydrophobicContact CD2-CZ3 4.34Å; L39-W42 HydrophobicContact CG-CB 4.13Å; L39-W42 HydrophobicContact CG-CD2 4.35Å; L39-W42 HydrophobicContact CG-CE3 3.85Å; L39-W42 WeakPolarHBondContact O-CB 3.24Å; L39-W42 PolarHBondContact O-N 3.39Å; L39-W42 VanDerWaalsContact O-N 3.15Å; L39-R43 PolarHBondContact O-N 2.8Å; L39-I57 HydrophobicContact CD2-CD1 4.28Å; L39-F70 HydrophobicContact CD1-CE1 4.05Å; L39-F70 HydrophobicContact CD1-CZ 4.09Å; L39-L76 HydrophobicContact CD1-CD1 3.7Å; L39-L76 HydrophobicContact CD1-CD2 4.06Å; L39-A106 WeakPolarHBondContact CA-O 3.32Å; L39-A106 HydrophobicContact CB-CB 4.05Å; L39-A106 PolarHBondContact N-O 3.33Å; L39-L108 HydrophobicContact CD1-CB 4.5Å; L39-L108 HydrophobicContact CD2-CB 4.42Å; L39-I124 HydrophobicContact CD2-CG2 4.17Å; L39-Y126 HydrophobicContact CD2-CE2 4.19Å
40	T	93.7	Very high	88.5	Confident	4 Å²	4	54.9 Å²	54.9	3%	0.025	27%	0.273	C	S	.	.	H	α-helix	trans	-62	-46.4	-170.6	-52.2	0	0	0	0	112.6	D38 W42 R43 Q44 Q100 Q103 A105 A106	D38-T40 WeakPolarHBondContact OD1-CB 3.28Å; D38-T40 PolarHBondContact OD1-N 3.27Å; D38-T40 PolarHBondContact OD1-OG1 2.86Å; T40-W42 VanDerWaalsContact C-N 3.28Å; T40-W42 PolarHBondContact O-N 3.31Å; T40-R43 WeakPolarHBondContact O-CB 3.44Å; T40-R43 PolarHBondContact O-N 3.39Å; T40-Q44 WeakPolarHBondContact O-CG 3.39Å; T40-Q44 PolarHBondContact O-N 3.13Å; T40-Q44 VanDerWaalsContact O-N 3.15Å; T40-Q100 HydrophobicContact CG2-CB 4.23Å; T40-Q103 HydrophobicContact CG2-CB 3.99Å; T40-A105 WeakPolarHBondContact OG1-CA 3.33Å; T40-A106 PolarHBondContact N-O 2.88Å; T40-A106 PolarHBondContact OG1-N 3.31Å
41	E	89.9	Confident	89	Confident	120 Å²	120	59.1 Å²	59.1	56%	0.561	29%	0.29	S	S	*	.	H	α-helix	trans	-64.4	-35.3	177	-68.4	-172.4	-178	0	0	112.3	L39 Q44 K45	L39-E41 PolarHBondContact O-N 3.49Å; E41-Q44 PolarHBondContact O-N 3.24Å; E41-K45 WeakPolarHBondContact O-CG 3.49Å; E41-K45 PolarHBondContact O-N 3.46Å; E41-K45 VanDerWaalsContact O-N 3.08Å
42	W	90.6	Very high	89.1	Confident	17 Å²	17	53.8 Å²	53.8	6%	0.064	27%	0.271	C	S	.	.	H	α-helix	trans	-69.3	-44.1	179.1	-174.7	90.7	0	0	0	111.3	L39 T40 Q44 K45 R46 D53 Y56 I57 F70 L76	L39-W42 HydrophobicContact CD1-CB 3.82Å; L39-W42 HydrophobicContact CD1-CD2 3.99Å; L39-W42 HydrophobicContact CD1-CE3 3.94Å; L39-W42 HydrophobicContact CD1-CG 3.97Å; L39-W42 HydrophobicContact CD2-CE3 4.01Å; L39-W42 HydrophobicContact CD2-CZ3 4.34Å; L39-W42 HydrophobicContact CG-CB 4.13Å; L39-W42 HydrophobicContact CG-CD2 4.35Å; L39-W42 HydrophobicContact CG-CE3 3.85Å; L39-W42 WeakPolarHBondContact O-CB 3.24Å; L39-W42 PolarHBondContact O-N 3.39Å; L39-W42 VanDerWaalsContact O-N 3.15Å; T40-W42 VanDerWaalsContact C-N 3.28Å; T40-W42 PolarHBondContact O-N 3.31Å; W42-Q44 VanDerWaalsContact C-N 3.28Å; W42-Q44 PolarHBondContact O-N 3.15Å; W42-K45 PolarHBondContact O-N 2.94Å; W42-R46 PolarHBondContact O-N 3.23Å; W42-D53 HydrophobicContact CH2-CB 3.99Å; W42-D53 HydrophobicContact CZ3-CB 3.7Å; W42-D53 WeakPolarHBondContact CZ3-OD2 3.44Å; W42-Y56 HydrophobicContact CH2-CD1 4.23Å; W42-Y56 AromaticContact CZ2-CD1 3.9Å; W42-Y56 HydrophobicContact CZ2-CD1 3.9Å; W42-Y56 HydrophobicContact CZ2-CE1 4.03Å; W42-I57 HydrophobicContact CH2-CD1 3.87Å; W42-I57 HydrophobicContact CH2-CG1 4.05Å; W42-I57 HydrophobicContact CZ2-CD1 4.31Å; W42-I57 HydrophobicContact CZ2-CG1 4.24Å; W42-I57 HydrophobicContact CZ3-CD1 4.11Å; W42-F70 HydrophobicContact CD2-CZ 4.23Å; W42-F70 AromaticContact CE2-CZ 3.82Å; W42-F70 HydrophobicContact CG-CZ 4.39Å; W42-F70 HydrophobicContact CZ2-CE2 4.47Å; W42-F70 HydrophobicContact CZ2-CZ 4.22Å; W42-F70 AromaticContact NE1-CE2 3.65Å; W42-F70 AromaticContact NE1-CZ 3.75Å; W42-L76 HydrophobicContact CB-CD2 4.48Å
43	R	90.2	Very high	89	Confident	45 Å²	45	53.8 Å²	53.8	17%	0.17	27%	0.271	C	S	.	.	H	α-helix	trans	-50.4	-48.5	170.8	167.1	177.2	175.7	-174.8	8.4	111.4	L39 T40 R46 A47 D104 A105 A106 Y126 L127	L39-R43 PolarHBondContact O-N 2.8Å; T40-R43 WeakPolarHBondContact O-CB 3.44Å; T40-R43 PolarHBondContact O-N 3.39Å; R43-R46 PolarHBondContact O-N 3.39Å; R43-A47 PolarHBondContact O-N 2.84Å; R43-D104 PolarHBondContact NH1-O 3.13Å; R43-A105 PolarHBondContact NH1-O 3.23Å; R43-A106 HydrophobicContact CB-CB 4.03Å; R43-Y126 HydrophobicContact CB-CE1 4.02Å; R43-Y126 WeakPolarHBondContact CB-OH 3.4Å; R43-Y126 VanDerWaalsContact CD-CE1 3.49Å; R43-Y126 HydrophobicContact CG-CD1 4.16Å; R43-Y126 HydrophobicContact CG-CE1 3.49Å; R43-Y126 VanDerWaalsContact CG-CE1 3.49Å; R43-L127 PolarHBondContact NH1-O 2.94Å; R43-L127 PolarHBondContact NH2-O 3.26Å; R43-L127 VanDerWaalsContact NH2-O 3.08Å
44	Q	85.5	Confident	88.7	Confident	93 Å²	93	55 Å²	55	44%	0.435	27%	0.274	S	S	.	.	H	α-helix	trans	-66.3	-40.7	-178.2	-66.5	-63	-28.1	0	0	112.4	T40 E41 W42 R46	T40-Q44 WeakPolarHBondContact O-CG 3.39Å; T40-Q44 PolarHBondContact O-N 3.13Å; T40-Q44 VanDerWaalsContact O-N 3.15Å; E41-Q44 PolarHBondContact O-N 3.24Å; W42-Q44 VanDerWaalsContact C-N 3.28Å; W42-Q44 PolarHBondContact O-N 3.15Å; Q44-R46 VanDerWaalsContact C-N 3.32Å; Q44-R46 PolarHBondContact O-N 3.39Å
45	K	86.2	Confident	88.3	Confident	149 Å²	149	60.4 Å²	60.4	65%	0.648	30%	0.299	S	S	*	.	H	α-helix	trans	-64.1	-36.9	177.6	-73.8	171.3	-172.4	167.9	0	112.5	E41 W42	E41-K45 WeakPolarHBondContact O-CG 3.49Å; E41-K45 PolarHBondContact O-N 3.46Å; E41-K45 VanDerWaalsContact O-N 3.08Å; W42-K45 PolarHBondContact O-N 2.94Å
46	R	81.2	Confident	87.9	Confident	87 Å²	87	63.7 Å²	63.7	33%	0.328	31%	0.311	S	S	.	.	H	α-helix	trans	-83	-32.3	-176.8	-150.5	176.1	-178.4	-132.7	-4.9	113	W42 R43 Q44 S48 A52 D53	W42-R46 PolarHBondContact O-N 3.23Å; R43-R46 PolarHBondContact O-N 3.39Å; Q44-R46 VanDerWaalsContact C-N 3.32Å; Q44-R46 PolarHBondContact O-N 3.39Å; R46-S48 WeakPolarHBondContact CD-OG 3.41Å; R46-S48 WeakPolarHBondContact CG-OG 3.38Å; R46-S48 PolarHBondContact O-N 2.8Å; R46-A52 PolarHBondContact NH1-O 3.27Å; R46-D53 WeakPolarHBondContact CD-OD1 3.41Å; R46-D53 IonicContact CZ-OD1 2.75Å; R46-D53 IonicContact NE-OD1 2.73Å; R46-D53 VanDerWaalsContact NH1-CA 3.25Å; R46-D53 IonicContact NH1-OD1 3.15Å; R46-D53 PolarHBondContact NH1-OD1 2.86Å
47	A	80.7	Confident	87.4	Confident	92 Å²	92	63.7 Å²	63.7	76%	0.76	31%	0.31	S	S	*	.			trans	53.9	32.3	-179.9	0	0	0	0	0	114	R43	R43-A47 PolarHBondContact O-N 2.84Å
48	S	80.6	Confident	86.8	Confident	40 Å²	40	63.5 Å²	63.5	28%	0.28	31%	0.311	S	S	.	.			trans	-110.1	174.2	176.1	37.8	0	0	0	0	111.5	R46 D53	R46-S48 WeakPolarHBondContact CD-OG 3.41Å; R46-S48 WeakPolarHBondContact CG-OG 3.38Å; R46-S48 PolarHBondContact O-N 2.8Å; S48-D53 WeakPolarHBondContact CB-OD1 3.17Å; S48-D53 PolarHBondContact OG-OD1 2.84Å; S48-D53 PolarHBondContact OG-OD2 2.68Å
49	N	83.2	Confident	86.2	Confident	100 Å²	100	68.2 Å²	68.2	54%	0.535	34%	0.336	S	S	.	.			trans	-88.8	162.2	179.8	66	54	0	0	0	112.2	K51 A52 D53	N49-K51 VanDerWaalsContact C-N 3.25Å; N49-K51 PolarHBondContact O-N 2.87Å; N49-K51 VanDerWaalsContact O-N 3.17Å; N49-K51 PolarHBondContact OD1-N 3.02Å; N49-A52 PolarHBondContact O-N 2.75Å; N49-A52 PolarHBondContact OD1-N 2.61Å; N49-D53 WeakPolarHBondContact O-CB 3.4Å; N49-D53 VanDerWaalsContact O-CG 3.28Å; N49-D53 PolarHBondContact O-N 2.75Å
50	E	84.2	Confident	85.7	Confident	56 Å²	56	70.5 Å²	70.5	26%	0.262	35%	0.35	S	S	.	.	H	α-helix	trans	-52.2	-39.6	-177.9	-176.5	173.1	-162.1	0	0	113.7	D53 K54 I124 I125 Y126 Q129	E50-D53 PolarHBondContact O-N 3.38Å; E50-K54 VanDerWaalsContact O-CB 3.31Å; E50-K54 WeakPolarHBondContact O-CB 3.32Å; E50-K54 PolarHBondContact O-N 3.46Å; E50-I124 HydrophobicContact CG-CG2 4.31Å; E50-I125 WeakPolarHBondContact OE1-CA 3.45Å; E50-Y126 HydrophobicContact CB-CD1 3.93Å; E50-Y126 HydrophobicContact CB-CD2 4.02Å; E50-Y126 HydrophobicContact CB-CG 3.68Å; E50-Y126 HydrophobicContact CG-CD2 3.87Å; E50-Y126 HydrophobicContact CG-CG 3.96Å; E50-Y126 PolarHBondContact OE1-N 3.02Å; E50-Q129 PolarHBondContact OE2-NE2 2.83Å
51	K	85.3	Confident	85.4	Confident	166 Å²	166	72 Å²	72	72%	0.722	36%	0.356	S	S	*	.	H	α-helix	trans	-65.8	-50.4	-179.2	-175.9	-178.2	176.1	-175.5	0	111.2	N49 D53 K54 E55	N49-K51 VanDerWaalsContact C-N 3.25Å; N49-K51 PolarHBondContact O-N 2.87Å; N49-K51 VanDerWaalsContact O-N 3.17Å; N49-K51 PolarHBondContact OD1-N 3.02Å; K51-D53 PolarHBondContact O-N 2.93Å; K51-K54 PolarHBondContact O-N 3.04Å; K51-E55 PolarHBondContact O-N 2.84Å
52	A	82.5	Confident	85	Confident	33 Å²	33	69.2 Å²	69.2	27%	0.273	35%	0.348	S	S	.	.	H	α-helix	trans	-64.7	-29.9	178.3	0	0	0	0	0	112.4	R46 N49 Y56	R46-A52 PolarHBondContact NH1-O 3.27Å; N49-A52 PolarHBondContact O-N 2.75Å; N49-A52 PolarHBondContact OD1-N 2.61Å; A52-Y56 WeakPolarHBondContact O-CB 3.28Å; A52-Y56 PolarHBondContact O-N 3.14Å
53	D	85.7	Confident	84.7	Confident	0 Å²	0	71 Å²	71	0%	0	36%	0.361	C	S	.	.	H	α-helix	trans	-74.7	-41.5	179	-73	0.5	0	0	0	112.5	W42 R46 S48 N49 E50 K51 I57 Y126	W42-D53 HydrophobicContact CH2-CB 3.99Å; W42-D53 HydrophobicContact CZ3-CB 3.7Å; W42-D53 WeakPolarHBondContact CZ3-OD2 3.44Å; R46-D53 WeakPolarHBondContact CD-OD1 3.41Å; R46-D53 IonicContact CZ-OD1 2.75Å; R46-D53 IonicContact NE-OD1 2.73Å; R46-D53 VanDerWaalsContact NH1-CA 3.25Å; R46-D53 IonicContact NH1-OD1 3.15Å; R46-D53 PolarHBondContact NH1-OD1 2.86Å; S48-D53 WeakPolarHBondContact CB-OD1 3.17Å; S48-D53 PolarHBondContact OG-OD1 2.84Å; S48-D53 PolarHBondContact OG-OD2 2.68Å; N49-D53 WeakPolarHBondContact O-CB 3.4Å; N49-D53 VanDerWaalsContact O-CG 3.28Å; N49-D53 PolarHBondContact O-N 2.75Å; E50-D53 PolarHBondContact O-N 3.38Å; K51-D53 PolarHBondContact O-N 2.93Å; D53-I57 WeakPolarHBondContact O-CB 3.35Å; D53-I57 WeakPolarHBondContact O-CG1 3.48Å; D53-I57 PolarHBondContact O-N 3.12Å; D53-Y126 VanDerWaalsContact OD2-CZ 3.31Å; D53-Y126 PolarHBondContact OD2-OH 3.05Å
54	K	86.3	Confident	84.4	Confident	76 Å²	76	71.1 Å²	71.1	33%	0.33	36%	0.363	S	S	.	.	H	α-helix	trans	-61.1	-48.7	170.5	-177.4	175.1	-176.6	172.3	0	112.3	E50 K51 I57 M58 I124	E50-K54 VanDerWaalsContact O-CB 3.31Å; E50-K54 WeakPolarHBondContact O-CB 3.32Å; E50-K54 PolarHBondContact O-N 3.46Å; K51-K54 PolarHBondContact O-N 3.04Å; K54-I57 PolarHBondContact O-N 3.47Å; K54-M58 HydrophobicContact CG-SD 4.11Å; K54-M58 WeakPolarHBondContact O-CB 2.98Å; K54-M58 VanDerWaalsContact O-CG 3.24Å; K54-M58 WeakPolarHBondContact O-CG 3.38Å; K54-M58 PolarHBondContact O-N 2.81Å; K54-I124 VanDerWaalsContact CA-CD1 3.5Å; K54-I124 HydrophobicContact CB-CD1 3.91Å; K54-I124 HydrophobicContact CG-CD1 4.21Å
55	E	85.4	Confident	84.4	Confident	115 Å²	115	72.8 Å²	72.8	54%	0.537	37%	0.37	S	S	.	.	H	α-helix	trans	-58.6	-50.3	179.3	-172.4	165.6	-151.4	0	0	111.3	K51 I57 M58 D59	K51-E55 PolarHBondContact O-N 2.84Å; E55-I57 PolarHBondContact O-N 2.99Å; E55-M58 PolarHBondContact O-N 2.99Å; E55-M58 VanDerWaalsContact O-N 3.14Å; E55-D59 PolarHBondContact O-N 3.2Å
56	Y	88.5	Confident	84.5	Confident	92 Å²	92	72.2 Å²	72.2	36%	0.361	36%	0.364	S	S	.	.	H	α-helix	trans	-59.6	-44.7	178	176.4	-97.4	0	0	0	114.4	W42 A52 M58 D59 T60	W42-Y56 HydrophobicContact CH2-CD1 4.23Å; W42-Y56 AromaticContact CZ2-CD1 3.9Å; W42-Y56 HydrophobicContact CZ2-CD1 3.9Å; W42-Y56 HydrophobicContact CZ2-CE1 4.03Å; A52-Y56 WeakPolarHBondContact O-CB 3.28Å; A52-Y56 PolarHBondContact O-N 3.14Å; Y56-M58 VanDerWaalsContact C-N 3.28Å; Y56-M58 PolarHBondContact O-N 3.14Å; Y56-D59 PolarHBondContact O-N 3Å; Y56-T60 WeakPolarHBondContact CE2-OG1 3.45Å; Y56-T60 WeakPolarHBondContact O-CB 3.41Å; Y56-T60 PolarHBondContact O-N 3.33Å; Y56-T60 PolarHBondContact O-OG1 2.8Å
57	I	86.9	Confident	84.9	Confident	0 Å²	0	68.8 Å²	68.8	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-63	-41.2	178.4	-73.4	168.5	0	0	0	109.6	L39 W42 D53 K54 E55 Y61 L67 F70 I124	L39-I57 HydrophobicContact CD2-CD1 4.28Å; W42-I57 HydrophobicContact CH2-CD1 3.87Å; W42-I57 HydrophobicContact CH2-CG1 4.05Å; W42-I57 HydrophobicContact CZ2-CD1 4.31Å; W42-I57 HydrophobicContact CZ2-CG1 4.24Å; W42-I57 HydrophobicContact CZ3-CD1 4.11Å; D53-I57 WeakPolarHBondContact O-CB 3.35Å; D53-I57 WeakPolarHBondContact O-CG1 3.48Å; D53-I57 PolarHBondContact O-N 3.12Å; K54-I57 PolarHBondContact O-N 3.47Å; E55-I57 PolarHBondContact O-N 2.99Å; I57-Y61 WeakPolarHBondContact O-CA 3.38Å; I57-Y61 WeakPolarHBondContact O-CB 3.32Å; I57-Y61 PolarHBondContact O-N 2.7Å; I57-L67 HydrophobicContact CG2-CD2 3.59Å; I57-F70 HydrophobicContact CD1-CE1 3.83Å; I57-F70 HydrophobicContact CD1-CZ 3.92Å; I57-F70 HydrophobicContact CG1-CE1 4.11Å; I57-F70 HydrophobicContact CG1-CZ 4.04Å; I57-I124 HydrophobicContact CB-CD1 4.3Å; I57-I124 HydrophobicContact CD1-CD1 3.62Å; I57-I124 HydrophobicContact CD1-CG1 4.48Å
58	M	84.6	Confident	85.3	Confident	34 Å²	34	66.7 Å²	66.7	17%	0.167	34%	0.335	C	S	.	.	H	α-helix	trans	-67.3	-37.1	179.2	-72.6	-170	66.6	0	0	113.2	K54 E55 Y56 P62 V121 P122	K54-M58 HydrophobicContact CG-SD 4.11Å; K54-M58 WeakPolarHBondContact O-CB 2.98Å; K54-M58 VanDerWaalsContact O-CG 3.24Å; K54-M58 WeakPolarHBondContact O-CG 3.38Å; K54-M58 PolarHBondContact O-N 2.81Å; E55-M58 PolarHBondContact O-N 2.99Å; E55-M58 VanDerWaalsContact O-N 3.14Å; Y56-M58 VanDerWaalsContact C-N 3.28Å; Y56-M58 PolarHBondContact O-N 3.14Å; M58-P62 WeakPolarHBondContact O-CA 3.19Å; M58-V121 HydrophobicContact CE-CG1 3.54Å; M58-V121 HydrophobicContact CE-CG2 4.29Å; M58-V121 HydrophobicContact SD-CG1 3.64Å; M58-P122 HydrophobicContact CG-CG 4.3Å
59	D	84.3	Confident	85.7	Confident	113 Å²	113	68.2 Å²	68.2	60%	0.604	34%	0.342	S	S	*	.	H	α-helix	trans	-78.7	-40.7	-179.4	-69.7	-13.3	0	0	0	112	E55 Y56	E55-D59 PolarHBondContact O-N 3.2Å; Y56-D59 PolarHBondContact O-N 3Å
60	T	85.3	Confident	86.1	Confident	48 Å²	48	63.4 Å²	63.4	29%	0.294	32%	0.317	S	S	.	.	H	α-helix	trans	-75.8	-38.1	-178.6	-50.2	0	0	0	0	111.4	Y56 P62	Y56-T60 WeakPolarHBondContact CE2-OG1 3.45Å; Y56-T60 WeakPolarHBondContact O-CB 3.41Å; Y56-T60 PolarHBondContact O-N 3.33Å; Y56-T60 PolarHBondContact O-OG1 2.8Å; T60-P62 VanDerWaalsContact O-CD 3.28Å; T60-P62 WeakPolarHBondContact O-CD 3.35Å
61	Y	86.5	Confident	86.6	Confident	37 Å²	37	61.5 Å²	61.5	15%	0.145	31%	0.309	C	S	.	.			trans	-123.2	67	-175.6	-50.9	-78.8	0	0	0	111.8	I57 T63 R66 L67 F70	I57-Y61 WeakPolarHBondContact O-CA 3.38Å; I57-Y61 WeakPolarHBondContact O-CB 3.32Å; I57-Y61 PolarHBondContact O-N 2.7Å; Y61-T63 VanDerWaalsContact C-N 3.28Å; Y61-T63 PolarHBondContact O-N 2.98Å; Y61-R66 HydrophobicContact CD1-CB 4.12Å; Y61-R66 VanDerWaalsContact CD1-O 3.28Å; Y61-R66 WeakPolarHBondContact CD1-O 3.43Å; Y61-L67 WeakPolarHBondContact O-CG 3.14Å; Y61-F70 HydrophobicContact CD1-CB 3.8Å; Y61-F70 HydrophobicContact CD2-CB 3.88Å; Y61-F70 AromaticContact CD2-CD2 3.93Å; Y61-F70 HydrophobicContact CD2-CD2 3.93Å; Y61-F70 AromaticContact CD2-CG 3.91Å; Y61-F70 HydrophobicContact CD2-CG 3.91Å; Y61-F70 HydrophobicContact CE1-CB 3.8Å; Y61-F70 HydrophobicContact CE1-CD2 4.3Å; Y61-F70 HydrophobicContact CE1-CG 4.47Å; Y61-F70 HydrophobicContact CE2-CB 3.89Å; Y61-F70 AromaticContact CE2-CD2 3.25Å; Y61-F70 HydrophobicContact CE2-CD2 3.25Å; Y61-F70 AromaticContact CE2-CE2 3.88Å; Y61-F70 HydrophobicContact CE2-CE2 3.88Å; Y61-F70 AromaticContact CE2-CG 3.72Å; Y61-F70 HydrophobicContact CE2-CG 3.72Å; Y61-F70 HydrophobicContact CG-CB 3.84Å; Y61-F70 HydrophobicContact CG-CG 4.38Å; Y61-F70 AromaticContact CZ-CD2 3.47Å; Y61-F70 VanDerWaalsContact CZ-CD2 3.47Å
62	P	81.4	Confident	86.9	Confident	60 Å²	60	60.7 Å²	60.7	39%	0.39	31%	0.308	S	S	.	.			trans	-74	-11.1	-170.6	28.4	-37.6	0	0	0	115.2	M58 T60	M58-P62 WeakPolarHBondContact O-CA 3.19Å; T60-P62 VanDerWaalsContact O-CD 3.28Å; T60-P62 WeakPolarHBondContact O-CD 3.35Å
63	T	84.5	Confident	87.2	Confident	55 Å²	55	63.2 Å²	63.2	34%	0.337	32%	0.32	S	S	.	.	S	Bend	trans	-119.1	159.9	-179.4	82.9	0	0	0	0	111.5	Y61 E65 R66 L67	Y61-T63 VanDerWaalsContact C-N 3.28Å; Y61-T63 PolarHBondContact O-N 2.98Å; T63-E65 VanDerWaalsContact C-N 3.3Å; T63-E65 VanDerWaalsContact CB-OE2 3.32Å; T63-E65 WeakPolarHBondContact CB-OE2 3.4Å; T63-E65 PolarHBondContact O-N 2.89Å; T63-E65 PolarHBondContact OG1-OE2 2.8Å; T63-R66 PolarHBondContact O-N 3.14Å; T63-R66 VanDerWaalsContact O-N 3.14Å; T63-R66 PolarHBondContact OG1-N 2.86Å; T63-L67 PolarHBondContact O-N 2.87Å
64	K	84.2	Confident	87.5	Confident	48 Å²	48	66.2 Å²	66.2	21%	0.209	33%	0.334	C	S	.	.	H	α-helix	trans	-60.7	-38.4	178.8	-72.6	-166.9	170.6	-135.9	0	112.8	R66 L67 A68 S111 E114	K64-R66 VanDerWaalsContact C-N 3.31Å; K64-R66 PolarHBondContact O-N 3.33Å; K64-L67 PolarHBondContact O-N 2.72Å; K64-A68 WeakPolarHBondContact O-CB 3.16Å; K64-A68 PolarHBondContact O-N 3.45Å; K64-S111 PolarHBondContact NZ-O 2.77Å; K64-S111 PolarHBondContact NZ-OG 3.19Å; K64-E114 IonicContact NZ-OE1 2.59Å; K64-E114 PolarHBondContact NZ-OE1 3.2Å; K64-E114 IonicContact NZ-OE2 3.23Å; K64-E114 PolarHBondContact NZ-OE2 3.14Å
65	E	84.8	Confident	87.8	Confident	127 Å²	127	70.7 Å²	70.7	59%	0.593	36%	0.356	S	S	*	.	H	α-helix	trans	-64.5	-39	177.1	-57.3	73.5	-158.4	0	0	110.9	T63 A68 T69	T63-E65 VanDerWaalsContact C-N 3.3Å; T63-E65 VanDerWaalsContact CB-OE2 3.32Å; T63-E65 WeakPolarHBondContact CB-OE2 3.4Å; T63-E65 PolarHBondContact O-N 2.89Å; T63-E65 PolarHBondContact OG1-OE2 2.8Å; E65-A68 PolarHBondContact O-N 2.81Å; E65-T69 PolarHBondContact O-N 2.72Å; E65-T69 PolarHBondContact O-OG1 3.21Å
66	R	87.7	Confident	88.2	Confident	138 Å²	138	66.2 Å²	66.2	52%	0.521	34%	0.335	S	S	.	.	H	α-helix	trans	-70.2	-38.7	175.2	-75	-169.7	174.2	-166.3	4.2	112.1	Y61 T63 K64 A68 T69 F70	Y61-R66 HydrophobicContact CD1-CB 4.12Å; Y61-R66 VanDerWaalsContact CD1-O 3.28Å; Y61-R66 WeakPolarHBondContact CD1-O 3.43Å; T63-R66 PolarHBondContact O-N 3.14Å; T63-R66 VanDerWaalsContact O-N 3.14Å; T63-R66 PolarHBondContact OG1-N 2.86Å; K64-R66 VanDerWaalsContact C-N 3.31Å; K64-R66 PolarHBondContact O-N 3.33Å; R66-A68 VanDerWaalsContact C-N 3.35Å; R66-T69 CarbonylContact O-C 3.5Å; R66-T69 WeakPolarHBondContact O-CA 3.26Å; R66-T69 WeakPolarHBondContact O-CB 3.43Å; R66-T69 PolarHBondContact O-N 2.87Å; R66-T69 VanDerWaalsContact O-N 3.13Å; R66-F70 PolarHBondContact O-N 2.87Å
67	L	90.5	Very high	88.4	Confident	15 Å²	15	68 Å²	68	8%	0.079	35%	0.345	C	S	.	.	H	α-helix	trans	-64.3	-39.1	173.4	-73	167	0	0	0	112	I57 Y61 T63 K64 T69 F70 V71 L110 P122	I57-L67 HydrophobicContact CG2-CD2 3.59Å; Y61-L67 WeakPolarHBondContact O-CG 3.14Å; T63-L67 PolarHBondContact O-N 2.87Å; K64-L67 PolarHBondContact O-N 2.72Å; L67-T69 VanDerWaalsContact C-N 3.27Å; L67-T69 PolarHBondContact O-N 2.86Å; L67-F70 WeakPolarHBondContact O-CB 3.38Å; L67-F70 PolarHBondContact O-N 3.2Å; L67-V71 WeakPolarHBondContact O-CG2 3.2Å; L67-V71 PolarHBondContact O-N 2.78Å; L67-L110 HydrophobicContact CB-CD1 4.34Å; L67-L110 HydrophobicContact CB-CD2 4.39Å; L67-L110 HydrophobicContact CD1-CD2 4.17Å; L67-P122 HydrophobicContact CD1-CB 4.32Å; L67-P122 HydrophobicContact CD1-CG 4.03Å; L67-P122 HydrophobicContact CD2-CG 4.45Å
68	A	89.6	Confident	88.7	Confident	47 Å²	47	71.9 Å²	71.9	39%	0.388	36%	0.362	S	S	.	.	H	α-helix	trans	-62.6	-36.9	172	0	0	0	0	0	111.7	K64 E65 R66 V71 Q72	K64-A68 WeakPolarHBondContact O-CB 3.16Å; K64-A68 PolarHBondContact O-N 3.45Å; E65-A68 PolarHBondContact O-N 2.81Å; R66-A68 VanDerWaalsContact C-N 3.35Å; A68-V71 PolarHBondContact O-N 3.41Å; A68-Q72 WeakPolarHBondContact O-CG 3.47Å; A68-Q72 PolarHBondContact O-N 2.91Å; A68-Q72 VanDerWaalsContact O-N 3.12Å
69	T	87.6	Confident	89.1	Confident	72 Å²	72	72.7 Å²	72.7	44%	0.442	37%	0.366	S	S	.	.	H	α-helix	trans	-66.5	-38.7	173.7	-52.8	0	0	0	0	111.5	E65 R66 L67 Q72 T73	E65-T69 PolarHBondContact O-N 2.72Å; E65-T69 PolarHBondContact O-OG1 3.21Å; R66-T69 CarbonylContact O-C 3.5Å; R66-T69 WeakPolarHBondContact O-CA 3.26Å; R66-T69 WeakPolarHBondContact O-CB 3.43Å; R66-T69 PolarHBondContact O-N 2.87Å; R66-T69 VanDerWaalsContact O-N 3.13Å; L67-T69 VanDerWaalsContact C-N 3.27Å; L67-T69 PolarHBondContact O-N 2.86Å; T69-Q72 PolarHBondContact O-N 2.93Å; T69-T73 VanDerWaalsContact O-CB 3.31Å; T69-T73 WeakPolarHBondContact O-CB 3.33Å; T69-T73 PolarHBondContact O-N 3.37Å; T69-T73 PolarHBondContact O-OG1 2.84Å
70	F	93.3	Very high	89.4	Confident	0 Å²	0	67.8 Å²	67.8	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-59.1	-50.3	174	174	-118.5	0	0	0	111.5	L39 W42 I57 Y61 R66 L67 Q72 T73 E74 L76 L108	L39-F70 HydrophobicContact CD1-CE1 4.05Å; L39-F70 HydrophobicContact CD1-CZ 4.09Å; W42-F70 HydrophobicContact CD2-CZ 4.23Å; W42-F70 AromaticContact CE2-CZ 3.82Å; W42-F70 HydrophobicContact CG-CZ 4.39Å; W42-F70 HydrophobicContact CZ2-CE2 4.47Å; W42-F70 HydrophobicContact CZ2-CZ 4.22Å; W42-F70 AromaticContact NE1-CE2 3.65Å; W42-F70 AromaticContact NE1-CZ 3.75Å; I57-F70 HydrophobicContact CD1-CE1 3.83Å; I57-F70 HydrophobicContact CD1-CZ 3.92Å; I57-F70 HydrophobicContact CG1-CE1 4.11Å; I57-F70 HydrophobicContact CG1-CZ 4.04Å; Y61-F70 HydrophobicContact CD1-CB 3.8Å; Y61-F70 HydrophobicContact CD2-CB 3.88Å; Y61-F70 AromaticContact CD2-CD2 3.93Å; Y61-F70 HydrophobicContact CD2-CD2 3.93Å; Y61-F70 AromaticContact CD2-CG 3.91Å; Y61-F70 HydrophobicContact CD2-CG 3.91Å; Y61-F70 HydrophobicContact CE1-CB 3.8Å; Y61-F70 HydrophobicContact CE1-CD2 4.3Å; Y61-F70 HydrophobicContact CE1-CG 4.47Å; Y61-F70 HydrophobicContact CE2-CB 3.89Å; Y61-F70 AromaticContact CE2-CD2 3.25Å; Y61-F70 HydrophobicContact CE2-CD2 3.25Å; Y61-F70 AromaticContact CE2-CE2 3.88Å; Y61-F70 HydrophobicContact CE2-CE2 3.88Å; Y61-F70 AromaticContact CE2-CG 3.72Å; Y61-F70 HydrophobicContact CE2-CG 3.72Å; Y61-F70 HydrophobicContact CG-CB 3.84Å; Y61-F70 HydrophobicContact CG-CG 4.38Å; Y61-F70 AromaticContact CZ-CD2 3.47Å; Y61-F70 VanDerWaalsContact CZ-CD2 3.47Å; R66-F70 PolarHBondContact O-N 2.87Å; L67-F70 WeakPolarHBondContact O-CB 3.38Å; L67-F70 PolarHBondContact O-N 3.2Å; F70-Q72 VanDerWaalsContact C-N 3.27Å; F70-Q72 PolarHBondContact O-N 3.38Å; F70-T73 PolarHBondContact O-N 3.03Å; F70-E74 HydrophobicContact CD2-CG 3.64Å; F70-E74 HydrophobicContact CE2-CB 4.41Å; F70-E74 HydrophobicContact CE2-CG 3.32Å; F70-E74 HydrophobicContact CZ-CG 4.01Å; F70-E74 PolarHBondContact O-N 2.84Å; F70-L76 HydrophobicContact CD1-CD1 4.25Å; F70-L76 HydrophobicContact CE1-CD1 3.87Å; F70-L76 HydrophobicContact CZ-CD1 4.49Å; F70-L108 HydrophobicContact CD1-CD2 3.98Å; F70-L108 HydrophobicContact CE1-CD2 3.93Å
71	V	94.2	Very high	89.2	Confident	16 Å²	16	75.3 Å²	75.3	10%	0.097	37%	0.372	C	S	.	.	H	α-helix	trans	-54.8	-43.6	176	169.4	0	0	0	0	111.5	Y37 L67 A68 Q75 L76 L108 L110	Y37-V71 HydrophobicContact CD1-CG1 3.61Å; Y37-V71 HydrophobicContact CD1-CG2 4.37Å; Y37-V71 HydrophobicContact CD2-CG2 4.29Å; Y37-V71 HydrophobicContact CE1-CG1 3.43Å; Y37-V71 VanDerWaalsContact CE1-CG1 3.43Å; Y37-V71 HydrophobicContact CE1-CG2 4.45Å; Y37-V71 HydrophobicContact CE2-CG2 4.38Å; Y37-V71 HydrophobicContact CG-CG1 4.34Å; Y37-V71 HydrophobicContact CG-CG2 4.3Å; L67-V71 WeakPolarHBondContact O-CG2 3.2Å; L67-V71 PolarHBondContact O-N 2.78Å; A68-V71 PolarHBondContact O-N 3.41Å; V71-Q75 WeakPolarHBondContact O-CA 3.08Å; V71-Q75 PolarHBondContact O-N 3.04Å; V71-Q75 VanDerWaalsContact O-N 3.11Å; V71-L76 HydrophobicContact CG1-CB 4.38Å; V71-L76 HydrophobicContact CG2-CD1 4.29Å; V71-L76 PolarHBondContact O-N 2.98Å; V71-L108 HydrophobicContact CG2-CD2 4.21Å; V71-L110 HydrophobicContact CG2-CD1 3.65Å
72	Q	91.2	Very high	89.3	Confident	149 Å²	149	76.8 Å²	76.8	70%	0.696	39%	0.392	S	S	*	.	H	α-helix	trans	-70.2	-42.6	178.4	-71.9	-179.9	11.4	0	0	113	A68 T69 F70 Q75	A68-Q72 WeakPolarHBondContact O-CG 3.47Å; A68-Q72 PolarHBondContact O-N 2.91Å; A68-Q72 VanDerWaalsContact O-N 3.12Å; T69-Q72 PolarHBondContact O-N 2.93Å; F70-Q72 VanDerWaalsContact C-N 3.27Å; F70-Q72 PolarHBondContact O-N 3.38Å; Q72-Q75 PolarHBondContact O-N 2.86Å
73	T	89.8	Confident	89.7	Confident	86 Å²	86	76.6 Å²	76.6	53%	0.528	39%	0.391	S	S	.	.	H	α-helix	trans	-68.1	-44.9	-175.8	-56.9	0	0	0	0	111.2	T69 F70 Q75	T69-T73 VanDerWaalsContact O-CB 3.31Å; T69-T73 WeakPolarHBondContact O-CB 3.33Å; T69-T73 PolarHBondContact O-N 3.37Å; T69-T73 PolarHBondContact O-OG1 2.84Å; F70-T73 PolarHBondContact O-N 3.03Å; T73-Q75 PolarHBondContact O-N 3.41Å
74	E	90.9	Very high	90	Very high	62 Å²	62	77.4 Å²	77.4	29%	0.29	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-3.4	176.5	-62.4	-58.3	156.4	0	0	113	F70 L76	F70-E74 HydrophobicContact CD2-CG 3.64Å; F70-E74 HydrophobicContact CE2-CB 4.41Å; F70-E74 HydrophobicContact CE2-CG 3.32Å; F70-E74 HydrophobicContact CZ-CG 4.01Å; F70-E74 PolarHBondContact O-N 2.84Å; E74-L76 VanDerWaalsContact C-N 3.25Å; E74-L76 HydrophobicContact CB-CD2 3.61Å; E74-L76 HydrophobicContact CB-CG 3.91Å; E74-L76 PolarHBondContact O-N 2.84Å
75	Q	92.3	Very high	90.2	Very high	171 Å²	171	78.8 Å²	78.8	80%	0.799	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.2	40.9	-179.6	-60.2	170.9	82.6	0	0	112.5	V71 Q72 T73 K77	V71-Q75 WeakPolarHBondContact O-CA 3.08Å; V71-Q75 PolarHBondContact O-N 3.04Å; V71-Q75 VanDerWaalsContact O-N 3.11Å; Q72-Q75 PolarHBondContact O-N 2.86Å; T73-Q75 PolarHBondContact O-N 3.41Å; Q75-K77 PolarHBondContact O-N 3.24Å
76	L	94.7	Very high	90.4	Very high	20 Å²	20	73.3 Å²	73.3	11%	0.105	38%	0.379	C	S	.	.	P	Polyproline II helix	trans	-63.8	129.1	-176	-55	-175.3	0	0	0	110.6	Y37 L39 W42 F70 V71 E74 K78 L108	Y37-L76 HydrophobicContact CD1-CB 4.39Å; L39-L76 HydrophobicContact CD1-CD1 3.7Å; L39-L76 HydrophobicContact CD1-CD2 4.06Å; W42-L76 HydrophobicContact CB-CD2 4.48Å; F70-L76 HydrophobicContact CD1-CD1 4.25Å; F70-L76 HydrophobicContact CE1-CD1 3.87Å; F70-L76 HydrophobicContact CZ-CD1 4.49Å; V71-L76 HydrophobicContact CG1-CB 4.38Å; V71-L76 HydrophobicContact CG2-CD1 4.29Å; V71-L76 PolarHBondContact O-N 2.98Å; E74-L76 VanDerWaalsContact C-N 3.25Å; E74-L76 HydrophobicContact CB-CD2 3.61Å; E74-L76 HydrophobicContact CB-CG 3.91Å; E74-L76 PolarHBondContact O-N 2.84Å; L76-K78 PolarHBondContact O-N 2.93Å; L76-L108 HydrophobicContact CD1-CD2 3.94Å
77	K	91.8	Very high	90.2	Very high	131 Å²	131	69.9 Å²	69.9	57%	0.57	37%	0.371	S	S	*	.	P	Polyproline II helix	trans	-73.6	120.4	-179.4	179.2	-174.1	170.8	-164.8	0	109.8	Y37 D38 Q75 I79	Y37-K77 CarbonylContact C-O 3.6Å; Y37-K77 WeakPolarHBondContact CA-O 3.36Å; D38-K77 HydrophobicContact CB-CB 4.17Å; D38-K77 PolarHBondContact N-O 3.01Å; Q75-K77 PolarHBondContact O-N 3.24Å; K77-I79 PolarHBondContact O-N 2.88Å
78	K	94.3	Very high	89.6	Confident	80 Å²	80	73.9 Å²	73.9	35%	0.348	41%	0.406	S	S	.	.	B	Isolated β-bridge	trans	-68.4	128.8	171.1	-169.9	172.7	173.1	168.8	0	110.3	D35 Y37 L76 N80	D35-K78 WeakPolarHBondContact OD1-CE 3.39Å; D35-K78 IonicContact OD1-NZ 3.93Å; D35-K78 PolarHBondContact OD1-NZ 3.03Å; D35-K78 WeakPolarHBondContact OD2-CE 3.42Å; D35-K78 IonicContact OD2-NZ 3.03Å; D35-K78 PolarHBondContact OD2-NZ 3Å; Y37-K78 HydrophobicContact CD1-CB 3.94Å; Y37-K78 HydrophobicContact CD1-CG 4.33Å; Y37-K78 HydrophobicContact CE1-CB 3.78Å; Y37-K78 HydrophobicContact CE1-CD 4.2Å; Y37-K78 HydrophobicContact CE1-CG 3.96Å; L76-K78 PolarHBondContact O-N 2.93Å; K78-N80 VanDerWaalsContact CE-O 3.29Å; K78-N80 WeakPolarHBondContact CE-O 3.43Å
79	I	91.8	Very high	89.2	Confident	51 Å²	51	78.7 Å²	78.7	26%	0.262	42%	0.419	S	S	.	.			trans	-85.5	-45.3	-175.9	-64	-61.5	0	0	0	111.4	V36 D38 K77 Y107	V36-I79 HydrophobicContact CB-CB 4.21Å; V36-I79 HydrophobicContact CG1-CB 4.14Å; V36-I79 HydrophobicContact CG1-CG1 4.17Å; V36-I79 PolarHBondContact O-N 3.43Å; D38-I79 HydrophobicContact CB-CD1 3.9Å; D38-I79 HydrophobicContact CB-CG1 4.37Å; K77-I79 PolarHBondContact O-N 2.88Å; I79-Y107 HydrophobicContact CD1-CE1 4.26Å; I79-Y107 HydrophobicContact CG1-CD1 4.25Å; I79-Y107 HydrophobicContact CG1-CE1 4.03Å
80	N	91.1	Very high	89	Confident	11 Å²	11	75.3 Å²	75.3	6%	0.059	40%	0.398	C	S	.	.			trans	-87.8	138.4	-175.7	62.4	-59.1	0	0	0	112.2	D35 V36 K78 A82 P83 Y84	D35-N80 PolarHBondContact OD1-ND2 2.66Å; V36-N80 PolarHBondContact N-OD1 2.94Å; V36-N80 PolarHBondContact O-OD1 3.31Å; K78-N80 VanDerWaalsContact CE-O 3.29Å; K78-N80 WeakPolarHBondContact CE-O 3.43Å; N80-A82 VanDerWaalsContact ND2-C 3.34Å; N80-A82 PolarHBondContact ND2-O 3.14Å; N80-P83 WeakPolarHBondContact ND2-CA 3.43Å; N80-Y84 HydrophobicContact CB-CD2 4.22Å; N80-Y84 HydrophobicContact CB-CE2 3.51Å
81	Q	81.9	Confident	88.9	Confident	206 Å²	206	77.7 Å²	77.7	96%	0.963	41%	0.409	S	S	*	.	S	Bend	trans	-78.1	-32.8	176.6	-66.6	-160.6	-1.3	0	0	113.1
82	A	86.9	Confident	88.8	Confident	67 Å²	67	77.1 Å²	77.1	55%	0.554	41%	0.406	S	S	*	.	S	Bend	trans	-124.8	144	174.1	0	0	0	0	0	109	N80	N80-A82 VanDerWaalsContact ND2-C 3.34Å; N80-A82 PolarHBondContact ND2-O 3.14Å
83	P	89.9	Confident	88.8	Confident	57 Å²	57	74.2 Å²	74.2	37%	0.37	40%	0.401	S	S	.	.			trans	-57.1	144.7	175.1	-22.1	32.9	0	0	0	112	D33 M34 N80 S85	D33-P83 HydrophobicContact CB-CB 3.8Å; M34-P83 WeakPolarHBondContact O-CA 3.35Å; N80-P83 WeakPolarHBondContact ND2-CA 3.43Å; P83-S85 PolarHBondContact O-N 3.07Å
84	Y	91.7	Very high	88.9	Confident	72 Å²	72	70.4 Å²	70.4	28%	0.282	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	113.9	171.9	-64.5	-80.1	0	0	0	109.3	D33 M34 V36 N80 I92 L94	D33-Y84 CarbonylContact C-O 3.44Å; D33-Y84 WeakPolarHBondContact CA-O 3.46Å; M34-Y84 PolarHBondContact N-O 3.28Å; M34-Y84 PolarHBondContact O-N 3.35Å; V36-Y84 HydrophobicContact CG2-CD2 4.24Å; V36-Y84 HydrophobicContact CG2-CE2 3.98Å; N80-Y84 HydrophobicContact CB-CD2 4.22Å; N80-Y84 HydrophobicContact CB-CE2 3.51Å; Y84-I92 HydrophobicContact CG-CG2 4.29Å; Y84-L94 HydrophobicContact CD1-CB 4.25Å; Y84-L94 HydrophobicContact CD2-CB 4.49Å; Y84-L94 HydrophobicContact CD2-CD2 4.02Å; Y84-L94 HydrophobicContact CE1-CB 3.89Å; Y84-L94 HydrophobicContact CE2-CB 4.11Å; Y84-L94 HydrophobicContact CE2-CD2 4.15Å; Y84-L94 HydrophobicContact CG-CD2 4.42Å
85	S	88.6	Confident	89	Confident	77 Å²	77	70.3 Å²	70.3	54%	0.538	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	144.1	177.2	-53.5	0	0	0	0	111.4	D33 P83	D33-S85 VanDerWaalsContact OD1-CA 3.31Å; D33-S85 WeakPolarHBondContact OD1-CA 3.17Å; D33-S85 VanDerWaalsContact OD1-CB 3.23Å; D33-S85 WeakPolarHBondContact OD1-CB 3.29Å; D33-S85 PolarHBondContact OD1-OG 2.93Å; P83-S85 PolarHBondContact O-N 3.07Å
86	V	87.9	Confident	89	Confident	11 Å²	11	62.2 Å²	62.2	7%	0.067	35%	0.346	C	S	.	.			trans	-64.3	136.1	175.5	71.8	0	0	0	0	112.2	T18 I32 I92	T18-V86 HydrophobicContact CG2-CG2 4.06Å; I32-V86 HydrophobicContact CG1-CB 4.32Å; I32-V86 HydrophobicContact CG1-CG1 4.43Å; I32-V86 PolarHBondContact O-N 3.21Å; I32-V86 VanDerWaalsContact O-N 3.14Å; V86-I92 HydrophobicContact CB-CD1 4.31Å; V86-I92 HydrophobicContact CB-CG1 4.21Å; V86-I92 HydrophobicContact CG2-CG1 4.45Å
87	D	84.4	Confident	88.9	Confident	66 Å²	66	62.1 Å²	62.1	35%	0.353	35%	0.347	S	S	.	.			trans	-79.1	-178.4	177.3	82.9	-4.6	0	0	0	113	K89 G90 E91	D87-K89 PolarHBondContact O-N 2.9Å; D87-K89 VanDerWaalsContact O-N 3.14Å; D87-K89 WeakPolarHBondContact OD1-CA 3.5Å; D87-K89 WeakPolarHBondContact OD1-CB 3.28Å; D87-K89 PolarHBondContact OD1-N 3.41Å; D87-G90 PolarHBondContact O-N 2.85Å; D87-G90 VanDerWaalsContact O-N 3.13Å; D87-G90 PolarHBondContact OD1-N 2.7Å; D87-E91 PolarHBondContact N-O 2.73Å; D87-E91 PolarHBondContact OD1-N 2.82Å
88	A	78.5	Confident	88.8	Confident	100 Å²	100	56.8 Å²	56.8	83%	0.826	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-20.4	-180	0	0	0	0	0	114.2
89	K	81.3	Confident	88.5	Confident	148 Å²	148	57.2 Å²	57.2	64%	0.643	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	-15.7	179.3	-61.8	179.2	-179	176.3	0	112.7	D87 E91	D87-K89 PolarHBondContact O-N 2.9Å; D87-K89 VanDerWaalsContact O-N 3.14Å; D87-K89 WeakPolarHBondContact OD1-CA 3.5Å; D87-K89 WeakPolarHBondContact OD1-CB 3.28Å; D87-K89 PolarHBondContact OD1-N 3.41Å; K89-E91 HydrophobicContact CB-CG 4.16Å
90	G	83.7	Confident	88.2	Confident	1 Å²	1	55.7 Å²	55.7	1%	0.01	32%	0.318	C	S	.	.	S	Bend	trans	91.2	25.8	-169.6	0	0	0	0	0	112.4	T18 D87	T18-G90 PolarHBondContact N-O 2.93Å; T18-G90 PolarHBondContact OG1-O 3.35Å; D87-G90 PolarHBondContact O-N 2.85Å; D87-G90 VanDerWaalsContact O-N 3.13Å; D87-G90 PolarHBondContact OD1-N 2.7Å
91	E	90.1	Very high	87.7	Confident	50 Å²	50	60.6 Å²	60.6	23%	0.234	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	146.2	-176.6	-62.3	-179.4	161.3	0	0	111.1	L15 I16 K17 D87 K89	L15-E91 HydrophobicContact CD1-CB 4.08Å; L15-E91 HydrophobicContact CD1-CG 4.49Å; I16-E91 CarbonylContact O-C 3.58Å; I16-E91 WeakPolarHBondContact O-CA 3.36Å; K17-E91 HydrophobicContact CG-CG 4.33Å; D87-E91 PolarHBondContact N-O 2.73Å; D87-E91 PolarHBondContact OD1-N 2.82Å; K89-E91 HydrophobicContact CB-CG 4.16Å
92	I	91.3	Very high	87.6	Confident	4 Å²	4	57.4 Å²	57.4	2%	0.021	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	124.2	169.8	-67.8	170.9	0	0	0	107.7	I16 M34 Y84 V86 L94	I16-I92 HydrophobicContact CB-CB 4.3Å; I16-I92 PolarHBondContact N-O 3.39Å; I16-I92 PolarHBondContact O-N 3Å; M34-I92 HydrophobicContact CB-CD1 4.22Å; M34-I92 HydrophobicContact CE-CD1 3.7Å; M34-I92 HydrophobicContact CG-CD1 3.67Å; M34-I92 HydrophobicContact SD-CD1 3.61Å; Y84-I92 HydrophobicContact CG-CG2 4.29Å; V86-I92 HydrophobicContact CB-CD1 4.31Å; V86-I92 HydrophobicContact CB-CG1 4.21Å; V86-I92 HydrophobicContact CG2-CG1 4.45Å; I92-L94 HydrophobicContact CG2-CD2 4.13Å
93	S	91.6	Very high	87.6	Confident	87 Å²	87	58.8 Å²	58.8	61%	0.608	33%	0.329	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.5	128.3	173.9	-64.1	0	0	0	0	109.9	V14 L15	V14-S93 WeakPolarHBondContact O-CA 3.34Å; L15-S93 WeakPolarHBondContact CD1-OG 3.42Å
94	L	92.9	Very high	87.6	Confident	7 Å²	7	58.9 Å²	58.9	4%	0.037	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	160.1	177.3	59.9	88.6	0	0	0	110.6	V14 I16 V36 Y84 I92 L96	V14-L94 HydrophobicContact CB-CD1 3.76Å; V14-L94 HydrophobicContact CB-CG 4.21Å; V14-L94 HydrophobicContact CG2-CD1 4.08Å; V14-L94 PolarHBondContact N-O 2.82Å; V14-L94 PolarHBondContact O-N 2.92Å; I16-L94 HydrophobicContact CD1-CD2 3.99Å; V36-L94 HydrophobicContact CG2-CD2 4.06Å; Y84-L94 HydrophobicContact CD1-CB 4.25Å; Y84-L94 HydrophobicContact CD2-CB 4.49Å; Y84-L94 HydrophobicContact CD2-CD2 4.02Å; Y84-L94 HydrophobicContact CE1-CB 3.89Å; Y84-L94 HydrophobicContact CE2-CB 4.11Å; Y84-L94 HydrophobicContact CE2-CD2 4.15Å; Y84-L94 HydrophobicContact CG-CD2 4.42Å; I92-L94 HydrophobicContact CG2-CD2 4.13Å; L94-L96 HydrophobicContact CD1-CD1 3.77Å; L94-L96 HydrophobicContact CD1-CD2 3.58Å; L94-L96 HydrophobicContact CD1-CG 3.42Å; L94-L96 VanDerWaalsContact CD1-CG 3.42Å
95	S	91.9	Very high	87.7	Confident	60 Å²	60	55.4 Å²	55.4	42%	0.42	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	126.4	178.8	-55.1	0	0	0	0	109.5	V12	V12-S95 WeakPolarHBondContact O-CA 3.45Å
96	L	92.9	Very high	88.1	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	137.4	-177.2	-60.5	176.1	0	0	0	110.8	L11 V12 V14 V36 L94 Y107 I125	L11-L96 CarbonylContact C-O 3.55Å; L11-L96 VanDerWaalsContact CA-O 3.28Å; L11-L96 WeakPolarHBondContact CA-O 2.84Å; V12-L96 HydrophobicContact CG1-CB 3.9Å; V12-L96 WeakPolarHBondContact CG1-O 3.34Å; V12-L96 PolarHBondContact N-O 2.97Å; V12-L96 PolarHBondContact O-N 2.8Å; V14-L96 HydrophobicContact CG2-CD1 3.81Å; V14-L96 HydrophobicContact CG2-CG 4.18Å; V36-L96 HydrophobicContact CG1-CD2 3.84Å; L94-L96 HydrophobicContact CD1-CD1 3.77Å; L94-L96 HydrophobicContact CD1-CD2 3.58Å; L94-L96 HydrophobicContact CD1-CG 3.42Å; L94-L96 VanDerWaalsContact CD1-CG 3.42Å; L96-Y107 HydrophobicContact CB-CD2 4.12Å; L96-Y107 HydrophobicContact CB-CE2 3.68Å; L96-Y107 HydrophobicContact CD1-CD1 4.46Å; L96-Y107 HydrophobicContact CD1-CD2 3.57Å; L96-Y107 HydrophobicContact CD1-CE2 4.05Å; L96-Y107 HydrophobicContact CD1-CG 3.8Å; L96-Y107 HydrophobicContact CD2-CD1 4.29Å; L96-Y107 HydrophobicContact CD2-CE1 4.31Å; L96-Y107 HydrophobicContact CD2-CG 4.43Å; L96-Y107 HydrophobicContact CG-CD2 4.29Å; L96-Y107 HydrophobicContact CG-CE2 4.3Å; L96-I125 HydrophobicContact CD1-CD1 4.15Å
97	P	92.1	Very high	88.5	Confident	19 Å²	19	51.2 Å²	51.2	12%	0.123	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.2	140.5	170.1	-25.2	34.1	0	0	0	112.8	L11 Q99 Y107 L127	L11-P97 HydrophobicContact CD2-CB 4.34Å; L11-P97 HydrophobicContact CD2-CG 4.03Å; P97-Q99 VanDerWaalsContact C-N 3.25Å; P97-Q99 WeakPolarHBondContact CB-O 3.47Å; P97-Q99 PolarHBondContact O-N 2.83Å; P97-Y107 WeakPolarHBondContact CD-OH 3.41Å; P97-Y107 WeakPolarHBondContact O-CE2 3.37Å; P97-Y107 PolarHBondContact O-OH 2.99Å; P97-L127 WeakPolarHBondContact O-CD1 3.46Å
98	R	89.9	Confident	89.1	Confident	18 Å²	18	48.1 Å²	48.1	7%	0.068	27%	0.267	C	S	.	.	S	Bend	trans	-67.6	-28	174.5	-75.5	-174.9	-169.6	-82.8	-6.5	113.4	S10 A105 E137 A138 D139	S10-R98 WeakPolarHBondContact O-CB 3.33Å; S10-R98 WeakPolarHBondContact O-CG 2.69Å; S10-R98 PolarHBondContact O-N 2.94Å; S10-R98 VanDerWaalsContact OG-CD 3.25Å; S10-R98 WeakPolarHBondContact OG-CD 3.34Å; R98-A105 WeakPolarHBondContact O-CB 3.19Å; R98-A105 PolarHBondContact O-N 2.65Å; R98-E137 WeakPolarHBondContact CD-OE2 3.21Å; R98-E137 IonicContact CZ-OE2 2.96Å; R98-E137 IonicContact NE-OE2 3.24Å; R98-E137 VanDerWaalsContact NH1-CB 3.3Å; R98-E137 IonicContact NH1-OE2 3.18Å; R98-E137 PolarHBondContact NH1-OE2 2.59Å; R98-A138 PolarHBondContact NH1-O 2.82Å; R98-A138 VanDerWaalsContact NH1-O 3.16Å; R98-A138 PolarHBondContact NH2-O 2.98Å; R98-D139 IonicContact CZ-OD1 3.13Å; R98-D139 VanDerWaalsContact NH2-CA 3.29Å; R98-D139 IonicContact NH2-OD1 3.28Å; R98-D139 PolarHBondContact NH2-OD1 2.88Å
99	Q	87.9	Confident	89.9	Confident	89 Å²	89	43.4 Å²	43.4	42%	0.416	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	148.3	-179.5	-66.3	-172.1	-19.1	0	0	111.4	P97 Q103	P97-Q99 VanDerWaalsContact C-N 3.25Å; P97-Q99 WeakPolarHBondContact CB-O 3.47Å; P97-Q99 PolarHBondContact O-N 2.83Å; Q99-Q103 CarbonylContact C-O 3.6Å; Q99-Q103 WeakPolarHBondContact CA-O 3.47Å; Q99-Q103 VanDerWaalsContact CB-O 3.26Å; Q99-Q103 WeakPolarHBondContact CB-O 3.3Å
100	Q	85.3	Confident	90.5	Very high	20 Å²	20	37.5 Å²	37.5	9%	0.093	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	130.2	164.9	-71.6	-63.9	-64.6	0	0	107.1	D38 T40 N102 Q103 A105	D38-Q100 WeakPolarHBondContact OD2-CG 3.49Å; T40-Q100 HydrophobicContact CG2-CB 4.23Å; Q100-N102 VanDerWaalsContact C-N 3.3Å; Q100-N102 PolarHBondContact O-N 3.06Å; Q100-Q103 PolarHBondContact N-O 2.83Å; Q100-Q103 PolarHBondContact O-N 2.79Å; Q100-A105 HydrophobicContact CB-CB 4.42Å; Q100-A105 HydrophobicContact CG-CB 4.03Å
101	N	81.9	Confident	91	Very high	114 Å²	114	38.2 Å²	38.2	61%	0.61	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.6	40.5	-178.7	-55.4	-36	0	0	0	114	Q103	N101-Q103 PolarHBondContact O-N 2.8Å
102	N	79.7	Confident	91	Very high	139 Å²	139	38.2 Å²	38.2	74%	0.743	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.6	26.9	-175.8	-60.7	-5.2	0	0	0	114.2	Q100	Q100-N102 VanDerWaalsContact C-N 3.3Å; Q100-N102 PolarHBondContact O-N 3.06Å
103	Q	85.8	Confident	90.8	Very high	95 Å²	95	40.1 Å²	40.1	44%	0.444	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	151.8	174.7	-62.1	-62.5	-41.2	0	0	109.1	T40 Q99 Q100 N101 A105	T40-Q103 HydrophobicContact CG2-CB 3.99Å; Q99-Q103 CarbonylContact C-O 3.6Å; Q99-Q103 WeakPolarHBondContact CA-O 3.47Å; Q99-Q103 VanDerWaalsContact CB-O 3.26Å; Q99-Q103 WeakPolarHBondContact CB-O 3.3Å; Q100-Q103 PolarHBondContact N-O 2.83Å; Q100-Q103 PolarHBondContact O-N 2.79Å; N101-Q103 PolarHBondContact O-N 2.8Å; Q103-A105 PolarHBondContact O-N 3.07Å; Q103-A105 VanDerWaalsContact O-N 3.14Å
104	D	91.2	Very high	90.5	Very high	59 Å²	59	37.4 Å²	37.4	32%	0.316	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.5	119.8	175.1	-69.9	-16	0	0	0	110.6	R43 L127 P128	R43-D104 PolarHBondContact NH1-O 3.13Å; D104-L127 WeakPolarHBondContact CB-O 3.5Å; D104-P128 VanDerWaalsContact OD2-CD 3.3Å; D104-P128 WeakPolarHBondContact OD2-CD 3.33Å
105	A	93.8	Very high	90.1	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	25%	0.246	C	C	.	.			trans	-70.6	151.2	-169.6	0	0	0	0	0	111.8	T40 R43 R98 Q100 Q103 Y107 L127	T40-A105 WeakPolarHBondContact OG1-CA 3.33Å; R43-A105 PolarHBondContact NH1-O 3.23Å; R98-A105 WeakPolarHBondContact O-CB 3.19Å; R98-A105 PolarHBondContact O-N 2.65Å; Q100-A105 HydrophobicContact CB-CB 4.42Å; Q100-A105 HydrophobicContact CG-CB 4.03Å; Q103-A105 PolarHBondContact O-N 3.07Å; Q103-A105 VanDerWaalsContact O-N 3.14Å; A105-Y107 HydrophobicContact CB-CD2 4.39Å; A105-Y107 HydrophobicContact CB-CE2 3.5Å; A105-L127 HydrophobicContact CB-CD1 4.42Å; A105-L127 WeakPolarHBondContact O-CB 3.15Å; A105-L127 PolarHBondContact O-N 3.25Å
106	A	95.3	Very high	89.6	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	143.8	165.2	0	0	0	0	0	109.9	L39 T40 R43 I125 Y126	L39-A106 WeakPolarHBondContact CA-O 3.32Å; L39-A106 HydrophobicContact CB-CB 4.05Å; L39-A106 PolarHBondContact N-O 3.33Å; T40-A106 PolarHBondContact N-O 2.88Å; T40-A106 PolarHBondContact OG1-N 3.31Å; R43-A106 HydrophobicContact CB-CB 4.03Å; A106-I125 CarbonylContact C-O 3.58Å; A106-I125 VanDerWaalsContact CA-O 3.26Å; A106-I125 WeakPolarHBondContact CA-O 3.17Å; A106-Y126 HydrophobicContact CB-CD2 3.84Å; A106-Y126 HydrophobicContact CB-CE2 3.74Å; A106-Y126 HydrophobicContact CB-CG 4.36Å
107	Y	96.8	Very high	89.1	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	140.8	-176.5	-62.3	-75.4	0	0	0	111.6	V36 Y37 I79 L96 P97 A105 I124 I125 L127	V36-Y107 HydrophobicContact CG1-CD1 3.85Å; V36-Y107 HydrophobicContact CG1-CG 4.35Å; Y37-Y107 WeakPolarHBondContact O-CA 3.25Å; I79-Y107 HydrophobicContact CD1-CE1 4.26Å; I79-Y107 HydrophobicContact CG1-CD1 4.25Å; I79-Y107 HydrophobicContact CG1-CE1 4.03Å; L96-Y107 HydrophobicContact CB-CD2 4.12Å; L96-Y107 HydrophobicContact CB-CE2 3.68Å; L96-Y107 HydrophobicContact CD1-CD1 4.46Å; L96-Y107 HydrophobicContact CD1-CD2 3.57Å; L96-Y107 HydrophobicContact CD1-CE2 4.05Å; L96-Y107 HydrophobicContact CD1-CG 3.8Å; L96-Y107 HydrophobicContact CD2-CD1 4.29Å; L96-Y107 HydrophobicContact CD2-CE1 4.31Å; L96-Y107 HydrophobicContact CD2-CG 4.43Å; L96-Y107 HydrophobicContact CG-CD2 4.29Å; L96-Y107 HydrophobicContact CG-CE2 4.3Å; P97-Y107 WeakPolarHBondContact CD-OH 3.41Å; P97-Y107 WeakPolarHBondContact O-CE2 3.37Å; P97-Y107 PolarHBondContact O-OH 2.99Å; A105-Y107 HydrophobicContact CB-CD2 4.39Å; A105-Y107 HydrophobicContact CB-CE2 3.5Å; Y107-I124 CarbonylContact O-C 3.59Å; Y107-I124 VanDerWaalsContact O-CA 3.3Å; Y107-I124 WeakPolarHBondContact O-CA 3.45Å; Y107-I125 PolarHBondContact N-O 2.8Å; Y107-I125 PolarHBondContact O-N 3.12Å; Y107-L127 HydrophobicContact CD2-CD1 4.49Å; Y107-L127 HydrophobicContact CE2-CD1 3.98Å
108	L	96.6	Very high	88.6	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	122.4	168.3	175.5	68.8	0	0	0	108.6	Y37 L39 F70 V71 L76 L110 P122 I124	Y37-L108 PolarHBondContact N-O 3Å; Y37-L108 PolarHBondContact O-N 2.8Å; L39-L108 HydrophobicContact CD1-CB 4.5Å; L39-L108 HydrophobicContact CD2-CB 4.42Å; F70-L108 HydrophobicContact CD1-CD2 3.98Å; F70-L108 HydrophobicContact CE1-CD2 3.93Å; V71-L108 HydrophobicContact CG2-CD2 4.21Å; L76-L108 HydrophobicContact CD1-CD2 3.94Å; L108-L110 HydrophobicContact CD1-CD2 3.95Å; L108-L110 HydrophobicContact CD2-CD1 4.24Å; L108-L110 HydrophobicContact CD2-CD2 4.15Å; L108-L110 HydrophobicContact CD2-CG 4.21Å; L108-L110 HydrophobicContact CG-CD2 3.95Å; L108-L110 HydrophobicContact CG-CG 4.08Å; L108-P122 HydrophobicContact CD1-CB 4.08Å; L108-I124 HydrophobicContact CD1-CD1 4.33Å; L108-I124 HydrophobicContact CD1-CG1 3.7Å
109	I	95.9	Very high	88.4	Confident	1 Å²	1	48.5 Å²	48.5	1%	0.005	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	121.7	178.2	-46.2	-179.7	0	0	0	108.7	I16 M34 D35 V36 I123 I125	I16-I109 HydrophobicContact CD1-CD1 3.7Å; I16-I109 HydrophobicContact CD1-CG2 4.34Å; M34-I109 HydrophobicContact CB-CG2 3.94Å; M34-I109 HydrophobicContact CG-CG2 4.34Å; M34-I109 HydrophobicContact SD-CG2 3.96Å; D35-I109 WeakPolarHBondContact O-CA 3.35Å; V36-I109 HydrophobicContact CG1-CG1 4.36Å; V36-I109 HydrophobicContact CG2-CD1 4.43Å; V36-I109 HydrophobicContact CG2-CG1 4.18Å; V36-I109 HydrophobicContact CG2-CG2 4.34Å; I109-I123 HydrophobicContact CB-CB 4.13Å; I109-I123 HydrophobicContact CD1-CG2 4.35Å; I109-I123 PolarHBondContact N-O 2.72Å; I109-I123 PolarHBondContact O-N 3.42Å; I109-I123 VanDerWaalsContact O-N 3.1Å; I109-I125 HydrophobicContact CD1-CD1 3.88Å
110	L	94.9	Very high	88.4	Confident	24 Å²	24	44.8 Å²	44.8	13%	0.126	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	134.4	-179	-59.4	-177.2	0	0	0	109.8	M34 D35 Y37 L67 V71 L108 P122	M34-L110 WeakPolarHBondContact CA-O 3.4Å; D35-L110 PolarHBondContact N-O 3.44Å; D35-L110 PolarHBondContact O-N 2.82Å; Y37-L110 HydrophobicContact CD2-CD1 4.29Å; Y37-L110 HydrophobicContact CD2-CG 4.36Å; Y37-L110 HydrophobicContact CE2-CB 4.37Å; Y37-L110 HydrophobicContact CE2-CD1 4.02Å; Y37-L110 HydrophobicContact CE2-CG 4.3Å; L67-L110 HydrophobicContact CB-CD1 4.34Å; L67-L110 HydrophobicContact CB-CD2 4.39Å; L67-L110 HydrophobicContact CD1-CD2 4.17Å; V71-L110 HydrophobicContact CG2-CD1 3.65Å; L108-L110 HydrophobicContact CD1-CD2 3.95Å; L108-L110 HydrophobicContact CD2-CD1 4.24Å; L108-L110 HydrophobicContact CD2-CD2 4.15Å; L108-L110 HydrophobicContact CD2-CG 4.21Å; L108-L110 HydrophobicContact CG-CD2 3.95Å; L108-L110 HydrophobicContact CG-CG 4.08Å; L110-P122 HydrophobicContact CD2-CB 3.73Å
111	S	92.7	Very high	88.7	Confident	17 Å²	17	44.8 Å²	44.8	12%	0.119	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	158.4	174.7	65	0	0	0	0	112.3	D33 K64 E114 M120	D33-S111 CarbonylContact O-C 3.51Å; D33-S111 VanDerWaalsContact O-CA 3.27Å; D33-S111 WeakPolarHBondContact O-CA 3.47Å; K64-S111 PolarHBondContact NZ-O 2.77Å; K64-S111 PolarHBondContact NZ-OG 3.19Å; S111-E114 WeakPolarHBondContact CB-OE1 3.28Å; S111-E114 PolarHBondContact OG-OE1 2.85Å; S111-M120 WeakPolarHBondContact OG-CB 3.46Å
112	S	90.4	Very high	89.2	Confident	50 Å²	50	40.1 Å²	40.1	35%	0.35	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	165.4	170.5	63.2	0	0	0	0	110.3	I32 D33 E114	I32-S112 WeakPolarHBondContact CA-O 3.19Å; D33-S112 PolarHBondContact N-O 2.65Å; D33-S112 PolarHBondContact O-N 2.89Å; D33-S112 PolarHBondContact O-OG 2.86Å; S112-E114 WeakPolarHBondContact CA-OE2 3.32Å
113	G	86.4	Confident	89.8	Confident	44 Å²	44	34.1 Å²	34.1	45%	0.454	20%	0.197	S	C	.	.			trans	92.9	0.4	177.3	0	0	0	0	0	115.6	T115	G113-T115 PolarHBondContact O-N 3.11Å
114	E	87.2	Confident	90.2	Very high	29 Å²	29	30 Å²	30	14%	0.136	18%	0.178	C	C	.	.			trans	-63	134.3	172.6	-59.8	89.7	145.6	0	0	111.2	G28 I32 K64 S111 S112	G28-E114 WeakPolarHBondContact O-CA 3.45Å; I32-E114 HydrophobicContact CG2-CG 3.78Å; K64-E114 IonicContact NZ-OE1 2.59Å; K64-E114 PolarHBondContact NZ-OE1 3.2Å; K64-E114 IonicContact NZ-OE2 3.23Å; K64-E114 PolarHBondContact NZ-OE2 3.14Å; S111-E114 WeakPolarHBondContact CB-OE1 3.28Å; S111-E114 PolarHBondContact OG-OE1 2.85Å; S112-E114 WeakPolarHBondContact CA-OE2 3.32Å
115	T	83.7	Confident	90.4	Very high	120 Å²	120	27.3 Å²	27.3	74%	0.736	16%	0.164	S	C	*	.			trans	-117.6	-6.1	-177.6	55.1	0	0	0	0	113.7	G28 G113	G28-T115 VanDerWaalsContact CA-OG1 3.27Å; G28-T115 WeakPolarHBondContact CA-OG1 3.3Å; G28-T115 PolarHBondContact O-N 2.88Å; G28-T115 PolarHBondContact O-OG1 3.37Å; G113-T115 PolarHBondContact O-N 3.11Å
116	G	81.4	Confident	90.4	Very high	17 Å²	17	27.9 Å²	27.9	18%	0.175	17%	0.166	C	C	.	.	S	Bend	trans	-100.5	-165.3	-178.9	0	0	0	0	0	113.7	T27 Y118	T27-G116 WeakPolarHBondContact O-CA 3.03Å; G116-Y118 PolarHBondContact O-N 2.92Å
117	N	81.8	Confident	90.2	Very high	79 Å²	79	28 Å²	28	42%	0.422	17%	0.167	S	C	.	.	S	Bend	trans	-85.3	14.4	-178.7	-63.3	-15.6	0	0	0	113.1	E149 I150	N117-E149 CarbonylContact O-C 3.51Å; N117-E149 WeakPolarHBondContact O-CA 3.42Å; N117-E149 WeakPolarHBondContact O-CG 3.3Å; N117-I150 WeakPolarHBondContact O-CG1 3.19Å; N117-I150 PolarHBondContact O-N 2.71Å
118	Y	82.6	Confident	90	Very high	64 Å²	64	29.6 Å²	29.6	25%	0.251	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	133.4	-176.6	-71.3	-94.7	0	0	0	110.2	Y26 G116 R148 E149	Y26-Y118 AromaticContact CD1-CD1 3.54Å; Y26-Y118 HydrophobicContact CD1-CD1 3.54Å; Y26-Y118 AromaticContact CD1-CD2 3.85Å; Y26-Y118 HydrophobicContact CD1-CD2 3.85Å; Y26-Y118 AromaticContact CD1-CE1 3.56Å; Y26-Y118 HydrophobicContact CD1-CE1 3.56Å; Y26-Y118 AromaticContact CD1-CE2 3.91Å; Y26-Y118 HydrophobicContact CD1-CE2 3.91Å; Y26-Y118 AromaticContact CD1-CG 3.69Å; Y26-Y118 HydrophobicContact CD1-CG 3.69Å; Y26-Y118 AromaticContact CD1-CZ 3.77Å; Y26-Y118 AromaticContact CE1-CD1 3.8Å; Y26-Y118 HydrophobicContact CE1-CD1 3.8Å; Y26-Y118 AromaticContact CE1-CE1 3.58Å; Y26-Y118 HydrophobicContact CE1-CE1 3.58Å; Y26-Y118 HydrophobicContact CE1-CG 4.41Å; Y26-Y118 HydrophobicContact CG-CD1 4.21Å; Y26-Y118 HydrophobicContact CG-CD2 4.32Å; Y26-Y118 HydrophobicContact CG-CG 4.05Å; G116-Y118 PolarHBondContact O-N 2.92Å; Y118-R148 WeakPolarHBondContact CA-O 3.23Å; Y118-E149 HydrophobicContact CD1-CB 4.04Å; Y118-E149 HydrophobicContact CD1-CG 4.49Å; Y118-E149 HydrophobicContact CE1-CB 3.69Å; Y118-E149 HydrophobicContact CE1-CG 4.05Å; Y118-E149 HydrophobicContact CE2-CG 4.33Å
119	H	85.1	Confident	89.4	Confident	57 Å²	57	32.5 Å²	32.5	26%	0.264	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	136.5	170.9	-71.7	166.6	0	0	0	110.2	Y147 R148 I150	H119-Y147 CarbonylContact O-C 3.54Å; H119-Y147 WeakPolarHBondContact O-CA 3.43Å; H119-R148 PolarHBondContact N-O 2.84Å; H119-R148 PolarHBondContact O-N 2.79Å; H119-I150 WeakPolarHBondContact NE2-CD1 3.32Å
120	M	88	Confident	88.7	Confident	11 Å²	11	39 Å²	39	5%	0.054	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	137.2	172	-175.1	176.7	151.8	0	0	110.5	I32 M34 S111 I123 C145 Y147	I32-M120 HydrophobicContact CD1-SD 4.02Å; M34-M120 HydrophobicContact CE-CE 3.47Å; M34-M120 VanDerWaalsContact CE-CE 3.47Å; M34-M120 HydrophobicContact CE-SD 3.42Å; M34-M120 WeakPolarHBondContact CE-SD 3.35Å; M34-M120 HydrophobicContact SD-CE 4.26Å; S111-M120 WeakPolarHBondContact OG-CB 3.46Å; M120-I123 HydrophobicContact CE-CD1 3.34Å; M120-I123 HydrophobicContact CE-CG1 3.82Å; M120-C145 HydrophobicContact CE-CB 3.8Å; M120-C145 WeakPolarHBondContact CE-SG 3.36Å; M120-C145 HydrophobicContact CG-CB 4.14Å; M120-C145 HydrophobicContact SD-CB 3.88Å; M120-C145 VanDerWaalsContact SD-SG 3.63Å; M120-Y147 HydrophobicContact CB-CD1 3.96Å; M120-Y147 HydrophobicContact CB-CE1 3.69Å; M120-Y147 HydrophobicContact CG-CE1 4.08Å
121	V	90.6	Very high	87.5	Confident	21 Å²	21	43.4 Å²	43.4	13%	0.127	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-70.6	135.9	174.3	174.3	0	0	0	0	109	M58 K146 R148	M58-V121 HydrophobicContact CE-CG1 3.54Å; M58-V121 HydrophobicContact CE-CG2 4.29Å; M58-V121 HydrophobicContact SD-CG1 3.64Å; V121-K146 HydrophobicContact CB-CB 4.26Å; V121-K146 WeakPolarHBondContact CB-O 3.43Å; V121-K146 HydrophobicContact CG2-CB 4.15Å; V121-K146 PolarHBondContact N-O 2.9Å; V121-R148 HydrophobicContact CG2-CB 4.48Å
122	P	92.4	Very high	86.3	Confident	15 Å²	15	48.1 Å²	48.1	10%	0.097	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-57.7	142	177.4	24.4	-35.4	0	0	0	111.6	M58 L67 L108 L110	M58-P122 HydrophobicContact CG-CG 4.3Å; L67-P122 HydrophobicContact CD1-CB 4.32Å; L67-P122 HydrophobicContact CD1-CG 4.03Å; L67-P122 HydrophobicContact CD2-CG 4.45Å; L108-P122 HydrophobicContact CD1-CB 4.08Å; L110-P122 HydrophobicContact CD2-CB 3.73Å
123	I	94	Very high	84.6	Confident	13 Å²	13	52.6 Å²	52.6	7%	0.067	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	130.9	174.2	-61.6	166.6	0	0	0	107.7	I16 I109 M120 I125 I143	I16-I123 HydrophobicContact CD1-CD1 4.13Å; I16-I123 HydrophobicContact CG1-CD1 4.44Å; I16-I123 HydrophobicContact CG2-CD1 3.81Å; I109-I123 HydrophobicContact CB-CB 4.13Å; I109-I123 HydrophobicContact CD1-CG2 4.35Å; I109-I123 PolarHBondContact N-O 2.72Å; I109-I123 PolarHBondContact O-N 3.42Å; I109-I123 VanDerWaalsContact O-N 3.1Å; M120-I123 HydrophobicContact CE-CD1 3.34Å; M120-I123 HydrophobicContact CE-CG1 3.82Å; I123-I125 HydrophobicContact CG2-CD1 4.25Å; I123-I125 HydrophobicContact CG2-CG1 3.86Å; I123-I143 HydrophobicContact CD1-CG2 3.9Å; I123-I143 HydrophobicContact CG1-CG2 4.24Å; I123-I143 HydrophobicContact CG2-CD1 3.8Å; I123-I143 HydrophobicContact CG2-CG2 4.21Å
124	I	94.1	Very high	83.2	Confident	9 Å²	9	53.3 Å²	53.3	5%	0.046	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	138	170.7	-68.9	157.6	0	0	0	106.4	L39 E50 K54 I57 Y107 L108 Y126	L39-I124 HydrophobicContact CD2-CG2 4.17Å; E50-I124 HydrophobicContact CG-CG2 4.31Å; K54-I124 VanDerWaalsContact CA-CD1 3.5Å; K54-I124 HydrophobicContact CB-CD1 3.91Å; K54-I124 HydrophobicContact CG-CD1 4.21Å; I57-I124 HydrophobicContact CB-CD1 4.3Å; I57-I124 HydrophobicContact CD1-CD1 3.62Å; I57-I124 HydrophobicContact CD1-CG1 4.48Å; Y107-I124 CarbonylContact O-C 3.59Å; Y107-I124 VanDerWaalsContact O-CA 3.3Å; Y107-I124 WeakPolarHBondContact O-CA 3.45Å; L108-I124 HydrophobicContact CD1-CD1 4.33Å; L108-I124 HydrophobicContact CD1-CG1 3.7Å; I124-Y126 HydrophobicContact CG2-CD2 3.61Å; I124-Y126 HydrophobicContact CG2-CE2 3.41Å; I124-Y126 VanDerWaalsContact CG2-CE2 3.41Å
125	I	94.2	Very high	82.2	Confident	2 Å²	2	57.9 Å²	57.9	1%	0.01	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	119.9	179.7	-55.4	177.2	0	0	0	108.1	V14 E50 L96 A106 Y107 I109 I123 L127 L141 I143	V14-I125 HydrophobicContact CG1-CD1 3.92Å; V14-I125 HydrophobicContact CG2-CD1 4.23Å; E50-I125 WeakPolarHBondContact OE1-CA 3.45Å; L96-I125 HydrophobicContact CD1-CD1 4.15Å; A106-I125 CarbonylContact C-O 3.58Å; A106-I125 VanDerWaalsContact CA-O 3.26Å; A106-I125 WeakPolarHBondContact CA-O 3.17Å; Y107-I125 PolarHBondContact N-O 2.8Å; Y107-I125 PolarHBondContact O-N 3.12Å; I109-I125 HydrophobicContact CD1-CD1 3.88Å; I123-I125 HydrophobicContact CG2-CD1 4.25Å; I123-I125 HydrophobicContact CG2-CG1 3.86Å; I125-L127 HydrophobicContact CG2-CD2 3.98Å; I125-L127 HydrophobicContact CG2-CG 4.38Å; I125-L141 HydrophobicContact CG2-CD1 3.75Å; I125-I143 HydrophobicContact CD1-CD1 3.55Å; I125-I143 HydrophobicContact CG1-CD1 3.85Å
126	Y	93.6	Very high	81.7	Confident	13 Å²	13	56.2 Å²	56.2	5%	0.051	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	122.1	173.4	-82	-142.5	0	0	0	109	L39 R43 E50 D53 A106 I124 Q129	L39-Y126 HydrophobicContact CD2-CE2 4.19Å; R43-Y126 HydrophobicContact CB-CE1 4.02Å; R43-Y126 WeakPolarHBondContact CB-OH 3.4Å; R43-Y126 VanDerWaalsContact CD-CE1 3.49Å; R43-Y126 HydrophobicContact CG-CD1 4.16Å; R43-Y126 HydrophobicContact CG-CE1 3.49Å; R43-Y126 VanDerWaalsContact CG-CE1 3.49Å; E50-Y126 HydrophobicContact CB-CD1 3.93Å; E50-Y126 HydrophobicContact CB-CD2 4.02Å; E50-Y126 HydrophobicContact CB-CG 3.68Å; E50-Y126 HydrophobicContact CG-CD2 3.87Å; E50-Y126 HydrophobicContact CG-CG 3.96Å; E50-Y126 PolarHBondContact OE1-N 3.02Å; D53-Y126 VanDerWaalsContact OD2-CZ 3.31Å; D53-Y126 PolarHBondContact OD2-OH 3.05Å; A106-Y126 HydrophobicContact CB-CD2 3.84Å; A106-Y126 HydrophobicContact CB-CE2 3.74Å; A106-Y126 HydrophobicContact CB-CG 4.36Å; I124-Y126 HydrophobicContact CG2-CD2 3.61Å; I124-Y126 HydrophobicContact CG2-CE2 3.41Å; I124-Y126 VanDerWaalsContact CG2-CE2 3.41Å; Y126-Q129 WeakPolarHBondContact O-CG 3.37Å; Y126-Q129 PolarHBondContact O-NE2 2.81Å
127	L	92.4	Very high	81.9	Confident	3 Å²	3	58.8 Å²	58.8	2%	0.016	30%	0.302	C	S	.	.	S	Bend	trans	-93.6	156.8	174.1	-60.4	179.1	0	0	0	110.5	V12 R43 P97 D104 A105 Y107 I125 Q129 L141	V12-L127 HydrophobicContact CG1-CD1 3.63Å; V12-L127 HydrophobicContact CG1-CD2 4.07Å; R43-L127 PolarHBondContact NH1-O 2.94Å; R43-L127 PolarHBondContact NH2-O 3.26Å; R43-L127 VanDerWaalsContact NH2-O 3.08Å; P97-L127 WeakPolarHBondContact O-CD1 3.46Å; D104-L127 WeakPolarHBondContact CB-O 3.5Å; A105-L127 HydrophobicContact CB-CD1 4.42Å; A105-L127 WeakPolarHBondContact O-CB 3.15Å; A105-L127 PolarHBondContact O-N 3.25Å; Y107-L127 HydrophobicContact CD2-CD1 4.49Å; Y107-L127 HydrophobicContact CE2-CD1 3.98Å; I125-L127 HydrophobicContact CG2-CD2 3.98Å; I125-L127 HydrophobicContact CG2-CG 4.38Å; L127-Q129 HydrophobicContact CD2-CG 4.19Å; L127-L141 HydrophobicContact CD2-CD1 4.09Å
128	P	91.2	Very high	81.9	Confident	33 Å²	33	55.5 Å²	55.5	21%	0.214	29%	0.286	C	S	.	.	P	Polyproline II helix	cis	-72.3	137.8	-12.5	32	-35.1	0	0	0	111.7	D104 E137	D104-P128 VanDerWaalsContact OD2-CD 3.3Å; D104-P128 WeakPolarHBondContact OD2-CD 3.33Å; P128-E137 HydrophobicContact CB-CB 4.34Å; P128-E137 HydrophobicContact CB-CG 3.74Å
129	Q	85.5	Confident	82	Confident	61 Å²	61	57.8 Å²	57.8	29%	0.285	30%	0.303	S	S	.	.	P	Polyproline II helix	trans	-87.2	135.4	161.5	-69.5	-70	-47.8	0	0	107.4	E50 Y126 L127 E137 A138 L141	E50-Q129 PolarHBondContact OE2-NE2 2.83Å; Y126-Q129 WeakPolarHBondContact O-CG 3.37Å; Y126-Q129 PolarHBondContact O-NE2 2.81Å; L127-Q129 HydrophobicContact CD2-CG 4.19Å; Q129-E137 CarbonylContact O-C 3.6Å; Q129-E137 WeakPolarHBondContact O-CA 3.27Å; Q129-A138 HydrophobicContact CB-CB 4.43Å; Q129-A138 PolarHBondContact O-N 3.47Å; Q129-L141 HydrophobicContact CB-CD1 4.35Å; Q129-L141 HydrophobicContact CB-CD2 3.64Å; Q129-L141 HydrophobicContact CG-CD1 3.94Å; Q129-L141 HydrophobicContact CG-CD2 3.9Å
130	R	80.6	Confident	82.2	Confident	138 Å²	138	60.6 Å²	60.6	52%	0.521	31%	0.314	S	S	.	.	B	Isolated β-bridge	trans	-111.8	144	-178.2	-68.1	177	178	172	2.2	110.4	T132 L135 T136	R130-T132 PolarHBondContact O-N 2.56Å; R130-L135 VanDerWaalsContact NH1-CD2 3.34Å; R130-T136 WeakPolarHBondContact CA-O 3.44Å
131	M	70.1	Confident	82.4	Confident	116 Å²	116	61.1 Å²	61.1	57%	0.571	32%	0.317	S	S	*	.			trans	-63.6	136.2	173.2	-63.6	-123	-65.4	0	0	109.1	N133 T134 T136 A138	M131-N133 PolarHBondContact O-N 2.72Å; M131-T134 WeakPolarHBondContact CB-OG1 3.28Å; M131-T134 PolarHBondContact O-N 2.96Å; M131-T134 PolarHBondContact O-OG1 3.13Å; M131-T136 PolarHBondContact N-O 3.14Å; M131-A138 HydrophobicContact CG-CB 4.36Å
132	T	66.4	Low	82.4	Confident	115 Å²	115	65 Å²	65	71%	0.706	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.2	129.7	-178.7	-47.9	0	0	0	0	110.9	R130 T134	R130-T132 PolarHBondContact O-N 2.56Å; T132-T134 VanDerWaalsContact C-N 3.25Å; T132-T134 PolarHBondContact O-N 2.82Å
133	N	54.4	Low	82.4	Confident	144 Å²	144	66.1 Å²	66.1	77%	0.77	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.8	21.3	179.6	-49.9	-26.4	0	0	0	115.1	M131	M131-N133 PolarHBondContact O-N 2.72Å
134	T	58.4	Low	82.2	Confident	60 Å²	60	69.1 Å²	69.1	37%	0.368	36%	0.357	S	S	.	.	S	Bend	trans	-137	160.1	174.5	75.7	0	0	0	0	111.8	M131 T132 T136	M131-T134 WeakPolarHBondContact CB-OG1 3.28Å; M131-T134 PolarHBondContact O-N 2.96Å; M131-T134 PolarHBondContact O-OG1 3.13Å; T132-T134 VanDerWaalsContact C-N 3.25Å; T132-T134 PolarHBondContact O-N 2.82Å; T134-T136 WeakPolarHBondContact OG1-CB 3.48Å; T134-T136 PolarHBondContact OG1-N 3.22Å
135	L	66	Low	81.9	Confident	124 Å²	124	69.2 Å²	69.2	65%	0.649	36%	0.359	S	S	*	.	S	Bend	trans	-85.3	-1.2	166.3	-65.4	175.8	0	0	0	112.5	R130 E137	R130-L135 VanDerWaalsContact NH1-CD2 3.34Å; L135-E137 PolarHBondContact O-N 3.38Å
136	T	73.6	Confident	81.6	Confident	85 Å²	85	76 Å²	76	52%	0.521	39%	0.388	S	S	.	.	P	Polyproline II helix	trans	-69.5	118.4	179.5	-50.6	0	0	0	0	108.9	R130 M131 T134	R130-T136 WeakPolarHBondContact CA-O 3.44Å; M131-T136 PolarHBondContact N-O 3.14Å; T134-T136 WeakPolarHBondContact OG1-CB 3.48Å; T134-T136 PolarHBondContact OG1-N 3.22Å
137	E	84.2	Confident	81.2	Confident	72 Å²	72	76.7 Å²	76.7	34%	0.336	39%	0.391	S	S	.	.	B	Isolated β-bridge	trans	-64.5	138.1	172.2	-52.8	-171.8	178.9	0	0	110	R98 P128 Q129 L135 D139	R98-E137 WeakPolarHBondContact CD-OE2 3.21Å; R98-E137 IonicContact CZ-OE2 2.96Å; R98-E137 IonicContact NE-OE2 3.24Å; R98-E137 VanDerWaalsContact NH1-CB 3.3Å; R98-E137 IonicContact NH1-OE2 3.18Å; R98-E137 PolarHBondContact NH1-OE2 2.59Å; P128-E137 HydrophobicContact CB-CB 4.34Å; P128-E137 HydrophobicContact CB-CG 3.74Å; Q129-E137 CarbonylContact O-C 3.6Å; Q129-E137 WeakPolarHBondContact O-CA 3.27Å; L135-E137 PolarHBondContact O-N 3.38Å; E137-D139 PolarHBondContact O-N 2.82Å
138	A	82.5	Confident	80.7	Confident	9 Å²	9	82.4 Å²	82.4	7%	0.074	41%	0.412	C	S	.	.	P	Polyproline II helix	trans	-67.8	125.5	176.8	0	0	0	0	0	109.7	R98 Q129 M131 L141	R98-A138 PolarHBondContact NH1-O 2.82Å; R98-A138 VanDerWaalsContact NH1-O 3.16Å; R98-A138 PolarHBondContact NH2-O 2.98Å; Q129-A138 HydrophobicContact CB-CB 4.43Å; Q129-A138 PolarHBondContact O-N 3.47Å; M131-A138 HydrophobicContact CG-CB 4.36Å; A138-L141 HydrophobicContact CB-CD2 3.85Å
139	D	85.3	Confident	80.3	Confident	113 Å²	113	86 Å²	86	60%	0.604	43%	0.426	S	S	*	.	S	Bend	trans	-80.1	-21.7	170.3	-65.6	-42.9	0	0	0	112.6	E13 R98 E137	E13-D139 PolarHBondContact N-O 3.45Å; R98-D139 IonicContact CZ-OD1 3.13Å; R98-D139 VanDerWaalsContact NH2-CA 3.29Å; R98-D139 IonicContact NH2-OD1 3.28Å; R98-D139 PolarHBondContact NH2-OD1 2.88Å; E137-D139 PolarHBondContact O-N 2.82Å
140	K	89.4	Confident	79.5	Confident	115 Å²	115	85.7 Å²	85.7	50%	0.5	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	131.7	178.6	-173	177	177.3	-176.2	0	110.9	E13	E13-K140 HydrophobicContact CB-CB 4.47Å; E13-K140 HydrophobicContact CB-CG 4.28Å; E13-K140 CarbonylContact O-C 3.57Å; E13-K140 VanDerWaalsContact O-CA 3.24Å; E13-K140 WeakPolarHBondContact O-CA 3.2Å
141	L	91.2	Very high	78.6	Confident	22 Å²	22	84.6 Å²	84.6	12%	0.115	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	132.9	172.4	-61.5	176.4	0	0	0	109.3	V12 E13 V14 L15 I125 L127 Q129 A138	V12-L141 HydrophobicContact CG2-CD1 3.95Å; V12-L141 HydrophobicContact CG2-CG 3.8Å; E13-L141 PolarHBondContact O-N 2.85Å; V14-L141 WeakPolarHBondContact CA-O 3.17Å; V14-L141 HydrophobicContact CG1-CB 4.39Å; V14-L141 HydrophobicContact CG2-CB 4.37Å; V14-L141 HydrophobicContact CG2-CD1 4.41Å; L15-L141 PolarHBondContact N-O 2.81Å; I125-L141 HydrophobicContact CG2-CD1 3.75Å; L127-L141 HydrophobicContact CD2-CD1 4.09Å; Q129-L141 HydrophobicContact CB-CD1 4.35Å; Q129-L141 HydrophobicContact CB-CD2 3.64Å; Q129-L141 HydrophobicContact CG-CD1 3.94Å; Q129-L141 HydrophobicContact CG-CD2 3.9Å; A138-L141 HydrophobicContact CB-CD2 3.85Å
142	E	91.7	Very high	77.6	Confident	104 Å²	104	85.2 Å²	85.2	49%	0.486	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	122.5	172.8	-169.2	176.8	133.6	0	0	109.1	L15 K17	L15-E142 HydrophobicContact CD2-CG 4.3Å; L15-E142 CarbonylContact O-C 3.55Å; L15-E142 WeakPolarHBondContact O-CA 3.37Å; K17-E142 HydrophobicContact CD-CG 4.35Å; K17-E142 WeakPolarHBondContact CD-OE1 3.15Å; K17-E142 WeakPolarHBondContact CE-OE1 3.4Å; K17-E142 IonicContact NZ-OE1 2.61Å; K17-E142 PolarHBondContact NZ-OE1 3.27Å; K17-E142 IonicContact NZ-OE2 2.72Å
143	I	91.6	Very high	76.6	Confident	38 Å²	38	85.9 Å²	85.9	20%	0.195	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	117.4	-173.5	-56.4	177.9	0	0	0	109	V14 L15 I16 K17 I123 I125	V14-I143 HydrophobicContact CG1-CD1 3.88Å; V14-I143 HydrophobicContact CG1-CG1 4.43Å; L15-I143 PolarHBondContact O-N 2.86Å; I16-I143 CarbonylContact C-O 3.54Å; I16-I143 WeakPolarHBondContact CA-O 3.47Å; K17-I143 PolarHBondContact N-O 3.41Å; I123-I143 HydrophobicContact CD1-CG2 3.9Å; I123-I143 HydrophobicContact CG1-CG2 4.24Å; I123-I143 HydrophobicContact CG2-CD1 3.8Å; I123-I143 HydrophobicContact CG2-CG2 4.21Å; I125-I143 HydrophobicContact CD1-CD1 3.55Å; I125-I143 HydrophobicContact CG1-CD1 3.85Å
144	T	89.5	Confident	75.9	Confident	76 Å²	76	83.8 Å²	83.8	47%	0.466	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	127.3	169.5	-48.7	0	0	0	0	110.2
145	C	88.4	Confident	75	Confident	11 Å²	11	86.3 Å²	86.3	7%	0.074	46%	0.455	C	S	.	.			trans	-68.3	143.9	-178.4	-58.9	0	0	0	0	111.5	I16 K17 M120 Y147	I16-C145 WeakPolarHBondContact CG2-SG 3.39Å; K17-C145 PolarHBondContact O-N 3.32Å; K17-C145 PolarHBondContact O-SG 3.34Å; M120-C145 HydrophobicContact CE-CB 3.8Å; M120-C145 WeakPolarHBondContact CE-SG 3.36Å; M120-C145 HydrophobicContact CG-CB 4.14Å; M120-C145 HydrophobicContact SD-CB 3.88Å; M120-C145 VanDerWaalsContact SD-SG 3.63Å; C145-Y147 HydrophobicContact CB-CE2 3.76Å
146	K	88.1	Confident	73.7	Confident	144 Å²	144	87.1 Å²	87.1	63%	0.626	47%	0.466	S	S	*	.			trans	-108.3	150.3	169.3	-64	-171.1	179.4	-172.3	0	109.4	V121	V121-K146 HydrophobicContact CB-CB 4.26Å; V121-K146 WeakPolarHBondContact CB-O 3.43Å; V121-K146 HydrophobicContact CG2-CB 4.15Å; V121-K146 PolarHBondContact N-O 2.9Å
147	Y	85.7	Confident	72.1	Confident	27 Å²	27	87.9 Å²	87.9	11%	0.106	48%	0.475	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	148.9	-176.5	-64.2	-91.7	0	0	0	110.7	T18 Y26 I29 H119 M120 C145	T18-Y147 WeakPolarHBondContact CB-OH 3.46Å; T18-Y147 WeakPolarHBondContact O-CE2 3.35Å; T18-Y147 PolarHBondContact O-OH 3.41Å; Y26-Y147 HydrophobicContact CD2-CD1 4.27Å; Y26-Y147 AromaticContact CD2-CD2 3.52Å; Y26-Y147 HydrophobicContact CD2-CD2 3.52Å; Y26-Y147 HydrophobicContact CD2-CE2 4.05Å; Y26-Y147 AromaticContact CD2-CG 3.66Å; Y26-Y147 HydrophobicContact CD2-CG 3.66Å; Y26-Y147 AromaticContact CE2-CD2 3.31Å; Y26-Y147 HydrophobicContact CE2-CD2 3.31Å; Y26-Y147 HydrophobicContact CE2-CE2 4.1Å; Y26-Y147 AromaticContact CE2-CG 3.69Å; Y26-Y147 HydrophobicContact CE2-CG 3.69Å; Y26-Y147 HydrophobicContact CG-CG 4.47Å; I29-Y147 HydrophobicContact CB-CE1 4.38Å; I29-Y147 HydrophobicContact CD1-CE1 4.13Å; I29-Y147 HydrophobicContact CD1-CE2 4.34Å; I29-Y147 HydrophobicContact CG2-CD1 4.26Å; I29-Y147 HydrophobicContact CG2-CE1 3.82Å; H119-Y147 CarbonylContact O-C 3.54Å; H119-Y147 WeakPolarHBondContact O-CA 3.43Å; M120-Y147 HydrophobicContact CB-CD1 3.96Å; M120-Y147 HydrophobicContact CB-CE1 3.69Å; M120-Y147 HydrophobicContact CG-CE1 4.08Å; C145-Y147 HydrophobicContact CB-CE2 3.76Å
148	R	82	Confident	69.8	Low	124 Å²	124	93.1 Å²	93.1	47%	0.468	50%	0.499	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	131.1	174.8	-174	-179.2	-76	-175.8	-6.8	108.5	Y118 H119 V121	Y118-R148 WeakPolarHBondContact CA-O 3.23Å; H119-R148 PolarHBondContact N-O 2.84Å; H119-R148 PolarHBondContact O-N 2.79Å; V121-R148 HydrophobicContact CG2-CB 4.48Å
149	E	80.9	Confident	67.9	Low	107 Å²	107	97.9 Å²	97.9	50%	0.5	53%	0.529	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	137	175.8	-166.2	168.4	-159.6	0	0	110.3	N117 Y118	N117-E149 CarbonylContact O-C 3.51Å; N117-E149 WeakPolarHBondContact O-CA 3.42Å; N117-E149 WeakPolarHBondContact O-CG 3.3Å; Y118-E149 HydrophobicContact CD1-CB 4.04Å; Y118-E149 HydrophobicContact CD1-CG 4.49Å; Y118-E149 HydrophobicContact CE1-CB 3.69Å; Y118-E149 HydrophobicContact CE1-CG 4.05Å; Y118-E149 HydrophobicContact CE2-CG 4.33Å
150	I	69.7	Low	65.8	Low	55 Å²	55	98 Å²	98	28%	0.282	54%	0.536	S	S	.	.			trans	-74.6	125.2	172.4	-52.9	169	0	0	0	106.5	N117 H119 M152	N117-I150 WeakPolarHBondContact O-CG1 3.19Å; N117-I150 PolarHBondContact O-N 2.71Å; H119-I150 WeakPolarHBondContact NE2-CD1 3.32Å; I150-M152 PolarHBondContact O-N 2.96Å
151	P	60.8	Low	63.3	Low	115 Å²	115	98.3 Å²	98.3	75%	0.747	55%	0.55	S	S	*	*			trans	-57.4	111.1	174.8	-20.8	31	0	0	0	109.9	T153	P151-T153 PolarHBondContact O-N 3.4Å; P151-T153 VanDerWaalsContact O-N 3.13Å
152	M	49.4	Very low	60.6	Low	129 Å²	129	102.5 Å²	102.5	64%	0.635	58%	0.581	S	S	*	*	P	Polyproline II helix	trans	-63.7	116.5	171.1	-79.3	-177.4	66	0	0	107.9	I150 P154	I150-M152 PolarHBondContact O-N 2.96Å; M152-P154 WeakPolarHBondContact O-CD 3.44Å
153	T	45.6	Very low	57.8	Low	130 Å²	130	103.9 Å²	103.9	80%	0.798	60%	0.597	S	S	*	*	P	Polyproline II helix	trans	-66.4	122.4	162.3	-46.1	0	0	0	0	106.2	P151	P151-T153 PolarHBondContact O-N 3.4Å; P151-T153 VanDerWaalsContact O-N 3.13Å
154	P	40.3	Very low	54.8	Low	100 Å²	100	108 Å²	108	65%	0.649	62%	0.624	S	S	*	*	P	Polyproline II helix	trans	-55.9	140.9	-175.9	18.9	-29.7	0	0	0	109.7	M152 T156	M152-P154 WeakPolarHBondContact O-CD 3.44Å; P154-T156 PolarHBondContact O-N 3.17Å; P154-T156 VanDerWaalsContact O-N 3.12Å
155	P	38.2	Very low	51.9	Low	112 Å²	112	110.3 Å²	110.3	73%	0.727	64%	0.638	S	S	*	*	P	Polyproline II helix	trans	-55	125	179.5	21.4	-30.8	0	0	0	108.6	S157	P155-S157 PolarHBondContact O-N 2.79Å
156	T	39.9	Very low	49.1	Very low	141 Å²	141	115.3 Å²	115.3	87%	0.865	67%	0.669	S	S	*	*			trans	-51.9	105.9	171.1	-49.2	0	0	0	0	107	P154 E158	P154-T156 PolarHBondContact O-N 3.17Å; P154-T156 VanDerWaalsContact O-N 3.12Å; T156-E158 PolarHBondContact O-N 2.76Å
157	S	39.9	Very low	46.1	Very low	102 Å²	102	114.7 Å²	114.7	71%	0.713	68%	0.677	S	S	*	*	P	Polyproline II helix	trans	-56.5	118.4	179	54.1	0	0	0	0	108	P155	P155-S157 PolarHBondContact O-N 2.79Å
158	E	35.8	Very low	43.5	Very low	181 Å²	181	119.6 Å²	119.6	85%	0.846	71%	0.71	S	S	*	*	P	Polyproline II helix	trans	-53.6	131.3	171.4	-158.4	171	-162.1	0	0	108.1	T156	T156-E158 PolarHBondContact O-N 2.76Å
159	P	42.8	Very low	40.8	Very low	109 Å²	109	120 Å²	120	71%	0.708	73%	0.726	S	S	*	*	P	Polyproline II helix	trans	-60	142.1	-175	-15.7	27.2	0	0	0	109.8
160	P	41.7	Very low	38.5	Very low	116 Å²	116	124.8 Å²	124.8	75%	0.753	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-59.1	147.1	179.4	24.5	-31.8	0	0	0	110.4	S162	P160-S162 PolarHBondContact O-N 2.88Å
161	P	37.2	Very low	36.6	Very low	122 Å²	122	127.5 Å²	127.5	79%	0.792	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-60.9	124.8	-171.2	23.4	-32.2	0	0	0	110.6	T163	P161-T163 PolarHBondContact O-N 2.77Å; P161-T163 VanDerWaalsContact O-N 3.13Å
162	S	33.3	Very low	34.9	Very low	110 Å²	110	128.2 Å²	128.2	77%	0.769	77%	0.771	S	S	*	*			trans	-52.5	112.4	174.4	35.8	0	0	0	0	110.8	P160 T164	P160-S162 PolarHBondContact O-N 2.88Å; S162-T164 PolarHBondContact O-N 2.97Å; S162-T164 VanDerWaalsContact O-N 3.12Å
163	T	32.2	Very low	34	Very low	132 Å²	132	131.1 Å²	131.1	81%	0.81	78%	0.783	S	S	*	*			trans	-74.5	100.5	168.5	16.8	0	0	0	0	108.5	P161 T165	P161-T163 PolarHBondContact O-N 2.77Å; P161-T163 VanDerWaalsContact O-N 3.13Å; T163-T165 PolarHBondContact O-N 3.08Å
164	T	28.5	Very low	33.2	Very low	126 Å²	126	130.1 Å²	130.1	77%	0.773	78%	0.78	S	S	*	*			trans	-59.4	99	172.6	-43.7	0	0	0	0	109.5	S162	S162-T164 PolarHBondContact O-N 2.97Å; S162-T164 VanDerWaalsContact O-N 3.12Å
165	T	29.6	Very low	32.9	Very low	124 Å²	124	130.6 Å²	130.6	76%	0.761	78%	0.783	S	S	*	*			trans	-96.1	111.7	166.7	-46.7	0	0	0	0	107.8	T163 T167	T163-T165 PolarHBondContact O-N 3.08Å; T165-T167 PolarHBondContact O-N 3.34Å
166	T	29.3	Very low	32.6	Very low	116 Å²	116	132.8 Å²	132.8	71%	0.712	79%	0.786	S	S	*	*			trans	-64.7	117.5	-176.5	-41.6	0	0	0	0	110.7	T168	T166-T168 PolarHBondContact O-N 3.44Å
167	T	26.2	Very low	31.9	Very low	130 Å²	130	131.8 Å²	131.8	80%	0.798	78%	0.78	S	S	*	*			trans	-74.2	100.6	172.7	-39.2	0	0	0	0	109.4	T165	T165-T167 PolarHBondContact O-N 3.34Å
168	T	30.6	Very low	31.5	Very low	130 Å²	130	133.8 Å²	133.8	80%	0.798	78%	0.783	S	S	*	*			trans	-95	112.9	165	-10.7	0	0	0	0	109	T166	T166-T168 PolarHBondContact O-N 3.44Å
169	T	25.8	Very low	31.1	Very low	133 Å²	133	129.5 Å²	129.5	82%	0.816	77%	0.773	S	S	*	*			trans	-62.5	126.8	173.4	42.1	0	0	0	0	110.3
170	K	31.6	Very low	30.5	Very low	208 Å²	208	129.9 Å²	129.9	90%	0.904	78%	0.778	S	S	*	*			trans	-122.5	128.6	165.7	-149.3	178.4	-174.5	-176.8	0	109.9
171	S	29.7	Very low	29.9	Very low	111 Å²	111	127.8 Å²	127.8	78%	0.776	78%	0.778	S	S	*	*			trans	-59.3	148.5	-176.4	-173.6	0	0	0	0	113.7
172	T	25.4	Very low	29.8	Very low	130 Å²	130	128.2 Å²	128.2	80%	0.798	78%	0.78	S	S	*	*			trans	-57.7	141.9	171.4	46.8	0	0	0	0	114.9
173	E	29.6	Very low	29.4	Very low	190 Å²	190	134.2 Å²	134.2	89%	0.888	79%	0.786	S	S	*	*			trans	-161.1	147.3	131.2	-158.1	160	-175.4	0	0	111
174	P	30.3	Very low	29.2	Very low	110 Å²	110	136.8 Å²	136.8	71%	0.714	79%	0.786	S	S	*	*			trans	-108.9	-151.4	-157.7	41.8	-29.1	0	0	0	114.3
175	P	33.1	Very low	29.3	Very low	110 Å²	110	137.9 Å²	137.9	71%	0.714	79%	0.787	S	S	*	*				-118.6	160.2	-101.1	37.7	-19.9	0	0	0	114.5
176	I	32.5	Very low	29.1	Very low	157 Å²	157	139.5 Å²	139.5	81%	0.805	79%	0.79	S	S	*	*			trans	-142.7	97.8	167.8	-59.5	-180	0	0	0	105.9
177	T	25.9	Very low	29.3	Very low	120 Å²	120	138.7 Å²	138.7	74%	0.736	79%	0.787	S	S	*	*				45.2	99.6	93.8	67.7	0	0	0	0	115.3
178	D	29.5	Very low	29.4	Very low	144 Å²	144	141.8 Å²	141.8	77%	0.77	79%	0.79	S	S	*	*				-171.8	118.6	126.2	-125.5	-3.2	0	0	0	106.9
179	S	29.3	Very low	29.3	Very low	91 Å²	91	142.1 Å²	142.1	64%	0.636	79%	0.792	S	S	*	*				66	124	95.8	-60.5	0	0	0	0	110.2
180	S	28.9	Very low	29.2	Very low	117 Å²	117	144 Å²	144	82%	0.818	80%	0.795	S	S	*	*			cis	145	132.8	34.4	47.5	0	0	0	0	101.8
181	G	30.4	Very low	28.9	Very low	72 Å²	72	137.4 Å²	137.4	74%	0.742	79%	0.786	S	S	*	*			trans	161	128.6	166.8	0	0	0	0	0	113.1
182	P	34.7	Very low	28.8	Very low	131 Å²	131	138.4 Å²	138.4	85%	0.851	79%	0.788	S	S	*	*			trans	-103.8	148.5	-133.8	35.5	-29.2	0	0	0	114.9
183	R	23.6	Very low	28.8	Very low	237 Å²	237	138.1 Å²	138.1	89%	0.894	79%	0.788	S	S	*	*			trans	-54.3	128.1	154.2	-173.2	-177.9	-164.2	173.1	4.3	111.6
184	K	29.3	Very low	28.7	Very low	185 Å²	185	135.2 Å²	135.2	80%	0.804	79%	0.789	S	S	*	*			trans	171.2	126.3	158.1	-100.5	172.3	-178	-174.9	0	105.4
185	D	30.9	Very low	28.6	Very low	149 Å²	149	133.7 Å²	133.7	80%	0.797	79%	0.792	S	S	*	*			cis	-150.5	143.6	35.6	-73.9	-52.8	0	0	0	111.5
186	L	24.9	Very low	28.2	Very low	158 Å²	158	132.3 Å²	132.3	83%	0.827	80%	0.799	S	S	*	*			trans	-111.3	173.2	158.9	-94	127.5	0	0	0	106
187	P	34.4	Very low	28.1	Very low	100 Å²	100	134.1 Å²	134.1	65%	0.649	80%	0.804	S	S	*	*				-123.2	-161.9	-60.3	33.2	-13.4	0	0	0	109
188	K	26.9	Very low	27.9	Very low	194 Å²	194	131.7 Å²	131.7	84%	0.843	80%	0.803	S	S	*	*			trans	105.5	122.5	176.6	-60.6	165.4	179	-177.7	0	109.8
189	T	28.9	Very low	28	Very low	138 Å²	138	130.3 Å²	130.3	85%	0.847	80%	0.801	S	S	*	*				-164.3	142.5	64	-42.9	0	0	0	0	109.6
190	I	23	Very low	27.8	Very low	173 Å²	173	131.3 Å²	131.3	89%	0.887	81%	0.808	S	S	*	*			trans	-68.5	126.4	168.9	-70.3	159.6	0	0	0	108.3
191	G	26.8	Very low	27.6	Very low	68 Å²	68	136.2 Å²	136.2	70%	0.701	81%	0.81	S	S	*	*			trans	-149.2	99.2	179.6	0	0	0	0	0	111.7
192	T	26.4	Very low	27.4	Very low	133 Å²	133	137.4 Å²	137.4	82%	0.816	81%	0.808	S	S	*	*			trans	-6.3	142	161.5	-34.7	0	0	0	0	119.6
193	P	25.8	Very low	26.9	Very low	123 Å²	123	134.5 Å²	134.5	80%	0.799	80%	0.801	S	S	*	*			trans	-83.8	135.2	-177.5	33.9	-33.9	0	0	0	112.8
194	S	27.5	Very low	26.9	Very low	130 Å²	130	132.4 Å²	132.4	91%	0.909	80%	0.799	S	S	*	*			trans	-172.1	136.8	157.1	-162.7	0	0	0	0	111.2
195	G	28.6	Very low	26.6	Very low	77 Å²	77	132.3 Å²	132.3	79%	0.794	80%	0.801	S	S	*	*			trans	93.2	108.3	175	0	0	0	0	0	111.5
196	G	23.8	Very low	26.2	Very low	82 Å²	82	133.1 Å²	133.1	85%	0.845	80%	0.804	S	S	*	*			cis	92.2	64.5	41.1	0	0	0	0	0	108.8
197	E	29.7	Very low	26.2	Very low	195 Å²	195	131.2 Å²	131.2	91%	0.911	80%	0.802	S	S	*	*			trans	-131.5	124	163.7	-99	-176.7	167.5	0	0	109.1
198	G	23.7	Very low	25.7	Very low	69 Å²	69	131.4 Å²	131.4	71%	0.711	81%	0.805	S	S	*	*			trans	-73	-164	169.8	0	0	0	0	0	112.1
199	P	29.7	Very low	25.6	Very low	114 Å²	114	128.7 Å²	128.7	74%	0.74	81%	0.805	S	S	*	*				-91.1	141	-114.8	33.2	-34	0	0	0	112.4	Y201	P199-Y201 HydrophobicContact CB-CD2 4.25Å; P199-Y201 HydrophobicContact CB-CE2 4.15Å
200	S	25.1	Very low	25.4	Very low	112 Å²	112	129.4 Å²	129.4	78%	0.783	80%	0.804	S	S	*	*			trans	-119.9	102.2	156.1	-170.7	0	0	0	0	107.7	S202	S200-S202 PolarHBondContact O-N 3.45Å
201	Y	25	Very low	25.4	Very low	220 Å²	220	130 Å²	130	86%	0.863	80%	0.803	S	S	*	*			trans	-66.1	82.8	166.1	-76.3	-93.9	0	0	0	107.9	P199 G203	P199-Y201 HydrophobicContact CB-CD2 4.25Å; P199-Y201 HydrophobicContact CB-CE2 4.15Å; Y201-G203 PolarHBondContact O-N 2.97Å
202	S	26.5	Very low	25.2	Very low	98 Å²	98	134.3 Å²	134.3	69%	0.685	81%	0.809	S	S	*	*			trans	-80.9	104.1	164.4	-170.4	0	0	0	0	106.6	S200 K204	S200-S202 PolarHBondContact O-N 3.45Å; S202-K204 PolarHBondContact O-N 3.04Å
203	G	23.7	Very low	25	Very low	70 Å²	70	135.9 Å²	135.9	72%	0.722	81%	0.811	S	S	*	*			trans	-50.8	101.9	170.6	0	0	0	0	0	109.4	Y201 E205	Y201-G203 PolarHBondContact O-N 2.97Å; G203-E205 PolarHBondContact O-N 2.89Å
204	K	24.9	Very low	24.8	Very low	193 Å²	193	135.5 Å²	135.5	84%	0.839	81%	0.808	S	S	*	*			trans	-83	106.5	161.8	-78.5	-170	175.5	-176.9	0	105.1	S202 L206	S202-K204 PolarHBondContact O-N 3.04Å; K204-L206 PolarHBondContact O-N 3.06Å
205	E	22.6	Very low	24.6	Very low	183 Å²	183	131.7 Å²	131.7	86%	0.855	79%	0.789	S	S	*	*			trans	-33.3	119.8	164.7	-65.9	174.6	150.8	0	0	109.2	G203 P207	G203-E205 PolarHBondContact O-N 2.89Å; E205-P207 WeakPolarHBondContact O-CD 3.24Å
206	L	22.1	Very low	24.4	Very low	165 Å²	165	133 Å²	133	86%	0.864	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-53	122.7	168	-82.4	141.7	0	0	0	106.7	K204 S208	K204-L206 PolarHBondContact O-N 3.06Å; L206-S208 PolarHBondContact O-N 2.67Å; L206-S208 VanDerWaalsContact O-N 3.1Å
207	P	25	Very low	24.9	Very low	119 Å²	119	132.6 Å²	132.6	77%	0.773	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-55.4	124.3	173.3	20.7	-28.7	0	0	0	107.6	E205 T209	E205-P207 WeakPolarHBondContact O-CD 3.24Å; P207-T209 PolarHBondContact O-N 3.22Å
208	S	24.4	Very low	24.8	Very low	103 Å²	103	125.6 Å²	125.6	72%	0.72	74%	0.74	S	S	*	*	P	Polyproline II helix	trans	-49	121.5	176.3	51	0	0	0	0	109.2	L206 N210	L206-S208 PolarHBondContact O-N 2.67Å; L206-S208 VanDerWaalsContact O-N 3.1Å; S208-N210 PolarHBondContact O-N 2.89Å
209	T	24	Very low	24.9	Very low	138 Å²	138	126.8 Å²	126.8	85%	0.847	75%	0.753	S	S	*	*	S	Bend	trans	-47.6	95.6	167.1	40.4	0	0	0	0	109.8	P207	P207-T209 PolarHBondContact O-N 3.22Å
210	N	24.7	Very low	24.8	Very low	153 Å²	153	124 Å²	124	82%	0.818	75%	0.745	S	S	*	*			trans	-159.6	23.1	170.3	-118.6	23.1	0	0	0	113.2	S208	S208-N210 PolarHBondContact O-N 2.89Å
211	E	24.3	Very low	25.1	Very low	184 Å²	184	126.4 Å²	126.4	86%	0.86	75%	0.748	S	S	*	*			trans	-132.7	140.5	173.3	-69	-172.8	169.2	0	0	108.6
212	L	22.2	Very low	25.4	Very low	160 Å²	160	121.5 Å²	121.5	84%	0.838	75%	0.746	S	S	*	*			trans	92.2	82.5	-177.2	-52.4	167.3	0	0	0	114.5
213	I	21.9	Very low	25.8	Very low	166 Å²	166	120.4 Å²	120.4	85%	0.851	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-59.8	142.1	163.3	-63.5	166.8	0	0	0	108.5
214	P	22.4	Very low	26.8	Very low	115 Å²	115	127.9 Å²	127.9	75%	0.747	75%	0.752	S	S	*	*	P	Polyproline II helix	trans	-75.6	154.1	-161.2	-8.2	25.9	0	0	0	113.4
215	G	22	Very low	28	Very low	49 Å²	49	119.5 Å²	119.5	51%	0.505	72%	0.718	S	S	.	*	P	Polyproline II helix	trans	-58.1	166	169	0	0	0	0	0	113.5	L217 D290	G215-L217 PolarHBondContact O-N 3.33Å; G215-D290 WeakPolarHBondContact CA-OD1 3.42Å
216	V	25.3	Very low	29.8	Very low	106 Å²	106	112.7 Å²	112.7	64%	0.642	69%	0.693	S	S	*	*	S	Bend	trans	-69.1	45.9	-175.1	167	0	0	0	0	113.9	D290	V216-D290 HydrophobicContact CB-CB 3.59Å; V216-D290 WeakPolarHBondContact CB-OD1 3.19Å; V216-D290 WeakPolarHBondContact CB-OD2 3.22Å; V216-D290 HydrophobicContact CG1-CB 4.17Å; V216-D290 HydrophobicContact CG2-CB 4.09Å; V216-D290 VanDerWaalsContact CG2-OD1 3.3Å; V216-D290 WeakPolarHBondContact CG2-OD1 3.36Å; V216-D290 WeakPolarHBondContact CG2-OD2 3.4Å; V216-D290 PolarHBondContact N-OD1 3.29Å
217	L	33.9	Very low	32.8	Very low	72 Å²	72	111.4 Å²	111.4	38%	0.377	69%	0.687	S	S	.	*	S	Bend	trans	-106.9	85.2	160.4	-71.3	165.3	0	0	0	107.9	G215	G215-L217 PolarHBondContact O-N 3.33Å
218	G	27.3	Very low	36.1	Very low	49 Å²	49	107.6 Å²	107.6	51%	0.505	66%	0.664	S	S	.	*			trans	71	59	159.6	0	0	0	0	0	115.6	G220 K368	G218-G220 PolarHBondContact O-N 3.01Å; G218-K368 VanDerWaalsContact N-NZ 3.13Å
219	G	25.1	Very low	39.5	Very low	94 Å²	94	103 Å²	103	97%	0.969	63%	0.631	S	S	*	*			trans	-69.6	83.7	158.5	0	0	0	0	0	110
220	G	28.4	Very low	43	Very low	56 Å²	56	99 Å²	99	58%	0.577	60%	0.604	S	S	*	*	S	Bend	trans	-158.9	118	174.9	0	0	0	0	0	108.9	G218 S222	G218-G220 PolarHBondContact O-N 3.01Å; G220-S222 PolarHBondContact O-N 3.4Å
221	D	31.2	Very low	46.5	Very low	161 Å²	161	91.7 Å²	91.7	86%	0.861	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-34.2	123	-177.4	-64.4	-48.3	0	0	0	114.5	A223	D221-A223 VanDerWaalsContact C-N 3.33Å; D221-A223 PolarHBondContact O-N 3.49Å
222	S	32.6	Very low	50.1	Low	117 Å²	117	84.1 Å²	84.1	82%	0.818	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.5	25.9	152	-38.3	0	0	0	0	118.3	G220 Y224	G220-S222 PolarHBondContact O-N 3.4Å; S222-Y224 PolarHBondContact O-N 3.11Å; S222-Y224 VanDerWaalsContact O-N 3.11Å
223	A	34.5	Very low	53.7	Low	76 Å²	76	76.5 Å²	76.5	63%	0.628	49%	0.492	S	S	*	.			trans	-69.4	107.7	162.8	0	0	0	0	0	108	D221 A225	D221-A223 VanDerWaalsContact C-N 3.33Å; D221-A223 PolarHBondContact O-N 3.49Å; A223-A225 VanDerWaalsContact C-N 3.29Å; A223-A225 PolarHBondContact O-N 3.41Å
224	Y	43.7	Very low	57.3	Low	227 Å²	227	69.5 Å²	69.5	89%	0.89	46%	0.455	S	S	*	.			trans	-58.5	97	165.9	-97.3	-98.3	0	0	0	107.2	S222 A226	S222-Y224 PolarHBondContact O-N 3.11Å; S222-Y224 VanDerWaalsContact O-N 3.11Å; Y224-A226 PolarHBondContact O-N 2.89Å
225	A	50.8	Low	60.7	Low	17 Å²	17	64 Å²	64	14%	0.14	42%	0.42	C	S	.	.			trans	-54.6	132.2	163.7	0	0	0	0	0	106.8	A223 D227	A223-A225 VanDerWaalsContact C-N 3.29Å; A223-A225 PolarHBondContact O-N 3.41Å; A225-D227 PolarHBondContact O-N 2.84Å
226	A	61.2	Low	64	Low	39 Å²	39	62.9 Å²	62.9	32%	0.322	40%	0.401	S	S	.	.			trans	-55.4	141.3	179.4	0	0	0	0	0	110	Y224 S228 T334 T376	Y224-A226 PolarHBondContact O-N 2.89Å; A226-S228 WeakPolarHBondContact CB-O 3.42Å; A226-S228 PolarHBondContact O-N 3.02Å; A226-T334 WeakPolarHBondContact O-CB 3.26Å; A226-T334 WeakPolarHBondContact O-CG2 3.34Å; A226-T334 PolarHBondContact O-OG1 2.87Å; A226-T376 HydrophobicContact CB-CG2 3.59Å
227	D	84.7	Confident	67.2	Low	138 Å²	138	60.3 Å²	60.3	74%	0.738	38%	0.381	S	S	*	.	S	Bend	trans	-65.2	-21.3	-179	-66.6	-37.4	0	0	0	112	A225 P333 T334	A225-D227 PolarHBondContact O-N 2.84Å; D227-P333 WeakPolarHBondContact O-CA 3.36Å; D227-T334 PolarHBondContact O-N 2.94Å; D227-T334 PolarHBondContact O-OG1 2.89Å
228	S	93.1	Very high	69.9	Low	40 Å²	40	57 Å²	57	28%	0.28	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	160.4	177.6	61.4	0	0	0	0	113.1	A226 L332	A226-S228 WeakPolarHBondContact CB-O 3.42Å; A226-S228 PolarHBondContact O-N 3.02Å; S228-L332 CarbonylContact C-O 3.49Å; S228-L332 WeakPolarHBondContact CA-O 3.41Å; S228-L332 WeakPolarHBondContact CB-O 3.36Å
229	V	96.4	Very high	72.9	Confident	5 Å²	5	55.6 Å²	55.6	3%	0.03	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	152.3	172.3	-64.4	0	0	0	0	110.8	V231 N331 L332 T334 M363 L365 L375 T376 I378	V229-V231 HydrophobicContact CG2-CG2 4.33Å; V229-N331 PolarHBondContact O-N 3Å; V229-L332 HydrophobicContact CG2-CB 4.04Å; V229-L332 PolarHBondContact N-O 3.43Å; V229-L332 PolarHBondContact O-N 2.67Å; V229-T334 HydrophobicContact CG1-CG2 3.68Å; V229-M363 HydrophobicContact CG2-CE 4.34Å; V229-L365 HydrophobicContact CG1-CD2 4.34Å; V229-L365 HydrophobicContact CG2-CD1 3.87Å; V229-L365 HydrophobicContact CG2-CD2 4.26Å; V229-L375 WeakPolarHBondContact CG1-O 3.42Å; V229-T376 CarbonylContact C-O 3.42Å; V229-T376 WeakPolarHBondContact CA-O 3.33Å; V229-I378 HydrophobicContact CB-CD1 4.1Å; V229-I378 HydrophobicContact CG1-CD1 4.11Å; V229-I378 HydrophobicContact CG2-CD1 4.11Å
230	D	97.7	Very high	75.9	Confident	54 Å²	54	53 Å²	53	29%	0.289	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	137.2	165.7	-65.3	-28.2	0	0	0	109	F329 T330 N331 T376 K377 I378	D230-F329 CarbonylContact C-O 3.55Å; D230-F329 WeakPolarHBondContact CA-O 3.46Å; D230-T330 WeakPolarHBondContact OD1-CA 3.35Å; D230-T330 WeakPolarHBondContact OD1-CB 3.49Å; D230-N331 PolarHBondContact OD1-N 3.12Å; D230-T376 PolarHBondContact N-O 2.97Å; D230-K377 CarbonylContact O-C 3.55Å; D230-K377 WeakPolarHBondContact O-CA 3.16Å; D230-I378 PolarHBondContact O-N 2.94Å
231	V	98.3	Very high	78.8	Confident	1 Å²	1	53.2 Å²	53.2	1%	0.006	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	124.9	-179.9	-177.6	0	0	0	0	109.5	V229 I233 N328 F329 L332 F346 M363 I378 L380	V229-V231 HydrophobicContact CG2-CG2 4.33Å; V231-I233 HydrophobicContact CG1-CG1 4.42Å; V231-N328 WeakPolarHBondContact O-CA 3.28Å; V231-F329 HydrophobicContact CB-CB 4.36Å; V231-F329 PolarHBondContact N-O 3.11Å; V231-F329 PolarHBondContact O-N 3.14Å; V231-L332 HydrophobicContact CB-CD1 4.36Å; V231-L332 HydrophobicContact CG2-CD1 3.72Å; V231-F346 HydrophobicContact CB-CZ 4.2Å; V231-F346 HydrophobicContact CG1-CE1 4.3Å; V231-F346 HydrophobicContact CG1-CE2 4.35Å; V231-F346 HydrophobicContact CG1-CZ 3.84Å; V231-F346 HydrophobicContact CG2-CZ 4.1Å; V231-M363 HydrophobicContact CG2-CE 3.65Å; V231-M363 HydrophobicContact CG2-SD 3.76Å; V231-I378 CarbonylContact C-O 3.48Å; V231-I378 VanDerWaalsContact CA-O 3.29Å; V231-I378 WeakPolarHBondContact CA-O 3.42Å; V231-I378 HydrophobicContact CG2-CB 4.21Å; V231-L380 HydrophobicContact CG1-CD1 3.72Å; V231-L380 HydrophobicContact CG1-CG 4.09Å
232	T	98.5	Very high	81.2	Confident	24 Å²	24	47.1 Å²	47.1	15%	0.147	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	120.8	169.3	-52.4	0	0	0	0	108.9	H234 N326 A327 N328 I378 H379 L380	T232-H234 VanDerWaalsContact CG2-CE1 3.44Å; T232-H234 WeakPolarHBondContact CG2-CE1 3.41Å; T232-N326 HydrophobicContact CG2-CB 4.23Å; T232-A327 WeakPolarHBondContact CA-O 3.35Å; T232-N328 WeakPolarHBondContact CG2-OD1 3.37Å; T232-N328 PolarHBondContact OG1-OD1 3.06Å; T232-N328 VanDerWaalsContact OG1-OD1 3.09Å; T232-I378 PolarHBondContact N-O 2.55Å; T232-H379 WeakPolarHBondContact O-CA 3.41Å; T232-L380 PolarHBondContact O-N 3.14Å
233	I	98.4	Very high	83.3	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	120.3	169.5	-62.3	-177.1	0	0	0	107.9	V231 F267 N326 A327 F329 F346 L361 L380 P382	V231-I233 HydrophobicContact CG1-CG1 4.42Å; I233-F267 HydrophobicContact CD1-CB 4.21Å; I233-F267 HydrophobicContact CD1-CD1 3.75Å; I233-F267 HydrophobicContact CD1-CD2 4.34Å; I233-F267 HydrophobicContact CD1-CE1 4.19Å; I233-F267 HydrophobicContact CD1-CG 3.84Å; I233-F267 HydrophobicContact CG2-CD2 4.37Å; I233-F267 HydrophobicContact CG2-CE1 4.19Å; I233-F267 HydrophobicContact CG2-CE2 3.91Å; I233-F267 HydrophobicContact CG2-CZ 3.83Å; I233-N326 CarbonylContact O-C 3.55Å; I233-N326 WeakPolarHBondContact O-CA 3.15Å; I233-A327 HydrophobicContact CB-CB 4.36Å; I233-A327 PolarHBondContact N-O 2.88Å; I233-A327 PolarHBondContact O-N 3.02Å; I233-F329 HydrophobicContact CD1-CD2 4.37Å; I233-F329 HydrophobicContact CD1-CE2 3.8Å; I233-F329 HydrophobicContact CG1-CE2 4.47Å; I233-F346 HydrophobicContact CD1-CB 3.91Å; I233-F346 HydrophobicContact CD1-CD1 3.79Å; I233-F346 HydrophobicContact CD1-CG 3.89Å; I233-L361 HydrophobicContact CD1-CD2 3.97Å; I233-L361 HydrophobicContact CG1-CD2 4.43Å; I233-L380 CarbonylContact C-O 3.55Å; I233-L380 WeakPolarHBondContact CA-O 3.21Å; I233-L380 HydrophobicContact CG1-CB 4.42Å; I233-P382 HydrophobicContact CG2-CG 3.44Å; I233-P382 VanDerWaalsContact CG2-CG 3.44Å
234	H	97	Very high	85	Confident	19 Å²	19	45.9 Å²	45.9	9%	0.088	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	103.6	175.8	-62	-73.1	0	0	0	110.2	T232 N326 H379 L380 Y381	T232-H234 VanDerWaalsContact CG2-CE1 3.44Å; T232-H234 WeakPolarHBondContact CG2-CE1 3.41Å; H234-N326 PolarHBondContact CE1-OD1 3.27Å; H234-N326 PolarHBondContact ND1-OD1 3.49Å; H234-H379 AromaticContact CD2-ND1 3.85Å; H234-H379 AromaticContact CE1-ND1 3.68Å; H234-H379 AromaticContact NE2-CE1 3.86Å; H234-H379 AromaticContact NE2-CG 3.61Å; H234-H379 AromaticContact NE2-ND1 2.8Å; H234-H379 PolarHBondContact NE2-ND1 2.71Å; H234-L380 PolarHBondContact N-O 2.96Å; H234-Y381 HydrophobicContact CB-CD1 3.46Å; H234-Y381 VanDerWaalsContact CB-CD1 3.46Å; H234-Y381 HydrophobicContact CB-CE1 3.4Å; H234-Y381 HydrophobicContact CB-CG 4.22Å; H234-Y381 AromaticContact CD2-CE1 3.59Å; H234-Y381 AromaticContact CD2-CE2 3.81Å; H234-Y381 AromaticContact CD2-CZ 3.34Å; H234-Y381 PolarHBondContact CD2-OH 3.25Å; H234-Y381 AromaticContact CG-CE1 3.58Å; H234-Y381 AromaticContact CG-CZ 3.84Å
235	K	94.6	Very high	86.2	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	24%	0.237	C	C	.	.			trans	-92.7	122.6	177	-158.4	66.5	172.4	177.6	0	111	G261 L262 I265 F267 T321 G325 E348 P382 N384	K235-G261 CarbonylContact O-C 3.56Å; K235-G261 WeakPolarHBondContact O-CA 3.22Å; K235-L262 HydrophobicContact CB-CB 4.35Å; K235-L262 HydrophobicContact CG-CB 3.9Å; K235-L262 HydrophobicContact CG-CD2 4.05Å; K235-L262 HydrophobicContact CG-CG 4.31Å; K235-L262 PolarHBondContact O-N 3Å; K235-I265 HydrophobicContact CG-CB 4.34Å; K235-I265 HydrophobicContact CG-CG1 4.05Å; K235-F267 HydrophobicContact CD-CE2 4.41Å; K235-F267 HydrophobicContact CD-CZ 4Å; K235-T321 HydrophobicContact CB-CG2 3.71Å; K235-G325 WeakPolarHBondContact CB-O 3.41Å; K235-G325 PolarHBondContact N-O 3.35Å; K235-G325 WeakPolarHBondContact O-CA 3.34Å; K235-E348 WeakPolarHBondContact CE-OE1 3.46Å; K235-E348 IonicContact NZ-OE1 3.06Å; K235-E348 PolarHBondContact NZ-OE1 3.17Å; K235-E348 IonicContact NZ-OE2 2.64Å; K235-E348 PolarHBondContact NZ-OE2 3.28Å; K235-P382 HydrophobicContact CD-CB 4.42Å; K235-P382 HydrophobicContact CD-CG 3.76Å; K235-N384 WeakPolarHBondContact CE-ND2 3.36Å; K235-N384 PolarHBondContact NZ-ND2 3.02Å; K235-N384 PolarHBondContact NZ-OD1 3.19Å
236	K	92.3	Very high	87.5	Confident	25 Å²	25	42.6 Å²	42.6	11%	0.109	25%	0.245	C	C	.	.	B	Isolated β-bridge	trans	-117.6	141.6	-175	-63	-56.1	-167	170.8	0	111	M238 F256 Y259 E260	K236-M238 HydrophobicContact CB-CE 4.17Å; K236-M238 PolarHBondContact O-N 3.28Å; K236-F256 WeakPolarHBondContact CE-O 3.27Å; K236-F256 HydrophobicContact CG-CB 4.3Å; K236-Y259 WeakPolarHBondContact CD-O 3.41Å; K236-Y259 PolarHBondContact NZ-O 2.78Å; K236-E260 CarbonylContact C-O 3.54Å; K236-E260 VanDerWaalsContact CA-O 3.32Å; K236-E260 WeakPolarHBondContact CA-O 3.25Å
237	K	90.6	Very high	88.6	Confident	53 Å²	53	46.3 Å²	46.3	23%	0.23	26%	0.256	C	S	.	.			trans	-69.6	125.1	169.9	-64.4	-173.3	-168.7	167.9	0	108.9	E260 G261 L262	K237-E260 HydrophobicContact CD-CB 4.25Å; K237-E260 WeakPolarHBondContact CD-OE2 3.35Å; K237-E260 WeakPolarHBondContact CE-OE2 3.28Å; K237-E260 PolarHBondContact N-O 2.88Å; K237-E260 IonicContact NZ-OE1 2.82Å; K237-E260 PolarHBondContact NZ-OE1 3.1Å; K237-E260 IonicContact NZ-OE2 3.8Å; K237-E260 PolarHBondContact NZ-OE2 3.34Å; K237-G261 WeakPolarHBondContact CE-O 3.45Å; K237-L262 HydrophobicContact CG-CB 3.94Å; K237-L262 HydrophobicContact CG-CD1 4.04Å
238	M	90.9	Very high	88.8	Confident	3 Å²	3	42 Å²	42	2%	0.015	23%	0.232	C	C	.	.			trans	-135.7	135.1	169.3	-50.8	177.8	175.6	0	0	107.7	K236 E240 P242 F256 Y259 K383 N384 K385 V386	K236-M238 HydrophobicContact CB-CE 4.17Å; K236-M238 PolarHBondContact O-N 3.28Å; M238-E240 VanDerWaalsContact C-N 3.32Å; M238-E240 WeakPolarHBondContact CB-O 3.49Å; M238-P242 HydrophobicContact SD-CG 4.05Å; M238-F256 HydrophobicContact CE-CD1 3.65Å; M238-F256 HydrophobicContact CE-CE1 3.64Å; M238-Y259 HydrophobicContact CE-CD2 3.99Å; M238-Y259 HydrophobicContact CE-CE2 3.96Å; M238-K383 HydrophobicContact CE-CD 3.99Å; M238-K383 HydrophobicContact SD-CB 4.46Å; M238-K383 HydrophobicContact SD-CD 4.29Å; M238-N384 WeakPolarHBondContact CB-O 3.41Å; M238-K385 CarbonylContact O-C 3.6Å; M238-K385 WeakPolarHBondContact O-CA 3.29Å; M238-V386 PolarHBondContact O-N 2.7Å
239	D	90.3	Very high	88.7	Confident	19 Å²	19	43 Å²	43	10%	0.102	24%	0.237	C	C	.	.	S	Bend	trans	-72	-27.9	172.5	41.8	-80.3	0	0	0	111.8	K385 P428 S429 Q430 Y441	D239-K385 WeakPolarHBondContact O-CD 3.19Å; D239-K385 WeakPolarHBondContact O-CE 3.46Å; D239-K385 VanDerWaalsContact O-CG 3.32Å; D239-K385 WeakPolarHBondContact O-CG 3.49Å; D239-P428 HydrophobicContact CB-CB 4.4Å; D239-S429 WeakPolarHBondContact OD1-CA 3.42Å; D239-S429 WeakPolarHBondContact OD1-CB 3.32Å; D239-S429 PolarHBondContact OD1-N 3.11Å; D239-Q430 WeakPolarHBondContact OD1-CB 3.16Å; D239-Q430 WeakPolarHBondContact OD1-CG 3.37Å; D239-Q430 PolarHBondContact OD1-N 2.79Å; D239-Q430 WeakPolarHBondContact OD2-CB 3.29Å; D239-Q430 PolarHBondContact OD2-OE1 2.97Å; D239-Y441 WeakPolarHBondContact OD2-CE2 3.25Å; D239-Y441 PolarHBondContact OD2-OH 3.03Å
240	E	89.6	Confident	88.5	Confident	39 Å²	39	42.8 Å²	42.8	18%	0.182	24%	0.236	C	C	.	.	S	Bend	trans	-140.3	155.3	175.9	-68	-63.1	166.2	0	0	113	M238 K385 Q430 H550	M238-E240 VanDerWaalsContact C-N 3.32Å; M238-E240 WeakPolarHBondContact CB-O 3.49Å; E240-K385 WeakPolarHBondContact OE1-CE 3.42Å; E240-K385 IonicContact OE1-NZ 2.8Å; E240-K385 PolarHBondContact OE1-NZ 2.84Å; E240-K385 WeakPolarHBondContact OE2-CE 3.32Å; E240-K385 IonicContact OE2-NZ 3.63Å; E240-K385 PolarHBondContact OE2-NZ 3.06Å; E240-Q430 PolarHBondContact O-NE2 2.95Å; E240-Q430 PolarHBondContact O-OE1 2.92Å; E240-H550 VanDerWaalsContact CG-CE1 3.47Å; E240-H550 WeakPolarHBondContact CG-CE1 3.41Å; E240-H550 IonicContact OE1-CE1 2.89Å; E240-H550 PolarHBondContact OE1-CE1 2.92Å; E240-H550 VanDerWaalsContact OE1-CE1 3.32Å; E240-H550 IonicContact OE1-NE2 3.57Å
241	F	87.9	Confident	88.3	Confident	60 Å²	60	42.9 Å²	42.9	26%	0.263	23%	0.234	S	C	.	.			trans	-61.8	145.7	170.6	-67.4	-63.9	0	0	0	110.8	E355 G357 K383 K385 R440	F241-E355 HydrophobicContact CE2-CG 4.34Å; F241-E355 HydrophobicContact CZ-CG 4.13Å; F241-G357 VanDerWaalsContact CZ-CA 3.45Å; F241-K383 HydrophobicContact CD1-CB 4.44Å; F241-K385 HydrophobicContact CD2-CB 4.39Å; F241-K385 HydrophobicContact CE1-CB 4.28Å; F241-K385 HydrophobicContact CE2-CB 4Å; F241-K385 HydrophobicContact CZ-CB 3.93Å; F241-R440 PolarHBondContact O-NH2 3.21Å
242	P	81.9	Confident	88.1	Confident	34 Å²	34	48.9 Å²	48.9	22%	0.221	26%	0.263	C	S	.	.			trans	-60.6	138.4	176.6	-23.5	33.7	0	0	0	112.3	M238 S244 K383	M238-P242 HydrophobicContact SD-CG 4.05Å; P242-S244 PolarHBondContact O-N 3.4Å; P242-K383 HydrophobicContact CG-CB 4.32Å; P242-K383 HydrophobicContact CG-CD 3.96Å; P242-K383 HydrophobicContact CG-CG 3.96Å
243	N	75.9	Confident	87.8	Confident	91 Å²	91	48.4 Å²	48.4	49%	0.487	26%	0.259	S	S	.	.	S	Bend	trans	-71	-14.2	177.2	-69.4	-13.1	0	0	0	114.1	R440 D551	N243-R440 PolarHBondContact OD1-NH2 2.97Å; N243-D551 PolarHBondContact ND2-OD1 3.39Å; N243-D551 PolarHBondContact OD1-OD1 3.02Å
244	S	70.1	Confident	87.3	Confident	75 Å²	75	52.6 Å²	52.6	52%	0.524	28%	0.281	S	S	.	.	S	Bend	trans	-125.2	146.3	179	58	0	0	0	0	110.6	P242 I246	P242-S244 PolarHBondContact O-N 3.4Å; S244-I246 PolarHBondContact O-N 2.9Å
245	S	70.2	Confident	86.6	Confident	114 Å²	114	57.2 Å²	57.2	80%	0.797	30%	0.303	S	S	*	.			trans	-70.4	101.4	171.8	-170.5	0	0	0	0	108.8
246	I	78	Confident	86.3	Confident	61 Å²	61	57.3 Å²	57.3	31%	0.313	30%	0.303	S	S	.	.			trans	-91.9	104.6	169.9	-58.7	173.4	0	0	0	106.9	S244 M253 F256	S244-I246 PolarHBondContact O-N 2.9Å; I246-M253 HydrophobicContact CG2-CE 3.5Å; I246-M253 VanDerWaalsContact CG2-CE 3.5Å; I246-F256 HydrophobicContact CB-CZ 4.23Å; I246-F256 HydrophobicContact CD1-CZ 3.96Å; I246-F256 HydrophobicContact CG2-CE2 3.97Å; I246-F256 HydrophobicContact CG2-CZ 3.79Å
247	E	83.9	Confident	86	Confident	118 Å²	118	60.8 Å²	60.8	55%	0.551	32%	0.323	S	S	*	.			trans	-68.1	143.5	178.7	-62.3	-168.3	162.9	0	0	111.1	T249 K298	E247-T249 PolarHBondContact O-N 2.63Å; E247-K298 VanDerWaalsContact CD-NZ 3.33Å; E247-K298 IonicContact OE1-NZ 3.57Å; E247-K298 PolarHBondContact OE1-NZ 2.83Å; E247-K298 IonicContact OE2-NZ 3.17Å; E247-K298 PolarHBondContact OE2-NZ 2.8Å; E247-K298 VanDerWaalsContact OE2-NZ 3.15Å
248	N	88.7	Confident	85.6	Confident	46 Å²	46	63.8 Å²	63.8	25%	0.246	33%	0.333	C	S	.	.			trans	-72.5	119.6	169.4	-73.7	-65.9	0	0	0	109.4	G250 L380 Y381	N248-G250 VanDerWaalsContact C-N 3.34Å; N248-L380 HydrophobicContact CB-CD2 4Å; N248-Y381 WeakPolarHBondContact OD1-CA 3.43Å; N248-Y381 WeakPolarHBondContact OD1-CB 3.42Å; N248-Y381 PolarHBondContact OD1-N 3Å
249	T	91.1	Very high	85.4	Confident	62 Å²	62	64.4 Å²	64.4	38%	0.38	34%	0.335	S	S	.	.			trans	-82.7	-16.8	177	60.4	0	0	0	0	112.6	E247 E251 M253	E247-T249 PolarHBondContact O-N 2.63Å; T249-E251 PolarHBondContact O-N 2.71Å; T249-E251 PolarHBondContact OG1-N 2.8Å; T249-M253 HydrophobicContact CG2-CE 4.43Å
250	G	92.2	Very high	85.4	Confident	0 Å²	0	67.9 Å²	67.9	0%	0	35%	0.351	C	S	.	.	B	Isolated β-bridge	trans	81.6	-7.7	-169.1	0	0	0	0	0	113.4	N248 I378 H379	N248-G250 VanDerWaalsContact C-N 3.34Å; G250-I378 CarbonylContact O-C 3.48Å; G250-I378 VanDerWaalsContact O-CA 3.31Å; G250-I378 WeakPolarHBondContact O-CA 3.45Å; G250-H379 WeakPolarHBondContact CA-O 3.14Å; G250-H379 PolarHBondContact O-N 2.94Å
251	E	94.7	Very high	85.5	Confident	56 Å²	56	66.3 Å²	66.3	26%	0.262	35%	0.345	S	S	.	.	S	Bend	trans	-98	163.7	173.2	-62.3	179.7	109.5	0	0	110	T249 M253 S370 L375	T249-E251 PolarHBondContact O-N 2.71Å; T249-E251 PolarHBondContact OG1-N 2.8Å; E251-M253 WeakPolarHBondContact O-CG 3.38Å; E251-M253 PolarHBondContact O-N 3.11Å; E251-S370 PolarHBondContact OE1-N 3.19Å; E251-S370 WeakPolarHBondContact OE2-CB 3.33Å; E251-S370 PolarHBondContact OE2-N 2.87Å; E251-S370 PolarHBondContact OE2-OG 3.49Å; E251-L375 HydrophobicContact CG-CD1 4.06Å; E251-L375 HydrophobicContact CG-CD2 4.11Å
252	E	94.3	Very high	85.8	Confident	128 Å²	128	64.1 Å²	64.1	60%	0.598	34%	0.336	S	S	*	.			trans	-61.3	133.2	170.4	-72.1	-176.6	175.1	0	0	110.6	H379 Y381	E252-H379 HydrophobicContact CG-CB 4.41Å; E252-H379 VanDerWaalsContact CG-CE1 3.41Å; E252-H379 WeakPolarHBondContact CG-CE1 3.37Å; E252-H379 WeakPolarHBondContact CG-ND1 3.36Å; E252-H379 IonicContact OE1-CE1 2.64Å; E252-H379 PolarHBondContact OE1-CE1 2.97Å; E252-H379 IonicContact OE1-ND1 3.98Å; E252-H379 IonicContact OE1-NE2 2.9Å; E252-Y381 WeakPolarHBondContact CA-OH 3.47Å
253	M	91.1	Very high	86.4	Confident	13 Å²	13	64.6 Å²	64.6	6%	0.064	34%	0.339	C	S	.	.			trans	-114.3	105.4	-174	-66.7	-175.5	76.1	0	0	110.1	I246 T249 E251 E255 F256 Y381	I246-M253 HydrophobicContact CG2-CE 3.5Å; I246-M253 VanDerWaalsContact CG2-CE 3.5Å; T249-M253 HydrophobicContact CG2-CE 4.43Å; E251-M253 WeakPolarHBondContact O-CG 3.38Å; E251-M253 PolarHBondContact O-N 3.11Å; M253-E255 WeakPolarHBondContact CB-OE2 3.15Å; M253-E255 PolarHBondContact O-N 3.09Å; M253-E255 VanDerWaalsContact O-N 3.14Å; M253-F256 HydrophobicContact CB-CD2 3.7Å; M253-F256 HydrophobicContact CB-CE2 4.11Å; M253-F256 HydrophobicContact CE-CE2 3.9Å; M253-F256 PolarHBondContact O-N 3.47Å; M253-F256 VanDerWaalsContact O-N 3.15Å; M253-F256 HydrophobicContact SD-CD2 4.37Å; M253-F256 HydrophobicContact SD-CE2 3.92Å; M253-Y381 HydrophobicContact CB-CD2 4.2Å; M253-Y381 HydrophobicContact CB-CE2 3.71Å; M253-Y381 HydrophobicContact CG-CD2 4.1Å; M253-Y381 HydrophobicContact CG-CE2 3.74Å; M253-Y381 PolarHBondContact N-OH 3.2Å; M253-Y381 HydrophobicContact SD-CD2 3.85Å; M253-Y381 HydrophobicContact SD-CE2 4.13Å
254	N	87.2	Confident	87.4	Confident	89 Å²	89	62.4 Å²	62.4	48%	0.476	34%	0.338	S	S	.	.	G	3₁₀ helix	trans	-61.8	-23.9	-175	-72	-31.5	0	0	0	113.3	F256 N257	N254-F256 PolarHBondContact O-N 2.97Å; N254-N257 WeakPolarHBondContact O-CB 3.5Å; N254-N257 PolarHBondContact O-N 3.05Å; N254-N257 VanDerWaalsContact O-N 3.09Å; N254-N257 PolarHBondContact OD1-ND2 3.07Å; N254-N257 VanDerWaalsContact OD1-ND2 3.13Å
255	E	83.4	Confident	88.7	Confident	116 Å²	116	59 Å²	59	54%	0.542	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-60.8	-25.6	178.7	-55.8	86.9	169.6	0	0	112.4	M253 R258	M253-E255 WeakPolarHBondContact CB-OE2 3.15Å; M253-E255 PolarHBondContact O-N 3.09Å; M253-E255 VanDerWaalsContact O-N 3.14Å; E255-R258 PolarHBondContact O-NE 3.28Å
256	F	87	Confident	90	Very high	2 Å²	2	55.1 Å²	55.1	1%	0.009	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-92.1	-8.3	178.3	-63.6	-70.3	0	0	0	114.1	K236 M238 I246 M253 N254 R258 Y259 Y381 K383	K236-F256 WeakPolarHBondContact CE-O 3.27Å; K236-F256 HydrophobicContact CG-CB 4.3Å; M238-F256 HydrophobicContact CE-CD1 3.65Å; M238-F256 HydrophobicContact CE-CE1 3.64Å; I246-F256 HydrophobicContact CB-CZ 4.23Å; I246-F256 HydrophobicContact CD1-CZ 3.96Å; I246-F256 HydrophobicContact CG2-CE2 3.97Å; I246-F256 HydrophobicContact CG2-CZ 3.79Å; M253-F256 HydrophobicContact CB-CD2 3.7Å; M253-F256 HydrophobicContact CB-CE2 4.11Å; M253-F256 HydrophobicContact CE-CE2 3.9Å; M253-F256 PolarHBondContact O-N 3.47Å; M253-F256 VanDerWaalsContact O-N 3.15Å; M253-F256 HydrophobicContact SD-CD2 4.37Å; M253-F256 HydrophobicContact SD-CE2 3.92Å; N254-F256 PolarHBondContact O-N 2.97Å; F256-R258 PolarHBondContact O-N 2.84Å; F256-Y259 HydrophobicContact CB-CD2 4.34Å; F256-Y259 AromaticContact CD1-CD2 3.84Å; F256-Y259 HydrophobicContact CD1-CD2 3.84Å; F256-Y259 AromaticContact CD1-CE2 3.85Å; F256-Y259 HydrophobicContact CD1-CE2 3.85Å; F256-Y259 HydrophobicContact CE1-CE2 4.35Å; F256-Y259 PolarHBondContact O-N 2.96Å; F256-Y259 VanDerWaalsContact O-N 3.11Å; F256-Y381 HydrophobicContact CB-CD1 3.71Å; F256-Y381 HydrophobicContact CB-CE1 3.74Å; F256-Y381 AromaticContact CD2-CD1 3.49Å; F256-Y381 HydrophobicContact CD2-CD1 3.49Å; F256-Y381 VanDerWaalsContact CD2-CD1 3.49Å; F256-Y381 HydrophobicContact CD2-CD2 4.29Å; F256-Y381 AromaticContact CD2-CE1 3.93Å; F256-Y381 HydrophobicContact CD2-CE1 3.93Å; F256-Y381 AromaticContact CD2-CG 3.7Å; F256-Y381 HydrophobicContact CD2-CG 3.7Å; F256-Y381 HydrophobicContact CE2-CD1 4.33Å; F256-Y381 HydrophobicContact CE2-CG 4.13Å; F256-Y381 AromaticContact CG-CD1 3.63Å; F256-Y381 HydrophobicContact CG-CD1 3.63Å; F256-Y381 HydrophobicContact CG-CE1 4.1Å; F256-Y381 HydrophobicContact CG-CG 4.23Å; F256-K383 HydrophobicContact CE1-CD 4.15Å; F256-K383 HydrophobicContact CZ-CD 4.43Å
257	N	87.2	Confident	91	Very high	98 Å²	98	52.2 Å²	52.2	52%	0.524	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-23.3	-177	-70.2	-7.9	0	0	0	113	N254 Y259	N254-N257 WeakPolarHBondContact O-CB 3.5Å; N254-N257 PolarHBondContact O-N 3.05Å; N254-N257 VanDerWaalsContact O-N 3.09Å; N254-N257 PolarHBondContact OD1-ND2 3.07Å; N254-N257 VanDerWaalsContact OD1-ND2 3.13Å; N257-Y259 VanDerWaalsContact C-N 3.29Å
258	R	81.9	Confident	91.6	Very high	115 Å²	115	46.8 Å²	46.8	43%	0.434	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-15.2	177.2	69.5	-166.7	-178.7	114.5	-4.4	114.1	E255 F256 D433	E255-R258 PolarHBondContact O-NE 3.28Å; F256-R258 PolarHBondContact O-N 2.84Å; R258-D433 IonicContact CZ-OD1 3.86Å; R258-D433 IonicContact NH1-OD1 2.63Å; R258-D433 PolarHBondContact NH1-OD1 2.7Å; R258-D433 IonicContact NH2-OD1 3.54Å; R258-D433 PolarHBondContact NH2-OD1 2.7Å; R258-D433 IonicContact NH2-OD2 3.7Å; R258-D433 PolarHBondContact NH2-OD2 2.97Å; R258-D433 VanDerWaalsContact NH2-OD2 3.14Å
259	Y	87.4	Confident	92.1	Very high	17 Å²	17	44.6 Å²	44.6	7%	0.067	23%	0.234	C	C	.	.	S	Bend	trans	-93.2	139	178.5	-55.5	-62	0	0	0	110.4	K236 M238 F256 N257 S429 Q430 D433	K236-Y259 WeakPolarHBondContact CD-O 3.41Å; K236-Y259 PolarHBondContact NZ-O 2.78Å; M238-Y259 HydrophobicContact CE-CD2 3.99Å; M238-Y259 HydrophobicContact CE-CE2 3.96Å; F256-Y259 HydrophobicContact CB-CD2 4.34Å; F256-Y259 AromaticContact CD1-CD2 3.84Å; F256-Y259 HydrophobicContact CD1-CD2 3.84Å; F256-Y259 AromaticContact CD1-CE2 3.85Å; F256-Y259 HydrophobicContact CD1-CE2 3.85Å; F256-Y259 HydrophobicContact CE1-CE2 4.35Å; F256-Y259 PolarHBondContact O-N 2.96Å; F256-Y259 VanDerWaalsContact O-N 3.11Å; N257-Y259 VanDerWaalsContact C-N 3.29Å; Y259-S429 WeakPolarHBondContact CD1-O 3.3Å; Y259-S429 WeakPolarHBondContact CE1-O 3.26Å; Y259-Q430 HydrophobicContact CD1-CG 4.5Å; Y259-Q430 HydrophobicContact CE1-CG 3.59Å; Y259-D433 PolarHBondContact OH-OD1 2.89Å; Y259-D433 PolarHBondContact OH-OD2 2.69Å
260	E	88.9	Confident	92.5	Very high	92 Å²	92	44.6 Å²	44.6	43%	0.43	23%	0.227	S	C	.	.	P	Polyproline II helix	trans	-62.7	147.6	173.7	-159.2	-167.8	156.8	0	0	110.7	K236 K237	K236-E260 CarbonylContact C-O 3.54Å; K236-E260 VanDerWaalsContact CA-O 3.32Å; K236-E260 WeakPolarHBondContact CA-O 3.25Å; K237-E260 HydrophobicContact CD-CB 4.25Å; K237-E260 WeakPolarHBondContact CD-OE2 3.35Å; K237-E260 WeakPolarHBondContact CE-OE2 3.28Å; K237-E260 PolarHBondContact N-O 2.88Å; K237-E260 IonicContact NZ-OE1 2.82Å; K237-E260 PolarHBondContact NZ-OE1 3.1Å; K237-E260 IonicContact NZ-OE2 3.8Å; K237-E260 PolarHBondContact NZ-OE2 3.34Å
261	G	92.8	Very high	92.8	Very high	6 Å²	6	45.4 Å²	45.4	6%	0.062	23%	0.231	C	C	.	.	B	Isolated β-bridge	trans	-63	145.4	169.8	0	0	0	0	0	112.1	K235 K237 P263 D324	K235-G261 CarbonylContact O-C 3.56Å; K235-G261 WeakPolarHBondContact O-CA 3.22Å; K237-G261 WeakPolarHBondContact CE-O 3.45Å; G261-P263 WeakPolarHBondContact O-CD 3.22Å; G261-D324 VanDerWaalsContact CA-O 3.25Å; G261-D324 WeakPolarHBondContact CA-O 3.29Å
262	L	93.4	Very high	92.9	Very high	14 Å²	14	42.8 Å²	42.8	7%	0.073	22%	0.219	C	C	.	.			trans	-105.4	99.5	170.9	179.1	60.4	0	0	0	109.4	K235 K237 I265 T321 V354 V386	K235-L262 HydrophobicContact CB-CB 4.35Å; K235-L262 HydrophobicContact CG-CB 3.9Å; K235-L262 HydrophobicContact CG-CD2 4.05Å; K235-L262 HydrophobicContact CG-CG 4.31Å; K235-L262 PolarHBondContact O-N 3Å; K237-L262 HydrophobicContact CG-CB 3.94Å; K237-L262 HydrophobicContact CG-CD1 4.04Å; L262-I265 HydrophobicContact CD2-CD1 4Å; L262-I265 HydrophobicContact CD2-CG1 3.81Å; L262-I265 HydrophobicContact CG-CD1 4.15Å; L262-I265 HydrophobicContact CG-CG1 3.78Å; L262-T321 WeakPolarHBondContact O-CB 3.36Å; L262-T321 PolarHBondContact O-OG1 2.82Å; L262-V354 HydrophobicContact CD2-CG1 4.1Å; L262-V354 HydrophobicContact CD2-CG2 4.22Å; L262-V386 HydrophobicContact CD1-CG2 4.2Å; L262-V386 HydrophobicContact CD2-CG2 3.78Å
263	P	95.6	Very high	93.1	Very high	44 Å²	44	36.8 Å²	36.8	29%	0.286	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	160.1	178.5	28.4	-34.6	0	0	0	112.8	G261 T321 D322	G261-P263 WeakPolarHBondContact O-CD 3.22Å; P263-T321 VanDerWaalsContact C-OG1 3.26Å; P263-T321 WeakPolarHBondContact CA-OG1 3.35Å; P263-D322 VanDerWaalsContact CA-O 3.23Å; P263-D322 WeakPolarHBondContact CA-O 3.36Å; P263-D322 VanDerWaalsContact CB-O 3.25Å; P263-D322 WeakPolarHBondContact CB-O 3.31Å
264	G	96.3	Very high	93.4	Very high	45 Å²	45	42.2 Å²	42.2	46%	0.464	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.9	7.1	168.4	0	0	0	0	0	115.9	T321	G264-T321 PolarHBondContact N-O 2.92Å; G264-T321 PolarHBondContact N-OG1 3.22Å; G264-T321 VanDerWaalsContact N-OG1 3.08Å
265	I	96.5	Very high	93.9	Very high	4 Å²	4	39 Å²	39	2%	0.021	20%	0.199	C	C	.	.			trans	-89.7	122.8	177.9	-53.5	-55	0	0	0	109.8	K235 L262 F267 T320 T321 E348 V354	K235-I265 HydrophobicContact CG-CB 4.34Å; K235-I265 HydrophobicContact CG-CG1 4.05Å; L262-I265 HydrophobicContact CD2-CD1 4Å; L262-I265 HydrophobicContact CD2-CG1 3.81Å; L262-I265 HydrophobicContact CG-CD1 4.15Å; L262-I265 HydrophobicContact CG-CG1 3.78Å; I265-F267 HydrophobicContact CB-CE2 4.17Å; I265-F267 HydrophobicContact CG2-CD2 4.28Å; I265-F267 HydrophobicContact CG2-CE2 3.55Å; I265-F267 HydrophobicContact CG2-CZ 3.9Å; I265-T320 CarbonylContact O-C 3.55Å; I265-T320 VanDerWaalsContact O-CA 3.3Å; I265-T320 WeakPolarHBondContact O-CA 3.45Å; I265-T321 HydrophobicContact CB-CG2 4.2Å; I265-T321 PolarHBondContact N-OG1 3.46Å; I265-T321 PolarHBondContact O-N 2.96Å; I265-E348 HydrophobicContact CG2-CG 3.69Å; I265-E348 WeakPolarHBondContact CG2-OE1 3.13Å; I265-V354 HydrophobicContact CD1-CG1 4.37Å; I265-V354 HydrophobicContact CD1-CG2 4.14Å
266	T	98.1	Very high	94.6	Very high	31 Å²	31	33.5 Å²	33.5	19%	0.19	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	134.1	-178.3	-55.8	0	0	0	0	111.7	D318 Q319 T320 H349	T266-D318 HydrophobicContact CG2-CB 3.64Å; T266-Q319 CarbonylContact C-O 3.57Å; T266-Q319 WeakPolarHBondContact CA-O 3.41Å; T266-T320 PolarHBondContact OG1-OG1 2.78Å; T266-H349 PolarHBondContact O-N 3.26Å
267	F	98.3	Very high	95	Very high	1 Å²	1	35.2 Å²	35.2	0%	0.004	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	140	175.1	-69.1	-92	0	0	0	111.7	I233 K235 I265 D318 Q319 T321 A327 F329 F346 E347 E348 P382	I233-F267 HydrophobicContact CD1-CB 4.21Å; I233-F267 HydrophobicContact CD1-CD1 3.75Å; I233-F267 HydrophobicContact CD1-CD2 4.34Å; I233-F267 HydrophobicContact CD1-CE1 4.19Å; I233-F267 HydrophobicContact CD1-CG 3.84Å; I233-F267 HydrophobicContact CG2-CD2 4.37Å; I233-F267 HydrophobicContact CG2-CE1 4.19Å; I233-F267 HydrophobicContact CG2-CE2 3.91Å; I233-F267 HydrophobicContact CG2-CZ 3.83Å; K235-F267 HydrophobicContact CD-CE2 4.41Å; K235-F267 HydrophobicContact CD-CZ 4Å; I265-F267 HydrophobicContact CB-CE2 4.17Å; I265-F267 HydrophobicContact CG2-CD2 4.28Å; I265-F267 HydrophobicContact CG2-CE2 3.55Å; I265-F267 HydrophobicContact CG2-CZ 3.9Å; F267-D318 VanDerWaalsContact O-CA 3.27Å; F267-D318 WeakPolarHBondContact O-CA 3.23Å; F267-Q319 PolarHBondContact N-O 3.23Å; F267-Q319 PolarHBondContact O-N 3.41Å; F267-T321 HydrophobicContact CD2-CG2 4.43Å; F267-T321 HydrophobicContact CE2-CG2 4.02Å; F267-A327 HydrophobicContact CD2-CB 4.23Å; F267-F329 HydrophobicContact CB-CE2 4.01Å; F267-F329 HydrophobicContact CB-CZ 3.78Å; F267-F346 HydrophobicContact CD1-CB 4.47Å; F267-E347 CarbonylContact C-O 3.51Å; F267-E347 VanDerWaalsContact CA-O 3.22Å; F267-E347 WeakPolarHBondContact CA-O 3.42Å; F267-E348 HydrophobicContact CD1-CB 3.96Å; F267-E348 HydrophobicContact CD1-CG 4.32Å; F267-E348 HydrophobicContact CE1-CB 3.56Å; F267-E348 HydrophobicContact CE1-CG 3.71Å; F267-E348 WeakPolarHBondContact CE1-OE2 3.48Å; F267-E348 HydrophobicContact CZ-CB 4.2Å; F267-E348 HydrophobicContact CZ-CG 3.81Å; F267-E348 WeakPolarHBondContact CZ-OE2 3.28Å; F267-P382 HydrophobicContact CE1-CG 4.21Å; F267-P382 HydrophobicContact CZ-CG 3.92Å
268	T	98.4	Very high	95.4	Very high	4 Å²	4	32.7 Å²	32.7	3%	0.025	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	127.8	167.6	-60.6	0	0	0	0	109.8	W270 R314 D318 F346 E347 H349	T268-W270 HydrophobicContact CG2-CD2 4.4Å; T268-W270 HydrophobicContact CG2-CG 4.47Å; T268-W270 HydrophobicContact CG2-CZ2 4.12Å; T268-W270 VanDerWaalsContact CG2-NE1 3.28Å; T268-R314 HydrophobicContact CG2-CG 3.74Å; T268-D318 PolarHBondContact OG1-OD1 2.96Å; T268-F346 CarbonylContact O-C 3.54Å; T268-F346 WeakPolarHBondContact O-CA 3.33Å; T268-E347 PolarHBondContact N-O 3.24Å; T268-E347 PolarHBondContact O-N 3.39Å; T268-H349 PolarHBondContact OG1-CE1 3.44Å; T268-H349 VanDerWaalsContact OG1-CE1 3.27Å; T268-H349 PolarHBondContact OG1-NE2 3.21Å
269	A	98.5	Very high	96.1	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	131.2	171.1	0	0	0	0	0	110.5	V315 F329 F346	A269-V315 HydrophobicContact CB-CB 4.31Å; A269-V315 PolarHBondContact O-N 2.91Å; A269-F329 HydrophobicContact CB-CD1 3.66Å; A269-F329 HydrophobicContact CB-CE1 3.5Å; A269-F329 VanDerWaalsContact CB-CE1 3.5Å; A269-F329 HydrophobicContact CB-CG 4.39Å; A269-F329 HydrophobicContact CB-CZ 4.13Å; A269-F346 HydrophobicContact CB-CD1 3.96Å; A269-F346 HydrophobicContact CB-CE1 3.87Å
270	W	98.6	Very high	96.5	Very high	62 Å²	62	29.9 Å²	29.9	24%	0.235	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	129.6	175.5	-63.4	89.9	0	0	0	109.7	T268 I272 L306 A312 T313 R314 Y344 F345 E347	T268-W270 HydrophobicContact CG2-CD2 4.4Å; T268-W270 HydrophobicContact CG2-CG 4.47Å; T268-W270 HydrophobicContact CG2-CZ2 4.12Å; T268-W270 VanDerWaalsContact CG2-NE1 3.28Å; W270-I272 HydrophobicContact CB-CG2 4.08Å; W270-I272 PolarHBondContact O-N 3.46Å; W270-L306 HydrophobicContact CB-CD1 4.05Å; W270-L306 HydrophobicContact CD2-CD1 4.28Å; W270-L306 HydrophobicContact CD2-CD2 4.28Å; W270-L306 HydrophobicContact CG-CD1 3.96Å; W270-L306 HydrophobicContact CG-CD2 4.05Å; W270-A312 HydrophobicContact CE3-CB 4.21Å; W270-T313 CarbonylContact C-O 3.59Å; W270-T313 WeakPolarHBondContact CA-O 3.48Å; W270-R314 HydrophobicContact CD2-CB 4.36Å; W270-R314 HydrophobicContact CE3-CB 3.97Å; W270-R314 HydrophobicContact CH2-CB 4.12Å; W270-R314 HydrophobicContact CZ3-CB 3.84Å; W270-Y344 CarbonylContact O-C 3.45Å; W270-Y344 VanDerWaalsContact O-CA 3.25Å; W270-Y344 WeakPolarHBondContact O-CA 3.48Å; W270-F345 HydrophobicContact CB-CB 4.32Å; W270-F345 PolarHBondContact N-O 3.4Å; W270-F345 PolarHBondContact O-N 2.89Å; W270-E347 PolarHBondContact NE1-OE2 3.4Å
271	D	98.3	Very high	96.8	Very high	17 Å²	17	33.5 Å²	33.5	9%	0.091	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	113.1	164.7	174.1	7.8	0	0	0	108.3	S273 A312 T313 V315 K342 Y344	D271-S273 VanDerWaalsContact OD1-CB 3.26Å; D271-S273 WeakPolarHBondContact OD1-CB 3.28Å; D271-S273 PolarHBondContact OD1-N 3.46Å; D271-S273 PolarHBondContact OD1-OG 2.94Å; D271-A312 VanDerWaalsContact O-CA 3.31Å; D271-A312 WeakPolarHBondContact O-CA 3.44Å; D271-T313 PolarHBondContact N-O 2.81Å; D271-T313 PolarHBondContact O-N 3.46Å; D271-V315 HydrophobicContact CB-CG2 3.61Å; D271-K342 WeakPolarHBondContact OD2-CD 3.4Å; D271-K342 WeakPolarHBondContact OD2-CE 3.42Å; D271-K342 IonicContact OD2-NZ 2.71Å; D271-K342 PolarHBondContact OD2-NZ 2.87Å; D271-Y344 HydrophobicContact CB-CD1 4.27Å; D271-Y344 HydrophobicContact CB-CE1 4.07Å
272	I	98.3	Very high	96.9	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.005	20%	0.199	C	C	.	.			trans	-111.8	16	-177	59.8	158.5	0	0	0	111.8	W270 E274 D275 F276 F304 L306 A312 V343 F345 I362	W270-I272 HydrophobicContact CB-CG2 4.08Å; W270-I272 PolarHBondContact O-N 3.46Å; I272-E274 PolarHBondContact O-N 3.32Å; I272-D275 PolarHBondContact O-N 3.34Å; I272-F276 HydrophobicContact CD1-CB 4.24Å; I272-F276 HydrophobicContact CD1-CD2 4.17Å; I272-F276 HydrophobicContact CG1-CB 4.41Å; I272-F276 VanDerWaalsContact O-CB 3.24Å; I272-F276 WeakPolarHBondContact O-CB 3.31Å; I272-F276 PolarHBondContact O-N 2.7Å; I272-F304 HydrophobicContact CB-CE1 4.09Å; I272-F304 HydrophobicContact CB-CZ 3.75Å; I272-F304 HydrophobicContact CD1-CD1 3.92Å; I272-F304 HydrophobicContact CD1-CD2 4.41Å; I272-F304 HydrophobicContact CD1-CE1 3.54Å; I272-F304 HydrophobicContact CD1-CE2 4.08Å; I272-F304 HydrophobicContact CD1-CG 4.34Å; I272-F304 HydrophobicContact CD1-CZ 3.63Å; I272-F304 HydrophobicContact CG1-CE1 4.43Å; I272-F304 HydrophobicContact CG1-CZ 4.28Å; I272-F304 HydrophobicContact CG2-CE1 3.94Å; I272-F304 HydrophobicContact CG2-CZ 4.02Å; I272-L306 HydrophobicContact CG2-CD1 3.88Å; I272-A312 HydrophobicContact CG2-CB 3.94Å; I272-V343 HydrophobicContact CD1-CG1 3.94Å; I272-V343 HydrophobicContact CG1-CB 4.17Å; I272-V343 HydrophobicContact CG1-CG1 3.91Å; I272-V343 WeakPolarHBondContact CG1-O 3.2Å; I272-V343 PolarHBondContact N-O 2.75Å; I272-F345 HydrophobicContact CD1-CB 3.93Å; I272-F345 HydrophobicContact CD1-CD2 4.49Å; I272-F345 HydrophobicContact CG1-CB 4.19Å; I272-F345 HydrophobicContact CG2-CB 3.79Å; I272-I362 HydrophobicContact CD1-CD1 4.13Å; I272-I362 HydrophobicContact CD1-CG1 4.27Å; I272-I362 HydrophobicContact CD1-CG2 4.16Å
273	S	98.1	Very high	96.9	Very high	2 Å²	2	39.9 Å²	39.9	1%	0.014	21%	0.209	C	C	.	.	H	α-helix	trans	-55.2	-46.4	-168.6	-56.2	0	0	0	0	113.1	D271 Y277 N336 K342 V343	D271-S273 VanDerWaalsContact OD1-CB 3.26Å; D271-S273 WeakPolarHBondContact OD1-CB 3.28Å; D271-S273 PolarHBondContact OD1-N 3.46Å; D271-S273 PolarHBondContact OD1-OG 2.94Å; S273-Y277 WeakPolarHBondContact O-CB 3.22Å; S273-Y277 WeakPolarHBondContact O-CD2 3.42Å; S273-Y277 PolarHBondContact O-N 3.09Å; S273-N336 WeakPolarHBondContact CB-ND2 3.35Å; S273-K342 WeakPolarHBondContact OG-CA 3.38Å; S273-K342 WeakPolarHBondContact OG-CD 3.28Å; S273-V343 PolarHBondContact OG-N 2.81Å
274	E	97.2	Very high	96.9	Very high	127 Å²	127	39.8 Å²	39.8	59%	0.593	21%	0.205	S	C	*	.	H	α-helix	trans	-65.1	-47.7	-177.2	-177.1	166.1	-175.1	0	0	112	I272 A278 N311	I272-E274 PolarHBondContact O-N 3.32Å; E274-A278 WeakPolarHBondContact O-CB 3.15Å; E274-A278 PolarHBondContact O-N 3.19Å; E274-N311 HydrophobicContact CB-CB 4.03Å; E274-N311 HydrophobicContact CG-CB 4.15Å
275	D	98.1	Very high	96.6	Very high	21 Å²	21	42.8 Å²	42.8	11%	0.112	22%	0.215	C	C	.	.	H	α-helix	trans	-67.7	-43	179.9	-62.9	-53.5	0	0	0	111.5	I272 A278 E279 F304 A309 P310 N311 A312	I272-D275 PolarHBondContact O-N 3.34Å; D275-A278 PolarHBondContact O-N 2.64Å; D275-E279 PolarHBondContact O-N 3.33Å; D275-F304 HydrophobicContact CB-CE2 4.16Å; D275-F304 HydrophobicContact CB-CZ 4.11Å; D275-A309 HydrophobicContact CB-CB 3.84Å; D275-A309 WeakPolarHBondContact OD2-CA 3.29Å; D275-A309 WeakPolarHBondContact OD2-CB 3.23Å; D275-P310 WeakPolarHBondContact OD1-CD 3.2Å; D275-N311 PolarHBondContact OD1-N 3.03Å; D275-N311 PolarHBondContact OD1-ND2 3.03Å; D275-N311 VanDerWaalsContact OD2-C 3.24Å; D275-N311 VanDerWaalsContact OD2-CA 3.28Å; D275-N311 WeakPolarHBondContact OD2-CA 3.49Å; D275-N311 WeakPolarHBondContact OD2-CB 3.39Å; D275-N311 PolarHBondContact OD2-N 3.36Å; D275-A312 PolarHBondContact OD2-N 3.37Å
276	F	97.6	Very high	96.2	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-62.1	-47.7	178.1	-173.9	-88.7	0	0	0	111.6	I272 A278 E279 L280 V300 M301 F304 V343 I362 M364	I272-F276 HydrophobicContact CD1-CB 4.24Å; I272-F276 HydrophobicContact CD1-CD2 4.17Å; I272-F276 HydrophobicContact CG1-CB 4.41Å; I272-F276 VanDerWaalsContact O-CB 3.24Å; I272-F276 WeakPolarHBondContact O-CB 3.31Å; I272-F276 PolarHBondContact O-N 2.7Å; F276-A278 VanDerWaalsContact C-N 3.33Å; F276-A278 PolarHBondContact O-N 3.35Å; F276-E279 PolarHBondContact O-N 3.39Å; F276-L280 HydrophobicContact CE1-CD2 4.05Å; F276-L280 WeakPolarHBondContact O-CB 3.21Å; F276-L280 PolarHBondContact O-N 3.15Å; F276-V300 HydrophobicContact CD2-CG1 3.8Å; F276-V300 HydrophobicContact CE2-CB 4.15Å; F276-V300 HydrophobicContact CE2-CG1 3.53Å; F276-V300 HydrophobicContact CG-CG1 4.43Å; F276-V300 HydrophobicContact CZ-CB 4.24Å; F276-V300 HydrophobicContact CZ-CG1 3.95Å; F276-M301 HydrophobicContact CE2-CB 4.47Å; F276-M301 HydrophobicContact CE2-CG 3.59Å; F276-M301 HydrophobicContact CZ-CE 4.01Å; F276-M301 HydrophobicContact CZ-CG 3.8Å; F276-F304 HydrophobicContact CB-CE2 4.17Å; F276-F304 HydrophobicContact CD2-CD2 4.08Å; F276-F304 HydrophobicContact CD2-CE2 4.42Å; F276-V343 HydrophobicContact CB-CB 4.32Å; F276-V343 HydrophobicContact CB-CG1 4.22Å; F276-V343 HydrophobicContact CB-CG2 4.47Å; F276-V343 HydrophobicContact CD1-CB 4.37Å; F276-V343 HydrophobicContact CD1-CG1 4.09Å; F276-V343 HydrophobicContact CD1-CG2 3.81Å; F276-V343 HydrophobicContact CD2-CG1 4Å; F276-V343 HydrophobicContact CE1-CG1 4.48Å; F276-V343 HydrophobicContact CE1-CG2 4.35Å; F276-V343 HydrophobicContact CE2-CG1 4.4Å; F276-V343 HydrophobicContact CG-CB 4.29Å; F276-V343 HydrophobicContact CG-CG1 3.83Å; F276-V343 HydrophobicContact CG-CG2 4.24Å; F276-I362 HydrophobicContact CE2-CG2 4.33Å; F276-M364 HydrophobicContact CE1-SD 3.93Å; F276-M364 HydrophobicContact CZ-SD 4.4Å
277	Y	96	Very high	95.8	Very high	38 Å²	38	50.3 Å²	50.3	15%	0.149	27%	0.266	C	S	.	.	H	α-helix	trans	-71.5	-26	178.4	-72.9	-51.8	0	0	0	113.3	S273 L280 R281 Y341 V343 M364	S273-Y277 WeakPolarHBondContact O-CB 3.22Å; S273-Y277 WeakPolarHBondContact O-CD2 3.42Å; S273-Y277 PolarHBondContact O-N 3.09Å; Y277-L280 HydrophobicContact CD1-CD2 4.2Å; Y277-L280 HydrophobicContact CE1-CD2 4.47Å; Y277-R281 VanDerWaalsContact O-CB 3.26Å; Y277-R281 WeakPolarHBondContact O-CB 3.34Å; Y277-R281 WeakPolarHBondContact O-CG 3.5Å; Y277-R281 PolarHBondContact O-N 2.82Å; Y277-R281 PolarHBondContact O-NE 2.6Å; Y277-Y341 WeakPolarHBondContact CE2-O 3.42Å; Y277-Y341 PolarHBondContact OH-O 3.31Å; Y277-V343 HydrophobicContact CE2-CG2 4.19Å; Y277-M364 HydrophobicContact CE1-CE 4.1Å
278	A	96.2	Very high	95.4	Very high	45 Å²	45	52.2 Å²	52.2	37%	0.372	28%	0.275	S	S	.	.	H	α-helix	trans	-64.3	-48.2	170	0	0	0	0	0	111.1	E274 D275 F276 S282	E274-A278 WeakPolarHBondContact O-CB 3.15Å; E274-A278 PolarHBondContact O-N 3.19Å; D275-A278 PolarHBondContact O-N 2.64Å; F276-A278 VanDerWaalsContact C-N 3.33Å; F276-A278 PolarHBondContact O-N 3.35Å; A278-S282 PolarHBondContact O-N 3.17Å; A278-S282 VanDerWaalsContact O-N 3.15Å
279	E	95.7	Very high	95	Very high	73 Å²	73	55.7 Å²	55.7	34%	0.341	30%	0.296	S	S	.	.	H	α-helix	trans	-64.2	-47.6	177.3	-176.9	60.5	-158.1	0	0	111.3	D275 F276 R281 S282 R283 V300	D275-E279 PolarHBondContact O-N 3.33Å; F276-E279 PolarHBondContact O-N 3.39Å; E279-R281 PolarHBondContact O-N 2.88Å; E279-S282 WeakPolarHBondContact O-CB 3.28Å; E279-S282 PolarHBondContact O-N 2.75Å; E279-S282 VanDerWaalsContact O-N 3.07Å; E279-S282 PolarHBondContact O-OG 2.93Å; E279-R283 PolarHBondContact O-N 3.46Å; E279-R283 IonicContact OE1-CZ 2.62Å; E279-R283 VanDerWaalsContact OE1-CZ 3.3Å; E279-R283 IonicContact OE1-NE 2.68Å; E279-R283 PolarHBondContact OE1-NE 2.68Å; E279-R283 IonicContact OE1-NH2 3.46Å; E279-R283 PolarHBondContact OE1-NH2 2.81Å; E279-V300 HydrophobicContact CB-CG1 4.08Å; E279-V300 HydrophobicContact CG-CG1 3.74Å; E279-V300 HydrophobicContact CG-CG2 4.21Å
280	L	95.2	Very high	94.1	Very high	1 Å²	1	58.1 Å²	58.1	1%	0.005	31%	0.309	C	S	.	.	H	α-helix	trans	-58.2	-48.2	177.8	-179.2	57.2	0	0	0	112.1	F276 Y277 S282 R283 L284 Y293 I296 A297 V300	F276-L280 HydrophobicContact CE1-CD2 4.05Å; F276-L280 WeakPolarHBondContact O-CB 3.21Å; F276-L280 PolarHBondContact O-N 3.15Å; Y277-L280 HydrophobicContact CD1-CD2 4.2Å; Y277-L280 HydrophobicContact CE1-CD2 4.47Å; L280-S282 PolarHBondContact O-N 2.85Å; L280-R283 PolarHBondContact O-N 2.85Å; L280-L284 HydrophobicContact CD1-CD1 4.1Å; L280-L284 HydrophobicContact CD1-CD2 4.5Å; L280-L284 HydrophobicContact CD1-CG 4.2Å; L280-L284 HydrophobicContact CG-CD1 3.84Å; L280-L284 HydrophobicContact CG-CG 4.38Å; L280-L284 WeakPolarHBondContact O-CG 3.26Å; L280-L284 PolarHBondContact O-N 2.82Å; L280-Y293 HydrophobicContact CD2-CE2 4.01Å; L280-Y293 WeakPolarHBondContact CD2-OH 3.34Å; L280-I296 HydrophobicContact CD1-CB 4.42Å; L280-I296 HydrophobicContact CD1-CG2 3.71Å; L280-A297 HydrophobicContact CD1-CB 4.31Å; L280-V300 HydrophobicContact CB-CG2 4.35Å; L280-V300 HydrophobicContact CD1-CG2 4.09Å
281	R	94.8	Very high	93.5	Very high	168 Å²	168	58.5 Å²	58.5	63%	0.634	33%	0.326	S	S	*	.	H	α-helix	trans	-62.4	-27.1	177.3	-75.3	179.2	-62.8	140.8	-3.3	113.2	Y277 E279 R283	Y277-R281 VanDerWaalsContact O-CB 3.26Å; Y277-R281 WeakPolarHBondContact O-CB 3.34Å; Y277-R281 WeakPolarHBondContact O-CG 3.5Å; Y277-R281 PolarHBondContact O-N 2.82Å; Y277-R281 PolarHBondContact O-NE 2.6Å; E279-R281 PolarHBondContact O-N 2.88Å; R281-R283 PolarHBondContact O-N 3.03Å
282	S	95.2	Very high	93	Very high	82 Å²	82	62.5 Å²	62.5	57%	0.573	34%	0.344	S	S	*	.	H	α-helix	trans	-69.9	-23.4	176.8	83.3	0	0	0	0	113	A278 E279 L280	A278-S282 PolarHBondContact O-N 3.17Å; A278-S282 VanDerWaalsContact O-N 3.15Å; E279-S282 WeakPolarHBondContact O-CB 3.28Å; E279-S282 PolarHBondContact O-N 2.75Å; E279-S282 VanDerWaalsContact O-N 3.07Å; E279-S282 PolarHBondContact O-OG 2.93Å; L280-S282 PolarHBondContact O-N 2.85Å
283	R	94.7	Very high	92.7	Very high	72 Å²	72	65.2 Å²	65.2	27%	0.272	35%	0.354	S	S	.	.	H	α-helix	trans	-96.7	-17	179.5	-57.8	-172.7	-169	-160.9	1.4	113.2	E279 L280 R281 I296 D303	E279-R283 PolarHBondContact O-N 3.46Å; E279-R283 IonicContact OE1-CZ 2.62Å; E279-R283 VanDerWaalsContact OE1-CZ 3.3Å; E279-R283 IonicContact OE1-NE 2.68Å; E279-R283 PolarHBondContact OE1-NE 2.68Å; E279-R283 IonicContact OE1-NH2 3.46Å; E279-R283 PolarHBondContact OE1-NH2 2.81Å; L280-R283 PolarHBondContact O-N 2.85Å; R281-R283 PolarHBondContact O-N 3.03Å; R283-I296 HydrophobicContact CB-CG2 3.59Å; R283-D303 IonicContact CZ-OD2 3.86Å; R283-D303 VanDerWaalsContact CZ-OD2 3.31Å; R283-D303 IonicContact NH1-OD2 3.94Å; R283-D303 PolarHBondContact NH1-OD2 2.9Å; R283-D303 IonicContact NH2-OD2 2.6Å; R283-D303 PolarHBondContact NH2-OD2 2.87Å
284	L	94.5	Very high	92.1	Very high	41 Å²	41	69.1 Å²	69.1	22%	0.215	38%	0.375	C	S	.	.			trans	-87.4	146.2	178.6	-64.3	170.7	0	0	0	112.2	L280 E288 Y293 I296	L280-L284 HydrophobicContact CD1-CD1 4.1Å; L280-L284 HydrophobicContact CD1-CD2 4.5Å; L280-L284 HydrophobicContact CD1-CG 4.2Å; L280-L284 HydrophobicContact CG-CD1 3.84Å; L280-L284 HydrophobicContact CG-CG 4.38Å; L280-L284 WeakPolarHBondContact O-CG 3.26Å; L280-L284 PolarHBondContact O-N 2.82Å; L284-E288 HydrophobicContact CD2-CB 4.34Å; L284-E288 HydrophobicContact CD2-CG 3.62Å; L284-Y293 HydrophobicContact CD1-CD2 3.84Å; L284-Y293 HydrophobicContact CD1-CE2 3.65Å; L284-Y293 HydrophobicContact CD2-CD2 3.88Å; L284-Y293 HydrophobicContact CD2-CE2 4.5Å; L284-I296 HydrophobicContact CD2-CD1 3.79Å; L284-I296 HydrophobicContact CD2-CG2 4.35Å
285	T	90.1	Very high	91.8	Very high	108 Å²	108	66.8 Å²	66.8	66%	0.663	37%	0.369	S	S	*	.			trans	-99.1	-17.2	173.6	70.1	0	0	0	0	112.8	E288	T285-E288 WeakPolarHBondContact CA-OE1 3.16Å; T285-E288 VanDerWaalsContact CB-OE1 3.28Å; T285-E288 WeakPolarHBondContact CB-OE1 3.21Å; T285-E288 PolarHBondContact N-OE1 2.86Å; T285-E288 PolarHBondContact N-OE2 3.04Å; T285-E288 PolarHBondContact OG1-OE1 2.79Å
286	G	88.2	Confident	91.6	Very high	50 Å²	50	67 Å²	67	52%	0.515	37%	0.37	S	S	.	.	S	Bend	trans	92.6	4.9	-179.2	0	0	0	0	0	114.5	E288	G286-E288 WeakPolarHBondContact CA-OE2 3.34Å; G286-E288 PolarHBondContact N-OE2 2.95Å
287	N	89.5	Confident	91.4	Very high	143 Å²	143	67.1 Å²	67.1	77%	0.765	37%	0.372	S	S	*	.			trans	-122.6	10	178.8	-55.9	-63.6	0	0	0	112.8
288	E	89.5	Confident	91.1	Very high	42 Å²	42	70 Å²	70	20%	0.196	39%	0.385	C	S	.	.			trans	-60.1	136.6	-178.6	-69.5	68.9	-149.1	0	0	111	L284 T285 G286 E292 I296	L284-E288 HydrophobicContact CD2-CB 4.34Å; L284-E288 HydrophobicContact CD2-CG 3.62Å; T285-E288 WeakPolarHBondContact CA-OE1 3.16Å; T285-E288 VanDerWaalsContact CB-OE1 3.28Å; T285-E288 WeakPolarHBondContact CB-OE1 3.21Å; T285-E288 PolarHBondContact N-OE1 2.86Å; T285-E288 PolarHBondContact N-OE2 3.04Å; T285-E288 PolarHBondContact OG1-OE1 2.79Å; G286-E288 WeakPolarHBondContact CA-OE2 3.34Å; G286-E288 PolarHBondContact N-OE2 2.95Å; E288-E292 HydrophobicContact CB-CB 4.02Å; E288-E292 HydrophobicContact CG-CB 4.21Å; E288-I296 HydrophobicContact CG-CD1 3.95Å
289	T	90.4	Very high	90.9	Very high	76 Å²	76	72.4 Å²	72.4	47%	0.466	39%	0.388	S	S	.	.			trans	-65.6	163.9	158	63.8	0	0	0	0	109.7	A291 E292 Y293	T289-A291 VanDerWaalsContact C-N 3.27Å; T289-A291 PolarHBondContact O-N 3.05Å; T289-E292 WeakPolarHBondContact CB-OE2 3.29Å; T289-E292 PolarHBondContact N-OE2 2.9Å; T289-E292 WeakPolarHBondContact O-CB 3.32Å; T289-E292 PolarHBondContact O-N 3.1Å; T289-E292 VanDerWaalsContact O-N 3.1Å; T289-E292 VanDerWaalsContact OG1-CD 3.26Å; T289-E292 VanDerWaalsContact OG1-CG 3.31Å; T289-E292 WeakPolarHBondContact OG1-CG 3.38Å; T289-E292 PolarHBondContact OG1-N 2.81Å; T289-E292 PolarHBondContact OG1-OE2 2.82Å; T289-Y293 PolarHBondContact O-N 2.82Å
290	D	80.3	Confident	90.8	Very high	52 Å²	52	68.9 Å²	68.9	28%	0.278	37%	0.372	S	S	.	.	H	α-helix	trans	-70.3	-28.5	-175.2	-46.1	-80.3	0	0	0	113	G215 V216 N294	G215-D290 WeakPolarHBondContact CA-OD1 3.42Å; V216-D290 HydrophobicContact CB-CB 3.59Å; V216-D290 WeakPolarHBondContact CB-OD1 3.19Å; V216-D290 WeakPolarHBondContact CB-OD2 3.22Å; V216-D290 HydrophobicContact CG1-CB 4.17Å; V216-D290 HydrophobicContact CG2-CB 4.09Å; V216-D290 VanDerWaalsContact CG2-OD1 3.3Å; V216-D290 WeakPolarHBondContact CG2-OD1 3.36Å; V216-D290 WeakPolarHBondContact CG2-OD2 3.4Å; V216-D290 PolarHBondContact N-OD1 3.29Å; D290-N294 WeakPolarHBondContact O-CB 3.49Å; D290-N294 PolarHBondContact O-N 3.39Å; D290-N294 PolarHBondContact O-ND2 2.79Å; D290-N294 VanDerWaalsContact O-ND2 3.11Å
291	A	85.5	Confident	90.7	Very high	70 Å²	70	70.7 Å²	70.7	58%	0.579	38%	0.381	S	S	*	.	H	α-helix	trans	-63.2	-46.2	170.6	0	0	0	0	0	110.6	T289 N294 T295	T289-A291 VanDerWaalsContact C-N 3.27Å; T289-A291 PolarHBondContact O-N 3.05Å; A291-N294 PolarHBondContact O-N 3.3Å; A291-T295 PolarHBondContact O-N 2.88Å; A291-T295 PolarHBondContact O-OG1 2.87Å
292	E	88.5	Confident	90.5	Very high	101 Å²	101	67.9 Å²	67.9	47%	0.472	38%	0.379	S	S	.	.	H	α-helix	trans	-64.4	-44.4	176.8	-69.7	164	147.9	0	0	111.3	E288 T289 N294 T295 I296	E288-E292 HydrophobicContact CB-CB 4.02Å; E288-E292 HydrophobicContact CG-CB 4.21Å; T289-E292 WeakPolarHBondContact CB-OE2 3.29Å; T289-E292 PolarHBondContact N-OE2 2.9Å; T289-E292 WeakPolarHBondContact O-CB 3.32Å; T289-E292 PolarHBondContact O-N 3.1Å; T289-E292 VanDerWaalsContact O-N 3.1Å; T289-E292 VanDerWaalsContact OG1-CD 3.26Å; T289-E292 VanDerWaalsContact OG1-CG 3.31Å; T289-E292 WeakPolarHBondContact OG1-CG 3.38Å; T289-E292 PolarHBondContact OG1-N 2.81Å; T289-E292 PolarHBondContact OG1-OE2 2.82Å; E292-N294 VanDerWaalsContact C-N 3.34Å; E292-N294 PolarHBondContact O-N 2.64Å; E292-T295 PolarHBondContact O-N 3.13Å; E292-I296 VanDerWaalsContact O-CG1 3.29Å; E292-I296 WeakPolarHBondContact O-CG1 3.46Å; E292-I296 PolarHBondContact O-N 2.82Å
293	Y	90.4	Very high	90.3	Very high	58 Å²	58	68.5 Å²	68.5	23%	0.227	38%	0.375	C	S	.	.	H	α-helix	trans	-56.8	-46.9	175	-179.7	-87.3	0	0	0	111.7	L280 L284 T289 I296 A297 M364	L280-Y293 HydrophobicContact CD2-CE2 4.01Å; L280-Y293 WeakPolarHBondContact CD2-OH 3.34Å; L284-Y293 HydrophobicContact CD1-CD2 3.84Å; L284-Y293 HydrophobicContact CD1-CE2 3.65Å; L284-Y293 HydrophobicContact CD2-CD2 3.88Å; L284-Y293 HydrophobicContact CD2-CE2 4.5Å; T289-Y293 PolarHBondContact O-N 2.82Å; Y293-I296 PolarHBondContact O-N 2.89Å; Y293-A297 WeakPolarHBondContact O-CB 3.33Å; Y293-A297 PolarHBondContact O-N 2.89Å; Y293-M364 HydrophobicContact CE1-CE 4.1Å; Y293-M364 WeakPolarHBondContact OH-CE 3.27Å
294	N	87.4	Confident	90.3	Very high	84 Å²	84	65.8 Å²	65.8	45%	0.449	37%	0.365	S	S	.	.	H	α-helix	trans	-66.1	-38.7	179.3	-73.1	-26.6	0	0	0	112.3	D290 A291 E292 A297 K298	D290-N294 WeakPolarHBondContact O-CB 3.49Å; D290-N294 PolarHBondContact O-N 3.39Å; D290-N294 PolarHBondContact O-ND2 2.79Å; D290-N294 VanDerWaalsContact O-ND2 3.11Å; A291-N294 PolarHBondContact O-N 3.3Å; E292-N294 VanDerWaalsContact C-N 3.34Å; E292-N294 PolarHBondContact O-N 2.64Å; N294-A297 PolarHBondContact O-N 3.03Å; N294-K298 WeakPolarHBondContact O-CG 3.39Å; N294-K298 PolarHBondContact O-N 2.64Å
295	T	90.9	Very high	90.3	Very high	77 Å²	77	67.7 Å²	67.7	47%	0.472	37%	0.373	S	S	.	.	H	α-helix	trans	-61	-49.1	173.8	-68.1	0	0	0	0	110.9	A291 E292 A297 K298 E299	A291-T295 PolarHBondContact O-N 2.88Å; A291-T295 PolarHBondContact O-OG1 2.87Å; E292-T295 PolarHBondContact O-N 3.13Å; T295-A297 VanDerWaalsContact C-N 3.34Å; T295-A297 PolarHBondContact O-N 2.92Å; T295-K298 PolarHBondContact O-N 3.19Å; T295-E299 WeakPolarHBondContact O-CG 3.42Å; T295-E299 PolarHBondContact O-N 2.95Å
296	I	93.4	Very high	90.5	Very high	25 Å²	25	63.5 Å²	63.5	13%	0.128	35%	0.347	C	S	.	.	H	α-helix	trans	-63.6	-41.3	178.7	-64.3	165.5	0	0	0	110.5	L280 R283 L284 E288 E292 Y293 K298 E299 V300	L280-I296 HydrophobicContact CD1-CB 4.42Å; L280-I296 HydrophobicContact CD1-CG2 3.71Å; R283-I296 HydrophobicContact CB-CG2 3.59Å; L284-I296 HydrophobicContact CD2-CD1 3.79Å; L284-I296 HydrophobicContact CD2-CG2 4.35Å; E288-I296 HydrophobicContact CG-CD1 3.95Å; E292-I296 VanDerWaalsContact O-CG1 3.29Å; E292-I296 WeakPolarHBondContact O-CG1 3.46Å; E292-I296 PolarHBondContact O-N 2.82Å; Y293-I296 PolarHBondContact O-N 2.89Å; I296-K298 VanDerWaalsContact C-N 3.34Å; I296-K298 PolarHBondContact O-N 2.87Å; I296-E299 WeakPolarHBondContact O-CB 3.38Å; I296-E299 PolarHBondContact O-N 2.93Å; I296-V300 HydrophobicContact CG2-CG2 4.45Å; I296-V300 WeakPolarHBondContact O-CG2 3.36Å; I296-V300 PolarHBondContact O-N 2.81Å
297	A	92.2	Very high	90.7	Very high	4 Å²	4	68.3 Å²	68.3	3%	0.033	36%	0.361	C	S	.	.	H	α-helix	trans	-60.8	-41.6	176.1	0	0	0	0	0	112.1	L280 Y293 N294 T295 V300 M301	L280-A297 HydrophobicContact CD1-CB 4.31Å; Y293-A297 WeakPolarHBondContact O-CB 3.33Å; Y293-A297 PolarHBondContact O-N 2.89Å; N294-A297 PolarHBondContact O-N 3.03Å; T295-A297 VanDerWaalsContact C-N 3.34Å; T295-A297 PolarHBondContact O-N 2.92Å; A297-V300 PolarHBondContact O-N 2.9Å; A297-M301 WeakPolarHBondContact O-CG 3.33Å; A297-M301 PolarHBondContact O-N 2.82Å
298	K	90.1	Very high	91	Very high	98 Å²	98	67.8 Å²	67.8	43%	0.426	36%	0.358	S	S	.	.	H	α-helix	trans	-63.4	-39.9	173.9	-75.1	-177.5	175.3	-165.4	0	112.1	E247 N294 T295 I296 M301 N302	E247-K298 VanDerWaalsContact CD-NZ 3.33Å; E247-K298 IonicContact OE1-NZ 3.57Å; E247-K298 PolarHBondContact OE1-NZ 2.83Å; E247-K298 IonicContact OE2-NZ 3.17Å; E247-K298 PolarHBondContact OE2-NZ 2.8Å; E247-K298 VanDerWaalsContact OE2-NZ 3.15Å; N294-K298 WeakPolarHBondContact O-CG 3.39Å; N294-K298 PolarHBondContact O-N 2.64Å; T295-K298 PolarHBondContact O-N 3.19Å; I296-K298 VanDerWaalsContact C-N 3.34Å; I296-K298 PolarHBondContact O-N 2.87Å; K298-M301 PolarHBondContact O-N 2.84Å; K298-N302 PolarHBondContact O-N 2.99Å; K298-N302 PolarHBondContact O-ND2 3.42Å
299	E	92.1	Very high	91.3	Very high	95 Å²	95	66.3 Å²	66.3	44%	0.444	35%	0.353	S	S	.	.	H	α-helix	trans	-61.7	-45.9	173.6	-69.6	172.4	178.1	0	0	111.4	T295 I296 M301 N302 D303	T295-E299 WeakPolarHBondContact O-CG 3.42Å; T295-E299 PolarHBondContact O-N 2.95Å; I296-E299 WeakPolarHBondContact O-CB 3.38Å; I296-E299 PolarHBondContact O-N 2.93Å; E299-M301 VanDerWaalsContact C-N 3.34Å; E299-M301 PolarHBondContact O-N 3.05Å; E299-N302 PolarHBondContact O-N 2.85Å; E299-D303 WeakPolarHBondContact O-CB 3.41Å; E299-D303 PolarHBondContact O-N 3.32Å
300	V	94.9	Very high	91.6	Very high	0 Å²	0	68 Å²	68	0%	0	37%	0.365	C	S	.	.	H	α-helix	trans	-59.6	-45.1	175.4	175.9	0	0	0	0	110.7	F276 E279 L280 I296 A297 N302 D303 F304	F276-V300 HydrophobicContact CD2-CG1 3.8Å; F276-V300 HydrophobicContact CE2-CB 4.15Å; F276-V300 HydrophobicContact CE2-CG1 3.53Å; F276-V300 HydrophobicContact CG-CG1 4.43Å; F276-V300 HydrophobicContact CZ-CB 4.24Å; F276-V300 HydrophobicContact CZ-CG1 3.95Å; E279-V300 HydrophobicContact CB-CG1 4.08Å; E279-V300 HydrophobicContact CG-CG1 3.74Å; E279-V300 HydrophobicContact CG-CG2 4.21Å; L280-V300 HydrophobicContact CB-CG2 4.35Å; L280-V300 HydrophobicContact CD1-CG2 4.09Å; I296-V300 HydrophobicContact CG2-CG2 4.45Å; I296-V300 WeakPolarHBondContact O-CG2 3.36Å; I296-V300 PolarHBondContact O-N 2.81Å; A297-V300 PolarHBondContact O-N 2.9Å; V300-N302 VanDerWaalsContact C-N 3.31Å; V300-N302 PolarHBondContact O-N 2.93Å; V300-D303 PolarHBondContact O-N 3.43Å; V300-F304 VanDerWaalsContact O-CB 3.28Å; V300-F304 WeakPolarHBondContact O-CB 3.32Å; V300-F304 PolarHBondContact O-N 3.06Å
301	M	92.6	Very high	92.4	Very high	38 Å²	38	69.1 Å²	69.1	19%	0.187	37%	0.371	C	S	.	.	H	α-helix	trans	-58.6	-41.8	176.9	-70.8	177.9	-169.9	0	0	112.5	F276 A297 K298 E299 I362 M364	F276-M301 HydrophobicContact CE2-CB 4.47Å; F276-M301 HydrophobicContact CE2-CG 3.59Å; F276-M301 HydrophobicContact CZ-CE 4.01Å; F276-M301 HydrophobicContact CZ-CG 3.8Å; A297-M301 WeakPolarHBondContact O-CG 3.33Å; A297-M301 PolarHBondContact O-N 2.82Å; K298-M301 PolarHBondContact O-N 2.84Å; E299-M301 VanDerWaalsContact C-N 3.34Å; E299-M301 PolarHBondContact O-N 3.05Å; M301-I362 HydrophobicContact CB-CB 4.44Å; M301-I362 HydrophobicContact CB-CD1 4.34Å; M301-I362 HydrophobicContact CE-CG2 4.47Å; M301-I362 HydrophobicContact CG-CB 4.14Å; M301-I362 HydrophobicContact CG-CG2 3.88Å; M301-I362 WeakPolarHBondContact O-CD1 3.18Å; M301-I362 HydrophobicContact SD-CG2 4.34Å; M301-M364 HydrophobicContact CE-CB 3.44Å; M301-M364 VanDerWaalsContact CE-CB 3.44Å; M301-M364 HydrophobicContact CE-CG 4.39Å; M301-M364 HydrophobicContact CE-SD 4.1Å
302	N	90	Very high	93	Very high	110 Å²	110	66.7 Å²	66.7	59%	0.588	35%	0.351	S	S	*	.	H	α-helix	trans	-68.7	-36.3	179.4	-72.4	-27.4	0	0	0	112.6	K298 E299 V300	K298-N302 PolarHBondContact O-N 2.99Å; K298-N302 PolarHBondContact O-ND2 3.42Å; E299-N302 PolarHBondContact O-N 2.85Å; V300-N302 VanDerWaalsContact C-N 3.31Å; V300-N302 PolarHBondContact O-N 2.93Å
303	D	92	Very high	93.4	Very high	94 Å²	94	65.5 Å²	65.5	50%	0.503	35%	0.351	S	S	.	.	H	α-helix	trans	-86.5	-10.9	-178.6	-65.5	-20	0	0	0	113.5	R283 E299 V300 E305	R283-D303 IonicContact CZ-OD2 3.86Å; R283-D303 VanDerWaalsContact CZ-OD2 3.31Å; R283-D303 IonicContact NH1-OD2 3.94Å; R283-D303 PolarHBondContact NH1-OD2 2.9Å; R283-D303 IonicContact NH2-OD2 2.6Å; R283-D303 PolarHBondContact NH2-OD2 2.87Å; E299-D303 WeakPolarHBondContact O-CB 3.41Å; E299-D303 PolarHBondContact O-N 3.32Å; V300-D303 PolarHBondContact O-N 3.43Å; D303-E305 PolarHBondContact O-N 2.82Å
304	F	94.4	Very high	93.8	Very high	15 Å²	15	68.8 Å²	68.8	7%	0.066	36%	0.363	C	S	.	.			trans	-69	126.6	-172	-166.7	-88.2	0	0	0	111.7	I272 D275 F276 V300 A309 F345 K360 I362	I272-F304 HydrophobicContact CB-CE1 4.09Å; I272-F304 HydrophobicContact CB-CZ 3.75Å; I272-F304 HydrophobicContact CD1-CD1 3.92Å; I272-F304 HydrophobicContact CD1-CD2 4.41Å; I272-F304 HydrophobicContact CD1-CE1 3.54Å; I272-F304 HydrophobicContact CD1-CE2 4.08Å; I272-F304 HydrophobicContact CD1-CG 4.34Å; I272-F304 HydrophobicContact CD1-CZ 3.63Å; I272-F304 HydrophobicContact CG1-CE1 4.43Å; I272-F304 HydrophobicContact CG1-CZ 4.28Å; I272-F304 HydrophobicContact CG2-CE1 3.94Å; I272-F304 HydrophobicContact CG2-CZ 4.02Å; D275-F304 HydrophobicContact CB-CE2 4.16Å; D275-F304 HydrophobicContact CB-CZ 4.11Å; F276-F304 HydrophobicContact CB-CE2 4.17Å; F276-F304 HydrophobicContact CD2-CD2 4.08Å; F276-F304 HydrophobicContact CD2-CE2 4.42Å; V300-F304 VanDerWaalsContact O-CB 3.28Å; V300-F304 WeakPolarHBondContact O-CB 3.32Å; V300-F304 PolarHBondContact O-N 3.06Å; F304-A309 HydrophobicContact CE1-CB 3.99Å; F304-A309 HydrophobicContact CZ-CB 3.57Å; F304-F345 AromaticContact CD1-CD2 3.92Å; F304-F345 HydrophobicContact CD1-CD2 3.92Å; F304-F345 HydrophobicContact CD1-CE2 4.24Å; F304-F345 HydrophobicContact CE1-CD2 4.27Å; F304-K360 VanDerWaalsContact O-CE 3.24Å; F304-K360 WeakPolarHBondContact O-CE 3.46Å; F304-I362 HydrophobicContact CB-CD1 3.57Å; F304-I362 HydrophobicContact CD1-CD1 3.93Å; F304-I362 HydrophobicContact CG-CD1 3.89Å
305	E	93.7	Very high	94.2	Very high	81 Å²	81	66.1 Å²	66.1	38%	0.379	35%	0.35	S	S	.	.			trans	-117.6	114.4	177.5	-71	-62.6	158.1	0	0	109.8	D303 N307 N308 K360	D303-E305 PolarHBondContact O-N 2.82Å; E305-N307 PolarHBondContact O-N 3.19Å; E305-N308 HydrophobicContact CB-CB 4.44Å; E305-N308 WeakPolarHBondContact O-CB 3.47Å; E305-N308 PolarHBondContact O-N 3.35Å; E305-K360 WeakPolarHBondContact OE1-CE 3.34Å; E305-K360 IonicContact OE1-NZ 3.31Å; E305-K360 PolarHBondContact OE1-NZ 3.17Å; E305-K360 IonicContact OE2-NZ 2.71Å
306	L	94.7	Very high	94.3	Very high	21 Å²	21	65.3 Å²	65.3	11%	0.11	36%	0.357	C	S	.	.	G	3₁₀ helix	trans	-56.6	-35.5	-176.9	-178.2	65.8	0	0	0	112.6	W270 I272 N308 A309 A312 F345 E347	W270-L306 HydrophobicContact CB-CD1 4.05Å; W270-L306 HydrophobicContact CD2-CD1 4.28Å; W270-L306 HydrophobicContact CD2-CD2 4.28Å; W270-L306 HydrophobicContact CG-CD1 3.96Å; W270-L306 HydrophobicContact CG-CD2 4.05Å; I272-L306 HydrophobicContact CG2-CD1 3.88Å; L306-N308 PolarHBondContact O-N 3.34Å; L306-N308 VanDerWaalsContact O-N 3.12Å; L306-A309 WeakPolarHBondContact O-CB 3.08Å; L306-A309 PolarHBondContact O-N 3.09Å; L306-A312 HydrophobicContact CD1-CB 3.92Å; L306-F345 HydrophobicContact CB-CD1 4.47Å; L306-F345 HydrophobicContact CB-CE1 4.23Å; L306-F345 HydrophobicContact CB-CE2 4.36Å; L306-F345 HydrophobicContact CB-CZ 4.2Å; L306-F345 HydrophobicContact CD1-CD1 4.48Å; L306-F345 HydrophobicContact CD1-CG 4.45Å; L306-F345 HydrophobicContact CD2-CD1 3.99Å; L306-F345 HydrophobicContact CD2-CE1 4.02Å; L306-E347 HydrophobicContact CD2-CB 4.12Å; L306-E347 HydrophobicContact CD2-CG 4.3Å
307	N	93	Very high	94.4	Very high	150 Å²	150	68.7 Å²	68.7	80%	0.802	38%	0.379	S	S	*	.	G	3₁₀ helix	trans	-63.7	-16.9	177.4	-69.1	-39.5	0	0	0	113.9	E305	E305-N307 PolarHBondContact O-N 3.19Å
308	N	94.2	Very high	94.7	Very high	133 Å²	133	71.2 Å²	71.2	71%	0.711	39%	0.391	S	S	*	.	G	3₁₀ helix	trans	-102.3	9.4	177.4	-63.8	-26.5	0	0	0	112.6	E305 L306 P310	E305-N308 HydrophobicContact CB-CB 4.44Å; E305-N308 WeakPolarHBondContact O-CB 3.47Å; E305-N308 PolarHBondContact O-N 3.35Å; L306-N308 PolarHBondContact O-N 3.34Å; L306-N308 VanDerWaalsContact O-N 3.12Å; N308-P310 WeakPolarHBondContact O-CD 3.45Å
309	A	96.4	Very high	95.1	Very high	11 Å²	11	69.1 Å²	69.1	9%	0.091	38%	0.383	C	S	.	.			trans	-106.8	83	-177.3	0	0	0	0	0	110.9	D275 F304 L306 N311 A312	D275-A309 HydrophobicContact CB-CB 3.84Å; D275-A309 WeakPolarHBondContact OD2-CA 3.29Å; D275-A309 WeakPolarHBondContact OD2-CB 3.23Å; F304-A309 HydrophobicContact CE1-CB 3.99Å; F304-A309 HydrophobicContact CZ-CB 3.57Å; L306-A309 WeakPolarHBondContact O-CB 3.08Å; L306-A309 PolarHBondContact O-N 3.09Å; A309-N311 PolarHBondContact O-N 2.78Å; A309-A312 HydrophobicContact CB-CB 3.93Å; A309-A312 VanDerWaalsContact O-CB 3.24Å; A309-A312 WeakPolarHBondContact O-CB 3.48Å; A309-A312 PolarHBondContact O-N 3.28Å
310	P	96.7	Very high	95.4	Very high	111 Å²	111	68 Å²	68	72%	0.721	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-18.2	-173	29.1	-37.8	0	0	0	114.3	D275 N308	D275-P310 WeakPolarHBondContact OD1-CD 3.2Å; N308-P310 WeakPolarHBondContact O-CD 3.45Å
311	N	97.4	Very high	95.6	Very high	75 Å²	75	68.3 Å²	68.3	40%	0.401	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.4	1	178.2	-51.9	-65.2	0	0	0	111.8	E274 D275 A309 T313	E274-N311 HydrophobicContact CB-CB 4.03Å; E274-N311 HydrophobicContact CG-CB 4.15Å; D275-N311 PolarHBondContact OD1-N 3.03Å; D275-N311 PolarHBondContact OD1-ND2 3.03Å; D275-N311 VanDerWaalsContact OD2-C 3.24Å; D275-N311 VanDerWaalsContact OD2-CA 3.28Å; D275-N311 WeakPolarHBondContact OD2-CA 3.49Å; D275-N311 WeakPolarHBondContact OD2-CB 3.39Å; D275-N311 PolarHBondContact OD2-N 3.36Å; A309-N311 PolarHBondContact O-N 2.78Å; N311-T313 PolarHBondContact O-N 3.46Å
312	A	97.9	Very high	95.8	Very high	19 Å²	19	69.7 Å²	69.7	16%	0.157	39%	0.393	C	S	.	.			trans	-60.1	128.2	175	0	0	0	0	0	110.3	W270 D271 I272 D275 L306 A309	W270-A312 HydrophobicContact CE3-CB 4.21Å; D271-A312 VanDerWaalsContact O-CA 3.31Å; D271-A312 WeakPolarHBondContact O-CA 3.44Å; I272-A312 HydrophobicContact CG2-CB 3.94Å; D275-A312 PolarHBondContact OD2-N 3.37Å; L306-A312 HydrophobicContact CD1-CB 3.92Å; A309-A312 HydrophobicContact CB-CB 3.93Å; A309-A312 VanDerWaalsContact O-CB 3.24Å; A309-A312 WeakPolarHBondContact O-CB 3.48Å; A309-A312 PolarHBondContact O-N 3.28Å
313	T	97.9	Very high	96	Very high	77 Å²	77	71.9 Å²	71.9	47%	0.472	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	132.7	178.9	57.8	0	0	0	0	110.7	W270 D271 N311	W270-T313 CarbonylContact C-O 3.59Å; W270-T313 WeakPolarHBondContact CA-O 3.48Å; D271-T313 PolarHBondContact N-O 2.81Å; D271-T313 PolarHBondContact O-N 3.46Å; N311-T313 PolarHBondContact O-N 3.46Å
314	R	97.7	Very high	96.2	Very high	126 Å²	126	72.6 Å²	72.6	48%	0.475	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	135.7	177.4	-177.3	165.2	171.6	-108.2	14.4	110.4	T268 W270 D318	T268-R314 HydrophobicContact CG2-CG 3.74Å; W270-R314 HydrophobicContact CD2-CB 4.36Å; W270-R314 HydrophobicContact CE3-CB 3.97Å; W270-R314 HydrophobicContact CH2-CB 4.12Å; W270-R314 HydrophobicContact CZ3-CB 3.84Å; R314-D318 IonicContact CZ-OD1 3.22Å; R314-D318 VanDerWaalsContact CZ-OD1 3.24Å; R314-D318 IonicContact NE-OD1 2.93Å; R314-D318 PolarHBondContact NE-OD1 3.19Å; R314-D318 IonicContact NH2-OD1 3.3Å; R314-D318 PolarHBondContact NH2-OD1 3.46Å; R314-D318 IonicContact NH2-OD2 3.85Å; R314-D318 PolarHBondContact NH2-OD2 3.28Å
315	V	95.6	Very high	96.3	Very high	29 Å²	29	71.9 Å²	71.9	18%	0.176	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	117.7	-175.6	-174	0	0	0	0	109.6	A269 D271 L332 Y344	A269-V315 HydrophobicContact CB-CB 4.31Å; A269-V315 PolarHBondContact O-N 2.91Å; D271-V315 HydrophobicContact CB-CG2 3.61Å; V315-L332 HydrophobicContact CG1-CD2 3.59Å; V315-Y344 HydrophobicContact CG1-CE1 4.41Å; V315-Y344 HydrophobicContact CG2-CD1 4.29Å; V315-Y344 HydrophobicContact CG2-CE1 3.96Å
316	G	93.6	Very high	96.5	Very high	60 Å²	60	69.6 Å²	69.6	62%	0.619	39%	0.391	S	S	*	.	E	Extended strand (participates in β ladder)	trans	65.9	-151.9	179.4	0	0	0	0	0	113.5
317	T	96.2	Very high	96.7	Very high	96 Å²	96	68.7 Å²	68.7	59%	0.589	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.5	155	177.5	60.2	0	0	0	0	110.5	Q319	T317-Q319 PolarHBondContact O-NE2 2.93Å; T317-Q319 PolarHBondContact OG1-NE2 2.76Å
318	D	98.3	Very high	96.9	Very high	56 Å²	56	64.9 Å²	64.9	30%	0.299	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.8	145.2	175.1	-53.3	-14.7	0	0	0	110.7	T266 F267 T268 R314 H349	T266-D318 HydrophobicContact CG2-CB 3.64Å; F267-D318 VanDerWaalsContact O-CA 3.27Å; F267-D318 WeakPolarHBondContact O-CA 3.23Å; T268-D318 PolarHBondContact OG1-OD1 2.96Å; R314-D318 IonicContact CZ-OD1 3.22Å; R314-D318 VanDerWaalsContact CZ-OD1 3.24Å; R314-D318 IonicContact NE-OD1 2.93Å; R314-D318 PolarHBondContact NE-OD1 3.19Å; R314-D318 IonicContact NH2-OD1 3.3Å; R314-D318 PolarHBondContact NH2-OD1 3.46Å; R314-D318 IonicContact NH2-OD2 3.85Å; R314-D318 PolarHBondContact NH2-OD2 3.28Å; D318-H349 IonicContact OD2-CE1 2.8Å
319	Q	98.5	Very high	97.1	Very high	54 Å²	54	59 Å²	59	25%	0.252	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	135.5	177.7	-59	-58.6	-46.9	0	0	108.4	T266 F267 T317 A327 N328 F329	T266-Q319 CarbonylContact C-O 3.57Å; T266-Q319 WeakPolarHBondContact CA-O 3.41Å; F267-Q319 PolarHBondContact N-O 3.23Å; F267-Q319 PolarHBondContact O-N 3.41Å; T317-Q319 PolarHBondContact O-NE2 2.93Å; T317-Q319 PolarHBondContact OG1-NE2 2.76Å; Q319-A327 HydrophobicContact CB-CB 3.91Å; Q319-N328 VanDerWaalsContact CD-O 3.23Å; Q319-N328 VanDerWaalsContact CG-O 3.29Å; Q319-N328 WeakPolarHBondContact CG-O 3.5Å; Q319-N328 PolarHBondContact OE1-O 3.14Å; Q319-F329 HydrophobicContact CB-CE1 4.19Å; Q319-F329 HydrophobicContact CB-CE2 4.03Å; Q319-F329 HydrophobicContact CB-CZ 3.82Å; Q319-F329 HydrophobicContact CG-CD1 3.74Å; Q319-F329 HydrophobicContact CG-CD2 4.19Å; Q319-F329 HydrophobicContact CG-CE1 3.53Å; Q319-F329 HydrophobicContact CG-CE2 3.99Å; Q319-F329 HydrophobicContact CG-CG 4.07Å; Q319-F329 HydrophobicContact CG-CZ 3.67Å
320	T	98.3	Very high	97.1	Very high	73 Å²	73	62.7 Å²	62.7	45%	0.448	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	136.5	177.5	-58.9	0	0	0	0	109.1	I265 T266	I265-T320 CarbonylContact O-C 3.55Å; I265-T320 VanDerWaalsContact O-CA 3.3Å; I265-T320 WeakPolarHBondContact O-CA 3.45Å; T266-T320 PolarHBondContact OG1-OG1 2.78Å
321	T	98.3	Very high	97	Very high	6 Å²	6	62.6 Å²	62.6	4%	0.037	35%	0.349	C	S	.	.			trans	-64.1	134.3	-177.1	55.4	0	0	0	0	111.8	K235 L262 P263 G264 I265 F267 G325 N326 A327	K235-T321 HydrophobicContact CB-CG2 3.71Å; L262-T321 WeakPolarHBondContact O-CB 3.36Å; L262-T321 PolarHBondContact O-OG1 2.82Å; P263-T321 VanDerWaalsContact C-OG1 3.26Å; P263-T321 WeakPolarHBondContact CA-OG1 3.35Å; G264-T321 PolarHBondContact N-O 2.92Å; G264-T321 PolarHBondContact N-OG1 3.22Å; G264-T321 VanDerWaalsContact N-OG1 3.08Å; I265-T321 HydrophobicContact CB-CG2 4.2Å; I265-T321 PolarHBondContact N-OG1 3.46Å; I265-T321 PolarHBondContact O-N 2.96Å; F267-T321 HydrophobicContact CD2-CG2 4.43Å; F267-T321 HydrophobicContact CE2-CG2 4.02Å; T321-G325 WeakPolarHBondContact CG2-O 3.43Å; T321-N326 VanDerWaalsContact CA-O 3.32Å; T321-N326 WeakPolarHBondContact CA-O 3.33Å; T321-A327 HydrophobicContact CG2-CB 3.81Å
322	D	98	Very high	97	Very high	67 Å²	67	59.3 Å²	59.3	36%	0.358	33%	0.332	S	S	.	.			trans	-76.6	-172.8	175	64.4	19.8	0	0	0	112.5	P263 D324 G325 N326	P263-D322 VanDerWaalsContact CA-O 3.23Å; P263-D322 WeakPolarHBondContact CA-O 3.36Å; P263-D322 VanDerWaalsContact CB-O 3.25Å; P263-D322 WeakPolarHBondContact CB-O 3.31Å; D322-D324 PolarHBondContact O-N 3.27Å; D322-D324 WeakPolarHBondContact OD1-CA 3.41Å; D322-D324 WeakPolarHBondContact OD1-CB 3.22Å; D322-D324 PolarHBondContact OD1-N 3.37Å; D322-G325 WeakPolarHBondContact O-CA 3.19Å; D322-G325 PolarHBondContact O-N 3.38Å; D322-G325 PolarHBondContact OD1-N 3.4Å; D322-G325 VanDerWaalsContact OD1-N 3.13Å; D322-N326 PolarHBondContact N-O 3.32Å; D322-N326 PolarHBondContact OD1-N 3.5Å
323	Q	94.3	Very high	96.9	Very high	156 Å²	156	61.1 Å²	61.1	73%	0.729	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-26.2	179.6	-64.6	-62.6	-56.3	0	0	113.5	G325	Q323-G325 VanDerWaalsContact C-N 3.27Å
324	D	94.7	Very high	96.8	Very high	109 Å²	109	58 Å²	58	58%	0.583	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-0.9	176.4	-62.8	-38.8	0	0	0	112.1	G261 D322 N326	G261-D324 VanDerWaalsContact CA-O 3.25Å; G261-D324 WeakPolarHBondContact CA-O 3.29Å; D322-D324 PolarHBondContact O-N 3.27Å; D322-D324 WeakPolarHBondContact OD1-CA 3.41Å; D322-D324 WeakPolarHBondContact OD1-CB 3.22Å; D322-D324 PolarHBondContact OD1-N 3.37Å; D324-N326 WeakPolarHBondContact CB-ND2 3.34Å
325	G	96.5	Very high	96.6	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	32%	0.319	C	S	.	.	S	Bend	trans	83.2	17.6	-179.1	0	0	0	0	0	113.8	K235 T321 D322 Q323	K235-G325 WeakPolarHBondContact CB-O 3.41Å; K235-G325 PolarHBondContact N-O 3.35Å; K235-G325 WeakPolarHBondContact O-CA 3.34Å; T321-G325 WeakPolarHBondContact CG2-O 3.43Å; D322-G325 WeakPolarHBondContact O-CA 3.19Å; D322-G325 PolarHBondContact O-N 3.38Å; D322-G325 PolarHBondContact OD1-N 3.4Å; D322-G325 VanDerWaalsContact OD1-N 3.13Å; Q323-G325 VanDerWaalsContact C-N 3.27Å
326	N	98.4	Very high	96.4	Very high	33 Å²	33	56.5 Å²	56.5	18%	0.176	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	132.6	-172.8	-57.2	-44.5	0	0	0	112.5	T232 I233 H234 T321 D322 D324	T232-N326 HydrophobicContact CG2-CB 4.23Å; I233-N326 CarbonylContact O-C 3.55Å; I233-N326 WeakPolarHBondContact O-CA 3.15Å; H234-N326 PolarHBondContact CE1-OD1 3.27Å; H234-N326 PolarHBondContact ND1-OD1 3.49Å; T321-N326 VanDerWaalsContact CA-O 3.32Å; T321-N326 WeakPolarHBondContact CA-O 3.33Å; D322-N326 PolarHBondContact N-O 3.32Å; D322-N326 PolarHBondContact OD1-N 3.5Å; D324-N326 WeakPolarHBondContact CB-ND2 3.34Å
327	A	98.4	Very high	96.2	Very high	2 Å²	2	59.3 Å²	59.3	2%	0.017	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	128.9	170.4	0	0	0	0	0	110.2	T232 I233 F267 Q319 T321	T232-A327 WeakPolarHBondContact CA-O 3.35Å; I233-A327 HydrophobicContact CB-CB 4.36Å; I233-A327 PolarHBondContact N-O 2.88Å; I233-A327 PolarHBondContact O-N 3.02Å; F267-A327 HydrophobicContact CD2-CB 4.23Å; Q319-A327 HydrophobicContact CB-CB 3.91Å; T321-A327 HydrophobicContact CG2-CB 3.81Å
328	N	98.3	Very high	95.9	Very high	70 Å²	70	60.5 Å²	60.5	37%	0.374	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	116.9	-167.7	-65.5	-65.8	0	0	0	112.4	V231 T232 Q319	V231-N328 WeakPolarHBondContact O-CA 3.28Å; T232-N328 WeakPolarHBondContact CG2-OD1 3.37Å; T232-N328 PolarHBondContact OG1-OD1 3.06Å; T232-N328 VanDerWaalsContact OG1-OD1 3.09Å; Q319-N328 VanDerWaalsContact CD-O 3.23Å; Q319-N328 VanDerWaalsContact CG-O 3.29Å; Q319-N328 WeakPolarHBondContact CG-O 3.5Å; Q319-N328 PolarHBondContact OE1-O 3.14Å
329	F	98.2	Very high	95.4	Very high	8 Å²	8	59.8 Å²	59.8	4%	0.035	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	120.4	168.2	-62.8	-90.7	0	0	0	108.8	D230 V231 I233 F267 A269 Q319 L332 F346	D230-F329 CarbonylContact C-O 3.55Å; D230-F329 WeakPolarHBondContact CA-O 3.46Å; V231-F329 HydrophobicContact CB-CB 4.36Å; V231-F329 PolarHBondContact N-O 3.11Å; V231-F329 PolarHBondContact O-N 3.14Å; I233-F329 HydrophobicContact CD1-CD2 4.37Å; I233-F329 HydrophobicContact CD1-CE2 3.8Å; I233-F329 HydrophobicContact CG1-CE2 4.47Å; F267-F329 HydrophobicContact CB-CE2 4.01Å; F267-F329 HydrophobicContact CB-CZ 3.78Å; A269-F329 HydrophobicContact CB-CD1 3.66Å; A269-F329 HydrophobicContact CB-CE1 3.5Å; A269-F329 VanDerWaalsContact CB-CE1 3.5Å; A269-F329 HydrophobicContact CB-CG 4.39Å; A269-F329 HydrophobicContact CB-CZ 4.13Å; Q319-F329 HydrophobicContact CB-CE1 4.19Å; Q319-F329 HydrophobicContact CB-CE2 4.03Å; Q319-F329 HydrophobicContact CB-CZ 3.82Å; Q319-F329 HydrophobicContact CG-CD1 3.74Å; Q319-F329 HydrophobicContact CG-CD2 4.19Å; Q319-F329 HydrophobicContact CG-CE1 3.53Å; Q319-F329 HydrophobicContact CG-CE2 3.99Å; Q319-F329 HydrophobicContact CG-CG 4.07Å; Q319-F329 HydrophobicContact CG-CZ 3.67Å; F329-L332 HydrophobicContact CB-CD1 3.97Å; F329-L332 HydrophobicContact CB-CD2 4.3Å; F329-L332 HydrophobicContact CB-CG 4.17Å; F329-F346 AromaticContact CD2-CD1 3.99Å; F329-F346 HydrophobicContact CD2-CD1 3.99Å; F329-F346 AromaticContact CD2-CE1 3.7Å; F329-F346 HydrophobicContact CD2-CE1 3.7Å; F329-F346 AromaticContact CE2-CD1 3.77Å; F329-F346 HydrophobicContact CE2-CD1 3.77Å; F329-F346 AromaticContact CE2-CE1 3.97Å; F329-F346 HydrophobicContact CE2-CE1 3.97Å; F329-F346 HydrophobicContact CG-CE1 4.02Å; F329-F346 HydrophobicContact CZ-CD1 4.17Å
330	T	96.1	Very high	95.1	Very high	89 Å²	89	59.7 Å²	59.7	55%	0.546	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	150.1	-176.4	58.9	0	0	0	0	111.7	D230 L332	D230-T330 WeakPolarHBondContact OD1-CA 3.35Å; D230-T330 WeakPolarHBondContact OD1-CB 3.49Å; T330-L332 VanDerWaalsContact C-N 3.34Å; T330-L332 PolarHBondContact O-N 3.32Å
331	N	94.6	Very high	94.9	Very high	110 Å²	110	58.9 Å²	58.9	59%	0.588	34%	0.337	S	S	*	.	E	Extended strand (participates in β ladder)	trans	55.8	39.8	175.3	-53.4	-67.9	0	0	0	114.5	V229 D230 P333	V229-N331 PolarHBondContact O-N 3Å; D230-N331 PolarHBondContact OD1-N 3.12Å; N331-P333 WeakPolarHBondContact O-CD 3.38Å
332	L	96.5	Very high	94.9	Very high	6 Å²	6	60 Å²	60	3%	0.031	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	122.2	173	-63.2	-175.5	0	0	0	109.7	S228 V229 V231 V315 F329 T330 Y344 F346 M363	S228-L332 CarbonylContact C-O 3.49Å; S228-L332 WeakPolarHBondContact CA-O 3.41Å; S228-L332 WeakPolarHBondContact CB-O 3.36Å; V229-L332 HydrophobicContact CG2-CB 4.04Å; V229-L332 PolarHBondContact N-O 3.43Å; V229-L332 PolarHBondContact O-N 2.67Å; V231-L332 HydrophobicContact CB-CD1 4.36Å; V231-L332 HydrophobicContact CG2-CD1 3.72Å; V315-L332 HydrophobicContact CG1-CD2 3.59Å; F329-L332 HydrophobicContact CB-CD1 3.97Å; F329-L332 HydrophobicContact CB-CD2 4.3Å; F329-L332 HydrophobicContact CB-CG 4.17Å; T330-L332 VanDerWaalsContact C-N 3.34Å; T330-L332 PolarHBondContact O-N 3.32Å; L332-Y344 HydrophobicContact CB-CE2 4.07Å; L332-Y344 HydrophobicContact CD1-CD2 4.43Å; L332-Y344 HydrophobicContact CD1-CE2 4.46Å; L332-F346 HydrophobicContact CD1-CE1 4.27Å; L332-F346 HydrophobicContact CD1-CZ 4.03Å; L332-M363 HydrophobicContact CD1-CE 4.44Å
333	P	96.1	Very high	94.9	Very high	57 Å²	57	56.9 Å²	56.9	37%	0.37	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.5	144.4	179.4	-26.7	34.6	0	0	0	112.8	D227 N331 K342 Y344	D227-P333 WeakPolarHBondContact O-CA 3.36Å; N331-P333 WeakPolarHBondContact O-CD 3.38Å; P333-K342 WeakPolarHBondContact O-CG 3.21Å; P333-Y344 VanDerWaalsContact CD-OH 3.31Å; P333-Y344 WeakPolarHBondContact CD-OH 3.36Å; P333-Y344 WeakPolarHBondContact O-CE2 3.29Å; P333-Y344 PolarHBondContact O-OH 3.1Å
334	T	95.9	Very high	95.1	Very high	12 Å²	12	49.5 Å²	49.5	7%	0.074	29%	0.29	C	S	.	.	S	Bend	trans	-88.4	-22.2	177.9	56.4	0	0	0	0	113.8	A226 D227 V229 Y341 K342 L365	A226-T334 WeakPolarHBondContact O-CB 3.26Å; A226-T334 WeakPolarHBondContact O-CG2 3.34Å; A226-T334 PolarHBondContact O-OG1 2.87Å; D227-T334 PolarHBondContact O-N 2.94Å; D227-T334 PolarHBondContact O-OG1 2.89Å; V229-T334 HydrophobicContact CG1-CG2 3.68Å; T334-Y341 WeakPolarHBondContact O-CA 3.39Å; T334-Y341 WeakPolarHBondContact O-CD1 3.32Å; T334-K342 PolarHBondContact O-N 2.87Å; T334-L365 HydrophobicContact CG2-CD1 4.19Å
335	K	94.1	Very high	95.2	Very high	91 Å²	91	45.1 Å²	45.1	40%	0.396	27%	0.266	S	S	.	.	B	Isolated β-bridge	trans	-133.1	149.2	-174	-66	-178.2	-179.8	-179.3	0	113.2	T340 Y341 K342	K335-T340 CarbonylContact C-O 3.59Å; K335-T340 VanDerWaalsContact CA-O 3.26Å; K335-T340 WeakPolarHBondContact CA-O 3.21Å; K335-Y341 HydrophobicContact CD-CE1 4.41Å; K335-Y341 HydrophobicContact CG-CD1 3.92Å; K335-Y341 HydrophobicContact CG-CE1 4.12Å; K335-K342 WeakPolarHBondContact O-CE 3.32Å
336	N	91.5	Very high	95.3	Very high	31 Å²	31	45.3 Å²	45.3	17%	0.166	27%	0.267	C	S	.	.			trans	-72.8	165.2	163.6	-67.8	-57.7	0	0	0	110.6	S273 D338 G339 T340 Y341 K342	S273-N336 WeakPolarHBondContact CB-ND2 3.35Å; N336-D338 WeakPolarHBondContact CB-OD1 3.23Å; N336-D338 PolarHBondContact O-N 2.68Å; N336-G339 PolarHBondContact O-N 2.89Å; N336-T340 WeakPolarHBondContact CB-OG1 3.43Å; N336-T340 PolarHBondContact N-O 3.02Å; N336-T340 PolarHBondContact ND2-OG1 3.49Å; N336-Y341 PolarHBondContact ND2-O 2.92Å; N336-K342 VanDerWaalsContact OD1-CD 3.27Å; N336-K342 WeakPolarHBondContact OD1-CD 3.35Å; N336-K342 WeakPolarHBondContact OD1-CE 3.22Å; N336-K342 PolarHBondContact OD1-NZ 3.43Å
337	A	89.4	Confident	95.2	Very high	119 Å²	119	46.7 Å²	46.7	98%	0.983	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-24.1	178.5	0	0	0	0	0	113.5	G339	A337-G339 VanDerWaalsContact C-N 3.29Å
338	D	89.4	Confident	95.1	Very high	122 Å²	122	47.8 Å²	47.8	65%	0.652	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-1.5	175.9	68.3	-1.4	0	0	0	113.6	N336 T340	N336-D338 WeakPolarHBondContact CB-OD1 3.23Å; N336-D338 PolarHBondContact O-N 2.68Å; D338-T340 WeakPolarHBondContact OD1-CB 3.41Å; D338-T340 WeakPolarHBondContact OD1-CG2 3.38Å; D338-T340 PolarHBondContact OD1-N 3.17Å; D338-T340 PolarHBondContact OD1-OG1 2.9Å
339	G	88.9	Confident	94.9	Very high	41 Å²	41	47.4 Å²	47.4	42%	0.423	27%	0.272	S	S	.	.	S	Bend	trans	88.7	-5.6	-179.8	0	0	0	0	0	115.1	N336 A337	N336-G339 PolarHBondContact O-N 2.89Å; A337-G339 VanDerWaalsContact C-N 3.29Å
340	T	91.5	Very high	94.7	Very high	52 Å²	52	51.5 Å²	51.5	32%	0.319	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-67.4	152.4	171.5	62	0	0	0	0	110.7	K335 N336 D338	K335-T340 CarbonylContact C-O 3.59Å; K335-T340 VanDerWaalsContact CA-O 3.26Å; K335-T340 WeakPolarHBondContact CA-O 3.21Å; N336-T340 WeakPolarHBondContact CB-OG1 3.43Å; N336-T340 PolarHBondContact N-O 3.02Å; N336-T340 PolarHBondContact ND2-OG1 3.49Å; D338-T340 WeakPolarHBondContact OD1-CB 3.41Å; D338-T340 WeakPolarHBondContact OD1-CG2 3.38Å; D338-T340 PolarHBondContact OD1-N 3.17Å; D338-T340 PolarHBondContact OD1-OG1 2.9Å
341	Y	94.8	Very high	94.4	Very high	56 Å²	56	49.1 Å²	49.1	22%	0.22	30%	0.295	C	S	.	.	B	Isolated β-bridge	trans	-76.6	151.6	-178.8	-71.5	-77.8	0	0	0	112.1	Y277 T334 K335 N336 L365 P366	Y277-Y341 WeakPolarHBondContact CE2-O 3.42Å; Y277-Y341 PolarHBondContact OH-O 3.31Å; T334-Y341 WeakPolarHBondContact O-CA 3.39Å; T334-Y341 WeakPolarHBondContact O-CD1 3.32Å; K335-Y341 HydrophobicContact CD-CE1 4.41Å; K335-Y341 HydrophobicContact CG-CD1 3.92Å; K335-Y341 HydrophobicContact CG-CE1 4.12Å; N336-Y341 PolarHBondContact ND2-O 2.92Å; Y341-L365 WeakPolarHBondContact CB-O 3.4Å; Y341-L365 HydrophobicContact CD1-CB 4.5Å; Y341-P366 HydrophobicContact CD1-CG 4.41Å; Y341-P366 HydrophobicContact CE1-CB 4.26Å; Y341-P366 HydrophobicContact CE1-CG 3.96Å; Y341-P366 HydrophobicContact CE2-CG 4.36Å
342	K	97.1	Very high	94.1	Very high	30 Å²	30	53.5 Å²	53.5	13%	0.13	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-75.3	146.3	176.9	-72.2	-76.6	-170.5	-171.6	0	111.4	D271 S273 P333 T334 K335 N336 Y344 L365	D271-K342 WeakPolarHBondContact OD2-CD 3.4Å; D271-K342 WeakPolarHBondContact OD2-CE 3.42Å; D271-K342 IonicContact OD2-NZ 2.71Å; D271-K342 PolarHBondContact OD2-NZ 2.87Å; S273-K342 WeakPolarHBondContact OG-CA 3.38Å; S273-K342 WeakPolarHBondContact OG-CD 3.28Å; P333-K342 WeakPolarHBondContact O-CG 3.21Å; T334-K342 PolarHBondContact O-N 2.87Å; K335-K342 WeakPolarHBondContact O-CE 3.32Å; N336-K342 VanDerWaalsContact OD1-CD 3.27Å; N336-K342 WeakPolarHBondContact OD1-CD 3.35Å; N336-K342 WeakPolarHBondContact OD1-CE 3.22Å; N336-K342 PolarHBondContact OD1-NZ 3.43Å; K342-Y344 HydrophobicContact CB-CD2 4.23Å; K342-Y344 HydrophobicContact CB-CE2 3.49Å; K342-Y344 VanDerWaalsContact CB-CE2 3.49Å; K342-Y344 HydrophobicContact CG-CE2 4.31Å; K342-L365 HydrophobicContact CB-CD1 4.37Å; K342-L365 WeakPolarHBondContact O-CB 3.22Å; K342-L365 PolarHBondContact O-N 3.06Å; K342-L365 VanDerWaalsContact O-N 3.07Å
343	V	98	Very high	93.7	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	124.4	169.2	-170.5	0	0	0	0	108.4	I272 S273 F276 Y277 I362 M363 M364	I272-V343 HydrophobicContact CD1-CG1 3.94Å; I272-V343 HydrophobicContact CG1-CB 4.17Å; I272-V343 HydrophobicContact CG1-CG1 3.91Å; I272-V343 WeakPolarHBondContact CG1-O 3.2Å; I272-V343 PolarHBondContact N-O 2.75Å; S273-V343 PolarHBondContact OG-N 2.81Å; F276-V343 HydrophobicContact CB-CB 4.32Å; F276-V343 HydrophobicContact CB-CG1 4.22Å; F276-V343 HydrophobicContact CB-CG2 4.47Å; F276-V343 HydrophobicContact CD1-CB 4.37Å; F276-V343 HydrophobicContact CD1-CG1 4.09Å; F276-V343 HydrophobicContact CD1-CG2 3.81Å; F276-V343 HydrophobicContact CD2-CG1 4Å; F276-V343 HydrophobicContact CE1-CG1 4.48Å; F276-V343 HydrophobicContact CE1-CG2 4.35Å; F276-V343 HydrophobicContact CE2-CG1 4.4Å; F276-V343 HydrophobicContact CG-CB 4.29Å; F276-V343 HydrophobicContact CG-CG1 3.83Å; F276-V343 HydrophobicContact CG-CG2 4.24Å; Y277-V343 HydrophobicContact CE2-CG2 4.19Å; V343-I362 HydrophobicContact CG1-CG2 3.65Å; V343-M363 WeakPolarHBondContact CA-O 3.18Å; V343-M364 HydrophobicContact CG1-CB 4.37Å; V343-M364 HydrophobicContact CG2-CB 4.35Å; V343-M364 HydrophobicContact CG2-CG 4.09Å
344	Y	98.4	Very high	93.4	Very high	2 Å²	2	53.9 Å²	53.9	1%	0.008	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	139.3	-178.1	-64.1	-75.5	0	0	0	111.5	W270 D271 V315 L332 P333 K342 I362 M363 L365	W270-Y344 CarbonylContact O-C 3.45Å; W270-Y344 VanDerWaalsContact O-CA 3.25Å; W270-Y344 WeakPolarHBondContact O-CA 3.48Å; D271-Y344 HydrophobicContact CB-CD1 4.27Å; D271-Y344 HydrophobicContact CB-CE1 4.07Å; V315-Y344 HydrophobicContact CG1-CE1 4.41Å; V315-Y344 HydrophobicContact CG2-CD1 4.29Å; V315-Y344 HydrophobicContact CG2-CE1 3.96Å; L332-Y344 HydrophobicContact CB-CE2 4.07Å; L332-Y344 HydrophobicContact CD1-CD2 4.43Å; L332-Y344 HydrophobicContact CD1-CE2 4.46Å; P333-Y344 VanDerWaalsContact CD-OH 3.31Å; P333-Y344 WeakPolarHBondContact CD-OH 3.36Å; P333-Y344 WeakPolarHBondContact O-CE2 3.29Å; P333-Y344 PolarHBondContact O-OH 3.1Å; K342-Y344 HydrophobicContact CB-CD2 4.23Å; K342-Y344 HydrophobicContact CB-CE2 3.49Å; K342-Y344 VanDerWaalsContact CB-CE2 3.49Å; K342-Y344 HydrophobicContact CG-CE2 4.31Å; Y344-I362 CarbonylContact O-C 3.57Å; Y344-I362 VanDerWaalsContact O-CA 3.31Å; Y344-I362 WeakPolarHBondContact O-CA 3.38Å; Y344-M363 HydrophobicContact CD2-CE 3.49Å; Y344-M363 VanDerWaalsContact CD2-CE 3.49Å; Y344-M363 HydrophobicContact CE2-CE 4.26Å; Y344-M363 HydrophobicContact CG-CE 4.24Å; Y344-M363 PolarHBondContact N-O 3.31Å; Y344-M363 PolarHBondContact O-N 2.89Å; Y344-L365 HydrophobicContact CD2-CD1 4.24Å; Y344-L365 HydrophobicContact CE2-CD1 3.82Å
345	F	98.2	Very high	93.3	Very high	17 Å²	17	58.6 Å²	58.6	8%	0.075	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	127.9	168	-173.1	-74.8	0	0	0	108.5	W270 I272 F304 L306 E347 K360 I362	W270-F345 HydrophobicContact CB-CB 4.32Å; W270-F345 PolarHBondContact N-O 3.4Å; W270-F345 PolarHBondContact O-N 2.89Å; I272-F345 HydrophobicContact CD1-CB 3.93Å; I272-F345 HydrophobicContact CD1-CD2 4.49Å; I272-F345 HydrophobicContact CG1-CB 4.19Å; I272-F345 HydrophobicContact CG2-CB 3.79Å; F304-F345 AromaticContact CD1-CD2 3.92Å; F304-F345 HydrophobicContact CD1-CD2 3.92Å; F304-F345 HydrophobicContact CD1-CE2 4.24Å; F304-F345 HydrophobicContact CE1-CD2 4.27Å; L306-F345 HydrophobicContact CB-CD1 4.47Å; L306-F345 HydrophobicContact CB-CE1 4.23Å; L306-F345 HydrophobicContact CB-CE2 4.36Å; L306-F345 HydrophobicContact CB-CZ 4.2Å; L306-F345 HydrophobicContact CD1-CD1 4.48Å; L306-F345 HydrophobicContact CD1-CG 4.45Å; L306-F345 HydrophobicContact CD2-CD1 3.99Å; L306-F345 HydrophobicContact CD2-CE1 4.02Å; F345-E347 HydrophobicContact CD1-CB 4.04Å; F345-E347 HydrophobicContact CE1-CB 3.84Å; F345-E347 HydrophobicContact CE1-CG 4.49Å; F345-K360 HydrophobicContact CE2-CB 4.01Å; F345-K360 HydrophobicContact CE2-CD 4.08Å; F345-K360 HydrophobicContact CE2-CG 4.37Å; F345-K360 HydrophobicContact CZ-CD 4.13Å; F345-I362 HydrophobicContact CB-CG1 4.37Å; F345-I362 HydrophobicContact CD2-CD1 3.75Å; F345-I362 HydrophobicContact CD2-CG1 3.48Å; F345-I362 VanDerWaalsContact CD2-CG1 3.48Å; F345-I362 HydrophobicContact CE2-CD1 4.19Å; F345-I362 HydrophobicContact CE2-CG1 4.12Å; F345-I362 HydrophobicContact CG-CG1 4.23Å
346	F	97.6	Very high	92.9	Very high	4 Å²	4	57.2 Å²	57.2	2%	0.018	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	99.2	174.8	-62.3	-82.9	0	0	0	108.9	V231 I233 F267 T268 A269 F329 L332 E348 L361 M363 L380	V231-F346 HydrophobicContact CB-CZ 4.2Å; V231-F346 HydrophobicContact CG1-CE1 4.3Å; V231-F346 HydrophobicContact CG1-CE2 4.35Å; V231-F346 HydrophobicContact CG1-CZ 3.84Å; V231-F346 HydrophobicContact CG2-CZ 4.1Å; I233-F346 HydrophobicContact CD1-CB 3.91Å; I233-F346 HydrophobicContact CD1-CD1 3.79Å; I233-F346 HydrophobicContact CD1-CG 3.89Å; F267-F346 HydrophobicContact CD1-CB 4.47Å; T268-F346 CarbonylContact O-C 3.54Å; T268-F346 WeakPolarHBondContact O-CA 3.33Å; A269-F346 HydrophobicContact CB-CD1 3.96Å; A269-F346 HydrophobicContact CB-CE1 3.87Å; F329-F346 AromaticContact CD2-CD1 3.99Å; F329-F346 HydrophobicContact CD2-CD1 3.99Å; F329-F346 AromaticContact CD2-CE1 3.7Å; F329-F346 HydrophobicContact CD2-CE1 3.7Å; F329-F346 AromaticContact CE2-CD1 3.77Å; F329-F346 HydrophobicContact CE2-CD1 3.77Å; F329-F346 AromaticContact CE2-CE1 3.97Å; F329-F346 HydrophobicContact CE2-CE1 3.97Å; F329-F346 HydrophobicContact CG-CE1 4.02Å; F329-F346 HydrophobicContact CZ-CD1 4.17Å; L332-F346 HydrophobicContact CD1-CE1 4.27Å; L332-F346 HydrophobicContact CD1-CZ 4.03Å; F346-E348 PolarHBondContact O-N 2.89Å; F346-L361 HydrophobicContact CB-CB 4.25Å; F346-L361 HydrophobicContact CB-CD2 3.81Å; F346-L361 HydrophobicContact CB-CG 4.06Å; F346-L361 HydrophobicContact CD2-CD2 4.39Å; F346-L361 HydrophobicContact CD2-CG 4.19Å; F346-L361 HydrophobicContact CG-CD2 4.37Å; F346-L361 PolarHBondContact N-O 2.98Å; F346-M363 HydrophobicContact CE2-CB 3.89Å; F346-M363 HydrophobicContact CE2-CE 4.2Å; F346-M363 HydrophobicContact CE2-SD 4.37Å; F346-M363 HydrophobicContact CZ-CE 4.12Å; F346-L380 HydrophobicContact CD2-CD1 3.87Å; F346-L380 HydrophobicContact CE2-CD1 3.66Å; F346-L380 HydrophobicContact CZ-CD1 4.43Å
347	E	96.5	Very high	92.4	Very high	62 Å²	62	56.2 Å²	56.2	29%	0.29	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	121.5	178.1	-179.2	-177.2	-154.3	0	0	109.8	F267 T268 W270 L306 F345	F267-E347 CarbonylContact C-O 3.51Å; F267-E347 VanDerWaalsContact CA-O 3.22Å; F267-E347 WeakPolarHBondContact CA-O 3.42Å; T268-E347 PolarHBondContact N-O 3.24Å; T268-E347 PolarHBondContact O-N 3.39Å; W270-E347 PolarHBondContact NE1-OE2 3.4Å; L306-E347 HydrophobicContact CD2-CB 4.12Å; L306-E347 HydrophobicContact CD2-CG 4.3Å; F345-E347 HydrophobicContact CD1-CB 4.04Å; F345-E347 HydrophobicContact CE1-CB 3.84Å; F345-E347 HydrophobicContact CE1-CG 4.49Å
348	E	95.6	Very high	91.9	Very high	25 Å²	25	56.3 Å²	56.3	12%	0.117	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	126.9	173	-172.7	169	159.3	0	0	110.7	K235 I265 F267 F346 I356 N384	K235-E348 WeakPolarHBondContact CE-OE1 3.46Å; K235-E348 IonicContact NZ-OE1 3.06Å; K235-E348 PolarHBondContact NZ-OE1 3.17Å; K235-E348 IonicContact NZ-OE2 2.64Å; K235-E348 PolarHBondContact NZ-OE2 3.28Å; I265-E348 HydrophobicContact CG2-CG 3.69Å; I265-E348 WeakPolarHBondContact CG2-OE1 3.13Å; F267-E348 HydrophobicContact CD1-CB 3.96Å; F267-E348 HydrophobicContact CD1-CG 4.32Å; F267-E348 HydrophobicContact CE1-CB 3.56Å; F267-E348 HydrophobicContact CE1-CG 3.71Å; F267-E348 WeakPolarHBondContact CE1-OE2 3.48Å; F267-E348 HydrophobicContact CZ-CB 4.2Å; F267-E348 HydrophobicContact CZ-CG 3.81Å; F267-E348 WeakPolarHBondContact CZ-OE2 3.28Å; F346-E348 PolarHBondContact O-N 2.89Å; E348-I356 HydrophobicContact CB-CD1 4.07Å; E348-I356 HydrophobicContact CG-CD1 3.83Å; E348-I356 HydrophobicContact CG-CG1 4.27Å; E348-N384 PolarHBondContact OE1-ND2 3.01Å; E348-N384 PolarHBondContact OE1-OD1 3.05Å
349	H	95	Very high	91.3	Very high	61 Å²	61	53.8 Å²	53.8	28%	0.282	31%	0.312	S	S	.	.	P	Polyproline II helix	trans	-79.5	137.3	177.7	-64.1	-177.6	0	0	0	110.7	T266 T268 D318 S351	T266-H349 PolarHBondContact O-N 3.26Å; T268-H349 PolarHBondContact OG1-CE1 3.44Å; T268-H349 VanDerWaalsContact OG1-CE1 3.27Å; T268-H349 PolarHBondContact OG1-NE2 3.21Å; D318-H349 IonicContact OD2-CE1 2.8Å; H349-S351 PolarHBondContact O-N 2.93Å; H349-S351 PolarHBondContact O-OG 2.89Å
350	A	93	Very high	91.2	Very high	95 Å²	95	54.6 Å²	54.6	79%	0.785	30%	0.304	S	S	*	.	P	Polyproline II helix	trans	-56.4	134.6	175.8	0	0	0	0	0	111.4
351	S	91.2	Very high	91.3	Very high	39 Å²	39	52.7 Å²	52.7	27%	0.273	29%	0.292	S	S	.	.	B	Isolated β-bridge	trans	-131.2	146.7	180	-62.5	0	0	0	0	109.7	H349 V354	H349-S351 PolarHBondContact O-N 2.93Å; H349-S351 PolarHBondContact O-OG 2.89Å; S351-V354 PolarHBondContact O-N 3.47Å
352	Q	87.4	Confident	91.3	Very high	202 Å²	202	51 Å²	51	94%	0.944	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	136.4	-179	-175.4	179	-5.4	0	0	110.9	V354	Q352-V354 PolarHBondContact O-N 2.89Å
353	G	87	Confident	91.2	Very high	46 Å²	46	49.7 Å²	49.7	47%	0.474	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.9	7.1	179.2	0	0	0	0	0	114.8	E387	G353-E387 PolarHBondContact O-N 3.4Å
354	V	91.5	Very high	91	Very high	24 Å²	24	51.2 Å²	51.2	15%	0.145	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	118.4	-176.5	-176.1	0	0	0	0	109.9	L262 I265 S351 Q352 N384 V386	L262-V354 HydrophobicContact CD2-CG1 4.1Å; L262-V354 HydrophobicContact CD2-CG2 4.22Å; I265-V354 HydrophobicContact CD1-CG1 4.37Å; I265-V354 HydrophobicContact CD1-CG2 4.14Å; S351-V354 PolarHBondContact O-N 3.47Å; Q352-V354 PolarHBondContact O-N 2.89Å; V354-N384 HydrophobicContact CG1-CB 3.95Å; V354-N384 WeakPolarHBondContact CG1-ND2 3.39Å; V354-V386 HydrophobicContact CG2-CG2 4.38Å
355	E	92	Very high	90.9	Very high	111 Å²	111	51.3 Å²	51.3	52%	0.519	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	120.6	173.7	-172.9	-176.8	173.1	0	0	109.9	F241 N384 K385	F241-E355 HydrophobicContact CE2-CG 4.34Å; F241-E355 HydrophobicContact CZ-CG 4.13Å; E355-N384 WeakPolarHBondContact O-CA 3.49Å; E355-N384 WeakPolarHBondContact O-CB 3.39Å; E355-K385 HydrophobicContact CB-CB 4.18Å; E355-K385 PolarHBondContact N-O 2.84Å; E355-K385 PolarHBondContact O-N 3.44Å
356	I	87.6	Confident	90.5	Very high	63 Å²	63	51.4 Å²	51.4	32%	0.323	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	130.3	178.3	-54.3	171.2	0	0	0	108.3	E348	E348-I356 HydrophobicContact CB-CD1 4.07Å; E348-I356 HydrophobicContact CG-CD1 3.83Å; E348-I356 HydrophobicContact CG-CG1 4.27Å
357	G	80.8	Confident	90.1	Very high	10 Å²	10	52.8 Å²	52.8	10%	0.103	30%	0.299	C	S	.	.	P	Polyproline II helix	trans	-64.3	161.5	177.1	0	0	0	0	0	112.8	F241 Y359	F241-G357 VanDerWaalsContact CZ-CA 3.45Å; G357-Y359 PolarHBondContact O-N 3.05Å
358	S	77.7	Confident	89.6	Confident	121 Å²	121	53.4 Å²	53.4	85%	0.846	30%	0.3	S	S	*	.	S	Bend	trans	-71.8	-7.9	-178	61.8	0	0	0	0	114.7
359	Y	76.6	Confident	89.1	Confident	68 Å²	68	52.7 Å²	52.7	27%	0.267	30%	0.299	S	S	.	.			trans	-74.8	145.6	-179.3	66.3	-84.3	0	0	0	110.9	G357 P382 K383	G357-Y359 PolarHBondContact O-N 3.05Å; Y359-P382 HydrophobicContact CE2-CB 3.89Å; Y359-P382 WeakPolarHBondContact OH-CA 3.45Å; Y359-P382 WeakPolarHBondContact OH-CB 3.41Å; Y359-K383 HydrophobicContact CE1-CB 3.77Å; Y359-K383 HydrophobicContact CE1-CG 4.24Å; Y359-K383 WeakPolarHBondContact CE1-O 3.3Å; Y359-K383 VanDerWaalsContact CZ-O 3.26Å; Y359-K383 VanDerWaalsContact OH-C 3.31Å; Y359-K383 PolarHBondContact OH-N 2.93Å; Y359-K383 PolarHBondContact OH-O 3.36Å
360	K	86.6	Confident	88.6	Confident	59 Å²	59	54.5 Å²	54.5	26%	0.257	32%	0.319	S	S	.	.			trans	-94.4	127.4	175.4	-56.1	-58.6	-158.7	-98.9	0	109.1	F304 E305 F345 I362	F304-K360 VanDerWaalsContact O-CE 3.24Å; F304-K360 WeakPolarHBondContact O-CE 3.46Å; E305-K360 WeakPolarHBondContact OE1-CE 3.34Å; E305-K360 IonicContact OE1-NZ 3.31Å; E305-K360 PolarHBondContact OE1-NZ 3.17Å; E305-K360 IonicContact OE2-NZ 2.71Å; F345-K360 HydrophobicContact CE2-CB 4.01Å; F345-K360 HydrophobicContact CE2-CD 4.08Å; F345-K360 HydrophobicContact CE2-CG 4.37Å; F345-K360 HydrophobicContact CZ-CD 4.13Å; K360-I362 HydrophobicContact CB-CD1 4.14Å; K360-I362 HydrophobicContact CB-CG1 4.29Å; K360-I362 PolarHBondContact O-N 2.93Å; K360-I362 VanDerWaalsContact O-N 3.1Å
361	L	94	Very high	88	Confident	12 Å²	12	55.5 Å²	55.5	6%	0.063	31%	0.311	C	S	.	.			trans	-85.6	83.7	178.6	-170.5	61.2	0	0	0	110.3	I233 F346 L380 P382	I233-L361 HydrophobicContact CD1-CD2 3.97Å; I233-L361 HydrophobicContact CG1-CD2 4.43Å; F346-L361 HydrophobicContact CB-CB 4.25Å; F346-L361 HydrophobicContact CB-CD2 3.81Å; F346-L361 HydrophobicContact CB-CG 4.06Å; F346-L361 HydrophobicContact CD2-CD2 4.39Å; F346-L361 HydrophobicContact CD2-CG 4.19Å; F346-L361 HydrophobicContact CG-CD2 4.37Å; F346-L361 PolarHBondContact N-O 2.98Å; L361-L380 HydrophobicContact CD1-CB 4.27Å; L361-L380 HydrophobicContact CD1-CD1 4.2Å; L361-L380 HydrophobicContact CD2-CB 4.42Å; L361-L380 HydrophobicContact CD2-CD1 4.32Å; L361-L380 HydrophobicContact CG-CD1 4.27Å; L361-P382 HydrophobicContact CD2-CB 4.12Å; L361-P382 HydrophobicContact CD2-CG 4.09Å
362	I	95.9	Very high	87.6	Confident	20 Å²	20	55.6 Å²	55.6	10%	0.103	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	134.7	178.7	-64.4	172	0	0	0	110.3	I272 F276 M301 F304 V343 Y344 F345 K360	I272-I362 HydrophobicContact CD1-CD1 4.13Å; I272-I362 HydrophobicContact CD1-CG1 4.27Å; I272-I362 HydrophobicContact CD1-CG2 4.16Å; F276-I362 HydrophobicContact CE2-CG2 4.33Å; M301-I362 HydrophobicContact CB-CB 4.44Å; M301-I362 HydrophobicContact CB-CD1 4.34Å; M301-I362 HydrophobicContact CE-CG2 4.47Å; M301-I362 HydrophobicContact CG-CB 4.14Å; M301-I362 HydrophobicContact CG-CG2 3.88Å; M301-I362 WeakPolarHBondContact O-CD1 3.18Å; M301-I362 HydrophobicContact SD-CG2 4.34Å; F304-I362 HydrophobicContact CB-CD1 3.57Å; F304-I362 HydrophobicContact CD1-CD1 3.93Å; F304-I362 HydrophobicContact CG-CD1 3.89Å; V343-I362 HydrophobicContact CG1-CG2 3.65Å; Y344-I362 CarbonylContact O-C 3.57Å; Y344-I362 VanDerWaalsContact O-CA 3.31Å; Y344-I362 WeakPolarHBondContact O-CA 3.38Å; F345-I362 HydrophobicContact CB-CG1 4.37Å; F345-I362 HydrophobicContact CD2-CD1 3.75Å; F345-I362 HydrophobicContact CD2-CG1 3.48Å; F345-I362 VanDerWaalsContact CD2-CG1 3.48Å; F345-I362 HydrophobicContact CE2-CD1 4.19Å; F345-I362 HydrophobicContact CE2-CG1 4.12Å; F345-I362 HydrophobicContact CG-CG1 4.23Å; K360-I362 HydrophobicContact CB-CD1 4.14Å; K360-I362 HydrophobicContact CB-CG1 4.29Å; K360-I362 PolarHBondContact O-N 2.93Å; K360-I362 VanDerWaalsContact O-N 3.1Å
363	M	95.2	Very high	87.6	Confident	3 Å²	3	51.5 Å²	51.5	2%	0.015	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	114.6	177	-178.2	-176.4	72.5	0	0	109.6	V229 V231 L332 V343 Y344 F346 L365 M367 I378 L380	V229-M363 HydrophobicContact CG2-CE 4.34Å; V231-M363 HydrophobicContact CG2-CE 3.65Å; V231-M363 HydrophobicContact CG2-SD 3.76Å; L332-M363 HydrophobicContact CD1-CE 4.44Å; V343-M363 WeakPolarHBondContact CA-O 3.18Å; Y344-M363 HydrophobicContact CD2-CE 3.49Å; Y344-M363 VanDerWaalsContact CD2-CE 3.49Å; Y344-M363 HydrophobicContact CE2-CE 4.26Å; Y344-M363 HydrophobicContact CG-CE 4.24Å; Y344-M363 PolarHBondContact N-O 3.31Å; Y344-M363 PolarHBondContact O-N 2.89Å; F346-M363 HydrophobicContact CE2-CB 3.89Å; F346-M363 HydrophobicContact CE2-CE 4.2Å; F346-M363 HydrophobicContact CE2-SD 4.37Å; F346-M363 HydrophobicContact CZ-CE 4.12Å; M363-L365 HydrophobicContact CE-CD1 4.26Å; M363-L365 HydrophobicContact CE-CD2 4.03Å; M363-L365 HydrophobicContact CE-CG 4.18Å; M363-L365 HydrophobicContact CG-CD2 4.33Å; M363-L365 HydrophobicContact SD-CD2 4.2Å; M363-M367 HydrophobicContact CG-CG 4.28Å; M363-M367 HydrophobicContact CG-SD 3.72Å; M363-M367 HydrophobicContact SD-SD 4.21Å; M363-I378 HydrophobicContact CE-CD1 4.34Å; M363-I378 HydrophobicContact SD-CB 4.26Å; M363-I378 HydrophobicContact SD-CD1 3.5Å; M363-I378 WeakPolarHBondContact SD-CD1 3.28Å; M363-I378 HydrophobicContact SD-CG1 4.46Å; M363-I378 HydrophobicContact SD-CG2 3.75Å; M363-L380 HydrophobicContact CB-CD1 4.5Å; M363-L380 HydrophobicContact SD-CD1 4.48Å
364	M	93.9	Very high	87.7	Confident	32 Å²	32	51.8 Å²	51.8	16%	0.158	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	125	172.3	177.2	173.4	175.1	0	0	109.7	F276 Y277 Y293 M301 V343	F276-M364 HydrophobicContact CE1-SD 3.93Å; F276-M364 HydrophobicContact CZ-SD 4.4Å; Y277-M364 HydrophobicContact CE1-CE 4.1Å; Y293-M364 HydrophobicContact CE1-CE 4.1Å; Y293-M364 WeakPolarHBondContact OH-CE 3.27Å; M301-M364 HydrophobicContact CE-CB 3.44Å; M301-M364 VanDerWaalsContact CE-CB 3.44Å; M301-M364 HydrophobicContact CE-CG 4.39Å; M301-M364 HydrophobicContact CE-SD 4.1Å; V343-M364 HydrophobicContact CG1-CB 4.37Å; V343-M364 HydrophobicContact CG2-CB 4.35Å; V343-M364 HydrophobicContact CG2-CG 4.09Å
365	L	94.5	Very high	87.7	Confident	3 Å²	3	51.9 Å²	51.9	2%	0.016	29%	0.29	C	S	.	.	S	Bend	trans	-90.3	156.9	179.8	-66.3	175.6	0	0	0	112	V229 T334 Y341 K342 Y344 M363 M367 I378	V229-L365 HydrophobicContact CG1-CD2 4.34Å; V229-L365 HydrophobicContact CG2-CD1 3.87Å; V229-L365 HydrophobicContact CG2-CD2 4.26Å; T334-L365 HydrophobicContact CG2-CD1 4.19Å; Y341-L365 WeakPolarHBondContact CB-O 3.4Å; Y341-L365 HydrophobicContact CD1-CB 4.5Å; K342-L365 HydrophobicContact CB-CD1 4.37Å; K342-L365 WeakPolarHBondContact O-CB 3.22Å; K342-L365 PolarHBondContact O-N 3.06Å; K342-L365 VanDerWaalsContact O-N 3.07Å; Y344-L365 HydrophobicContact CD2-CD1 4.24Å; Y344-L365 HydrophobicContact CE2-CD1 3.82Å; M363-L365 HydrophobicContact CE-CD1 4.26Å; M363-L365 HydrophobicContact CE-CD2 4.03Å; M363-L365 HydrophobicContact CE-CG 4.18Å; M363-L365 HydrophobicContact CG-CD2 4.33Å; M363-L365 HydrophobicContact SD-CD2 4.2Å; L365-M367 HydrophobicContact CD2-CG 4.46Å; L365-I378 HydrophobicContact CD2-CD1 3.52Å
366	P	91.8	Very high	87.7	Confident	20 Å²	20	50.2 Å²	50.2	13%	0.13	29%	0.287	C	S	.	.	P	Polyproline II helix	cis	-77	143.1	-9.8	33.5	-31	0	0	0	111	Y341 D374	Y341-P366 HydrophobicContact CD1-CG 4.41Å; Y341-P366 HydrophobicContact CE1-CB 4.26Å; Y341-P366 HydrophobicContact CE1-CG 3.96Å; Y341-P366 HydrophobicContact CE2-CG 4.36Å; P366-D374 HydrophobicContact CB-CB 4.33Å
367	M	88.5	Confident	88.1	Confident	33 Å²	33	53.8 Å²	53.8	16%	0.163	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-86.3	132.5	166.9	-69.5	-169.6	72.6	0	0	109.2	M363 L365 L375 I378	M363-M367 HydrophobicContact CG-CG 4.28Å; M363-M367 HydrophobicContact CG-SD 3.72Å; M363-M367 HydrophobicContact SD-SD 4.21Å; L365-M367 HydrophobicContact CD2-CG 4.46Å; M367-L375 HydrophobicContact CB-CD1 4.15Å; M367-L375 WeakPolarHBondContact O-CB 3.47Å; M367-L375 PolarHBondContact O-N 2.76Å; M367-I378 HydrophobicContact CB-CD1 4.27Å; M367-I378 HydrophobicContact CG-CD1 4.31Å; M367-I378 HydrophobicContact SD-CD1 4.2Å; M367-I378 HydrophobicContact SD-CG2 3.62Å
368	K	85.9	Confident	88.9	Confident	75 Å²	75	53.3 Å²	53.3	33%	0.326	30%	0.295	S	S	.	.	B	Isolated β-bridge	trans	-102.4	132.7	177.7	-68.8	-176.3	176.8	-177.8	0	110.8	G218 Q373	G218-K368 VanDerWaalsContact N-NZ 3.13Å; K368-Q373 CarbonylContact C-O 3.59Å; K368-Q373 VanDerWaalsContact CA-O 3.29Å; K368-Q373 WeakPolarHBondContact CA-O 3.46Å
369	G	84.8	Confident	89.8	Confident	9 Å²	9	48.6 Å²	48.6	9%	0.093	26%	0.26	C	S	.	.			trans	-75.4	178.1	175.1	0	0	0	0	0	112.4	N371 G372 Q373	G369-N371 PolarHBondContact O-N 2.8Å; G369-G372 PolarHBondContact O-N 2.77Å; G369-Q373 PolarHBondContact N-O 3.43Å
370	S	84.7	Confident	90.8	Very high	100 Å²	100	45.6 Å²	45.6	70%	0.699	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-21.8	178.4	-66.4	0	0	0	0	114.1	E251 G372	E251-S370 PolarHBondContact OE1-N 3.19Å; E251-S370 WeakPolarHBondContact OE2-CB 3.33Å; E251-S370 PolarHBondContact OE2-N 2.87Å; E251-S370 PolarHBondContact OE2-OG 3.49Å; S370-G372 VanDerWaalsContact C-N 3.34Å
371	N	81.4	Confident	91.1	Very high	115 Å²	115	43 Å²	43	62%	0.615	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.3	-2	175.1	66.2	3.7	0	0	0	114	G369 Q373	G369-N371 PolarHBondContact O-N 2.8Å; N371-Q373 VanDerWaalsContact C-N 3.29Å; N371-Q373 PolarHBondContact O-N 3.03Å; N371-Q373 VanDerWaalsContact OD1-CB 3.3Å; N371-Q373 WeakPolarHBondContact OD1-CB 3.48Å; N371-Q373 PolarHBondContact OD1-N 2.91Å
372	G	82.4	Confident	91	Very high	42 Å²	42	42.6 Å²	42.6	43%	0.433	24%	0.235	S	C	.	.	S	Bend	trans	78.7	3.3	-177.9	0	0	0	0	0	115.3	G369 S370	G369-G372 PolarHBondContact O-N 2.77Å; S370-G372 VanDerWaalsContact C-N 3.34Å
373	Q	86.1	Confident	90.5	Very high	116 Å²	116	42.5 Å²	42.5	54%	0.542	23%	0.234	S	C	.	.	S	Bend	trans	-88.1	152.8	176.6	-58	-63	-22.2	0	0	111.1	K368 G369 N371 L375	K368-Q373 CarbonylContact C-O 3.59Å; K368-Q373 VanDerWaalsContact CA-O 3.29Å; K368-Q373 WeakPolarHBondContact CA-O 3.46Å; G369-Q373 PolarHBondContact N-O 3.43Å; N371-Q373 VanDerWaalsContact C-N 3.29Å; N371-Q373 PolarHBondContact O-N 3.03Å; N371-Q373 VanDerWaalsContact OD1-CB 3.3Å; N371-Q373 WeakPolarHBondContact OD1-CB 3.48Å; N371-Q373 PolarHBondContact OD1-N 2.91Å; Q373-L375 PolarHBondContact O-N 2.86Å
374	D	88.9	Confident	90.1	Very high	52 Å²	52	42.4 Å²	42.4	28%	0.278	23%	0.233	S	C	.	.	B	Isolated β-bridge	trans	-64.3	130.6	173.7	-66.8	-7	0	0	0	110.2	P366	P366-D374 HydrophobicContact CB-CB 4.33Å
375	L	91.5	Very high	89.9	Confident	26 Å²	26	43.3 Å²	43.3	14%	0.136	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-78.7	129.5	176.6	-64.7	175.9	0	0	0	110	V229 E251 M367 Q373 I378	V229-L375 WeakPolarHBondContact CG1-O 3.42Å; E251-L375 HydrophobicContact CG-CD1 4.06Å; E251-L375 HydrophobicContact CG-CD2 4.11Å; M367-L375 HydrophobicContact CB-CD1 4.15Å; M367-L375 WeakPolarHBondContact O-CB 3.47Å; M367-L375 PolarHBondContact O-N 2.76Å; Q373-L375 PolarHBondContact O-N 2.86Å; L375-I378 HydrophobicContact CB-CG1 3.99Å
376	T	92.9	Very high	89.7	Confident	76 Å²	76	44.9 Å²	44.9	47%	0.466	25%	0.246	S	C	.	.	S	Bend	trans	-98.7	-20.4	172.9	59.5	0	0	0	0	112.8	A226 V229 D230	A226-T376 HydrophobicContact CB-CG2 3.59Å; V229-T376 CarbonylContact C-O 3.42Å; V229-T376 WeakPolarHBondContact CA-O 3.33Å; D230-T376 PolarHBondContact N-O 2.97Å
377	K	96.3	Very high	89.3	Confident	137 Å²	137	51.1 Å²	51.1	60%	0.596	27%	0.273	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120	124	169.3	-66.9	-175.9	178.2	-174.9	0	107.9	D230	D230-K377 CarbonylContact O-C 3.55Å; D230-K377 WeakPolarHBondContact O-CA 3.16Å
378	I	97.4	Very high	89.1	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	131.2	-172.9	-61.6	172.7	0	0	0	108.6	V229 D230 V231 T232 G250 M363 L365 M367 L375 L380	V229-I378 HydrophobicContact CB-CD1 4.1Å; V229-I378 HydrophobicContact CG1-CD1 4.11Å; V229-I378 HydrophobicContact CG2-CD1 4.11Å; D230-I378 PolarHBondContact O-N 2.94Å; V231-I378 CarbonylContact C-O 3.48Å; V231-I378 VanDerWaalsContact CA-O 3.29Å; V231-I378 WeakPolarHBondContact CA-O 3.42Å; V231-I378 HydrophobicContact CG2-CB 4.21Å; T232-I378 PolarHBondContact N-O 2.55Å; G250-I378 CarbonylContact O-C 3.48Å; G250-I378 VanDerWaalsContact O-CA 3.31Å; G250-I378 WeakPolarHBondContact O-CA 3.45Å; M363-I378 HydrophobicContact CE-CD1 4.34Å; M363-I378 HydrophobicContact SD-CB 4.26Å; M363-I378 HydrophobicContact SD-CD1 3.5Å; M363-I378 WeakPolarHBondContact SD-CD1 3.28Å; M363-I378 HydrophobicContact SD-CG1 4.46Å; M363-I378 HydrophobicContact SD-CG2 3.75Å; L365-I378 HydrophobicContact CD2-CD1 3.52Å; M367-I378 HydrophobicContact CB-CD1 4.27Å; M367-I378 HydrophobicContact CG-CD1 4.31Å; M367-I378 HydrophobicContact SD-CD1 4.2Å; M367-I378 HydrophobicContact SD-CG2 3.62Å; L375-I378 HydrophobicContact CB-CG1 3.99Å; I378-L380 HydrophobicContact CG2-CD2 4Å; I378-L380 HydrophobicContact CG2-CG 4.14Å
379	H	97.6	Very high	89.2	Confident	23 Å²	23	53 Å²	53	11%	0.106	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	125.5	179.5	-63.5	-100.2	0	0	0	109.3	T232 H234 G250 E252 Y381	T232-H379 WeakPolarHBondContact O-CA 3.41Å; H234-H379 AromaticContact CD2-ND1 3.85Å; H234-H379 AromaticContact CE1-ND1 3.68Å; H234-H379 AromaticContact NE2-CE1 3.86Å; H234-H379 AromaticContact NE2-CG 3.61Å; H234-H379 AromaticContact NE2-ND1 2.8Å; H234-H379 PolarHBondContact NE2-ND1 2.71Å; G250-H379 WeakPolarHBondContact CA-O 3.14Å; G250-H379 PolarHBondContact O-N 2.94Å; E252-H379 HydrophobicContact CG-CB 4.41Å; E252-H379 VanDerWaalsContact CG-CE1 3.41Å; E252-H379 WeakPolarHBondContact CG-CE1 3.37Å; E252-H379 WeakPolarHBondContact CG-ND1 3.36Å; E252-H379 IonicContact OE1-CE1 2.64Å; E252-H379 PolarHBondContact OE1-CE1 2.97Å; E252-H379 IonicContact OE1-ND1 3.98Å; E252-H379 IonicContact OE1-NE2 2.9Å; H379-Y381 HydrophobicContact CB-CE2 4.04Å
380	L	96.1	Very high	89.7	Confident	4 Å²	4	57.2 Å²	57.2	2%	0.021	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	141.4	-178	-61.4	179.8	0	0	0	110	V231 T232 I233 H234 N248 F346 L361 M363 I378 P382	V231-L380 HydrophobicContact CG1-CD1 3.72Å; V231-L380 HydrophobicContact CG1-CG 4.09Å; T232-L380 PolarHBondContact O-N 3.14Å; I233-L380 CarbonylContact C-O 3.55Å; I233-L380 WeakPolarHBondContact CA-O 3.21Å; I233-L380 HydrophobicContact CG1-CB 4.42Å; H234-L380 PolarHBondContact N-O 2.96Å; N248-L380 HydrophobicContact CB-CD2 4Å; F346-L380 HydrophobicContact CD2-CD1 3.87Å; F346-L380 HydrophobicContact CE2-CD1 3.66Å; F346-L380 HydrophobicContact CZ-CD1 4.43Å; L361-L380 HydrophobicContact CD1-CB 4.27Å; L361-L380 HydrophobicContact CD1-CD1 4.2Å; L361-L380 HydrophobicContact CD2-CB 4.42Å; L361-L380 HydrophobicContact CD2-CD1 4.32Å; L361-L380 HydrophobicContact CG-CD1 4.27Å; M363-L380 HydrophobicContact CB-CD1 4.5Å; M363-L380 HydrophobicContact SD-CD1 4.48Å; I378-L380 HydrophobicContact CG2-CD2 4Å; I378-L380 HydrophobicContact CG2-CG 4.14Å; L380-P382 WeakPolarHBondContact O-CD 3.47Å
381	Y	93.2	Very high	90.4	Very high	6 Å²	6	52.6 Å²	52.6	2%	0.024	28%	0.283	C	S	.	.			trans	-127	78.6	-173.5	-64.3	-95.6	0	0	0	110.4	H234 N248 E252 M253 F256 H379 K383	H234-Y381 HydrophobicContact CB-CD1 3.46Å; H234-Y381 VanDerWaalsContact CB-CD1 3.46Å; H234-Y381 HydrophobicContact CB-CE1 3.4Å; H234-Y381 HydrophobicContact CB-CG 4.22Å; H234-Y381 AromaticContact CD2-CE1 3.59Å; H234-Y381 AromaticContact CD2-CE2 3.81Å; H234-Y381 AromaticContact CD2-CZ 3.34Å; H234-Y381 PolarHBondContact CD2-OH 3.25Å; H234-Y381 AromaticContact CG-CE1 3.58Å; H234-Y381 AromaticContact CG-CZ 3.84Å; N248-Y381 WeakPolarHBondContact OD1-CA 3.43Å; N248-Y381 WeakPolarHBondContact OD1-CB 3.42Å; N248-Y381 PolarHBondContact OD1-N 3Å; E252-Y381 WeakPolarHBondContact CA-OH 3.47Å; M253-Y381 HydrophobicContact CB-CD2 4.2Å; M253-Y381 HydrophobicContact CB-CE2 3.71Å; M253-Y381 HydrophobicContact CG-CD2 4.1Å; M253-Y381 HydrophobicContact CG-CE2 3.74Å; M253-Y381 PolarHBondContact N-OH 3.2Å; M253-Y381 HydrophobicContact SD-CD2 3.85Å; M253-Y381 HydrophobicContact SD-CE2 4.13Å; F256-Y381 HydrophobicContact CB-CD1 3.71Å; F256-Y381 HydrophobicContact CB-CE1 3.74Å; F256-Y381 AromaticContact CD2-CD1 3.49Å; F256-Y381 HydrophobicContact CD2-CD1 3.49Å; F256-Y381 VanDerWaalsContact CD2-CD1 3.49Å; F256-Y381 HydrophobicContact CD2-CD2 4.29Å; F256-Y381 AromaticContact CD2-CE1 3.93Å; F256-Y381 HydrophobicContact CD2-CE1 3.93Å; F256-Y381 AromaticContact CD2-CG 3.7Å; F256-Y381 HydrophobicContact CD2-CG 3.7Å; F256-Y381 HydrophobicContact CE2-CD1 4.33Å; F256-Y381 HydrophobicContact CE2-CG 4.13Å; F256-Y381 AromaticContact CG-CD1 3.63Å; F256-Y381 HydrophobicContact CG-CD1 3.63Å; F256-Y381 HydrophobicContact CG-CE1 4.1Å; F256-Y381 HydrophobicContact CG-CG 4.23Å; H379-Y381 HydrophobicContact CB-CE2 4.04Å; Y381-K383 VanDerWaalsContact CB-NZ 3.29Å; Y381-K383 WeakPolarHBondContact O-CE 3.26Å; Y381-K383 PolarHBondContact O-NZ 3.26Å
382	P	92.4	Very high	91.2	Very high	2 Å²	2	50.7 Å²	50.7	1%	0.013	27%	0.27	C	S	.	.			trans	-63.9	135	170.7	26.5	-32.5	0	0	0	110.9	I233 K235 F267 Y359 L361 L380	I233-P382 HydrophobicContact CG2-CG 3.44Å; I233-P382 VanDerWaalsContact CG2-CG 3.44Å; K235-P382 HydrophobicContact CD-CB 4.42Å; K235-P382 HydrophobicContact CD-CG 3.76Å; F267-P382 HydrophobicContact CE1-CG 4.21Å; F267-P382 HydrophobicContact CZ-CG 3.92Å; Y359-P382 HydrophobicContact CE2-CB 3.89Å; Y359-P382 WeakPolarHBondContact OH-CA 3.45Å; Y359-P382 WeakPolarHBondContact OH-CB 3.41Å; L361-P382 HydrophobicContact CD2-CB 4.12Å; L361-P382 HydrophobicContact CD2-CG 4.09Å; L380-P382 WeakPolarHBondContact O-CD 3.47Å
383	K	85.1	Confident	91.9	Very high	19 Å²	19	49.2 Å²	49.2	8%	0.083	25%	0.252	C	S	.	.			trans	-89.3	130.1	176	-40.7	-55.1	178.8	-141.2	0	111.7	M238 F241 P242 F256 Y359 Y381	M238-K383 HydrophobicContact CE-CD 3.99Å; M238-K383 HydrophobicContact SD-CB 4.46Å; M238-K383 HydrophobicContact SD-CD 4.29Å; F241-K383 HydrophobicContact CD1-CB 4.44Å; P242-K383 HydrophobicContact CG-CB 4.32Å; P242-K383 HydrophobicContact CG-CD 3.96Å; P242-K383 HydrophobicContact CG-CG 3.96Å; F256-K383 HydrophobicContact CE1-CD 4.15Å; F256-K383 HydrophobicContact CZ-CD 4.43Å; Y359-K383 HydrophobicContact CE1-CB 3.77Å; Y359-K383 HydrophobicContact CE1-CG 4.24Å; Y359-K383 WeakPolarHBondContact CE1-O 3.3Å; Y359-K383 VanDerWaalsContact CZ-O 3.26Å; Y359-K383 VanDerWaalsContact OH-C 3.31Å; Y359-K383 PolarHBondContact OH-N 2.93Å; Y359-K383 PolarHBondContact OH-O 3.36Å; Y381-K383 VanDerWaalsContact CB-NZ 3.29Å; Y381-K383 WeakPolarHBondContact O-CE 3.26Å; Y381-K383 PolarHBondContact O-NZ 3.26Å
384	N	87.2	Confident	92.4	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	160	169.8	-82.6	10.7	0	0	0	110.2	K235 M238 E348 V354 E355	K235-N384 WeakPolarHBondContact CE-ND2 3.36Å; K235-N384 PolarHBondContact NZ-ND2 3.02Å; K235-N384 PolarHBondContact NZ-OD1 3.19Å; M238-N384 WeakPolarHBondContact CB-O 3.41Å; E348-N384 PolarHBondContact OE1-ND2 3.01Å; E348-N384 PolarHBondContact OE1-OD1 3.05Å; V354-N384 HydrophobicContact CG1-CB 3.95Å; V354-N384 WeakPolarHBondContact CG1-ND2 3.39Å; E355-N384 WeakPolarHBondContact O-CA 3.49Å; E355-N384 WeakPolarHBondContact O-CB 3.39Å
385	K	90.2	Very high	92.8	Very high	52 Å²	52	44.4 Å²	44.4	23%	0.226	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	131.1	164.6	169	166.4	-172.6	168.5	0	109.4	M238 D239 E240 F241 E355	M238-K385 CarbonylContact O-C 3.6Å; M238-K385 WeakPolarHBondContact O-CA 3.29Å; D239-K385 WeakPolarHBondContact O-CD 3.19Å; D239-K385 WeakPolarHBondContact O-CE 3.46Å; D239-K385 VanDerWaalsContact O-CG 3.32Å; D239-K385 WeakPolarHBondContact O-CG 3.49Å; E240-K385 WeakPolarHBondContact OE1-CE 3.42Å; E240-K385 IonicContact OE1-NZ 2.8Å; E240-K385 PolarHBondContact OE1-NZ 2.84Å; E240-K385 WeakPolarHBondContact OE2-CE 3.32Å; E240-K385 IonicContact OE2-NZ 3.63Å; E240-K385 PolarHBondContact OE2-NZ 3.06Å; F241-K385 HydrophobicContact CD2-CB 4.39Å; F241-K385 HydrophobicContact CE1-CB 4.28Å; F241-K385 HydrophobicContact CE2-CB 4Å; F241-K385 HydrophobicContact CZ-CB 3.93Å; E355-K385 HydrophobicContact CB-CB 4.18Å; E355-K385 PolarHBondContact N-O 2.84Å; E355-K385 PolarHBondContact O-N 3.44Å
386	V	89.9	Confident	93.1	Very high	35 Å²	35	43.5 Å²	43.5	21%	0.212	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	122.3	172	-176.3	0	0	0	0	106.3	M238 L262 V354 G388	M238-V386 PolarHBondContact O-N 2.7Å; L262-V386 HydrophobicContact CD1-CG2 4.2Å; L262-V386 HydrophobicContact CD2-CG2 3.78Å; V354-V386 HydrophobicContact CG2-CG2 4.38Å; V386-G388 PolarHBondContact O-N 2.62Å
387	E	83	Confident	93.2	Very high	152 Å²	152	42.3 Å²	42.3	71%	0.71	22%	0.215	S	C	*	.	P	Polyproline II helix	trans	-64.5	132.4	178.3	-171.5	169.1	-163.9	0	0	109.9	G353	G353-E387 PolarHBondContact O-N 3.4Å
388	G	84.7	Confident	93	Very high	45 Å²	45	42.5 Å²	42.5	46%	0.464	22%	0.222	S	C	.	.	P	Polyproline II helix	trans	-70.9	152.8	176.7	0	0	0	0	0	111.8	V386 K558	V386-G388 PolarHBondContact O-N 2.62Å; G388-K558 PolarHBondContact O-NZ 3.33Å
389	E	87.6	Confident	92.6	Very high	103 Å²	103	48.9 Å²	48.9	48%	0.481	26%	0.256	S	S	.	.	P	Polyproline II helix	trans	-70.9	158.7	174.4	-66.3	169	-164.1	0	0	111.3	R521 K558	E389-R521 IonicContact OE2-NH2 3.74Å; E389-R521 PolarHBondContact OE2-NH2 3.46Å; E389-K558 PolarHBondContact O-NZ 2.86Å
390	D	95.5	Very high	92.2	Very high	96 Å²	96	48.3 Å²	48.3	51%	0.513	26%	0.257	S	S	.	.	P	Polyproline II helix	trans	-76.1	152.2	166	-69.5	-32.2	0	0	0	109.7	K558	D390-K558 IonicContact OD1-NZ 3.11Å
391	P	98.4	Very high	92.2	Very high	3 Å²	3	52.9 Å²	52.9	2%	0.019	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-65.1	148.7	176.9	27	-32.7	0	0	0	111.2	S424 F425 F544 V546 K558 N560	P391-S424 CarbonylContact C-O 3.57Å; P391-S424 VanDerWaalsContact CA-O 3.22Å; P391-S424 WeakPolarHBondContact CA-O 3.34Å; P391-S424 WeakPolarHBondContact CB-O 3.45Å; P391-F425 HydrophobicContact CB-CB 4.35Å; P391-F425 HydrophobicContact CB-CD2 3.97Å; P391-F544 HydrophobicContact CB-CD1 3.64Å; P391-F544 HydrophobicContact CB-CE1 3.81Å; P391-F544 HydrophobicContact CG-CD1 4.41Å; P391-V546 HydrophobicContact CB-CG2 3.97Å; P391-V546 HydrophobicContact CG-CG2 4.13Å; P391-K558 HydrophobicContact CG-CB 4.37Å; P391-N560 WeakPolarHBondContact O-CA 3.35Å; P391-N560 WeakPolarHBondContact O-CB 3.28Å
392	E	98.4	Very high	92.3	Very high	75 Å²	75	55.6 Å²	55.6	35%	0.35	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	151.3	177.8	-59	169.3	-176.1	0	0	109.7	A423 S424 R521	E392-A423 CarbonylContact O-C 3.57Å; E392-A423 WeakPolarHBondContact O-CA 3.36Å; E392-S424 PolarHBondContact N-O 3.35Å; E392-S424 PolarHBondContact O-N 2.89Å; E392-R521 IonicContact OE1-CZ 2.7Å; E392-R521 IonicContact OE1-NH1 2.62Å; E392-R521 PolarHBondContact OE1-NH1 2.91Å; E392-R521 IonicContact OE1-NH2 2.78Å; E392-R521 PolarHBondContact OE1-NH2 3.07Å; E392-R521 IonicContact OE2-CZ 2.94Å; E392-R521 IonicContact OE2-NH1 3.14Å; E392-R521 PolarHBondContact OE2-NH1 2.93Å; E392-R521 IonicContact OE2-NH2 3.03Å
393	K	97.8	Very high	92.3	Very high	11 Å²	11	57.5 Å²	57.5	5%	0.048	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	139.1	176.9	-166.5	174.7	-172.5	144.4	0	110.5	Y421 R422 D448 Y526 N542 E543 F544 N560 I563	K393-Y421 HydrophobicContact CG-CD1 4.42Å; K393-R422 CarbonylContact C-O 3.6Å; K393-R422 WeakPolarHBondContact CA-O 2.98Å; K393-D448 WeakPolarHBondContact CE-OD2 3.43Å; K393-D448 IonicContact NZ-OD1 2.88Å; K393-D448 PolarHBondContact NZ-OD1 3.3Å; K393-D448 VanDerWaalsContact NZ-OD1 3.17Å; K393-D448 IonicContact NZ-OD2 2.87Å; K393-D448 PolarHBondContact NZ-OD2 3.19Å; K393-Y526 WeakPolarHBondContact CE-OH 3.39Å; K393-Y526 PolarHBondContact NZ-OH 2.82Å; K393-Y526 VanDerWaalsContact NZ-OH 3.15Å; K393-N542 WeakPolarHBondContact CD-O 3.32Å; K393-N542 WeakPolarHBondContact CE-ND2 3.5Å; K393-N542 WeakPolarHBondContact CE-O 3.47Å; K393-N542 PolarHBondContact NZ-ND2 2.89Å; K393-N542 PolarHBondContact NZ-O 2.73Å; K393-N542 PolarHBondContact NZ-OD1 3.41Å; K393-E543 VanDerWaalsContact NZ-C 3.27Å; K393-E543 PolarHBondContact NZ-O 3.22Å; K393-F544 HydrophobicContact CD-CB 4.02Å; K393-N560 HydrophobicContact CB-CB 3.86Å; K393-N560 WeakPolarHBondContact CB-ND2 3.42Å; K393-I563 HydrophobicContact CB-CD1 4.42Å; K393-I563 HydrophobicContact CD-CD1 4.04Å; K393-I563 HydrophobicContact CG-CD1 3.87Å; K393-I563 WeakPolarHBondContact O-CG2 3.38Å
394	E	96.8	Very high	92.5	Very high	59 Å²	59	61.2 Å²	61.2	28%	0.276	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	149.8	-177.7	-63.2	173.7	125.6	0	0	110.8	V396 Y421 R422	E394-V396 HydrophobicContact CB-CG1 4.48Å; E394-Y421 CarbonylContact O-C 3.56Å; E394-Y421 VanDerWaalsContact O-CA 3.29Å; E394-Y421 WeakPolarHBondContact O-CA 3.43Å; E394-R422 PolarHBondContact N-O 3.05Å; E394-R422 PolarHBondContact O-N 3.25Å; E394-R422 IonicContact OE1-NH2 3.37Å; E394-R422 IonicContact OE2-CZ 3.84Å; E394-R422 VanDerWaalsContact OE2-CZ 3.23Å; E394-R422 IonicContact OE2-NE 2.79Å; E394-R422 PolarHBondContact OE2-NE 2.94Å; E394-R422 IonicContact OE2-NH2 3.84Å; E394-R422 PolarHBondContact OE2-NH2 2.84Å
395	L	97.1	Very high	92.1	Very high	9 Å²	9	66.4 Å²	66.4	5%	0.047	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	135.4	160.7	-80	158.4	0	0	0	108.6	P402 L403 Y411 I419 H420 Y421 I566	L395-P402 WeakPolarHBondContact O-CA 3.36Å; L395-L403 HydrophobicContact CB-CB 4.44Å; L395-L403 HydrophobicContact CB-CD1 3.91Å; L395-L403 HydrophobicContact CB-CG 4.21Å; L395-L403 PolarHBondContact O-N 3.48Å; L395-Y411 HydrophobicContact CD1-CD2 3.21Å; L395-Y411 HydrophobicContact CD1-CE2 3.55Å; L395-Y411 HydrophobicContact CD1-CG 3.84Å; L395-I419 HydrophobicContact CD2-CG2 3.45Å; L395-I419 VanDerWaalsContact CD2-CG2 3.45Å; L395-H420 WeakPolarHBondContact CA-O 3.48Å; L395-Y421 HydrophobicContact CD1-CE1 4.36Å; L395-Y421 HydrophobicContact CD2-CD1 3.87Å; L395-Y421 HydrophobicContact CD2-CD2 4.09Å; L395-Y421 HydrophobicContact CD2-CE1 3.5Å; L395-Y421 VanDerWaalsContact CD2-CE1 3.5Å; L395-Y421 HydrophobicContact CD2-CE2 3.73Å; L395-Y421 HydrophobicContact CD2-CG 4.16Å; L395-Y421 VanDerWaalsContact CD2-CZ 3.42Å; L395-Y421 HydrophobicContact CG-CD1 4Å; L395-Y421 HydrophobicContact CG-CE1 3.57Å; L395-I566 HydrophobicContact CD1-CG2 3.7Å; L395-I566 HydrophobicContact CD2-CG2 4.04Å; L395-I566 HydrophobicContact CG-CG2 4.49Å
396	V	97.6	Very high	91.3	Very high	7 Å²	7	68.4 Å²	68.4	4%	0.042	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	157.9	-177.4	-61.7	0	0	0	0	111.4	E394 D401 H420 R422	E394-V396 HydrophobicContact CB-CG1 4.48Å; V396-D401 CarbonylContact C-O 3.48Å; V396-D401 WeakPolarHBondContact CA-O 3.32Å; V396-D401 WeakPolarHBondContact CB-O 3.49Å; V396-H420 HydrophobicContact CG2-CB 3.76Å; V396-H420 PolarHBondContact N-O 2.9Å; V396-R422 HydrophobicContact CG1-CB 3.92Å
397	D	95	Very high	90	Very high	51 Å²	51	73.6 Å²	73.6	27%	0.273	41%	0.41	S	S	.	.			trans	-78.7	-179.3	169.2	77.8	-5.3	0	0	0	111.8	N399 G400 D401 L403	D397-N399 PolarHBondContact O-N 3.36Å; D397-N399 VanDerWaalsContact OD1-CA 3.32Å; D397-N399 WeakPolarHBondContact OD1-CA 3.15Å; D397-N399 WeakPolarHBondContact OD1-CB 3.42Å; D397-N399 PolarHBondContact OD1-N 3.36Å; D397-N399 PolarHBondContact OD2-ND2 2.81Å; D397-G400 PolarHBondContact O-N 2.95Å; D397-G400 PolarHBondContact OD1-N 3.28Å; D397-D401 PolarHBondContact N-O 2.96Å; D397-D401 PolarHBondContact OD1-N 3.04Å; D397-L403 HydrophobicContact CB-CD2 3.87Å
398	D	91.2	Very high	88.9	Confident	141 Å²	141	69.5 Å²	69.5	75%	0.754	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-17.6	178.3	-60.2	-12	0	0	0	113.6	H420	D398-H420 IonicContact OD1-CD2 2.83Å; D398-H420 IonicContact OD1-NE2 3.91Å; D398-H420 PolarHBondContact OD1-NE2 3.28Å
399	N	90.2	Very high	88.4	Confident	134 Å²	134	68.9 Å²	68.9	72%	0.717	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94	-7.6	177.6	-53	-62.9	0	0	0	112.7	D397	D397-N399 PolarHBondContact O-N 3.36Å; D397-N399 VanDerWaalsContact OD1-CA 3.32Å; D397-N399 WeakPolarHBondContact OD1-CA 3.15Å; D397-N399 WeakPolarHBondContact OD1-CB 3.42Å; D397-N399 PolarHBondContact OD1-N 3.36Å; D397-N399 PolarHBondContact OD2-ND2 2.81Å
400	G	89.9	Confident	88.5	Confident	11 Å²	11	64.1 Å²	64.1	11%	0.113	37%	0.374	C	S	.	.	S	Bend	trans	86.2	11.3	-174.9	0	0	0	0	0	114.2	D397 R422	D397-G400 PolarHBondContact O-N 2.95Å; D397-G400 PolarHBondContact OD1-N 3.28Å; G400-R422 PolarHBondContact O-NH1 3.14Å
401	D	94.8	Very high	88.4	Confident	99 Å²	99	60.5 Å²	60.5	53%	0.529	35%	0.353	S	S	.	.	P	Polyproline II helix	trans	-84	137.4	175.7	-70.9	-44.8	0	0	0	110.2	V396 D397 L403	V396-D401 CarbonylContact C-O 3.48Å; V396-D401 WeakPolarHBondContact CA-O 3.32Å; V396-D401 WeakPolarHBondContact CB-O 3.49Å; D397-D401 PolarHBondContact N-O 2.96Å; D397-D401 PolarHBondContact OD1-N 3.04Å; D401-L403 PolarHBondContact O-N 2.9Å
402	P	94.8	Very high	88.2	Confident	64 Å²	64	61 Å²	61	42%	0.416	36%	0.355	S	S	.	.	B	Isolated β-bridge	trans	-57.1	133.9	179.3	-26.3	34.8	0	0	0	112.6	L395	L395-P402 WeakPolarHBondContact O-CA 3.36Å
403	L	93.3	Very high	88.1	Confident	42 Å²	42	58.7 Å²	58.7	22%	0.22	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-63.9	141.2	173.7	-64.9	-174	0	0	0	110.2	L395 D397 D401 Y411 F413	L395-L403 HydrophobicContact CB-CB 4.44Å; L395-L403 HydrophobicContact CB-CD1 3.91Å; L395-L403 HydrophobicContact CB-CG 4.21Å; L395-L403 PolarHBondContact O-N 3.48Å; D397-L403 HydrophobicContact CB-CD2 3.87Å; D401-L403 PolarHBondContact O-N 2.9Å; L403-Y411 HydrophobicContact CB-CD1 4.4Å; L403-Y411 HydrophobicContact CB-CE1 3.65Å; L403-Y411 HydrophobicContact CD1-CD1 3.99Å; L403-Y411 HydrophobicContact CD1-CE1 4.09Å; L403-Y411 PolarHBondContact O-OH 3.45Å; L403-F413 HydrophobicContact CD1-CZ 4.26Å
404	P	88.5	Confident	87.9	Confident	97 Å²	97	58.6 Å²	58.6	63%	0.63	34%	0.344	S	S	*	.	P	Polyproline II helix	trans	-67.1	138.9	176.7	27.6	-33.7	0	0	0	110.2	R406 Y411	P404-R406 PolarHBondContact O-N 2.78Å; P404-Y411 WeakPolarHBondContact O-CE1 3.47Å; P404-Y411 PolarHBondContact O-OH 2.98Å
405	P	78.9	Confident	87.9	Confident	109 Å²	109	56 Å²	56	71%	0.708	33%	0.332	S	S	*	.	P	Polyproline II helix	trans	-53.2	134.1	176.9	-23.9	31.4	0	0	0	111.4	Y411	P405-Y411 WeakPolarHBondContact CA-OH 3.48Å
406	R	73.4	Confident	87.8	Confident	94 Å²	94	56.8 Å²	56.8	36%	0.355	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-87.5	137.1	179.3	-80.5	-169.9	-175.1	-141.5	28.9	111.3	P404 A408 G409 A410 Y411 D412	P404-R406 PolarHBondContact O-N 2.78Å; R406-A408 PolarHBondContact O-N 2.8Å; R406-A408 VanDerWaalsContact O-N 3.09Å; R406-G409 PolarHBondContact O-N 3.11Å; R406-G409 VanDerWaalsContact O-N 3.11Å; R406-A410 WeakPolarHBondContact CD-O 3.38Å; R406-Y411 HydrophobicContact CG-CD1 3.87Å; R406-Y411 HydrophobicContact CG-CE1 3.92Å; R406-D412 IonicContact CZ-OD1 2.67Å; R406-D412 IonicContact NH1-OD1 3.99Å; R406-D412 PolarHBondContact NH1-OD1 3.08Å; R406-D412 IonicContact NH1-OD2 3.46Å; R406-D412 PolarHBondContact NH2-O 3.19Å; R406-D412 VanDerWaalsContact NH2-O 3.11Å; R406-D412 IonicContact NH2-OD1 3.55Å; R406-D412 PolarHBondContact NH2-OD1 3.15Å; R406-D412 IonicContact NH2-OD2 3.03Å
407	P	62.6	Low	87.7	Confident	144 Å²	144	59.9 Å²	59.9	94%	0.935	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-27.1	176.7	-24	32.5	0	0	0	114.5
408	A	61.4	Low	87.8	Confident	65 Å²	65	62.8 Å²	62.8	54%	0.537	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-2.1	-177.4	0	0	0	0	0	114.2	R406 A410	R406-A408 PolarHBondContact O-N 2.8Å; R406-A408 VanDerWaalsContact O-N 3.09Å; A408-A410 VanDerWaalsContact C-N 3.33Å; A408-A410 PolarHBondContact O-N 3.5Å
409	G	73.6	Confident	88.1	Confident	33 Å²	33	56.1 Å²	56.1	34%	0.34	33%	0.333	S	S	.	.	S	Bend	trans	77.3	5.3	175.2	0	0	0	0	0	116.2	R406 P565	R406-G409 PolarHBondContact O-N 3.11Å; R406-G409 VanDerWaalsContact O-N 3.11Å; G409-P565 WeakPolarHBondContact O-CD 3.46Å
410	A	88.5	Confident	88.5	Confident	3 Å²	3	51.2 Å²	51.2	3%	0.025	31%	0.305	C	S	.	.	S	Bend	trans	-147.5	147.6	173.1	0	0	0	0	0	111	R406 A408 P565 I567	R406-A410 WeakPolarHBondContact CD-O 3.38Å; A408-A410 VanDerWaalsContact C-N 3.33Å; A408-A410 PolarHBondContact O-N 3.5Å; A410-P565 CarbonylContact C-O 3.55Å; A410-P565 VanDerWaalsContact CA-O 3.28Å; A410-P565 WeakPolarHBondContact CA-O 3.3Å; A410-P565 HydrophobicContact CB-CG 4Å; A410-I567 HydrophobicContact CB-CB 4.34Å; A410-I567 HydrophobicContact CB-CG2 3.72Å
411	Y	94.1	Very high	88.9	Confident	20 Å²	20	50.8 Å²	50.8	8%	0.078	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	110	173.3	-61.7	-88.8	0	0	0	110.7	L395 L403 P404 P405 R406 F413 D564 P565 I566 I567	L395-Y411 HydrophobicContact CD1-CD2 3.21Å; L395-Y411 HydrophobicContact CD1-CE2 3.55Å; L395-Y411 HydrophobicContact CD1-CG 3.84Å; L403-Y411 HydrophobicContact CB-CD1 4.4Å; L403-Y411 HydrophobicContact CB-CE1 3.65Å; L403-Y411 HydrophobicContact CD1-CD1 3.99Å; L403-Y411 HydrophobicContact CD1-CE1 4.09Å; L403-Y411 PolarHBondContact O-OH 3.45Å; P404-Y411 WeakPolarHBondContact O-CE1 3.47Å; P404-Y411 PolarHBondContact O-OH 2.98Å; P405-Y411 WeakPolarHBondContact CA-OH 3.48Å; R406-Y411 HydrophobicContact CG-CD1 3.87Å; R406-Y411 HydrophobicContact CG-CE1 3.92Å; Y411-F413 WeakPolarHBondContact O-CD2 3.46Å; Y411-D564 HydrophobicContact CD2-CB 3.99Å; Y411-D564 HydrophobicContact CE2-CB 3.66Å; Y411-P565 PolarHBondContact N-O 3.27Å; Y411-I566 CarbonylContact O-C 3.58Å; Y411-I566 VanDerWaalsContact O-CA 3.28Å; Y411-I566 WeakPolarHBondContact O-CA 2.99Å; Y411-I567 PolarHBondContact O-N 2.94Å
412	D	94.3	Very high	89.1	Confident	12 Å²	12	48.1 Å²	48.1	6%	0.064	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	139.4	175.1	60.4	-85.3	0	0	0	112.9	R406 I567 A640 Y641	R406-D412 IonicContact CZ-OD1 2.67Å; R406-D412 IonicContact NH1-OD1 3.99Å; R406-D412 PolarHBondContact NH1-OD1 3.08Å; R406-D412 IonicContact NH1-OD2 3.46Å; R406-D412 PolarHBondContact NH2-O 3.19Å; R406-D412 VanDerWaalsContact NH2-O 3.11Å; R406-D412 IonicContact NH2-OD1 3.55Å; R406-D412 PolarHBondContact NH2-OD1 3.15Å; R406-D412 IonicContact NH2-OD2 3.03Å; D412-I567 CarbonylContact C-O 3.37Å; D412-I567 WeakPolarHBondContact CA-O 3.43Å; D412-I567 HydrophobicContact CB-CG2 3.96Å; D412-A640 WeakPolarHBondContact OD2-CB 3.44Å; D412-Y641 HydrophobicContact CB-CD1 3.94Å; D412-Y641 HydrophobicContact CB-CD2 3.82Å; D412-Y641 HydrophobicContact CB-CE1 4.28Å; D412-Y641 HydrophobicContact CB-CE2 4.15Å; D412-Y641 HydrophobicContact CB-CG 3.71Å; D412-Y641 VanDerWaalsContact OD1-CD2 3.31Å; D412-Y641 WeakPolarHBondContact OD1-CD2 3.49Å; D412-Y641 PolarHBondContact OD2-N 3.41Å
413	F	95.5	Very high	89.3	Confident	28 Å²	28	45 Å²	45	12%	0.123	26%	0.263	C	S	.	.			trans	-137.9	154.5	175.6	-62.7	-89.2	0	0	0	111.2	L403 Y411 I419 F530 I566 I567 T568	L403-F413 HydrophobicContact CD1-CZ 4.26Å; Y411-F413 WeakPolarHBondContact O-CD2 3.46Å; F413-I419 HydrophobicContact CB-CD1 3.83Å; F413-I419 HydrophobicContact CB-CG1 4.18Å; F413-I419 HydrophobicContact CD1-CD1 4.34Å; F413-I419 HydrophobicContact CD1-CG1 3.84Å; F413-I419 HydrophobicContact CD2-CD1 3.6Å; F413-I419 HydrophobicContact CD2-CG1 3.88Å; F413-I419 HydrophobicContact CD2-CG2 4.41Å; F413-I419 HydrophobicContact CE1-CG1 4.13Å; F413-I419 HydrophobicContact CE2-CD1 4.2Å; F413-I419 HydrophobicContact CE2-CG1 4.15Å; F413-I419 HydrophobicContact CE2-CG2 3.93Å; F413-I419 HydrophobicContact CG-CD1 3.68Å; F413-I419 HydrophobicContact CG-CG1 3.7Å; F413-I419 HydrophobicContact CZ-CG1 4.28Å; F413-I419 HydrophobicContact CZ-CG2 4.04Å; F413-F530 HydrophobicContact CB-CD2 4.07Å; F413-F530 HydrophobicContact CB-CE2 3.77Å; F413-I566 HydrophobicContact CD2-CB 4.26Å; F413-I566 HydrophobicContact CD2-CG2 4.24Å; F413-I566 HydrophobicContact CE2-CB 4.34Å; F413-I566 HydrophobicContact CE2-CG2 3.83Å; F413-I567 PolarHBondContact N-O 2.64Å; F413-T568 WeakPolarHBondContact O-CB 3.39Å; F413-T568 PolarHBondContact O-OG1 2.93Å
414	E	95.5	Very high	89.5	Confident	9 Å²	9	43.2 Å²	43.2	4%	0.042	25%	0.254	C	S	.	.			trans	-85	148.1	172.6	179.4	177.2	92.3	0	0	111	G416 Q417 K609 W611 L639 A640	E414-G416 PolarHBondContact O-N 3.08Å; E414-Q417 HydrophobicContact CB-CG 3.92Å; E414-Q417 VanDerWaalsContact O-CB 3.29Å; E414-Q417 WeakPolarHBondContact O-CB 3.47Å; E414-Q417 PolarHBondContact O-N 3.33Å; E414-K609 HydrophobicContact CG-CB 3.94Å; E414-K609 HydrophobicContact CG-CD 3.66Å; E414-K609 HydrophobicContact CG-CG 4.37Å; E414-K609 WeakPolarHBondContact OE1-CB 3.34Å; E414-W611 PolarHBondContact OE1-NE1 3.41Å; E414-W611 PolarHBondContact OE2-NE1 3.43Å; E414-L639 HydrophobicContact CG-CD2 4.01Å; E414-L639 VanDerWaalsContact OE2-CD2 3.32Å; E414-L639 WeakPolarHBondContact OE2-CD2 3.4Å; E414-A640 HydrophobicContact CB-CB 4.49Å
415	V	96	Very high	90	Very high	4 Å²	4	38.9 Å²	38.9	2%	0.024	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	129	172.8	167.5	0	0	0	0	111.6	Q417 F530 T531 K609 G638	V415-Q417 VanDerWaalsContact C-N 3.34Å; V415-F530 HydrophobicContact CG2-CB 4Å; V415-T531 WeakPolarHBondContact CG2-O 3.37Å; V415-K609 HydrophobicContact CB-CD 4.25Å; V415-G638 PolarHBondContact N-O 3.47Å
416	G	94.6	Very high	90.9	Very high	26 Å²	26	35.5 Å²	35.5	27%	0.268	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.5	-4	-175.9	0	0	0	0	0	115.7	E414 F530 D607	E414-G416 PolarHBondContact O-N 3.08Å; G416-F530 PolarHBondContact N-O 3.39Å; G416-D607 WeakPolarHBondContact CA-O 3.48Å
417	Q	95.7	Very high	92	Very high	71 Å²	71	31.1 Å²	31.1	33%	0.332	19%	0.186	S	C	.	.			trans	-70.2	143.8	168.4	-70.6	-178.1	-13.4	0	0	110.6	E414 V415 S529	E414-Q417 HydrophobicContact CB-CG 3.92Å; E414-Q417 VanDerWaalsContact O-CB 3.29Å; E414-Q417 WeakPolarHBondContact O-CB 3.47Å; E414-Q417 PolarHBondContact O-N 3.33Å; V415-Q417 VanDerWaalsContact C-N 3.34Å; Q417-S529 WeakPolarHBondContact O-CA 3.41Å; Q417-S529 VanDerWaalsContact O-CB 3.22Å; Q417-S529 WeakPolarHBondContact O-CB 3.45Å
418	Q	96.4	Very high	93.5	Very high	112 Å²	112	24.8 Å²	24.8	52%	0.523	15%	0.145	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	135.7	172.6	-69.5	-170.1	-30.7	0	0	109.9	T527	Q418-T527 HydrophobicContact CB-CG2 3.67Å; Q418-T527 HydrophobicContact CG-CG2 3.86Å
419	I	98	Very high	95	Very high	1 Å²	1	22.5 Å²	22.5	1%	0.005	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	112.5	-178.8	-55.8	174.1	0	0	0	106.5	L395 F413 Y421 T527 V528 F530 I566	L395-I419 HydrophobicContact CD2-CG2 3.45Å; L395-I419 VanDerWaalsContact CD2-CG2 3.45Å; F413-I419 HydrophobicContact CB-CD1 3.83Å; F413-I419 HydrophobicContact CB-CG1 4.18Å; F413-I419 HydrophobicContact CD1-CD1 4.34Å; F413-I419 HydrophobicContact CD1-CG1 3.84Å; F413-I419 HydrophobicContact CD2-CD1 3.6Å; F413-I419 HydrophobicContact CD2-CG1 3.88Å; F413-I419 HydrophobicContact CD2-CG2 4.41Å; F413-I419 HydrophobicContact CE1-CG1 4.13Å; F413-I419 HydrophobicContact CE2-CD1 4.2Å; F413-I419 HydrophobicContact CE2-CG1 4.15Å; F413-I419 HydrophobicContact CE2-CG2 3.93Å; F413-I419 HydrophobicContact CG-CD1 3.68Å; F413-I419 HydrophobicContact CG-CG1 3.7Å; F413-I419 HydrophobicContact CZ-CG1 4.28Å; F413-I419 HydrophobicContact CZ-CG2 4.04Å; I419-Y421 HydrophobicContact CG2-CD2 4.44Å; I419-Y421 HydrophobicContact CG2-CE2 3.87Å; I419-T527 WeakPolarHBondContact O-CA 3.3Å; I419-V528 HydrophobicContact CB-CG2 3.9Å; I419-V528 HydrophobicContact CG2-CG2 4.25Å; I419-V528 PolarHBondContact N-O 3.33Å; I419-V528 PolarHBondContact O-N 2.88Å; I419-F530 HydrophobicContact CD1-CD1 4.23Å; I419-F530 HydrophobicContact CD1-CD2 4.21Å; I419-F530 HydrophobicContact CD1-CE1 3.96Å; I419-F530 HydrophobicContact CD1-CE2 3.93Å; I419-F530 HydrophobicContact CD1-CG 4.36Å; I419-F530 HydrophobicContact CD1-CZ 3.82Å; I419-I566 HydrophobicContact CD1-CD1 3.8Å; I419-I566 HydrophobicContact CG2-CD1 4.29Å; I419-I566 HydrophobicContact CG2-CG2 4.12Å
420	H	98.4	Very high	96	Very high	31 Å²	31	21 Å²	21	14%	0.144	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	131.2	-171.6	-54.4	-68.3	0	0	0	111	L395 V396 D398 T527	L395-H420 WeakPolarHBondContact CA-O 3.48Å; V396-H420 HydrophobicContact CG2-CB 3.76Å; V396-H420 PolarHBondContact N-O 2.9Å; D398-H420 IonicContact OD1-CD2 2.83Å; D398-H420 IonicContact OD1-NE2 3.91Å; D398-H420 PolarHBondContact OD1-NE2 3.28Å; H420-T527 PolarHBondContact CE1-OG1 2.64Å; H420-T527 PolarHBondContact ND1-OG1 3.24Å
421	Y	98.7	Very high	96.3	Very high	2 Å²	2	20.8 Å²	20.8	1%	0.008	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	151.3	175.4	-76.7	-87.3	0	0	0	110.8	K393 E394 L395 I419 Y525 Y526 V528 N542 I563 I566	K393-Y421 HydrophobicContact CG-CD1 4.42Å; E394-Y421 CarbonylContact O-C 3.56Å; E394-Y421 VanDerWaalsContact O-CA 3.29Å; E394-Y421 WeakPolarHBondContact O-CA 3.43Å; L395-Y421 HydrophobicContact CD1-CE1 4.36Å; L395-Y421 HydrophobicContact CD2-CD1 3.87Å; L395-Y421 HydrophobicContact CD2-CD2 4.09Å; L395-Y421 HydrophobicContact CD2-CE1 3.5Å; L395-Y421 VanDerWaalsContact CD2-CE1 3.5Å; L395-Y421 HydrophobicContact CD2-CE2 3.73Å; L395-Y421 HydrophobicContact CD2-CG 4.16Å; L395-Y421 VanDerWaalsContact CD2-CZ 3.42Å; L395-Y421 HydrophobicContact CG-CD1 4Å; L395-Y421 HydrophobicContact CG-CE1 3.57Å; I419-Y421 HydrophobicContact CG2-CD2 4.44Å; I419-Y421 HydrophobicContact CG2-CE2 3.87Å; Y421-Y525 WeakPolarHBondContact O-CA 3.45Å; Y421-Y526 WeakPolarHBondContact CB-OH 3.46Å; Y421-Y526 AromaticContact CD2-CE2 3.77Å; Y421-Y526 HydrophobicContact CD2-CE2 3.77Å; Y421-Y526 HydrophobicContact CG-CE1 4.47Å; Y421-Y526 AromaticContact CG-CE2 3.89Å; Y421-Y526 HydrophobicContact CG-CE2 3.89Å; Y421-Y526 AromaticContact CG-CZ 3.74Å; Y421-Y526 PolarHBondContact N-O 3.03Å; Y421-Y526 PolarHBondContact O-N 3.18Å; Y421-V528 HydrophobicContact CD2-CG2 4.26Å; Y421-V528 HydrophobicContact CE2-CG2 3.79Å; Y421-N542 HydrophobicContact CE1-CB 4.13Å; Y421-I563 HydrophobicContact CD1-CD1 4.19Å; Y421-I563 HydrophobicContact CE1-CD1 3.71Å; Y421-I566 HydrophobicContact CE2-CD1 4.48Å; Y421-I566 WeakPolarHBondContact OH-CG2 3.4Å
422	R	98.6	Very high	96.2	Very high	43 Å²	43	20.3 Å²	20.3	16%	0.162	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	121.5	162.2	177.9	169.1	68	-163	1.4	109	K393 E394 V396 G400 E523 F524 Y525	K393-R422 CarbonylContact C-O 3.6Å; K393-R422 WeakPolarHBondContact CA-O 2.98Å; E394-R422 PolarHBondContact N-O 3.05Å; E394-R422 PolarHBondContact O-N 3.25Å; E394-R422 IonicContact OE1-NH2 3.37Å; E394-R422 IonicContact OE2-CZ 3.84Å; E394-R422 VanDerWaalsContact OE2-CZ 3.23Å; E394-R422 IonicContact OE2-NE 2.79Å; E394-R422 PolarHBondContact OE2-NE 2.94Å; E394-R422 IonicContact OE2-NH2 3.84Å; E394-R422 PolarHBondContact OE2-NH2 2.84Å; V396-R422 HydrophobicContact CG1-CB 3.92Å; G400-R422 PolarHBondContact O-NH1 3.14Å; R422-E523 HydrophobicContact CG-CB 4.4Å; R422-E523 IonicContact NE-OE1 3.55Å; R422-E523 IonicContact NH1-OE1 3.82Å; R422-F524 WeakPolarHBondContact CA-O 3.38Å; R422-Y525 HydrophobicContact CB-CD1 4.34Å; R422-Y525 HydrophobicContact CB-CE1 4.22Å; R422-Y525 VanDerWaalsContact CD-CZ 3.47Å; R422-Y525 VanDerWaalsContact CD-OH 3.26Å; R422-Y525 WeakPolarHBondContact CD-OH 3.33Å; R422-Y525 HydrophobicContact CG-CE1 4.19Å; R422-Y525 PolarHBondContact NH1-OH 3.42Å
423	A	98.8	Very high	96.1	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	127.2	170.2	0	0	0	0	0	109.2	E392 E523 F524 Y526 F544	E392-A423 CarbonylContact O-C 3.57Å; E392-A423 WeakPolarHBondContact O-CA 3.36Å; A423-E523 CarbonylContact O-C 3.53Å; A423-E523 WeakPolarHBondContact O-CA 3.49Å; A423-F524 HydrophobicContact CB-CB 4.5Å; A423-F524 PolarHBondContact N-O 2.91Å; A423-F524 PolarHBondContact O-N 3Å; A423-Y526 HydrophobicContact CB-CE1 3.95Å; A423-F544 HydrophobicContact CB-CB 4.23Å; A423-F544 HydrophobicContact CB-CD1 3.65Å; A423-F544 HydrophobicContact CB-CD2 3.87Å; A423-F544 HydrophobicContact CB-CE1 3.88Å; A423-F544 HydrophobicContact CB-CE2 4.06Å; A423-F544 HydrophobicContact CB-CG 3.66Å; A423-F544 HydrophobicContact CB-CZ 4.07Å
424	S	98.6	Very high	96	Very high	3 Å²	3	23.3 Å²	23.3	2%	0.021	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	152.4	-174.2	93.2	0	0	0	0	113.5	P391 E392 I522	P391-S424 CarbonylContact C-O 3.57Å; P391-S424 VanDerWaalsContact CA-O 3.22Å; P391-S424 WeakPolarHBondContact CA-O 3.34Å; P391-S424 WeakPolarHBondContact CB-O 3.45Å; E392-S424 PolarHBondContact N-O 3.35Å; E392-S424 PolarHBondContact O-N 2.89Å; S424-I522 CarbonylContact C-O 3.52Å; S424-I522 WeakPolarHBondContact CA-O 3.32Å; S424-I522 WeakPolarHBondContact CB-O 3.45Å
425	F	98.5	Very high	95.6	Very high	7 Å²	7	25.5 Å²	25.5	3%	0.031	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	149.6	177.7	-178.2	-112	0	0	0	111.1	P391 L444 F446 R521 I522 F544 V546 M548 K558	P391-F425 HydrophobicContact CB-CB 4.35Å; P391-F425 HydrophobicContact CB-CD2 3.97Å; F425-L444 HydrophobicContact CE1-CD1 4.43Å; F425-F446 HydrophobicContact CB-CE1 4.31Å; F425-F446 AromaticContact CD1-CE1 3.92Å; F425-F446 HydrophobicContact CD1-CE1 3.92Å; F425-F446 HydrophobicContact CG-CE1 4.46Å; F425-R521 CarbonylContact O-C 3.49Å; F425-R521 WeakPolarHBondContact O-CA 3.46Å; F425-I522 HydrophobicContact CB-CG2 4.17Å; F425-I522 PolarHBondContact N-O 2.75Å; F425-I522 VanDerWaalsContact O-CG2 3.29Å; F425-I522 WeakPolarHBondContact O-CG2 3.31Å; F425-I522 PolarHBondContact O-N 3.47Å; F425-F544 HydrophobicContact CB-CE1 4.42Å; F425-V546 HydrophobicContact CB-CG2 4.12Å; F425-V546 HydrophobicContact CD1-CG1 3.99Å; F425-V546 HydrophobicContact CD1-CG2 4.26Å; F425-V546 HydrophobicContact CD2-CB 4.36Å; F425-V546 HydrophobicContact CD2-CG1 4.46Å; F425-V546 HydrophobicContact CD2-CG2 3.94Å; F425-V546 HydrophobicContact CE1-CG1 3.74Å; F425-V546 HydrophobicContact CE2-CB 4.36Å; F425-V546 HydrophobicContact CE2-CG1 4.26Å; F425-V546 HydrophobicContact CE2-CG2 4.43Å; F425-V546 HydrophobicContact CG-CB 4.5Å; F425-V546 HydrophobicContact CG-CG1 4.33Å; F425-V546 HydrophobicContact CG-CG2 3.84Å; F425-V546 HydrophobicContact CZ-CB 4.49Å; F425-V546 HydrophobicContact CZ-CG1 3.9Å; F425-M548 HydrophobicContact CE1-SD 4.01Å; F425-M548 HydrophobicContact CZ-CE 3.79Å; F425-M548 HydrophobicContact CZ-SD 3.79Å; F425-K558 HydrophobicContact CE2-CD 4.38Å
426	V	96.9	Very high	95.2	Very high	38 Å²	38	33.5 Å²	33.5	23%	0.23	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	115	173	179.6	0	0	0	0	109.6	R521	V426-R521 HydrophobicContact CG2-CB 4.48Å
427	I	96.7	Very high	94.9	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.005	19%	0.194	C	C	.	.			trans	-62.7	135.4	179.2	-64.2	172	0	0	0	109.5	S429 I431 I465 G519 Q520 I522	I427-S429 PolarHBondContact O-N 3.19Å; I427-I431 HydrophobicContact CG2-CB 3.97Å; I427-I431 HydrophobicContact CG2-CG1 4.17Å; I427-I431 HydrophobicContact CG2-CG2 3.63Å; I427-I465 HydrophobicContact CD1-CG2 4.22Å; I427-G519 WeakPolarHBondContact O-CA 3.36Å; I427-G519 PolarHBondContact O-N 3.39Å; I427-Q520 PolarHBondContact N-O 3.4Å; I427-I522 HydrophobicContact CD1-CB 4.07Å; I427-I522 HydrophobicContact CD1-CG2 4.19Å; I427-I522 HydrophobicContact CG1-CB 4.27Å; I427-I522 HydrophobicContact CG1-CG2 3.88Å
428	P	95.6	Very high	94.8	Very high	12 Å²	12	33.7 Å²	33.7	8%	0.078	20%	0.198	C	C	.	.			trans	-54	141.4	179	-27.5	35.2	0	0	0	113	D239 Q430 I431 Y441 M548	D239-P428 HydrophobicContact CB-CB 4.4Å; P428-Q430 PolarHBondContact O-N 2.59Å; P428-I431 HydrophobicContact CB-CB 4.43Å; P428-I431 WeakPolarHBondContact O-CB 3.34Å; P428-I431 WeakPolarHBondContact O-CG2 3.32Å; P428-I431 PolarHBondContact O-N 2.64Å; P428-Y441 HydrophobicContact CB-CE1 4.12Å; P428-Y441 HydrophobicContact CB-CE2 3.98Å; P428-Y441 WeakPolarHBondContact CB-OH 3.39Å; P428-Y441 HydrophobicContact CG-CE1 3.92Å; P428-M548 HydrophobicContact CG-SD 3.6Å
429	S	92.9	Very high	94.8	Very high	17 Å²	17	29 Å²	29	12%	0.119	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-21.1	-178.4	-63	0	0	0	0	112.6	D239 Y259 I427 A518	D239-S429 WeakPolarHBondContact OD1-CA 3.42Å; D239-S429 WeakPolarHBondContact OD1-CB 3.32Å; D239-S429 PolarHBondContact OD1-N 3.11Å; Y259-S429 WeakPolarHBondContact CD1-O 3.3Å; Y259-S429 WeakPolarHBondContact CE1-O 3.26Å; I427-S429 PolarHBondContact O-N 3.19Å; S429-A518 WeakPolarHBondContact O-CB 3.1Å
430	Q	93	Very high	94.6	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.9	15.8	-179.1	-66.2	171.9	-43.4	0	0	113.4	D239 E240 Y259 P428 G432 D433 Y441	D239-Q430 WeakPolarHBondContact OD1-CB 3.16Å; D239-Q430 WeakPolarHBondContact OD1-CG 3.37Å; D239-Q430 PolarHBondContact OD1-N 2.79Å; D239-Q430 WeakPolarHBondContact OD2-CB 3.29Å; D239-Q430 PolarHBondContact OD2-OE1 2.97Å; E240-Q430 PolarHBondContact O-NE2 2.95Å; E240-Q430 PolarHBondContact O-OE1 2.92Å; Y259-Q430 HydrophobicContact CD1-CG 4.5Å; Y259-Q430 HydrophobicContact CE1-CG 3.59Å; P428-Q430 PolarHBondContact O-N 2.59Å; Q430-G432 PolarHBondContact O-N 3.46Å; Q430-D433 WeakPolarHBondContact CA-OD1 3.42Å; Q430-D433 HydrophobicContact CB-CB 4.41Å; Q430-D433 VanDerWaalsContact O-CB 3.3Å; Q430-D433 WeakPolarHBondContact O-CB 3.25Å; Q430-D433 PolarHBondContact O-N 2.64Å; Q430-Y441 HydrophobicContact CB-CE2 4.17Å
431	I	94.8	Very high	94.6	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-24.8	-178.9	-165.2	59.1	0	0	0	113.9	I427 P428 Y441 L444 L502 L514 A518	I427-I431 HydrophobicContact CG2-CB 3.97Å; I427-I431 HydrophobicContact CG2-CG1 4.17Å; I427-I431 HydrophobicContact CG2-CG2 3.63Å; P428-I431 HydrophobicContact CB-CB 4.43Å; P428-I431 WeakPolarHBondContact O-CB 3.34Å; P428-I431 WeakPolarHBondContact O-CG2 3.32Å; P428-I431 PolarHBondContact O-N 2.64Å; I431-Y441 HydrophobicContact CD1-CD1 4.01Å; I431-Y441 HydrophobicContact CD1-CD2 4.2Å; I431-Y441 HydrophobicContact CD1-CG 3.69Å; I431-L444 HydrophobicContact CD1-CB 4.19Å; I431-L444 HydrophobicContact CD1-CD2 3.79Å; I431-L444 HydrophobicContact CG1-CD2 4.08Å; I431-L502 HydrophobicContact CD1-CD1 4.06Å; I431-L514 HydrophobicContact CD1-CD1 4.47Å; I431-L514 HydrophobicContact CG1-CB 4.03Å; I431-L514 HydrophobicContact CG1-CD1 3.84Å; I431-L514 HydrophobicContact CG2-CB 3.94Å; I431-A518 HydrophobicContact CG2-CB 4.04Å
432	G	93.2	Very high	94.5	Very high	10 Å²	10	30.8 Å²	30.8	10%	0.103	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	0.7	179.4	0	0	0	0	0	115.4	Q430 A511	Q430-G432 PolarHBondContact O-N 3.46Å; G432-A511 VanDerWaalsContact CA-O 3.3Å; G432-A511 WeakPolarHBondContact CA-O 3.4Å
433	D	92.4	Very high	94.5	Very high	18 Å²	18	31.4 Å²	31.4	10%	0.096	19%	0.192	C	C	.	.			trans	-67.3	139.3	-176.9	-71.6	26.2	0	0	0	110.9	R258 Y259 Q430 R440	R258-D433 IonicContact CZ-OD1 3.86Å; R258-D433 IonicContact NH1-OD1 2.63Å; R258-D433 PolarHBondContact NH1-OD1 2.7Å; R258-D433 IonicContact NH2-OD1 3.54Å; R258-D433 PolarHBondContact NH2-OD1 2.7Å; R258-D433 IonicContact NH2-OD2 3.7Å; R258-D433 PolarHBondContact NH2-OD2 2.97Å; R258-D433 VanDerWaalsContact NH2-OD2 3.14Å; Y259-D433 PolarHBondContact OH-OD1 2.89Å; Y259-D433 PolarHBondContact OH-OD2 2.69Å; Q430-D433 WeakPolarHBondContact CA-OD1 3.42Å; Q430-D433 HydrophobicContact CB-CB 4.41Å; Q430-D433 VanDerWaalsContact O-CB 3.3Å; Q430-D433 WeakPolarHBondContact O-CB 3.25Å; Q430-D433 PolarHBondContact O-N 2.64Å; D433-R440 HydrophobicContact CB-CB 3.74Å; D433-R440 WeakPolarHBondContact O-CB 3.49Å; D433-R440 PolarHBondContact O-N 2.9Å
434	L	92.1	Very high	94.5	Very high	85 Å²	85	31.4 Å²	31.4	45%	0.445	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	132	172.5	-56.6	-177.9	0	0	0	110.2	A438 P439 P508 A511	L434-A438 CarbonylContact C-O 3.55Å; L434-A438 WeakPolarHBondContact CA-O 3.36Å; L434-P439 HydrophobicContact CD2-CG 4.26Å; L434-P508 HydrophobicContact CD2-CB 4.36Å; L434-A511 HydrophobicContact CD2-CB 3.98Å
435	V	88.4	Confident	94.5	Very high	55 Å²	55	32.9 Å²	32.9	33%	0.333	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	117.1	172.4	-176.5	0	0	0	0	107.6	G437 A438 R440	V435-G437 PolarHBondContact O-N 3.08Å; V435-A438 PolarHBondContact N-O 2.87Å; V435-A438 PolarHBondContact O-N 2.95Å; V435-R440 HydrophobicContact CG2-CB 3.99Å; V435-R440 HydrophobicContact CG2-CG 4.03Å
436	N	87	Confident	94.5	Very high	172 Å²	172	32.6 Å²	32.6	92%	0.92	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.6	36.7	-175.8	-58.1	-38.2	0	0	0	113.5	A438	N436-A438 VanDerWaalsContact C-N 3.28Å; N436-A438 PolarHBondContact O-N 2.76Å
437	G	89.1	Confident	94.6	Very high	50 Å²	50	35.4 Å²	35.4	52%	0.515	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.3	-1.9	179.5	0	0	0	0	0	115.4	V435 P508	V435-G437 PolarHBondContact O-N 3.08Å; G437-P508 VanDerWaalsContact O-CG 3.3Å; G437-P508 WeakPolarHBondContact O-CG 3.49Å
438	A	93.3	Very high	94.7	Very high	50 Å²	50	35.4 Å²	35.4	41%	0.413	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	150.2	174.1	0	0	0	0	0	110.9	L434 V435 N436 R440	L434-A438 CarbonylContact C-O 3.55Å; L434-A438 WeakPolarHBondContact CA-O 3.36Å; V435-A438 PolarHBondContact N-O 2.87Å; V435-A438 PolarHBondContact O-N 2.95Å; N436-A438 VanDerWaalsContact C-N 3.28Å; N436-A438 PolarHBondContact O-N 2.76Å; A438-R440 PolarHBondContact O-N 3.13Å
439	P	96.4	Very high	94.9	Very high	14 Å²	14	36.2 Å²	36.2	9%	0.091	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.6	134.8	173.9	-28.8	39.1	0	0	0	112.6	L434 Y441 L502 G507 A511	L434-P439 HydrophobicContact CD2-CG 4.26Å; P439-Y441 WeakPolarHBondContact CB-O 3.36Å; P439-L502 HydrophobicContact CB-CD2 4.19Å; P439-L502 HydrophobicContact CG-CD2 4.5Å; P439-L502 WeakPolarHBondContact CG-O 3.3Å; P439-G507 VanDerWaalsContact CG-O 3.26Å; P439-G507 WeakPolarHBondContact CG-O 3.47Å; P439-A511 HydrophobicContact CB-CB 4.01Å; P439-A511 HydrophobicContact CG-CB 3.89Å
440	R	94.3	Very high	95.1	Very high	10 Å²	10	35.5 Å²	35.5	4%	0.038	21%	0.21	C	C	.	.	S	Bend	trans	-63.3	-48.7	172.3	-173	-174.3	-179.5	178.9	0.2	110.5	F241 N243 D433 V435 A438 H550 D551	F241-R440 PolarHBondContact O-NH2 3.21Å; N243-R440 PolarHBondContact OD1-NH2 2.97Å; D433-R440 HydrophobicContact CB-CB 3.74Å; D433-R440 WeakPolarHBondContact O-CB 3.49Å; D433-R440 PolarHBondContact O-N 2.9Å; V435-R440 HydrophobicContact CG2-CB 3.99Å; V435-R440 HydrophobicContact CG2-CG 4.03Å; A438-R440 PolarHBondContact O-N 3.13Å; R440-H550 VanDerWaalsContact O-CA 3.28Å; R440-H550 WeakPolarHBondContact O-CA 3.4Å; R440-D551 WeakPolarHBondContact CG-OD1 3.2Å; R440-D551 IonicContact CZ-OD1 2.71Å; R440-D551 IonicContact CZ-OD2 2.97Å; R440-D551 IonicContact NE-OD1 2.78Å; R440-D551 PolarHBondContact NE-OD1 2.72Å; R440-D551 IonicContact NE-OD2 3.83Å; R440-D551 PolarHBondContact NE-OD2 2.85Å; R440-D551 IonicContact NH2-OD1 2.55Å; R440-D551 IonicContact NH2-OD2 2.59Å; R440-D551 PolarHBondContact NH2-OD2 3.19Å; R440-D551 PolarHBondContact O-N 3.02Å
441	Y	96.9	Very high	95.4	Very high	8 Å²	8	38.2 Å²	38.2	3%	0.031	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	119.7	168.9	-82.2	-92.6	0	0	0	109.3	D239 P428 Q430 I431 P439 L502 M548 N549 H550	D239-Y441 WeakPolarHBondContact OD2-CE2 3.25Å; D239-Y441 PolarHBondContact OD2-OH 3.03Å; P428-Y441 HydrophobicContact CB-CE1 4.12Å; P428-Y441 HydrophobicContact CB-CE2 3.98Å; P428-Y441 WeakPolarHBondContact CB-OH 3.39Å; P428-Y441 HydrophobicContact CG-CE1 3.92Å; Q430-Y441 HydrophobicContact CB-CE2 4.17Å; I431-Y441 HydrophobicContact CD1-CD1 4.01Å; I431-Y441 HydrophobicContact CD1-CD2 4.2Å; I431-Y441 HydrophobicContact CD1-CG 3.69Å; P439-Y441 WeakPolarHBondContact CB-O 3.36Å; Y441-L502 WeakPolarHBondContact O-CB 3.34Å; Y441-M548 HydrophobicContact CE1-CB 4.45Å; Y441-N549 CarbonylContact C-O 3.52Å; Y441-N549 WeakPolarHBondContact CA-O 3.35Å; Y441-H550 HydrophobicContact CD1-CB 3.89Å; Y441-H550 HydrophobicContact CD2-CB 4.26Å; Y441-H550 HydrophobicContact CE1-CB 3.96Å; Y441-H550 AromaticContact CE1-CD2 3.86Å; Y441-H550 HydrophobicContact CE2-CB 4.34Å; Y441-H550 HydrophobicContact CG-CB 4.03Å
442	T	97.4	Very high	95.5	Very high	54 Å²	54	40.5 Å²	40.5	33%	0.331	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	-13.2	178.1	62.6	0	0	0	0	112.6	T503 N549	T442-T503 VanDerWaalsContact O-CG2 3.23Å; T442-T503 WeakPolarHBondContact O-CG2 3.33Å; T442-N549 PolarHBondContact N-O 3.38Å; T442-N549 PolarHBondContact OG1-O 3.21Å; T442-N549 PolarHBondContact OG1-OD1 3.04Å
443	K	98.4	Very high	95.7	Very high	55 Å²	55	42.7 Å²	42.7	24%	0.239	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	137.4	176.8	-172.8	-177.5	-70.7	171.9	0	110.8	E445 T547 M548 N549 D555	K443-E445 HydrophobicContact CG-CB 4.37Å; K443-T547 HydrophobicContact CD-CG2 3.72Å; K443-M548 WeakPolarHBondContact O-CA 3.44Å; K443-N549 HydrophobicContact CB-CB 3.75Å; K443-N549 PolarHBondContact N-O 3.41Å; K443-N549 PolarHBondContact O-N 3Å; K443-N549 VanDerWaalsContact O-N 3.14Å; K443-D555 IonicContact NZ-OD1 2.8Å; K443-D555 PolarHBondContact NZ-OD1 3.3Å; K443-D555 IonicContact NZ-OD2 3.02Å; K443-D555 PolarHBondContact NZ-OD2 3.48Å
444	L	98.7	Very high	95.9	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	108.5	163.7	175.2	61.1	0	0	0	105.9	F425 I431 F446 M500 L502 L514 V546 T547 M548	F425-L444 HydrophobicContact CE1-CD1 4.43Å; I431-L444 HydrophobicContact CD1-CB 4.19Å; I431-L444 HydrophobicContact CD1-CD2 3.79Å; I431-L444 HydrophobicContact CG1-CD2 4.08Å; L444-F446 HydrophobicContact CD1-CE1 4.21Å; L444-F446 HydrophobicContact CD1-CE2 4.27Å; L444-F446 HydrophobicContact CD1-CZ 3.81Å; L444-F446 HydrophobicContact CD2-CE2 4.05Å; L444-F446 HydrophobicContact CD2-CZ 3.89Å; L444-F446 HydrophobicContact CG-CE2 3.83Å; L444-F446 HydrophobicContact CG-CZ 3.81Å; L444-M500 HydrophobicContact CB-CB 4.23Å; L444-M500 HydrophobicContact CB-CG 4.04Å; L444-M500 HydrophobicContact CD2-CG 4.03Å; L444-M500 HydrophobicContact CG-CG 4.02Å; L444-M500 WeakPolarHBondContact O-CB 3.12Å; L444-M500 WeakPolarHBondContact O-CG 3.37Å; L444-M500 PolarHBondContact O-N 2.9Å; L444-L502 HydrophobicContact CB-CD1 3.75Å; L444-L514 HydrophobicContact CD2-CD1 4.37Å; L444-V546 HydrophobicContact CD1-CG1 3.99Å; L444-T547 CarbonylContact C-O 3.54Å; L444-T547 WeakPolarHBondContact CA-O 3.39Å; L444-M548 HydrophobicContact CD1-CG 3.84Å; L444-M548 HydrophobicContact CD1-SD 4.29Å
445	E	98.8	Very high	96.2	Very high	35 Å²	35	37.8 Å²	37.8	16%	0.164	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	128.8	-173.1	171.6	172.5	-166.1	0	0	109.4	K443 N497 I498 V499 V546 T547	K443-E445 HydrophobicContact CG-CB 4.37Å; E445-N497 VanDerWaalsContact CG-OD1 3.23Å; E445-N497 WeakPolarHBondContact CG-OD1 3.4Å; E445-N497 PolarHBondContact OE1-ND2 2.98Å; E445-N497 PolarHBondContact OE1-OD1 3.5Å; E445-I498 CarbonylContact C-O 3.58Å; E445-I498 WeakPolarHBondContact CA-O 3.07Å; E445-V499 HydrophobicContact CB-CG2 4.36Å; E445-V499 HydrophobicContact CG-CG2 3.89Å; E445-V546 CarbonylContact O-C 3.52Å; E445-V546 VanDerWaalsContact O-CA 3.28Å; E445-V546 WeakPolarHBondContact O-CA 3.38Å; E445-T547 PolarHBondContact N-O 3.14Å; E445-T547 PolarHBondContact O-N 3.47Å
446	F	98.8	Very high	96.7	Very high	1 Å²	1	37.3 Å²	37.3	0%	0.004	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	110.5	177.1	-55.9	-79.9	0	0	0	108.6	F425 L444 F496 N497 I498 M500 I522 F524 F544 V546	F425-F446 HydrophobicContact CB-CE1 4.31Å; F425-F446 AromaticContact CD1-CE1 3.92Å; F425-F446 HydrophobicContact CD1-CE1 3.92Å; F425-F446 HydrophobicContact CG-CE1 4.46Å; L444-F446 HydrophobicContact CD1-CE1 4.21Å; L444-F446 HydrophobicContact CD1-CE2 4.27Å; L444-F446 HydrophobicContact CD1-CZ 3.81Å; L444-F446 HydrophobicContact CD2-CE2 4.05Å; L444-F446 HydrophobicContact CD2-CZ 3.89Å; L444-F446 HydrophobicContact CG-CE2 3.83Å; L444-F446 HydrophobicContact CG-CZ 3.81Å; F446-F496 HydrophobicContact CB-CE2 4.47Å; F446-N497 WeakPolarHBondContact O-CA 3.19Å; F446-I498 HydrophobicContact CB-CB 4.41Å; F446-I498 PolarHBondContact N-O 3.02Å; F446-I498 PolarHBondContact O-N 3.09Å; F446-M500 HydrophobicContact CE2-CG 4.32Å; F446-M500 HydrophobicContact CE2-SD 4.44Å; F446-I522 HydrophobicContact CE1-CG2 4.01Å; F446-I522 HydrophobicContact CZ-CD1 4.49Å; F446-I522 HydrophobicContact CZ-CG2 4.1Å; F446-F524 HydrophobicContact CB-CE2 4.09Å; F446-F524 HydrophobicContact CB-CZ 4.21Å; F446-F524 AromaticContact CD1-CE2 3.83Å; F446-F524 HydrophobicContact CD1-CE2 3.83Å; F446-F524 HydrophobicContact CD1-CZ 4.33Å; F446-F524 HydrophobicContact CD2-CE2 4.23Å; F446-F524 AromaticContact CD2-CZ 3.89Å; F446-F524 HydrophobicContact CD2-CZ 3.89Å; F446-F524 HydrophobicContact CE1-CE2 4.26Å; F446-F524 HydrophobicContact CE2-CZ 4.31Å; F446-F524 AromaticContact CG-CE2 3.79Å; F446-F524 HydrophobicContact CG-CE2 3.79Å; F446-F524 AromaticContact CG-CZ 3.9Å; F446-F524 HydrophobicContact CG-CZ 3.9Å; F446-F544 HydrophobicContact CB-CE2 3.94Å; F446-F544 HydrophobicContact CB-CZ 4.13Å; F446-F544 HydrophobicContact CD1-CE2 4.43Å; F446-F544 AromaticContact CD1-CZ 3.77Å; F446-F544 HydrophobicContact CD1-CZ 3.77Å; F446-F544 HydrophobicContact CG-CZ 4.41Å; F446-V546 HydrophobicContact CD1-CG1 4.38Å; F446-V546 HydrophobicContact CD1-CG2 3.89Å; F446-V546 HydrophobicContact CE1-CG1 4.32Å; F446-V546 HydrophobicContact CE1-CG2 4.27Å
447	K	98.9	Very high	97.2	Very high	97 Å²	97	29.1 Å²	29.1	42%	0.422	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	132.5	-177.6	-176.2	-178	174.8	-168.9	0	110.4	F496 N497 F544 T545	K447-F496 WeakPolarHBondContact CA-O 3.4Å; K447-N497 HydrophobicContact CG-CB 4.41Å; K447-F544 CarbonylContact O-C 3.58Å; K447-F544 WeakPolarHBondContact O-CA 3.38Å; K447-F544 WeakPolarHBondContact O-CD2 3.08Å; K447-T545 PolarHBondContact N-O 3.4Å; K447-T545 PolarHBondContact O-N 2.89Å
448	D	98.8	Very high	97.6	Very high	1 Å²	1	30 Å²	30	1%	0.005	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	134.4	177.2	-164.2	-76.6	0	0	0	109.6	K393 G495 F496 Y526 N542 E543 F544	K393-D448 WeakPolarHBondContact CE-OD2 3.43Å; K393-D448 IonicContact NZ-OD1 2.88Å; K393-D448 PolarHBondContact NZ-OD1 3.3Å; K393-D448 VanDerWaalsContact NZ-OD1 3.17Å; K393-D448 IonicContact NZ-OD2 2.87Å; K393-D448 PolarHBondContact NZ-OD2 3.19Å; D448-G495 CarbonylContact O-C 3.57Å; D448-G495 VanDerWaalsContact O-CA 3.22Å; D448-G495 WeakPolarHBondContact O-CA 2.82Å; D448-F496 HydrophobicContact CB-CD1 3.76Å; D448-F496 HydrophobicContact CB-CD2 4.31Å; D448-F496 HydrophobicContact CB-CE1 3.38Å; D448-F496 HydrophobicContact CB-CE2 3.98Å; D448-F496 HydrophobicContact CB-CG 4.21Å; D448-F496 HydrophobicContact CB-CZ 3.51Å; D448-F496 PolarHBondContact N-O 3.28Å; D448-F496 PolarHBondContact O-N 3.27Å; D448-Y526 PolarHBondContact OD1-OH 2.96Å; D448-Y526 PolarHBondContact OD2-OH 3.38Å; D448-N542 PolarHBondContact OD1-ND2 3.09Å; D448-N542 PolarHBondContact OD1-OD1 3.17Å; D448-E543 VanDerWaalsContact CA-O 3.32Å; D448-E543 WeakPolarHBondContact CA-O 3.29Å; D448-F544 HydrophobicContact CB-CD2 4.02Å
449	A	98.6	Very high	97.8	Very high	28 Å²	28	28.5 Å²	28.5	23%	0.231	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	141.3	171.8	0	0	0	0	0	112.9	A494 N542 E543	A449-A494 WeakPolarHBondContact CA-O 3.4Å; A449-N542 PolarHBondContact O-OD1 3.48Å; A449-E543 PolarHBondContact N-O 3.15Å; A449-E543 PolarHBondContact O-N 2.84Å
450	V	98.6	Very high	97.9	Very high	3 Å²	3	29.6 Å²	29.6	2%	0.018	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	159	163.7	-59	0	0	0	0	111.3	Q452 V455 Y493 A494 I540 N541 N542	V450-Q452 WeakPolarHBondContact CG2-O 3.23Å; V450-V455 HydrophobicContact CG1-CG1 4.49Å; V450-V455 HydrophobicContact CG2-CB 3.97Å; V450-V455 HydrophobicContact CG2-CG1 4.31Å; V450-V455 HydrophobicContact CG2-CG2 4.06Å; V450-Y493 VanDerWaalsContact O-CB 3.28Å; V450-Y493 WeakPolarHBondContact O-CB 3.38Å; V450-A494 HydrophobicContact CG2-CB 3.9Å; V450-A494 PolarHBondContact N-O 3.14Å; V450-I540 HydrophobicContact CB-CG2 3.83Å; V450-I540 HydrophobicContact CG1-CG2 4.2Å; V450-N541 CarbonylContact C-O 3.57Å; V450-N541 WeakPolarHBondContact CA-O 3.43Å; V450-N542 HydrophobicContact CG1-CB 4.09Å; V450-N542 PolarHBondContact N-OD1 2.8Å
451	D	97.8	Very high	97.9	Very high	57 Å²	57	33.3 Å²	33.3	31%	0.305	18%	0.175	S	C	.	.	S	Bend	trans	-95.7	-0.1	-177	71.6	-9.9	0	0	0	115.1	Y493 I540 N541	D451-Y493 VanDerWaalsContact O-CE1 3.22Å; D451-Y493 WeakPolarHBondContact O-CE1 3.37Å; D451-I540 WeakPolarHBondContact OD1-CA 3.34Å; D451-N541 PolarHBondContact N-O 3.18Å; D451-N541 PolarHBondContact OD1-N 3.2Å; D451-N541 WeakPolarHBondContact OD2-CB 3.25Å; D451-N541 PolarHBondContact OD2-ND2 3.15Å
452	Q	98.1	Very high	97.9	Very high	48 Å²	48	36.9 Å²	36.9	22%	0.224	19%	0.192	C	C	.	.	S	Bend	trans	-122	150.9	176.9	-57.3	-52.4	-37.7	0	0	113.1	V450 L538 I540	V450-Q452 WeakPolarHBondContact CG2-O 3.23Å; Q452-L538 HydrophobicContact CG-CD2 3.97Å; Q452-L538 HydrophobicContact CG-CG 4.42Å; Q452-I540 HydrophobicContact CB-CD1 4.49Å; Q452-I540 HydrophobicContact CB-CG1 3.95Å; Q452-I540 HydrophobicContact CB-CG2 4.23Å; Q452-I540 HydrophobicContact CG-CB 4.3Å; Q452-I540 HydrophobicContact CG-CG1 3.72Å; Q452-I540 HydrophobicContact CG-CG2 4.32Å
453	T	97.7	Very high	97.9	Very high	55 Å²	55	34.3 Å²	34.3	34%	0.337	18%	0.177	S	C	.	.	S	Bend	trans	-77	172.2	170.1	59.9	0	0	0	0	111.2	V455 T491 G492 Y493 P535	T453-V455 PolarHBondContact O-N 3.06Å; T453-T491 VanDerWaalsContact CG2-O 3.25Å; T453-T491 WeakPolarHBondContact CG2-O 3.46Å; T453-G492 WeakPolarHBondContact CA-O 3.38Å; T453-Y493 HydrophobicContact CG2-CD1 4.4Å; T453-Y493 HydrophobicContact CG2-CE1 4.16Å; T453-P535 VanDerWaalsContact O-CD 3.3Å; T453-P535 WeakPolarHBondContact O-CD 3.27Å
454	G	96.3	Very high	97.9	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.169	C	C	.	.	S	Bend	trans	81.4	-2	179.5	0	0	0	0	0	114.1	F490 T531 T534	G454-F490 PolarHBondContact N-O 3.16Å; G454-T531 VanDerWaalsContact O-CB 3.28Å; G454-T531 WeakPolarHBondContact O-CB 3.5Å; G454-T531 VanDerWaalsContact O-CG2 3.25Å; G454-T531 WeakPolarHBondContact O-CG2 3.49Å; G454-T531 PolarHBondContact O-N 3.03Å; G454-T531 PolarHBondContact O-OG1 2.92Å; G454-T534 PolarHBondContact O-OG1 2.81Å
455	V	98.3	Very high	97.9	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	138.7	171.5	-175.3	0	0	0	0	109.5	V450 T453 N485 A494 V528 S529 F530 I540	V450-V455 HydrophobicContact CG1-CG1 4.49Å; V450-V455 HydrophobicContact CG2-CB 3.97Å; V450-V455 HydrophobicContact CG2-CG1 4.31Å; V450-V455 HydrophobicContact CG2-CG2 4.06Å; T453-V455 PolarHBondContact O-N 3.06Å; V455-N485 PolarHBondContact O-ND2 2.82Å; V455-A494 HydrophobicContact CB-CB 3.91Å; V455-A494 HydrophobicContact CG1-CB 3.78Å; V455-A494 WeakPolarHBondContact O-CB 3.44Å; V455-V528 HydrophobicContact CG1-CB 3.82Å; V455-V528 HydrophobicContact CG1-CG1 4.42Å; V455-V528 HydrophobicContact CG1-CG2 4.16Å; V455-S529 WeakPolarHBondContact CG1-O 3.38Å; V455-F530 HydrophobicContact CG2-CD1 4.17Å; V455-F530 HydrophobicContact CG2-CE1 4.38Å; V455-I540 HydrophobicContact CG2-CD1 4.06Å; V455-I540 HydrophobicContact CG2-CG2 4.28Å
456	K	97.8	Very high	97.7	Very high	45 Å²	45	32.8 Å²	32.8	20%	0.196	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	134.4	173.2	174.3	177.5	170.2	-142.9	0	110.2	E458 N485 F490 V528 S529 T531	K456-E458 WeakPolarHBondContact CD-OE1 3.45Å; K456-E458 WeakPolarHBondContact CE-OE1 3.35Å; K456-E458 VanDerWaalsContact CE-OE2 3.26Å; K456-E458 WeakPolarHBondContact CE-OE2 3.42Å; K456-E458 IonicContact NZ-OE1 2.94Å; K456-E458 PolarHBondContact NZ-OE1 3.46Å; K456-E458 IonicContact NZ-OE2 3.32Å; K456-E458 PolarHBondContact NZ-OE2 2.5Å; K456-N485 WeakPolarHBondContact CA-O 3.49Å; K456-F490 HydrophobicContact CB-CD1 4.04Å; K456-F490 HydrophobicContact CB-CE1 3.63Å; K456-F490 HydrophobicContact CB-CZ 4.22Å; K456-F490 HydrophobicContact CD-CE1 3.9Å; K456-F490 HydrophobicContact CD-CZ 4Å; K456-F490 HydrophobicContact CG-CD1 4.47Å; K456-F490 HydrophobicContact CG-CE1 3.7Å; K456-F490 HydrophobicContact CG-CZ 4.3Å; K456-V528 CarbonylContact O-C 3.48Å; K456-V528 WeakPolarHBondContact O-CA 3.43Å; K456-V528 WeakPolarHBondContact O-CB 3.25Å; K456-S529 PolarHBondContact N-O 3.44Å; K456-S529 PolarHBondContact O-N 3.21Å; K456-T531 HydrophobicContact CB-CG2 3.76Å
457	F	98.7	Very high	97.5	Very high	1 Å²	1	36 Å²	36	0%	0.004	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	114.1	165.8	-172	-111	0	0	0	108.9	G459 I460 Y483 Y484 N485 T486 A494 F496 Y526 V528	F457-G459 VanDerWaalsContact CE1-CA 3.49Å; F457-I460 HydrophobicContact CZ-CG1 4.02Å; F457-Y483 HydrophobicContact CD1-CD1 4.2Å; F457-Y483 HydrophobicContact CD1-CG 4.42Å; F457-Y483 AromaticContact CE1-CD1 3.45Å; F457-Y483 HydrophobicContact CE1-CD1 3.45Å; F457-Y483 VanDerWaalsContact CE1-CD1 3.45Å; F457-Y483 HydrophobicContact CE1-CE1 4.13Å; F457-Y483 HydrophobicContact CE1-CG 4.04Å; F457-Y483 HydrophobicContact CZ-CD1 4.22Å; F457-Y484 WeakPolarHBondContact CB-O 3.26Å; F457-N485 PolarHBondContact N-O 2.62Å; F457-T486 HydrophobicContact CB-CG2 4.31Å; F457-T486 HydrophobicContact CD1-CG2 3.99Å; F457-A494 HydrophobicContact CB-CB 4.04Å; F457-F496 HydrophobicContact CE1-CB 4.38Å; F457-F496 AromaticContact CE2-CD1 3.8Å; F457-F496 HydrophobicContact CE2-CD1 3.8Å; F457-F496 HydrophobicContact CZ-CB 4.05Å; F457-F496 AromaticContact CZ-CD1 3.68Å; F457-F496 HydrophobicContact CZ-CD1 3.68Å; F457-F496 HydrophobicContact CZ-CG 4.32Å; F457-Y526 AromaticContact CE2-CD2 3.74Å; F457-Y526 HydrophobicContact CE2-CD2 3.74Å; F457-Y526 HydrophobicContact CE2-CG 4.25Å; F457-V528 HydrophobicContact CD2-CG1 4.07Å
458	E	98	Very high	97.5	Very high	68 Å²	68	36 Å²	36	32%	0.318	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	-35.4	-179.9	-66.2	-67.2	169	0	0	111.2	K456 T527 S529	K456-E458 WeakPolarHBondContact CD-OE1 3.45Å; K456-E458 WeakPolarHBondContact CE-OE1 3.35Å; K456-E458 VanDerWaalsContact CE-OE2 3.26Å; K456-E458 WeakPolarHBondContact CE-OE2 3.42Å; K456-E458 IonicContact NZ-OE1 2.94Å; K456-E458 PolarHBondContact NZ-OE1 3.46Å; K456-E458 IonicContact NZ-OE2 3.32Å; K456-E458 PolarHBondContact NZ-OE2 2.5Å; E458-T527 HydrophobicContact CB-CG2 3.84Å; E458-T527 WeakPolarHBondContact CB-O 3.3Å; E458-T527 HydrophobicContact CG-CG2 3.87Å; E458-T527 PolarHBondContact N-O 3.4Å; E458-S529 WeakPolarHBondContact OE1-CB 3.24Å; E458-S529 PolarHBondContact OE1-OG 2.92Å
459	G	97.5	Very high	97.4	Very high	18 Å²	18	39.1 Å²	39.1	19%	0.186	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	144.1	176.6	177.1	0	0	0	0	0	113.2	F457 Y526 T527	F457-G459 VanDerWaalsContact CE1-CA 3.49Å; G459-Y526 WeakPolarHBondContact O-CA 3.37Å; G459-Y526 VanDerWaalsContact O-CB 3.29Å; G459-Y526 WeakPolarHBondContact O-CB 3.33Å; G459-T527 PolarHBondContact N-O 2.9Å; G459-T527 PolarHBondContact O-N 2.85Å
460	I	97.1	Very high	97.2	Very high	37 Å²	37	38.8 Å²	38.8	19%	0.19	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	121.5	166.5	-61.4	178.8	0	0	0	107.6	F457 I463 Y483 F496 I498 F524 Y525	F457-I460 HydrophobicContact CZ-CG1 4.02Å; I460-I463 HydrophobicContact CG2-CG1 3.88Å; I460-Y483 HydrophobicContact CD1-CE1 3.87Å; I460-Y483 HydrophobicContact CG1-CE1 4.22Å; I460-F496 HydrophobicContact CD1-CD1 4.44Å; I460-F496 HydrophobicContact CD1-CG 4.34Å; I460-F496 HydrophobicContact CG1-CD1 4.44Å; I460-I498 HydrophobicContact CD1-CD1 3.65Å; I460-F524 HydrophobicContact CD1-CD1 4.34Å; I460-Y525 CarbonylContact C-O 3.6Å
461	D	95.7	Very high	97	Very high	89 Å²	89	43 Å²	43	48%	0.476	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	-44.7	-178.7	-56.3	-57	0	0	0	110.8	Y525 Y526 T527	D461-Y525 PolarHBondContact N-O 3.12Å; D461-Y526 VanDerWaalsContact OD2-CA 3.22Å; D461-Y526 WeakPolarHBondContact OD2-CA 3.44Å; D461-T527 PolarHBondContact OD1-OG1 3.06Å; D461-T527 PolarHBondContact OD2-N 3.18Å; D461-T527 PolarHBondContact OD2-OG1 2.75Å
462	Q	96	Very high	96.6	Very high	82 Å²	82	43.1 Å²	43.1	38%	0.383	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.7	159.3	176.9	57.6	177	-16.8	0	0	112.1	Y525	Q462-Y525 HydrophobicContact CG-CD2 3.65Å; Q462-Y525 HydrophobicContact CG-CG 3.8Å; Q462-Y525 PolarHBondContact N-O 2.92Å; Q462-Y525 PolarHBondContact O-N 2.88Å
463	I	98.2	Very high	96.3	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.005	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	127.6	171.8	-54.1	175.2	0	0	0	107.1	I460 I465 A469 V470 F475 I522 E523 F524	I460-I463 HydrophobicContact CG2-CG1 3.88Å; I463-I465 HydrophobicContact CG2-CG1 4.34Å; I463-A469 WeakPolarHBondContact O-CA 3.33Å; I463-V470 HydrophobicContact CB-CG2 3.67Å; I463-V470 HydrophobicContact CG2-CG2 3.64Å; I463-V470 WeakPolarHBondContact O-CG2 3.5Å; I463-V470 PolarHBondContact O-N 3.31Å; I463-F475 HydrophobicContact CD1-CD1 3.58Å; I463-F475 HydrophobicContact CD1-CE1 4.01Å; I463-F475 HydrophobicContact CD1-CG 4.26Å; I463-I522 HydrophobicContact CG2-CD1 4.02Å; I463-I522 HydrophobicContact CG2-CG1 4.11Å; I463-E523 WeakPolarHBondContact CA-O 3.31Å; I463-F524 HydrophobicContact CD1-CD1 4.18Å; I463-F524 HydrophobicContact CD1-CE1 3.97Å; I463-F524 HydrophobicContact CG1-CD1 3.91Å; I463-F524 HydrophobicContact CG1-CE1 4.15Å; I463-F524 HydrophobicContact CG2-CD1 4.35Å; I463-F524 HydrophobicContact CG2-CE1 4.19Å
464	V	98.3	Very high	96.1	Very high	13 Å²	13	45.5 Å²	45.5	8%	0.079	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	133.5	179.2	-179.3	0	0	0	0	108.2	T468 A469 I522 E523 Y525	V464-T468 WeakPolarHBondContact CA-O 3.2Å; V464-A469 HydrophobicContact CG2-CB 4.46Å; V464-I522 CarbonylContact O-C 3.55Å; V464-I522 WeakPolarHBondContact O-CA 3.36Å; V464-E523 HydrophobicContact CB-CB 4.29Å; V464-E523 PolarHBondContact N-O 2.77Å; V464-E523 PolarHBondContact O-N 2.82Å; V464-Y525 HydrophobicContact CB-CE2 4.32Å; V464-Y525 HydrophobicContact CG2-CD2 4.23Å; V464-Y525 HydrophobicContact CG2-CE2 3.85Å
465	I	98.2	Very high	96.1	Very high	2 Å²	2	45.6 Å²	45.6	1%	0.01	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	125.5	176	-50.6	-179.9	0	0	0	108.7	I427 I463 G467 T468 V470 F475 Y517 Q520 R521 I522	I427-I465 HydrophobicContact CD1-CG2 4.22Å; I463-I465 HydrophobicContact CG2-CG1 4.34Å; I465-G467 PolarHBondContact O-N 3.42Å; I465-T468 PolarHBondContact N-O 3.4Å; I465-T468 PolarHBondContact O-N 3.22Å; I465-V470 HydrophobicContact CB-CG1 4.25Å; I465-V470 HydrophobicContact CD1-CG1 4.01Å; I465-V470 HydrophobicContact CD1-CG2 4.29Å; I465-V470 HydrophobicContact CG1-CG1 4.01Å; I465-V470 HydrophobicContact CG1-CG2 4.4Å; I465-F475 HydrophobicContact CD1-CD2 4.05Å; I465-F475 HydrophobicContact CD1-CE2 3.95Å; I465-Y517 HydrophobicContact CB-CD1 4.01Å; I465-Y517 HydrophobicContact CB-CE1 4.26Å; I465-Y517 HydrophobicContact CD1-CD1 4.16Å; I465-Y517 HydrophobicContact CD1-CD2 3.92Å; I465-Y517 HydrophobicContact CD1-CE1 4.23Å; I465-Y517 HydrophobicContact CD1-CE2 3.99Å; I465-Y517 HydrophobicContact CD1-CG 4.01Å; I465-Y517 HydrophobicContact CG2-CD1 3.49Å; I465-Y517 VanDerWaalsContact CG2-CD1 3.49Å; I465-Y517 HydrophobicContact CG2-CE1 4.24Å; I465-Y517 HydrophobicContact CG2-CG 3.76Å; I465-Q520 HydrophobicContact CG2-CB 4.08Å; I465-R521 CarbonylContact C-O 3.56Å; I465-R521 WeakPolarHBondContact CA-O 3.44Å; I465-I522 HydrophobicContact CD1-CD1 3.91Å; I465-I522 HydrophobicContact CD1-CG1 4.33Å; I465-I522 HydrophobicContact CG1-CB 4.16Å; I465-I522 HydrophobicContact CG1-CD1 4.04Å; I465-I522 HydrophobicContact CG1-CG1 3.89Å
466	G	95.3	Very high	96	Very high	42 Å²	42	47.6 Å²	47.6	43%	0.433	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.6	32.7	-177.2	0	0	0	0	0	113.2	T468 R521	G466-T468 VanDerWaalsContact C-N 3.27Å; G466-T468 PolarHBondContact O-N 2.67Å; G466-R521 PolarHBondContact N-O 3.34Å
467	G	94.8	Very high	95.9	Very high	69 Å²	69	49 Å²	49	71%	0.711	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.8	7.1	-176	0	0	0	0	0	115	I465	I465-G467 PolarHBondContact O-N 3.42Å
468	T	97.1	Very high	95.9	Very high	97 Å²	97	50.3 Å²	50.3	60%	0.595	34%	0.339	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.1	125.1	177.4	-56.9	0	0	0	0	111	V464 I465 G466 V470	V464-T468 WeakPolarHBondContact CA-O 3.2Å; I465-T468 PolarHBondContact N-O 3.4Å; I465-T468 PolarHBondContact O-N 3.22Å; G466-T468 VanDerWaalsContact C-N 3.27Å; G466-T468 PolarHBondContact O-N 2.67Å; T468-V470 PolarHBondContact O-N 2.89Å
469	A	96.6	Very high	95.9	Very high	67 Å²	67	47.6 Å²	47.6	55%	0.554	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.5	129.8	174.2	0	0	0	0	0	110.9	I463 V464	I463-A469 WeakPolarHBondContact O-CA 3.33Å; V464-A469 HydrophobicContact CG2-CB 4.46Å
470	V	95.8	Very high	95.9	Very high	21 Å²	21	50.3 Å²	50.3	13%	0.127	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	151.5	176	-59.1	0	0	0	0	110.6	I463 I465 T468 P472 F475 Y517	I463-V470 HydrophobicContact CB-CG2 3.67Å; I463-V470 HydrophobicContact CG2-CG2 3.64Å; I463-V470 WeakPolarHBondContact O-CG2 3.5Å; I463-V470 PolarHBondContact O-N 3.31Å; I465-V470 HydrophobicContact CB-CG1 4.25Å; I465-V470 HydrophobicContact CD1-CG1 4.01Å; I465-V470 HydrophobicContact CD1-CG2 4.29Å; I465-V470 HydrophobicContact CG1-CG1 4.01Å; I465-V470 HydrophobicContact CG1-CG2 4.4Å; T468-V470 PolarHBondContact O-N 2.89Å; V470-P472 VanDerWaalsContact O-CD 3.27Å; V470-P472 WeakPolarHBondContact O-CD 3.34Å; V470-F475 HydrophobicContact CG2-CB 4.14Å; V470-F475 HydrophobicContact CG2-CG 4.46Å; V470-Y517 HydrophobicContact CG1-CE1 4.37Å
471	T	93	Very high	95.9	Very high	90 Å²	90	50 Å²	50	55%	0.552	34%	0.344	S	S	*	.	P	Polyproline II helix	trans	-71.5	119	174.4	-56.5	0	0	0	0	109.5	A473 T474 F475	T471-A473 VanDerWaalsContact C-N 3.27Å; T471-A473 HydrophobicContact CG2-CB 4.34Å; T471-A473 PolarHBondContact O-N 3.38Å; T471-T474 PolarHBondContact O-N 3.15Å; T471-F475 PolarHBondContact O-N 3.44Å; T471-F475 VanDerWaalsContact O-N 3.11Å
472	P	90.4	Very high	96.1	Very high	61 Å²	61	49.6 Å²	49.6	40%	0.396	34%	0.342	S	S	.	.	H	α-helix	trans	-56.6	-39.4	-175.9	-28.7	36.5	0	0	0	113	V470 T474 F475 L476	V470-P472 VanDerWaalsContact O-CD 3.27Å; V470-P472 WeakPolarHBondContact O-CD 3.34Å; P472-T474 VanDerWaalsContact C-N 3.32Å; P472-T474 PolarHBondContact O-N 2.95Å; P472-F475 PolarHBondContact O-N 3.31Å; P472-L476 WeakPolarHBondContact O-CB 3.39Å; P472-L476 WeakPolarHBondContact O-CG 3.49Å; P472-L476 PolarHBondContact O-N 3.05Å
473	A	92.2	Very high	96.2	Very high	77 Å²	77	50.1 Å²	50.1	64%	0.636	34%	0.341	S	S	*	.	H	α-helix	trans	-60.7	-37.8	177.6	0	0	0	0	0	113.3	T471 A477	T471-A473 VanDerWaalsContact C-N 3.27Å; T471-A473 HydrophobicContact CG2-CB 4.34Å; T471-A473 PolarHBondContact O-N 3.38Å; A473-A477 WeakPolarHBondContact O-CB 3.46Å; A473-A477 PolarHBondContact O-N 3.21Å; A473-A477 VanDerWaalsContact O-N 3.09Å
474	T	92.8	Very high	96.2	Very high	76 Å²	76	54.6 Å²	54.6	47%	0.466	36%	0.359	S	S	.	.	H	α-helix	trans	-72.9	-42.8	179	-55.2	0	0	0	0	111.2	T471 P472 N478 Y513	T471-T474 PolarHBondContact O-N 3.15Å; P472-T474 VanDerWaalsContact C-N 3.32Å; P472-T474 PolarHBondContact O-N 2.95Å; T474-N478 PolarHBondContact O-ND2 2.72Å; T474-N478 VanDerWaalsContact O-ND2 3.14Å; T474-Y513 HydrophobicContact CG2-CE2 4.22Å
475	F	96	Very high	96.1	Very high	1 Å²	1	55.1 Å²	55.1	0%	0.004	36%	0.361	C	S	.	.	H	α-helix	trans	-64.6	-51.8	177.1	179.5	-97.2	0	0	0	111	I463 I465 V470 T471 P472 A477 N478 I498 M500 Y513 I522 F524	I463-F475 HydrophobicContact CD1-CD1 3.58Å; I463-F475 HydrophobicContact CD1-CE1 4.01Å; I463-F475 HydrophobicContact CD1-CG 4.26Å; I465-F475 HydrophobicContact CD1-CD2 4.05Å; I465-F475 HydrophobicContact CD1-CE2 3.95Å; V470-F475 HydrophobicContact CG2-CB 4.14Å; V470-F475 HydrophobicContact CG2-CG 4.46Å; T471-F475 PolarHBondContact O-N 3.44Å; T471-F475 VanDerWaalsContact O-N 3.11Å; P472-F475 PolarHBondContact O-N 3.31Å; F475-A477 VanDerWaalsContact C-N 3.26Å; F475-A477 PolarHBondContact O-N 3.46Å; F475-N478 WeakPolarHBondContact O-CB 3.13Å; F475-N478 PolarHBondContact O-N 2.87Å; F475-I498 HydrophobicContact CE1-CG2 4.25Å; F475-M500 HydrophobicContact CE1-SD 4.35Å; F475-M500 HydrophobicContact CE2-CE 4.47Å; F475-M500 HydrophobicContact CE2-SD 4.43Å; F475-M500 HydrophobicContact CZ-CE 4.42Å; F475-M500 HydrophobicContact CZ-SD 3.86Å; F475-Y513 WeakPolarHBondContact CA-OH 3.5Å; F475-Y513 HydrophobicContact CD2-CE1 4.18Å; F475-I522 HydrophobicContact CE2-CD1 3.86Å; F475-I522 HydrophobicContact CZ-CD1 3.67Å; F475-F524 HydrophobicContact CE1-CE1 4.23Å; F475-F524 HydrophobicContact CE1-CZ 4.47Å; F475-F524 HydrophobicContact CZ-CZ 4.45Å
476	L	95.6	Very high	96.1	Very high	42 Å²	42	58.5 Å²	58.5	22%	0.22	38%	0.382	C	S	.	.	H	α-helix	trans	-69.8	-18.4	-177.5	-64.5	177.6	0	0	0	113.6	P472 N478 A479 A481 I498	P472-L476 WeakPolarHBondContact O-CB 3.39Å; P472-L476 WeakPolarHBondContact O-CG 3.49Å; P472-L476 PolarHBondContact O-N 3.05Å; L476-N478 PolarHBondContact O-N 2.88Å; L476-N478 VanDerWaalsContact O-N 3.17Å; L476-A479 PolarHBondContact O-N 2.75Å; L476-A481 HydrophobicContact CD2-CB 3.91Å; L476-I498 HydrophobicContact CD2-CD1 4.22Å; L476-I498 HydrophobicContact CD2-CG2 4.25Å
477	A	96.7	Very high	96.1	Very high	76 Å²	76	59.5 Å²	59.5	63%	0.628	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-19.6	169.2	0	0	0	0	0	112.9	A473 F475	A473-A477 WeakPolarHBondContact O-CB 3.46Å; A473-A477 PolarHBondContact O-N 3.21Å; A473-A477 VanDerWaalsContact O-N 3.09Å; F475-A477 VanDerWaalsContact C-N 3.26Å; F475-A477 PolarHBondContact O-N 3.46Å
478	N	97.9	Very high	96	Very high	27 Å²	27	59.8 Å²	59.8	14%	0.144	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.5	6.4	176.9	-67.9	-83.3	0	0	0	113.1	T474 F475 L476 M500 N501 T510 Y513	T474-N478 PolarHBondContact O-ND2 2.72Å; T474-N478 VanDerWaalsContact O-ND2 3.14Å; F475-N478 WeakPolarHBondContact O-CB 3.13Å; F475-N478 PolarHBondContact O-N 2.87Å; L476-N478 PolarHBondContact O-N 2.88Å; L476-N478 VanDerWaalsContact O-N 3.17Å; N478-M500 HydrophobicContact CB-CE 3.89Å; N478-M500 WeakPolarHBondContact O-CE 3.18Å; N478-N501 VanDerWaalsContact C-ND2 3.33Å; N478-N501 WeakPolarHBondContact O-CB 3.24Å; N478-N501 PolarHBondContact O-N 3.3Å; N478-N501 PolarHBondContact O-ND2 3.05Å; N478-T510 HydrophobicContact CB-CG2 4.13Å; N478-T510 WeakPolarHBondContact O-CG2 3.45Å; N478-Y513 HydrophobicContact CB-CD1 3.78Å; N478-Y513 HydrophobicContact CB-CE1 4.12Å; N478-Y513 VanDerWaalsContact CG-CD1 3.42Å; N478-Y513 WeakPolarHBondContact ND2-CD1 3.33Å
479	A	98.3	Very high	95.9	Very high	12 Å²	12	59.6 Å²	59.6	10%	0.099	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	168.3	-177.8	0	0	0	0	0	111.7	L476 I498 V499 M500 N501	L476-A479 PolarHBondContact O-N 2.75Å; A479-I498 HydrophobicContact CB-CG2 3.71Å; A479-V499 CarbonylContact C-O 3.52Å; A479-V499 WeakPolarHBondContact CA-O 3.22Å; A479-V499 WeakPolarHBondContact CB-O 3.28Å; A479-M500 HydrophobicContact CB-CE 4.1Å; A479-M500 HydrophobicContact CB-SD 3.8Å; A479-N501 PolarHBondContact N-ND2 2.74Å; A479-N501 PolarHBondContact O-ND2 2.76Å
480	T	97.9	Very high	95.8	Very high	74 Å²	74	57 Å²	57	45%	0.454	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	127.6	159.2	-59.2	0	0	0	0	107.2	I498 V499 N501	T480-I498 WeakPolarHBondContact O-CA 3.46Å; T480-V499 PolarHBondContact N-O 2.79Å; T480-V499 PolarHBondContact O-N 2.85Å; T480-N501 PolarHBondContact OG1-OD1 2.76Å
481	A	98.2	Very high	95.8	Very high	31 Å²	31	61.2 Å²	61.2	26%	0.256	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	121.8	-178.9	0	0	0	0	0	110.8	L476 N497 I498	L476-A481 HydrophobicContact CD2-CB 3.91Å; A481-N497 CarbonylContact C-O 3.44Å; A481-N497 WeakPolarHBondContact CA-O 3.35Å; A481-I498 HydrophobicContact CB-CG1 4.06Å
482	D	98.4	Very high	96	Very high	81 Å²	81	58.4 Å²	58.4	43%	0.433	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	135.6	172.6	-68.9	-46.5	0	0	0	109.4	Y484 F496 N497	D482-Y484 HydrophobicContact CB-CE1 4.17Å; D482-Y484 HydrophobicContact CB-CE2 4.41Å; D482-F496 CarbonylContact O-C 3.6Å; D482-F496 VanDerWaalsContact O-CA 3.32Å; D482-F496 WeakPolarHBondContact O-CA 3.49Å; D482-N497 PolarHBondContact N-O 2.92Å; D482-N497 PolarHBondContact O-N 2.89Å
483	Y	98.4	Very high	96.4	Very high	92 Å²	92	61.8 Å²	61.8	36%	0.361	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	133.9	176.6	-55.1	-61.3	0	0	0	109.4	F457 I460 F496	F457-Y483 HydrophobicContact CD1-CD1 4.2Å; F457-Y483 HydrophobicContact CD1-CG 4.42Å; F457-Y483 AromaticContact CE1-CD1 3.45Å; F457-Y483 HydrophobicContact CE1-CD1 3.45Å; F457-Y483 VanDerWaalsContact CE1-CD1 3.45Å; F457-Y483 HydrophobicContact CE1-CE1 4.13Å; F457-Y483 HydrophobicContact CE1-CG 4.04Å; F457-Y483 HydrophobicContact CZ-CD1 4.22Å; I460-Y483 HydrophobicContact CD1-CE1 3.87Å; I460-Y483 HydrophobicContact CG1-CE1 4.22Å; Y483-F496 HydrophobicContact CD1-CB 3.66Å; Y483-F496 HydrophobicContact CE1-CB 3.99Å
484	Y	98.2	Very high	96.7	Very high	95 Å²	95	58.1 Å²	58.1	37%	0.373	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	143.1	-174.1	-53.5	-68.4	0	0	0	110.9	F457 D482 T486 Y493 G495 N497	F457-Y484 WeakPolarHBondContact CB-O 3.26Å; D482-Y484 HydrophobicContact CB-CE1 4.17Å; D482-Y484 HydrophobicContact CB-CE2 4.41Å; Y484-T486 PolarHBondContact O-N 3.37Å; Y484-Y493 VanDerWaalsContact CB-O 3.23Å; Y484-Y493 WeakPolarHBondContact CB-O 3.46Å; Y484-G495 PolarHBondContact N-O 3.45Å; Y484-G495 PolarHBondContact O-N 2.78Å; Y484-N497 HydrophobicContact CE2-CB 3.9Å
485	N	97.4	Very high	96.9	Very high	24 Å²	24	54.5 Å²	54.5	13%	0.128	33%	0.326	C	S	.	.	S	Bend	trans	59.8	37.8	176.7	-122.2	37.1	0	0	0	115.1	V455 K456 F457 A487 F490 T491 G492 A494	V455-N485 PolarHBondContact O-ND2 2.82Å; K456-N485 WeakPolarHBondContact CA-O 3.49Å; F457-N485 PolarHBondContact N-O 2.62Å; N485-A487 VanDerWaalsContact C-N 3.3Å; N485-A487 PolarHBondContact O-N 2.78Å; N485-F490 VanDerWaalsContact ND2-C 3.25Å; N485-F490 VanDerWaalsContact ND2-CA 3.27Å; N485-F490 WeakPolarHBondContact ND2-CA 3.4Å; N485-F490 PolarHBondContact ND2-O 2.71Å; N485-F490 WeakPolarHBondContact OD1-CA 3.38Å; N485-T491 PolarHBondContact OD1-N 2.93Å; N485-G492 PolarHBondContact ND2-O 2.91Å; N485-G492 PolarHBondContact OD1-N 3.12Å; N485-A494 HydrophobicContact CB-CB 4.04Å
486	T	97.3	Very high	97.1	Very high	74 Å²	74	54.4 Å²	54.4	45%	0.454	33%	0.326	S	S	.	.			trans	-77.9	-12.5	177.9	53.5	0	0	0	0	114.2	F457 Y484	F457-T486 HydrophobicContact CB-CG2 4.31Å; F457-T486 HydrophobicContact CD1-CG2 3.99Å; Y484-T486 PolarHBondContact O-N 3.37Å
487	A	95	Very high	97.2	Very high	63 Å²	63	53.2 Å²	53.2	52%	0.521	32%	0.32	S	S	.	.	S	Bend	trans	-150.5	161.4	179.5	0	0	0	0	0	111.7	N485 F490	N485-A487 VanDerWaalsContact C-N 3.3Å; N485-A487 PolarHBondContact O-N 2.78Å; A487-F490 WeakPolarHBondContact O-CD1 3.37Å
488	A	93.5	Very high	97.3	Very high	75 Å²	75	49.6 Å²	49.6	62%	0.62	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	146.2	176.2	0	0	0	0	0	111.5	F490	A488-F490 HydrophobicContact CB-CD2 4.19Å; A488-F490 HydrophobicContact CB-CE2 3.8Å; A488-F490 HydrophobicContact CB-CZ 4.16Å; A488-F490 VanDerWaalsContact N-CZ 3.31Å
489	P	95	Very high	97.4	Very high	92 Å²	92	50.5 Å²	50.5	60%	0.597	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	cis	-93.7	17.8	17.2	37	-37.1	0	0	0	115.4	T491	P489-T491 HydrophobicContact CB-CG2 4.15Å; P489-T491 HydrophobicContact CG-CG2 3.83Å; P489-T491 PolarHBondContact O-N 2.78Å; P489-T491 VanDerWaalsContact O-N 3.13Å
490	F	94.5	Very high	97.4	Very high	13 Å²	13	50.1 Å²	50.1	6%	0.057	29%	0.292	C	S	.	.			trans	57.6	29	175.8	-49.9	-63	0	0	0	115.9	G454 K456 N485 A487 A488 G492 T531	G454-F490 PolarHBondContact N-O 3.16Å; K456-F490 HydrophobicContact CB-CD1 4.04Å; K456-F490 HydrophobicContact CB-CE1 3.63Å; K456-F490 HydrophobicContact CB-CZ 4.22Å; K456-F490 HydrophobicContact CD-CE1 3.9Å; K456-F490 HydrophobicContact CD-CZ 4Å; K456-F490 HydrophobicContact CG-CD1 4.47Å; K456-F490 HydrophobicContact CG-CE1 3.7Å; K456-F490 HydrophobicContact CG-CZ 4.3Å; N485-F490 VanDerWaalsContact ND2-C 3.25Å; N485-F490 VanDerWaalsContact ND2-CA 3.27Å; N485-F490 WeakPolarHBondContact ND2-CA 3.4Å; N485-F490 PolarHBondContact ND2-O 2.71Å; N485-F490 WeakPolarHBondContact OD1-CA 3.38Å; A487-F490 WeakPolarHBondContact O-CD1 3.37Å; A488-F490 HydrophobicContact CB-CD2 4.19Å; A488-F490 HydrophobicContact CB-CE2 3.8Å; A488-F490 HydrophobicContact CB-CZ 4.16Å; A488-F490 VanDerWaalsContact N-CZ 3.31Å; F490-G492 VanDerWaalsContact C-N 3.34Å; F490-G492 PolarHBondContact O-N 2.78Å; F490-T531 HydrophobicContact CD1-CG2 4.25Å; F490-T531 HydrophobicContact CD2-CG2 3.64Å; F490-T531 HydrophobicContact CE1-CG2 4.26Å; F490-T531 HydrophobicContact CE2-CG2 3.64Å; F490-T531 HydrophobicContact CG-CG2 3.95Å; F490-T531 HydrophobicContact CZ-CG2 3.97Å
491	T	95.8	Very high	97.4	Very high	110 Å²	110	48.6 Å²	48.6	68%	0.675	28%	0.281	S	S	*	.			trans	-81.6	-5.9	-174.9	52.5	0	0	0	0	114.9	T453 N485 P489	T453-T491 VanDerWaalsContact CG2-O 3.25Å; T453-T491 WeakPolarHBondContact CG2-O 3.46Å; N485-T491 PolarHBondContact OD1-N 2.93Å; P489-T491 HydrophobicContact CB-CG2 4.15Å; P489-T491 HydrophobicContact CG-CG2 3.83Å; P489-T491 PolarHBondContact O-N 2.78Å; P489-T491 VanDerWaalsContact O-N 3.13Å
492	G	96.2	Very high	97.4	Very high	30 Å²	30	47.2 Å²	47.2	31%	0.309	27%	0.27	S	S	.	.	S	Bend	trans	-101.5	-173.4	174.1	0	0	0	0	0	112.6	T453 N485 F490	T453-G492 WeakPolarHBondContact CA-O 3.38Å; N485-G492 PolarHBondContact ND2-O 2.91Å; N485-G492 PolarHBondContact OD1-N 3.12Å; F490-G492 VanDerWaalsContact C-N 3.34Å; F490-G492 PolarHBondContact O-N 2.78Å
493	Y	98.4	Very high	97.3	Very high	132 Å²	132	47.9 Å²	47.9	52%	0.518	28%	0.277	S	S	.	.			trans	-90.3	126.4	171.7	-60.5	-46.8	0	0	0	109.7	V450 D451 T453 Y484	V450-Y493 VanDerWaalsContact O-CB 3.28Å; V450-Y493 WeakPolarHBondContact O-CB 3.38Å; D451-Y493 VanDerWaalsContact O-CE1 3.22Å; D451-Y493 WeakPolarHBondContact O-CE1 3.37Å; T453-Y493 HydrophobicContact CG2-CD1 4.4Å; T453-Y493 HydrophobicContact CG2-CE1 4.16Å; Y484-Y493 VanDerWaalsContact CB-O 3.23Å; Y484-Y493 WeakPolarHBondContact CB-O 3.46Å
494	A	98.7	Very high	97	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	29%	0.293	C	S	.	.			trans	-70.1	138.1	177.8	0	0	0	0	0	111.3	A449 V450 V455 F457 N485	A449-A494 WeakPolarHBondContact CA-O 3.4Å; V450-A494 HydrophobicContact CG2-CB 3.9Å; V450-A494 PolarHBondContact N-O 3.14Å; V455-A494 HydrophobicContact CB-CB 3.91Å; V455-A494 HydrophobicContact CG1-CB 3.78Å; V455-A494 WeakPolarHBondContact O-CB 3.44Å; F457-A494 HydrophobicContact CB-CB 4.04Å; N485-A494 HydrophobicContact CB-CB 4.04Å
495	G	98.7	Very high	96.8	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	155.1	-159.2	178.3	0	0	0	0	0	112.5	D448 Y484	D448-G495 CarbonylContact O-C 3.57Å; D448-G495 VanDerWaalsContact O-CA 3.22Å; D448-G495 WeakPolarHBondContact O-CA 2.82Å; Y484-G495 PolarHBondContact N-O 3.45Å; Y484-G495 PolarHBondContact O-N 2.78Å
496	F	98.7	Very high	96.7	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	159.1	-175.8	63	-96.8	0	0	0	112.5	F446 K447 D448 F457 I460 D482 Y483 I498 F524 Y526 F544	F446-F496 HydrophobicContact CB-CE2 4.47Å; K447-F496 WeakPolarHBondContact CA-O 3.4Å; D448-F496 HydrophobicContact CB-CD1 3.76Å; D448-F496 HydrophobicContact CB-CD2 4.31Å; D448-F496 HydrophobicContact CB-CE1 3.38Å; D448-F496 HydrophobicContact CB-CE2 3.98Å; D448-F496 HydrophobicContact CB-CG 4.21Å; D448-F496 HydrophobicContact CB-CZ 3.51Å; D448-F496 PolarHBondContact N-O 3.28Å; D448-F496 PolarHBondContact O-N 3.27Å; F457-F496 HydrophobicContact CE1-CB 4.38Å; F457-F496 AromaticContact CE2-CD1 3.8Å; F457-F496 HydrophobicContact CE2-CD1 3.8Å; F457-F496 HydrophobicContact CZ-CB 4.05Å; F457-F496 AromaticContact CZ-CD1 3.68Å; F457-F496 HydrophobicContact CZ-CD1 3.68Å; F457-F496 HydrophobicContact CZ-CG 4.32Å; I460-F496 HydrophobicContact CD1-CD1 4.44Å; I460-F496 HydrophobicContact CD1-CG 4.34Å; I460-F496 HydrophobicContact CG1-CD1 4.44Å; D482-F496 CarbonylContact O-C 3.6Å; D482-F496 VanDerWaalsContact O-CA 3.32Å; D482-F496 WeakPolarHBondContact O-CA 3.49Å; Y483-F496 HydrophobicContact CD1-CB 3.66Å; Y483-F496 HydrophobicContact CE1-CB 3.99Å; F496-I498 HydrophobicContact CD2-CD1 4.02Å; F496-I498 HydrophobicContact CD2-CG1 3.99Å; F496-I498 HydrophobicContact CE2-CD1 4.26Å; F496-F524 HydrophobicContact CZ-CB 4.2Å; F496-F524 HydrophobicContact CZ-CG 4.25Å; F496-Y526 AromaticContact CE1-CD1 3.65Å; F496-Y526 HydrophobicContact CE1-CD1 3.65Å; F496-Y526 HydrophobicContact CE1-CD2 4.37Å; F496-Y526 AromaticContact CE1-CE1 3.81Å; F496-Y526 HydrophobicContact CE1-CE1 3.81Å; F496-Y526 AromaticContact CE1-CG 3.93Å; F496-Y526 HydrophobicContact CE1-CG 3.93Å; F496-Y526 HydrophobicContact CZ-CD1 4.35Å; F496-Y526 HydrophobicContact CZ-CE1 4.38Å; F496-F544 HydrophobicContact CE2-CE2 4.22Å; F496-F544 HydrophobicContact CZ-CD2 4.49Å; F496-F544 HydrophobicContact CZ-CE2 4.18Å
497	N	98.8	Very high	96.7	Very high	17 Å²	17	44.9 Å²	44.9	9%	0.091	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	118.1	166	-170.1	20.7	0	0	0	110.1	E445 F446 K447 A481 D482 Y484	E445-N497 VanDerWaalsContact CG-OD1 3.23Å; E445-N497 WeakPolarHBondContact CG-OD1 3.4Å; E445-N497 PolarHBondContact OE1-ND2 2.98Å; E445-N497 PolarHBondContact OE1-OD1 3.5Å; F446-N497 WeakPolarHBondContact O-CA 3.19Å; K447-N497 HydrophobicContact CG-CB 4.41Å; A481-N497 CarbonylContact C-O 3.44Å; A481-N497 WeakPolarHBondContact CA-O 3.35Å; D482-N497 PolarHBondContact N-O 2.92Å; D482-N497 PolarHBondContact O-N 2.89Å; Y484-N497 HydrophobicContact CE2-CB 3.9Å
498	I	98.8	Very high	96.8	Very high	0 Å²	0	44 Å²	44	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	111.8	178.9	-60.5	172.8	0	0	0	108.7	E445 F446 I460 F475 L476 A479 T480 A481 F496 M500 F524	E445-I498 CarbonylContact C-O 3.58Å; E445-I498 WeakPolarHBondContact CA-O 3.07Å; F446-I498 HydrophobicContact CB-CB 4.41Å; F446-I498 PolarHBondContact N-O 3.02Å; F446-I498 PolarHBondContact O-N 3.09Å; I460-I498 HydrophobicContact CD1-CD1 3.65Å; F475-I498 HydrophobicContact CE1-CG2 4.25Å; L476-I498 HydrophobicContact CD2-CD1 4.22Å; L476-I498 HydrophobicContact CD2-CG2 4.25Å; A479-I498 HydrophobicContact CB-CG2 3.71Å; T480-I498 WeakPolarHBondContact O-CA 3.46Å; A481-I498 HydrophobicContact CB-CG1 4.06Å; F496-I498 HydrophobicContact CD2-CD1 4.02Å; F496-I498 HydrophobicContact CD2-CG1 3.99Å; F496-I498 HydrophobicContact CE2-CD1 4.26Å; I498-M500 HydrophobicContact CG2-SD 4.43Å; I498-F524 HydrophobicContact CD1-CD1 4.2Å; I498-F524 HydrophobicContact CD1-CE1 3.65Å; I498-F524 HydrophobicContact CD1-CZ 4.32Å
499	V	98.8	Very high	97	Very high	45 Å²	45	43.6 Å²	43.6	27%	0.273	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	115.8	-180	-174.6	0	0	0	0	109.5	E445 A479 T480	E445-V499 HydrophobicContact CB-CG2 4.36Å; E445-V499 HydrophobicContact CG-CG2 3.89Å; A479-V499 CarbonylContact C-O 3.52Å; A479-V499 WeakPolarHBondContact CA-O 3.22Å; A479-V499 WeakPolarHBondContact CB-O 3.28Å; T480-V499 PolarHBondContact N-O 2.79Å; T480-V499 PolarHBondContact O-N 2.85Å
500	M	98.7	Very high	97.2	Very high	4 Å²	4	39.4 Å²	39.4	2%	0.02	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	137.2	176.2	-58.3	-51.4	-54.5	0	0	110.9	L444 F446 F475 N478 A479 I498 L502 T510 L514	L444-M500 HydrophobicContact CB-CB 4.23Å; L444-M500 HydrophobicContact CB-CG 4.04Å; L444-M500 HydrophobicContact CD2-CG 4.03Å; L444-M500 HydrophobicContact CG-CG 4.02Å; L444-M500 WeakPolarHBondContact O-CB 3.12Å; L444-M500 WeakPolarHBondContact O-CG 3.37Å; L444-M500 PolarHBondContact O-N 2.9Å; F446-M500 HydrophobicContact CE2-CG 4.32Å; F446-M500 HydrophobicContact CE2-SD 4.44Å; F475-M500 HydrophobicContact CE1-SD 4.35Å; F475-M500 HydrophobicContact CE2-CE 4.47Å; F475-M500 HydrophobicContact CE2-SD 4.43Å; F475-M500 HydrophobicContact CZ-CE 4.42Å; F475-M500 HydrophobicContact CZ-SD 3.86Å; N478-M500 HydrophobicContact CB-CE 3.89Å; N478-M500 WeakPolarHBondContact O-CE 3.18Å; A479-M500 HydrophobicContact CB-CE 4.1Å; A479-M500 HydrophobicContact CB-SD 3.8Å; I498-M500 HydrophobicContact CG2-SD 4.43Å; M500-L502 HydrophobicContact CB-CD1 4.16Å; M500-L502 HydrophobicContact CB-CG 4.16Å; M500-L502 PolarHBondContact O-N 2.92Å; M500-T510 HydrophobicContact CB-CG2 4.41Å; M500-T510 HydrophobicContact CE-CG2 4.23Å; M500-L514 HydrophobicContact CB-CD1 4.17Å; M500-L514 HydrophobicContact CE-CD1 4.07Å; M500-L514 HydrophobicContact CE-CD2 3.91Å; M500-L514 HydrophobicContact CE-CG 4.2Å; M500-L514 HydrophobicContact CG-CD1 4.11Å
501	N	98.3	Very high	97.3	Very high	42 Å²	42	38.8 Å²	38.8	23%	0.225	26%	0.264	C	S	.	.			trans	-77.5	57.9	-174.9	-64.9	-32.1	0	0	0	112.8	N478 A479 T480 T503 A506 G507 T510	N478-N501 VanDerWaalsContact C-ND2 3.33Å; N478-N501 WeakPolarHBondContact O-CB 3.24Å; N478-N501 PolarHBondContact O-N 3.3Å; N478-N501 PolarHBondContact O-ND2 3.05Å; A479-N501 PolarHBondContact N-ND2 2.74Å; A479-N501 PolarHBondContact O-ND2 2.76Å; T480-N501 PolarHBondContact OG1-OD1 2.76Å; N501-T503 VanDerWaalsContact C-N 3.29Å; N501-T503 PolarHBondContact O-N 2.92Å; N501-A506 HydrophobicContact CB-CB 4.23Å; N501-G507 VanDerWaalsContact O-CA 3.28Å; N501-G507 WeakPolarHBondContact O-CA 3.32Å; N501-G507 PolarHBondContact O-N 3.39Å; N501-T510 HydrophobicContact CB-CG2 4.49Å; N501-T510 WeakPolarHBondContact O-CB 3.22Å; N501-T510 PolarHBondContact O-OG1 3.1Å
502	L	98.4	Very high	97.3	Very high	2 Å²	2	38.8 Å²	38.8	1%	0.01	26%	0.256	C	S	.	.			trans	-83.4	4.5	-175.3	-73.7	167.9	0	0	0	114.5	I431 P439 Y441 L444 M500 T510 A511 L514	I431-L502 HydrophobicContact CD1-CD1 4.06Å; P439-L502 HydrophobicContact CB-CD2 4.19Å; P439-L502 HydrophobicContact CG-CD2 4.5Å; P439-L502 WeakPolarHBondContact CG-O 3.3Å; Y441-L502 WeakPolarHBondContact O-CB 3.34Å; L444-L502 HydrophobicContact CB-CD1 3.75Å; M500-L502 HydrophobicContact CB-CD1 4.16Å; M500-L502 HydrophobicContact CB-CG 4.16Å; M500-L502 PolarHBondContact O-N 2.92Å; L502-T510 HydrophobicContact CD2-CG2 4.13Å; L502-T510 HydrophobicContact CG-CG2 4.32Å; L502-A511 HydrophobicContact CD2-CB 4.06Å; L502-L514 HydrophobicContact CD1-CD1 4.5Å; L502-L514 HydrophobicContact CD2-CD1 4.14Å; L502-L514 HydrophobicContact CG-CD1 4.49Å
503	T	95.3	Very high	97.3	Very high	95 Å²	95	39 Å²	39	58%	0.583	25%	0.248	S	C	*	.	S	Bend	trans	-122.4	167	178.2	64.3	0	0	0	0	112.3	T442 N501 G507	T442-T503 VanDerWaalsContact O-CG2 3.23Å; T442-T503 WeakPolarHBondContact O-CG2 3.33Å; N501-T503 VanDerWaalsContact C-N 3.29Å; N501-T503 PolarHBondContact O-N 2.92Å; T503-G507 PolarHBondContact O-N 3.47Å
504	G	93.3	Very high	97.2	Very high	67 Å²	67	32.8 Å²	32.8	69%	0.691	22%	0.224	S	C	*	.	G	3₁₀ helix	trans	65	-156.3	179.2	0	0	0	0	0	113.3	A506 G507	G504-A506 VanDerWaalsContact C-N 3.27Å; G504-A506 PolarHBondContact O-N 2.73Å; G504-G507 PolarHBondContact O-N 2.75Å
505	A	93.8	Very high	97	Very high	110 Å²	110	34.3 Å²	34.3	91%	0.909	23%	0.234	S	C	*	.	G	3₁₀ helix	trans	-66.9	-25.6	-174.6	0	0	0	0	0	113.9
506	A	94.8	Very high	96.8	Very high	46 Å²	46	39.2 Å²	39.2	38%	0.38	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	-80	-23.7	178.5	0	0	0	0	0	112.9	N501 G504 A509 T510	N501-A506 HydrophobicContact CB-CB 4.23Å; G504-A506 VanDerWaalsContact C-N 3.27Å; G504-A506 PolarHBondContact O-N 2.73Å; A506-A509 PolarHBondContact O-N 2.88Å; A506-T510 PolarHBondContact O-N 3.13Å; A506-T510 PolarHBondContact O-OG1 2.92Å
507	G	97.3	Very high	96.6	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-43.8	-60.2	-172.9	0	0	0	0	0	114.8	P439 N501 T503 G504 A509 T510 A511	P439-G507 VanDerWaalsContact CG-O 3.26Å; P439-G507 WeakPolarHBondContact CG-O 3.47Å; N501-G507 VanDerWaalsContact O-CA 3.28Å; N501-G507 WeakPolarHBondContact O-CA 3.32Å; N501-G507 PolarHBondContact O-N 3.39Å; T503-G507 PolarHBondContact O-N 3.47Å; G504-G507 PolarHBondContact O-N 2.75Å; G507-A509 VanDerWaalsContact C-N 3.29Å; G507-A509 PolarHBondContact O-N 3.46Å; G507-T510 PolarHBondContact O-N 2.63Å; G507-T510 VanDerWaalsContact O-N 3.17Å; G507-A511 PolarHBondContact O-N 3.06Å
508	P	97.2	Very high	96.4	Very high	45 Å²	45	40.9 Å²	40.9	29%	0.292	27%	0.267	S	S	.	.	H	α-helix	trans	-60	-36.5	-177	-25.1	34.8	0	0	0	113.7	L434 G437 Q512	L434-P508 HydrophobicContact CD2-CB 4.36Å; G437-P508 VanDerWaalsContact O-CG 3.3Å; G437-P508 WeakPolarHBondContact O-CG 3.49Å; P508-Q512 WeakPolarHBondContact O-CB 3.48Å; P508-Q512 PolarHBondContact O-N 2.96Å
509	A	97.5	Very high	96.1	Very high	66 Å²	66	41.6 Å²	41.6	55%	0.545	27%	0.274	S	S	.	.	H	α-helix	trans	-70.6	-39.8	177.9	0	0	0	0	0	111.6	A506 G507 Q512 Y513	A506-A509 PolarHBondContact O-N 2.88Å; G507-A509 VanDerWaalsContact C-N 3.29Å; G507-A509 PolarHBondContact O-N 3.46Å; A509-Q512 PolarHBondContact O-N 3.02Å; A509-Y513 PolarHBondContact O-N 2.98Å
510	T	98.3	Very high	95.9	Very high	4 Å²	4	42.8 Å²	42.8	3%	0.025	28%	0.277	C	S	.	.	H	α-helix	trans	-66.6	-41.8	175.2	-65.7	0	0	0	0	112.1	N478 M500 N501 L502 A506 G507 Q512 Y513 L514	N478-T510 HydrophobicContact CB-CG2 4.13Å; N478-T510 WeakPolarHBondContact O-CG2 3.45Å; M500-T510 HydrophobicContact CB-CG2 4.41Å; M500-T510 HydrophobicContact CE-CG2 4.23Å; N501-T510 HydrophobicContact CB-CG2 4.49Å; N501-T510 WeakPolarHBondContact O-CB 3.22Å; N501-T510 PolarHBondContact O-OG1 3.1Å; L502-T510 HydrophobicContact CD2-CG2 4.13Å; L502-T510 HydrophobicContact CG-CG2 4.32Å; A506-T510 PolarHBondContact O-N 3.13Å; A506-T510 PolarHBondContact O-OG1 2.92Å; G507-T510 PolarHBondContact O-N 2.63Å; G507-T510 VanDerWaalsContact O-N 3.17Å; T510-Q512 VanDerWaalsContact C-N 3.34Å; T510-Q512 PolarHBondContact O-N 3.36Å; T510-Y513 PolarHBondContact O-N 3.19Å; T510-L514 HydrophobicContact CG2-CD1 4.04Å; T510-L514 HydrophobicContact CG2-CG 4.47Å; T510-L514 WeakPolarHBondContact O-CB 3.47Å; T510-L514 WeakPolarHBondContact O-CG 3.42Å; T510-L514 PolarHBondContact O-N 2.85Å
511	A	97.6	Very high	95.8	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-60.4	-43.9	173.7	0	0	0	0	0	111.5	G432 L434 P439 L502 G507 Y513 L514 S515	G432-A511 VanDerWaalsContact CA-O 3.3Å; G432-A511 WeakPolarHBondContact CA-O 3.4Å; L434-A511 HydrophobicContact CD2-CB 3.98Å; P439-A511 HydrophobicContact CB-CB 4.01Å; P439-A511 HydrophobicContact CG-CB 3.89Å; L502-A511 HydrophobicContact CD2-CB 4.06Å; G507-A511 PolarHBondContact O-N 3.06Å; A511-Y513 VanDerWaalsContact C-N 3.33Å; A511-Y513 PolarHBondContact O-N 3.23Å; A511-L514 PolarHBondContact O-N 3.22Å; A511-S515 PolarHBondContact O-N 3.41Å
512	Q	94.8	Very high	95.8	Very high	110 Å²	110	44.7 Å²	44.7	51%	0.514	28%	0.281	S	S	.	.	H	α-helix	trans	-63.6	-36.6	175.1	-178.6	59.6	75	0	0	112.9	P508 A509 T510 S515	P508-Q512 WeakPolarHBondContact O-CB 3.48Å; P508-Q512 PolarHBondContact O-N 2.96Å; A509-Q512 PolarHBondContact O-N 3.02Å; T510-Q512 VanDerWaalsContact C-N 3.34Å; T510-Q512 PolarHBondContact O-N 3.36Å; Q512-S515 PolarHBondContact NE2-OG 2.93Å; Q512-S515 PolarHBondContact O-OG 3.31Å
513	Y	97	Very high	95.8	Very high	34 Å²	34	46.2 Å²	46.2	13%	0.133	29%	0.287	C	S	.	.	H	α-helix	trans	-66.2	-44.3	173.7	170.9	-103.5	0	0	0	111.4	T474 F475 N478 A509 T510 A511 S515 Q516 Y517	T474-Y513 HydrophobicContact CG2-CE2 4.22Å; F475-Y513 WeakPolarHBondContact CA-OH 3.5Å; F475-Y513 HydrophobicContact CD2-CE1 4.18Å; N478-Y513 HydrophobicContact CB-CD1 3.78Å; N478-Y513 HydrophobicContact CB-CE1 4.12Å; N478-Y513 VanDerWaalsContact CG-CD1 3.42Å; N478-Y513 WeakPolarHBondContact ND2-CD1 3.33Å; A509-Y513 PolarHBondContact O-N 2.98Å; T510-Y513 PolarHBondContact O-N 3.19Å; A511-Y513 VanDerWaalsContact C-N 3.33Å; A511-Y513 PolarHBondContact O-N 3.23Å; Y513-S515 VanDerWaalsContact C-N 3.3Å; Y513-S515 PolarHBondContact O-N 3.17Å; Y513-Q516 VanDerWaalsContact O-CG 3.29Å; Y513-Q516 WeakPolarHBondContact O-CG 3.42Å; Y513-Q516 PolarHBondContact O-NE2 2.91Å; Y513-Y517 AromaticContact CE1-CE2 3.94Å; Y513-Y517 HydrophobicContact CE1-CE2 3.94Å; Y513-Y517 HydrophobicContact CE2-CE2 4.15Å; Y513-Y517 AromaticContact CZ-CE2 3.66Å; Y513-Y517 PolarHBondContact OH-OH 2.91Å
514	L	96.9	Very high	96	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.005	26%	0.26	C	S	.	.	H	α-helix	trans	-70.1	-24.3	179.4	-74	174.2	0	0	0	113.2	I431 L444 M500 L502 T510 A511 Q516 Y517 A518	I431-L514 HydrophobicContact CD1-CD1 4.47Å; I431-L514 HydrophobicContact CG1-CB 4.03Å; I431-L514 HydrophobicContact CG1-CD1 3.84Å; I431-L514 HydrophobicContact CG2-CB 3.94Å; L444-L514 HydrophobicContact CD2-CD1 4.37Å; M500-L514 HydrophobicContact CB-CD1 4.17Å; M500-L514 HydrophobicContact CE-CD1 4.07Å; M500-L514 HydrophobicContact CE-CD2 3.91Å; M500-L514 HydrophobicContact CE-CG 4.2Å; M500-L514 HydrophobicContact CG-CD1 4.11Å; L502-L514 HydrophobicContact CD1-CD1 4.5Å; L502-L514 HydrophobicContact CD2-CD1 4.14Å; L502-L514 HydrophobicContact CG-CD1 4.49Å; T510-L514 HydrophobicContact CG2-CD1 4.04Å; T510-L514 HydrophobicContact CG2-CG 4.47Å; T510-L514 WeakPolarHBondContact O-CB 3.47Å; T510-L514 WeakPolarHBondContact O-CG 3.42Å; T510-L514 PolarHBondContact O-N 2.85Å; A511-L514 PolarHBondContact O-N 3.22Å; L514-Q516 PolarHBondContact O-N 3.43Å; L514-Q516 VanDerWaalsContact O-N 3.1Å; L514-Y517 CarbonylContact O-C 3.49Å; L514-Y517 WeakPolarHBondContact O-CA 3.37Å; L514-Y517 PolarHBondContact O-N 3.26Å; L514-A518 PolarHBondContact O-N 3.11Å
515	S	94.3	Very high	96.2	Very high	32 Å²	32	39.9 Å²	39.9	22%	0.224	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-59.1	-26.8	-178.9	80.9	0	0	0	0	113.3	A511 Q512 Y513 Y517 A518	A511-S515 PolarHBondContact O-N 3.41Å; Q512-S515 PolarHBondContact NE2-OG 2.93Å; Q512-S515 PolarHBondContact O-OG 3.31Å; Y513-S515 VanDerWaalsContact C-N 3.3Å; Y513-S515 PolarHBondContact O-N 3.17Å; S515-Y517 PolarHBondContact O-N 2.79Å; S515-A518 WeakPolarHBondContact O-CB 3.43Å; S515-A518 PolarHBondContact O-N 3.47Å
516	Q	93.7	Very high	96.4	Very high	103 Å²	103	34.6 Å²	34.6	48%	0.481	19%	0.189	S	C	.	.	G	3₁₀ helix	trans	-71	-15.1	176.7	82.1	-167.9	-60	0	0	113.1	Y513 L514 Q520	Y513-Q516 VanDerWaalsContact O-CG 3.29Å; Y513-Q516 WeakPolarHBondContact O-CG 3.42Å; Y513-Q516 PolarHBondContact O-NE2 2.91Å; L514-Q516 PolarHBondContact O-N 3.43Å; L514-Q516 VanDerWaalsContact O-N 3.1Å; Q516-Q520 PolarHBondContact O-NE2 2.99Å
517	Y	95.2	Very high	96.6	Very high	32 Å²	32	32.4 Å²	32.4	13%	0.125	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-113.2	4.9	-178.7	-55.4	-52.7	0	0	0	112.6	I465 V470 Y513 L514 S515 G519 Q520	I465-Y517 HydrophobicContact CB-CD1 4.01Å; I465-Y517 HydrophobicContact CB-CE1 4.26Å; I465-Y517 HydrophobicContact CD1-CD1 4.16Å; I465-Y517 HydrophobicContact CD1-CD2 3.92Å; I465-Y517 HydrophobicContact CD1-CE1 4.23Å; I465-Y517 HydrophobicContact CD1-CE2 3.99Å; I465-Y517 HydrophobicContact CD1-CG 4.01Å; I465-Y517 HydrophobicContact CG2-CD1 3.49Å; I465-Y517 VanDerWaalsContact CG2-CD1 3.49Å; I465-Y517 HydrophobicContact CG2-CE1 4.24Å; I465-Y517 HydrophobicContact CG2-CG 3.76Å; V470-Y517 HydrophobicContact CG1-CE1 4.37Å; Y513-Y517 AromaticContact CE1-CE2 3.94Å; Y513-Y517 HydrophobicContact CE1-CE2 3.94Å; Y513-Y517 HydrophobicContact CE2-CE2 4.15Å; Y513-Y517 AromaticContact CZ-CE2 3.66Å; Y513-Y517 PolarHBondContact OH-OH 2.91Å; L514-Y517 CarbonylContact O-C 3.49Å; L514-Y517 WeakPolarHBondContact O-CA 3.37Å; L514-Y517 PolarHBondContact O-N 3.26Å; S515-Y517 PolarHBondContact O-N 2.79Å; Y517-G519 PolarHBondContact O-N 2.95Å; Y517-Q520 WeakPolarHBondContact O-CB 3.46Å; Y517-Q520 PolarHBondContact O-N 3.35Å
518	A	94.1	Very high	96.7	Very high	21 Å²	21	32.5 Å²	32.5	17%	0.174	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	131.3	179.5	0	0	0	0	0	111	S429 I431 L514 S515 Q520	S429-A518 WeakPolarHBondContact O-CB 3.1Å; I431-A518 HydrophobicContact CG2-CB 4.04Å; L514-A518 PolarHBondContact O-N 3.11Å; S515-A518 WeakPolarHBondContact O-CB 3.43Å; S515-A518 PolarHBondContact O-N 3.47Å; A518-Q520 PolarHBondContact O-N 2.89Å
519	G	92.2	Very high	96.7	Very high	14 Å²	14	30.5 Å²	30.5	14%	0.144	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.6	-3.2	-177.7	0	0	0	0	0	115.3	I427 Y517	I427-G519 WeakPolarHBondContact O-CA 3.36Å; I427-G519 PolarHBondContact O-N 3.39Å; Y517-G519 PolarHBondContact O-N 2.95Å
520	Q	94.7	Very high	96.7	Very high	70 Å²	70	27.3 Å²	27.3	33%	0.327	13%	0.132	S	C	.	.	P	Polyproline II helix	trans	-91.3	151.3	-178.8	-63.3	177	43	0	0	111.7	I427 I465 Q516 Y517 A518	I427-Q520 PolarHBondContact N-O 3.4Å; I465-Q520 HydrophobicContact CG2-CB 4.08Å; Q516-Q520 PolarHBondContact O-NE2 2.99Å; Y517-Q520 WeakPolarHBondContact O-CB 3.46Å; Y517-Q520 PolarHBondContact O-N 3.35Å; A518-Q520 PolarHBondContact O-N 2.89Å
521	R	97	Very high	96.5	Very high	87 Å²	87	27.3 Å²	27.3	33%	0.328	13%	0.132	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	125.4	172.8	-170.7	168.2	-74.1	-159.6	-10.9	110.4	E389 E392 F425 V426 I465 G466 E523	E389-R521 IonicContact OE2-NH2 3.74Å; E389-R521 PolarHBondContact OE2-NH2 3.46Å; E392-R521 IonicContact OE1-CZ 2.7Å; E392-R521 IonicContact OE1-NH1 2.62Å; E392-R521 PolarHBondContact OE1-NH1 2.91Å; E392-R521 IonicContact OE1-NH2 2.78Å; E392-R521 PolarHBondContact OE1-NH2 3.07Å; E392-R521 IonicContact OE2-CZ 2.94Å; E392-R521 IonicContact OE2-NH1 3.14Å; E392-R521 PolarHBondContact OE2-NH1 2.93Å; E392-R521 IonicContact OE2-NH2 3.03Å; F425-R521 CarbonylContact O-C 3.49Å; F425-R521 WeakPolarHBondContact O-CA 3.46Å; V426-R521 HydrophobicContact CG2-CB 4.48Å; I465-R521 CarbonylContact C-O 3.56Å; I465-R521 WeakPolarHBondContact CA-O 3.44Å; G466-R521 PolarHBondContact N-O 3.34Å; R521-E523 HydrophobicContact CG-CG 4.37Å
522	I	98.5	Very high	96.3	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	141.1	166.9	-179.2	161.2	0	0	0	109.2	S424 F425 I427 F446 I463 V464 I465 F475 F524	S424-I522 CarbonylContact C-O 3.52Å; S424-I522 WeakPolarHBondContact CA-O 3.32Å; S424-I522 WeakPolarHBondContact CB-O 3.45Å; F425-I522 HydrophobicContact CB-CG2 4.17Å; F425-I522 PolarHBondContact N-O 2.75Å; F425-I522 VanDerWaalsContact O-CG2 3.29Å; F425-I522 WeakPolarHBondContact O-CG2 3.31Å; F425-I522 PolarHBondContact O-N 3.47Å; I427-I522 HydrophobicContact CD1-CB 4.07Å; I427-I522 HydrophobicContact CD1-CG2 4.19Å; I427-I522 HydrophobicContact CG1-CB 4.27Å; I427-I522 HydrophobicContact CG1-CG2 3.88Å; F446-I522 HydrophobicContact CE1-CG2 4.01Å; F446-I522 HydrophobicContact CZ-CD1 4.49Å; F446-I522 HydrophobicContact CZ-CG2 4.1Å; I463-I522 HydrophobicContact CG2-CD1 4.02Å; I463-I522 HydrophobicContact CG2-CG1 4.11Å; V464-I522 CarbonylContact O-C 3.55Å; V464-I522 WeakPolarHBondContact O-CA 3.36Å; I465-I522 HydrophobicContact CD1-CD1 3.91Å; I465-I522 HydrophobicContact CD1-CG1 4.33Å; I465-I522 HydrophobicContact CG1-CB 4.16Å; I465-I522 HydrophobicContact CG1-CD1 4.04Å; I465-I522 HydrophobicContact CG1-CG1 3.89Å; F475-I522 HydrophobicContact CE2-CD1 3.86Å; F475-I522 HydrophobicContact CZ-CD1 3.67Å; I522-F524 HydrophobicContact CD1-CE1 4.18Å; I522-F524 HydrophobicContact CD1-CE2 3.87Å; I522-F524 HydrophobicContact CD1-CZ 3.5Å; I522-F524 VanDerWaalsContact CD1-CZ 3.5Å; I522-F524 HydrophobicContact CG1-CD2 4.45Å; I522-F524 HydrophobicContact CG1-CE2 3.88Å; I522-F524 HydrophobicContact CG1-CZ 3.98Å; I522-F524 HydrophobicContact CG2-CE2 4.47Å
523	E	98.6	Very high	96.3	Very high	33 Å²	33	32.8 Å²	32.8	15%	0.154	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	127.8	177.6	-53.3	178.5	123.9	0	0	109.7	R422 A423 I463 V464 R521 Y525	R422-E523 HydrophobicContact CG-CB 4.4Å; R422-E523 IonicContact NE-OE1 3.55Å; R422-E523 IonicContact NH1-OE1 3.82Å; A423-E523 CarbonylContact O-C 3.53Å; A423-E523 WeakPolarHBondContact O-CA 3.49Å; I463-E523 WeakPolarHBondContact CA-O 3.31Å; V464-E523 HydrophobicContact CB-CB 4.29Å; V464-E523 PolarHBondContact N-O 2.77Å; V464-E523 PolarHBondContact O-N 2.82Å; R521-E523 HydrophobicContact CG-CG 4.37Å; E523-Y525 HydrophobicContact CB-CD2 4.36Å; E523-Y525 HydrophobicContact CB-CE2 3.78Å; E523-Y525 PolarHBondContact OE2-OH 2.8Å
524	F	98.4	Very high	96.2	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	114.6	170.5	-60	-85.7	0	0	0	108.4	R422 A423 F446 I460 I463 F475 F496 I498 I522 Y526 F544	R422-F524 WeakPolarHBondContact CA-O 3.38Å; A423-F524 HydrophobicContact CB-CB 4.5Å; A423-F524 PolarHBondContact N-O 2.91Å; A423-F524 PolarHBondContact O-N 3Å; F446-F524 HydrophobicContact CB-CE2 4.09Å; F446-F524 HydrophobicContact CB-CZ 4.21Å; F446-F524 AromaticContact CD1-CE2 3.83Å; F446-F524 HydrophobicContact CD1-CE2 3.83Å; F446-F524 HydrophobicContact CD1-CZ 4.33Å; F446-F524 HydrophobicContact CD2-CE2 4.23Å; F446-F524 AromaticContact CD2-CZ 3.89Å; F446-F524 HydrophobicContact CD2-CZ 3.89Å; F446-F524 HydrophobicContact CE1-CE2 4.26Å; F446-F524 HydrophobicContact CE2-CZ 4.31Å; F446-F524 AromaticContact CG-CE2 3.79Å; F446-F524 HydrophobicContact CG-CE2 3.79Å; F446-F524 AromaticContact CG-CZ 3.9Å; F446-F524 HydrophobicContact CG-CZ 3.9Å; I460-F524 HydrophobicContact CD1-CD1 4.34Å; I463-F524 HydrophobicContact CD1-CD1 4.18Å; I463-F524 HydrophobicContact CD1-CE1 3.97Å; I463-F524 HydrophobicContact CG1-CD1 3.91Å; I463-F524 HydrophobicContact CG1-CE1 4.15Å; I463-F524 HydrophobicContact CG2-CD1 4.35Å; I463-F524 HydrophobicContact CG2-CE1 4.19Å; F475-F524 HydrophobicContact CE1-CE1 4.23Å; F475-F524 HydrophobicContact CE1-CZ 4.47Å; F475-F524 HydrophobicContact CZ-CZ 4.45Å; F496-F524 HydrophobicContact CZ-CB 4.2Å; F496-F524 HydrophobicContact CZ-CG 4.25Å; I498-F524 HydrophobicContact CD1-CD1 4.2Å; I498-F524 HydrophobicContact CD1-CE1 3.65Å; I498-F524 HydrophobicContact CD1-CZ 4.32Å; I522-F524 HydrophobicContact CD1-CE1 4.18Å; I522-F524 HydrophobicContact CD1-CE2 3.87Å; I522-F524 HydrophobicContact CD1-CZ 3.5Å; I522-F524 VanDerWaalsContact CD1-CZ 3.5Å; I522-F524 HydrophobicContact CG1-CD2 4.45Å; I522-F524 HydrophobicContact CG1-CE2 3.88Å; I522-F524 HydrophobicContact CG1-CZ 3.98Å; I522-F524 HydrophobicContact CG2-CE2 4.47Å; F524-Y526 HydrophobicContact CB-CD1 4.43Å; F524-F544 HydrophobicContact CD2-CE2 4.47Å; F524-F544 HydrophobicContact CD2-CZ 4.08Å; F524-F544 HydrophobicContact CE2-CZ 4.19Å
525	Y	98.3	Very high	96.2	Very high	29 Å²	29	33.2 Å²	33.2	11%	0.114	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	123.1	167.5	-63.5	-102.4	0	0	0	107.2	Y421 R422 I460 D461 Q462 V464 E523	Y421-Y525 WeakPolarHBondContact O-CA 3.45Å; R422-Y525 HydrophobicContact CB-CD1 4.34Å; R422-Y525 HydrophobicContact CB-CE1 4.22Å; R422-Y525 VanDerWaalsContact CD-CZ 3.47Å; R422-Y525 VanDerWaalsContact CD-OH 3.26Å; R422-Y525 WeakPolarHBondContact CD-OH 3.33Å; R422-Y525 HydrophobicContact CG-CE1 4.19Å; R422-Y525 PolarHBondContact NH1-OH 3.42Å; I460-Y525 CarbonylContact C-O 3.6Å; D461-Y525 PolarHBondContact N-O 3.12Å; Q462-Y525 HydrophobicContact CG-CD2 3.65Å; Q462-Y525 HydrophobicContact CG-CG 3.8Å; Q462-Y525 PolarHBondContact N-O 2.92Å; Q462-Y525 PolarHBondContact O-N 2.88Å; V464-Y525 HydrophobicContact CB-CE2 4.32Å; V464-Y525 HydrophobicContact CG2-CD2 4.23Å; V464-Y525 HydrophobicContact CG2-CE2 3.85Å; E523-Y525 HydrophobicContact CB-CD2 4.36Å; E523-Y525 HydrophobicContact CB-CE2 3.78Å; E523-Y525 PolarHBondContact OE2-OH 2.8Å
526	Y	98.3	Very high	96.2	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	160.6	-176.9	68.1	-89.8	0	0	0	111.4	K393 Y421 A423 D448 F457 G459 D461 F496 F524 V528 N542	K393-Y526 WeakPolarHBondContact CE-OH 3.39Å; K393-Y526 PolarHBondContact NZ-OH 2.82Å; K393-Y526 VanDerWaalsContact NZ-OH 3.15Å; Y421-Y526 WeakPolarHBondContact CB-OH 3.46Å; Y421-Y526 AromaticContact CD2-CE2 3.77Å; Y421-Y526 HydrophobicContact CD2-CE2 3.77Å; Y421-Y526 HydrophobicContact CG-CE1 4.47Å; Y421-Y526 AromaticContact CG-CE2 3.89Å; Y421-Y526 HydrophobicContact CG-CE2 3.89Å; Y421-Y526 AromaticContact CG-CZ 3.74Å; Y421-Y526 PolarHBondContact N-O 3.03Å; Y421-Y526 PolarHBondContact O-N 3.18Å; A423-Y526 HydrophobicContact CB-CE1 3.95Å; D448-Y526 PolarHBondContact OD1-OH 2.96Å; D448-Y526 PolarHBondContact OD2-OH 3.38Å; F457-Y526 AromaticContact CE2-CD2 3.74Å; F457-Y526 HydrophobicContact CE2-CD2 3.74Å; F457-Y526 HydrophobicContact CE2-CG 4.25Å; G459-Y526 WeakPolarHBondContact O-CA 3.37Å; G459-Y526 VanDerWaalsContact O-CB 3.29Å; G459-Y526 WeakPolarHBondContact O-CB 3.33Å; D461-Y526 VanDerWaalsContact OD2-CA 3.22Å; D461-Y526 WeakPolarHBondContact OD2-CA 3.44Å; F496-Y526 AromaticContact CE1-CD1 3.65Å; F496-Y526 HydrophobicContact CE1-CD1 3.65Å; F496-Y526 HydrophobicContact CE1-CD2 4.37Å; F496-Y526 AromaticContact CE1-CE1 3.81Å; F496-Y526 HydrophobicContact CE1-CE1 3.81Å; F496-Y526 AromaticContact CE1-CG 3.93Å; F496-Y526 HydrophobicContact CE1-CG 3.93Å; F496-Y526 HydrophobicContact CZ-CD1 4.35Å; F496-Y526 HydrophobicContact CZ-CE1 4.38Å; F524-Y526 HydrophobicContact CB-CD1 4.43Å; Y526-V528 HydrophobicContact CD2-CG1 4.45Å; Y526-V528 HydrophobicContact CE2-CG1 4.38Å; Y526-N542 PolarHBondContact OH-ND2 2.79Å
527	T	98.6	Very high	96.2	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	138.9	-173	-61.6	0	0	0	0	111.3	Q418 I419 H420 E458 G459 D461	Q418-T527 HydrophobicContact CB-CG2 3.67Å; Q418-T527 HydrophobicContact CG-CG2 3.86Å; I419-T527 WeakPolarHBondContact O-CA 3.3Å; H420-T527 PolarHBondContact CE1-OG1 2.64Å; H420-T527 PolarHBondContact ND1-OG1 3.24Å; E458-T527 HydrophobicContact CB-CG2 3.84Å; E458-T527 WeakPolarHBondContact CB-O 3.3Å; E458-T527 HydrophobicContact CG-CG2 3.87Å; E458-T527 PolarHBondContact N-O 3.4Å; G459-T527 PolarHBondContact N-O 2.9Å; G459-T527 PolarHBondContact O-N 2.85Å; D461-T527 PolarHBondContact OD1-OG1 3.06Å; D461-T527 PolarHBondContact OD2-N 3.18Å; D461-T527 PolarHBondContact OD2-OG1 2.75Å
528	V	98.6	Very high	96.2	Very high	1 Å²	1	29.9 Å²	29.9	1%	0.006	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	164.9	165.2	-58.4	0	0	0	0	110.2	I419 Y421 V455 K456 F457 Y526 I566	I419-V528 HydrophobicContact CB-CG2 3.9Å; I419-V528 HydrophobicContact CG2-CG2 4.25Å; I419-V528 PolarHBondContact N-O 3.33Å; I419-V528 PolarHBondContact O-N 2.88Å; Y421-V528 HydrophobicContact CD2-CG2 4.26Å; Y421-V528 HydrophobicContact CE2-CG2 3.79Å; V455-V528 HydrophobicContact CG1-CB 3.82Å; V455-V528 HydrophobicContact CG1-CG1 4.42Å; V455-V528 HydrophobicContact CG1-CG2 4.16Å; K456-V528 CarbonylContact O-C 3.48Å; K456-V528 WeakPolarHBondContact O-CA 3.43Å; K456-V528 WeakPolarHBondContact O-CB 3.25Å; F457-V528 HydrophobicContact CD2-CG1 4.07Å; Y526-V528 HydrophobicContact CD2-CG1 4.45Å; Y526-V528 HydrophobicContact CE2-CG1 4.38Å; V528-I566 HydrophobicContact CG2-CD1 4.26Å
529	S	97.8	Very high	96.2	Very high	3 Å²	3	31.7 Å²	31.7	2%	0.021	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	148.9	172.1	62.9	0	0	0	0	110.7	Q417 V455 K456 E458	Q417-S529 WeakPolarHBondContact O-CA 3.41Å; Q417-S529 VanDerWaalsContact O-CB 3.22Å; Q417-S529 WeakPolarHBondContact O-CB 3.45Å; V455-S529 WeakPolarHBondContact CG1-O 3.38Å; K456-S529 PolarHBondContact N-O 3.44Å; K456-S529 PolarHBondContact O-N 3.21Å; E458-S529 WeakPolarHBondContact OE1-CB 3.24Å; E458-S529 PolarHBondContact OE1-OG 2.92Å
530	F	97.1	Very high	96.5	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	149.3	170.6	-63	-30.2	0	0	0	110.8	F413 V415 G416 I419 V455 T534 I540 I566 I567 T568	F413-F530 HydrophobicContact CB-CD2 4.07Å; F413-F530 HydrophobicContact CB-CE2 3.77Å; V415-F530 HydrophobicContact CG2-CB 4Å; G416-F530 PolarHBondContact N-O 3.39Å; I419-F530 HydrophobicContact CD1-CD1 4.23Å; I419-F530 HydrophobicContact CD1-CD2 4.21Å; I419-F530 HydrophobicContact CD1-CE1 3.96Å; I419-F530 HydrophobicContact CD1-CE2 3.93Å; I419-F530 HydrophobicContact CD1-CG 4.36Å; I419-F530 HydrophobicContact CD1-CZ 3.82Å; V455-F530 HydrophobicContact CG2-CD1 4.17Å; V455-F530 HydrophobicContact CG2-CE1 4.38Å; F530-T534 WeakPolarHBondContact CA-OG1 3.5Å; F530-T534 HydrophobicContact CB-CG2 4.21Å; F530-T534 WeakPolarHBondContact CB-OG1 3.46Å; F530-T534 HydrophobicContact CD1-CG2 3.79Å; F530-T534 HydrophobicContact CE1-CG2 4.28Å; F530-T534 HydrophobicContact CG-CG2 3.98Å; F530-I540 HydrophobicContact CD1-CD1 4.12Å; F530-I540 HydrophobicContact CE1-CD1 3.44Å; F530-I540 VanDerWaalsContact CE1-CD1 3.44Å; F530-I540 HydrophobicContact CZ-CD1 3.97Å; F530-I566 HydrophobicContact CE1-CB 4.43Å; F530-I566 HydrophobicContact CE1-CD1 3.41Å; F530-I566 VanDerWaalsContact CE1-CD1 3.41Å; F530-I566 HydrophobicContact CE1-CG1 3.73Å; F530-I566 HydrophobicContact CZ-CB 3.79Å; F530-I566 HydrophobicContact CZ-CD1 3.66Å; F530-I566 HydrophobicContact CZ-CG1 3.59Å; F530-I567 VanDerWaalsContact CE2-O 3.31Å; F530-I567 WeakPolarHBondContact CE2-O 3.5Å; F530-T568 HydrophobicContact CD2-CG2 4.4Å
531	T	95.8	Very high	96.7	Very high	4 Å²	4	31 Å²	31	3%	0.025	16%	0.155	C	C	.	.			trans	-118.7	176	176.7	78.6	0	0	0	0	109.9	V415 G454 K456 F490 E533 T534	V415-T531 WeakPolarHBondContact CG2-O 3.37Å; G454-T531 VanDerWaalsContact O-CB 3.28Å; G454-T531 WeakPolarHBondContact O-CB 3.5Å; G454-T531 VanDerWaalsContact O-CG2 3.25Å; G454-T531 WeakPolarHBondContact O-CG2 3.49Å; G454-T531 PolarHBondContact O-N 3.03Å; G454-T531 PolarHBondContact O-OG1 2.92Å; K456-T531 HydrophobicContact CB-CG2 3.76Å; F490-T531 HydrophobicContact CD1-CG2 4.25Å; F490-T531 HydrophobicContact CD2-CG2 3.64Å; F490-T531 HydrophobicContact CE1-CG2 4.26Å; F490-T531 HydrophobicContact CE2-CG2 3.64Å; F490-T531 HydrophobicContact CG-CG2 3.95Å; F490-T531 HydrophobicContact CZ-CG2 3.97Å; T531-E533 PolarHBondContact O-N 3.36Å; T531-E533 VanDerWaalsContact O-N 3.14Å; T531-E533 PolarHBondContact OG1-N 2.9Å; T531-T534 PolarHBondContact N-OG1 2.99Å; T531-T534 WeakPolarHBondContact O-CB 3.28Å; T531-T534 PolarHBondContact O-N 2.82Å; T531-T534 PolarHBondContact O-OG1 2.97Å
532	D	92.5	Very high	96.7	Very high	88 Å²	88	27.4 Å²	27.4	47%	0.471	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-15.1	175.2	-74.8	-14.7	0	0	0	113.4
533	E	94.1	Very high	96.7	Very high	136 Å²	136	32.6 Å²	32.6	64%	0.636	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.4	-3.6	176.1	-56.5	-65.1	166.9	0	0	112.8	T531	T531-E533 PolarHBondContact O-N 3.36Å; T531-E533 VanDerWaalsContact O-N 3.14Å; T531-E533 PolarHBondContact OG1-N 2.9Å
534	T	95.9	Very high	96.7	Very high	8 Å²	8	31 Å²	31	5%	0.049	16%	0.159	C	C	.	.	S	Bend	trans	-64.8	128.6	178.7	-62.8	0	0	0	0	110.6	G454 F530 T531 V536 I540 T568	G454-T534 PolarHBondContact O-OG1 2.81Å; F530-T534 WeakPolarHBondContact CA-OG1 3.5Å; F530-T534 HydrophobicContact CB-CG2 4.21Å; F530-T534 WeakPolarHBondContact CB-OG1 3.46Å; F530-T534 HydrophobicContact CD1-CG2 3.79Å; F530-T534 HydrophobicContact CE1-CG2 4.28Å; F530-T534 HydrophobicContact CG-CG2 3.98Å; T531-T534 PolarHBondContact N-OG1 2.99Å; T531-T534 WeakPolarHBondContact O-CB 3.28Å; T531-T534 PolarHBondContact O-N 2.82Å; T531-T534 PolarHBondContact O-OG1 2.97Å; T534-V536 PolarHBondContact O-N 3.19Å; T534-I540 HydrophobicContact CG2-CD1 3.61Å; T534-T568 HydrophobicContact CG2-CG2 4.04Å
535	P	95.7	Very high	96.7	Very high	37 Å²	37	31.9 Å²	31.9	24%	0.24	16%	0.164	C	C	.	.	P	Polyproline II helix	trans	-58.4	130.6	173	-24.3	34.3	0	0	0	112.2	T453 L538	T453-P535 VanDerWaalsContact O-CD 3.3Å; T453-P535 WeakPolarHBondContact O-CD 3.27Å; P535-L538 HydrophobicContact CB-CB 3.95Å; P535-L538 HydrophobicContact CB-CD2 3.73Å; P535-L538 HydrophobicContact CB-CG 4.48Å; P535-L538 HydrophobicContact CG-CD2 4.15Å
536	V	95.6	Very high	96.8	Very high	18 Å²	18	30.5 Å²	30.5	11%	0.109	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.2	142.9	179.6	-175.1	0	0	0	0	109.7	T534 L538 T637 Y671 N672	T534-V536 PolarHBondContact O-N 3.19Å; V536-L538 PolarHBondContact O-N 3.44Å; V536-T637 HydrophobicContact CG2-CG2 3.78Å; V536-Y671 HydrophobicContact CB-CD1 3.65Å; V536-Y671 HydrophobicContact CB-CE1 3.83Å; V536-Y671 HydrophobicContact CB-CG 4.18Å; V536-Y671 HydrophobicContact CG1-CD1 3.57Å; V536-Y671 HydrophobicContact CG1-CD2 4.22Å; V536-Y671 HydrophobicContact CG1-CE1 4.15Å; V536-Y671 HydrophobicContact CG1-CG 3.58Å; V536-Y671 HydrophobicContact CG2-CE1 4.37Å; V536-N672 PolarHBondContact O-ND2 2.87Å
537	D	93.7	Very high	96.8	Very high	12 Å²	12	31.2 Å²	31.2	6%	0.064	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.4	39.6	-178.1	-80.9	-3.6	0	0	0	112.9	T568 D669 S670 Y671 N672	D537-T568 PolarHBondContact N-O 3.21Å; D537-D669 VanDerWaalsContact OD2-C 3.24Å; D537-D669 WeakPolarHBondContact OD2-CA 3.34Å; D537-D669 PolarHBondContact OD2-N 3.43Å; D537-S670 PolarHBondContact OD2-N 2.96Å; D537-Y671 VanDerWaalsContact OD2-CA 3.28Å; D537-Y671 WeakPolarHBondContact OD2-CA 3.42Å; D537-Y671 WeakPolarHBondContact OD2-CB 3.38Å; D537-Y671 PolarHBondContact OD2-N 2.59Å; D537-N672 HydrophobicContact CB-CB 3.79Å; D537-N672 WeakPolarHBondContact CB-ND2 3.27Å; D537-N672 PolarHBondContact O-ND2 2.86Å; D537-N672 PolarHBondContact OD2-N 2.83Å
538	L	94.7	Very high	96.7	Very high	67 Å²	67	31.7 Å²	31.7	35%	0.351	17%	0.166	S	C	.	.			trans	-128	127.7	172.9	-174.8	61.5	0	0	0	108.5	Q452 P535 V536 I540	Q452-L538 HydrophobicContact CG-CD2 3.97Å; Q452-L538 HydrophobicContact CG-CG 4.42Å; P535-L538 HydrophobicContact CB-CB 3.95Å; P535-L538 HydrophobicContact CB-CD2 3.73Å; P535-L538 HydrophobicContact CB-CG 4.48Å; P535-L538 HydrophobicContact CG-CD2 4.15Å; V536-L538 PolarHBondContact O-N 3.44Å; L538-I540 PolarHBondContact O-N 2.82Å
539	D	95.2	Very high	96.7	Very high	58 Å²	58	32.6 Å²	32.6	31%	0.31	17%	0.17	S	C	.	.			trans	-64.5	128.2	174.6	-66	-19.1	0	0	0	108.8	P565 I567 K668	D539-P565 HydrophobicContact CB-CB 3.78Å; D539-P565 HydrophobicContact CB-CG 3.72Å; D539-I567 WeakPolarHBondContact OD1-CD1 3.1Å; D539-K668 IonicContact OD1-NZ 3.27Å; D539-K668 PolarHBondContact OD1-NZ 3.48Å; D539-K668 VanDerWaalsContact OD1-NZ 3.11Å; D539-K668 IonicContact OD2-NZ 2.65Å
540	I	97.7	Very high	96.5	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.178	C	C	.	.	B	Isolated β-bridge	trans	-109.9	108.8	176.2	-57.1	167.3	0	0	0	107.2	V450 D451 Q452 V455 F530 T534 L538 P565 I566	V450-I540 HydrophobicContact CB-CG2 3.83Å; V450-I540 HydrophobicContact CG1-CG2 4.2Å; D451-I540 WeakPolarHBondContact OD1-CA 3.34Å; Q452-I540 HydrophobicContact CB-CD1 4.49Å; Q452-I540 HydrophobicContact CB-CG1 3.95Å; Q452-I540 HydrophobicContact CB-CG2 4.23Å; Q452-I540 HydrophobicContact CG-CB 4.3Å; Q452-I540 HydrophobicContact CG-CG1 3.72Å; Q452-I540 HydrophobicContact CG-CG2 4.32Å; V455-I540 HydrophobicContact CG2-CD1 4.06Å; V455-I540 HydrophobicContact CG2-CG2 4.28Å; F530-I540 HydrophobicContact CD1-CD1 4.12Å; F530-I540 HydrophobicContact CE1-CD1 3.44Å; F530-I540 VanDerWaalsContact CE1-CD1 3.44Å; F530-I540 HydrophobicContact CZ-CD1 3.97Å; T534-I540 HydrophobicContact CG2-CD1 3.61Å; L538-I540 PolarHBondContact O-N 2.82Å; I540-P565 WeakPolarHBondContact O-CA 3.43Å; I540-P565 WeakPolarHBondContact O-CB 3.42Å; I540-I566 HydrophobicContact CB-CG1 3.85Å; I540-I566 WeakPolarHBondContact CB-O 3.29Å; I540-I566 HydrophobicContact CG2-CD1 4.48Å; I540-I566 HydrophobicContact CG2-CG1 4.15Å; I540-I566 PolarHBondContact N-O 2.91Å; I540-I566 PolarHBondContact O-N 3.18Å
541	N	97.7	Very high	96.1	Very high	71 Å²	71	37.4 Å²	37.4	38%	0.38	20%	0.195	S	C	.	.			trans	-87.4	160.1	176.5	-54.1	-73.5	0	0	0	109.7	V450 D451	V450-N541 CarbonylContact C-O 3.57Å; V450-N541 WeakPolarHBondContact CA-O 3.43Å; D451-N541 PolarHBondContact N-O 3.18Å; D451-N541 PolarHBondContact OD1-N 3.2Å; D451-N541 WeakPolarHBondContact OD2-CB 3.25Å; D451-N541 PolarHBondContact OD2-ND2 3.15Å
542	N	98	Very high	95.7	Very high	10 Å²	10	40.6 Å²	40.6	5%	0.053	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	124.8	178.7	-165.5	5.4	0	0	0	110.4	K393 Y421 D448 A449 V450 Y526	K393-N542 WeakPolarHBondContact CD-O 3.32Å; K393-N542 WeakPolarHBondContact CE-ND2 3.5Å; K393-N542 WeakPolarHBondContact CE-O 3.47Å; K393-N542 PolarHBondContact NZ-ND2 2.89Å; K393-N542 PolarHBondContact NZ-O 2.73Å; K393-N542 PolarHBondContact NZ-OD1 3.41Å; Y421-N542 HydrophobicContact CE1-CB 4.13Å; D448-N542 PolarHBondContact OD1-ND2 3.09Å; D448-N542 PolarHBondContact OD1-OD1 3.17Å; A449-N542 PolarHBondContact O-OD1 3.48Å; V450-N542 HydrophobicContact CG1-CB 4.09Å; V450-N542 PolarHBondContact N-OD1 2.8Å; Y526-N542 PolarHBondContact OH-ND2 2.79Å
543	E	98.5	Very high	95.6	Very high	110 Å²	110	38.1 Å²	38.1	51%	0.514	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	129.5	-174.4	-173.8	178.8	85.4	0	0	110.1	K393 D448 A449 T545 T559	K393-E543 VanDerWaalsContact NZ-C 3.27Å; K393-E543 PolarHBondContact NZ-O 3.22Å; D448-E543 VanDerWaalsContact CA-O 3.32Å; D448-E543 WeakPolarHBondContact CA-O 3.29Å; A449-E543 PolarHBondContact N-O 3.15Å; A449-E543 PolarHBondContact O-N 2.84Å; E543-T545 PolarHBondContact OE1-OG1 2.77Å; E543-T559 HydrophobicContact CG-CG2 4.44Å
544	F	98.8	Very high	95.5	Very high	0 Å²	0	40 Å²	40	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	121	171.1	-177.2	-127.6	0	0	0	108.7	P391 K393 A423 F425 F446 K447 D448 F496 F524 V546 T559 N560	P391-F544 HydrophobicContact CB-CD1 3.64Å; P391-F544 HydrophobicContact CB-CE1 3.81Å; P391-F544 HydrophobicContact CG-CD1 4.41Å; K393-F544 HydrophobicContact CD-CB 4.02Å; A423-F544 HydrophobicContact CB-CB 4.23Å; A423-F544 HydrophobicContact CB-CD1 3.65Å; A423-F544 HydrophobicContact CB-CD2 3.87Å; A423-F544 HydrophobicContact CB-CE1 3.88Å; A423-F544 HydrophobicContact CB-CE2 4.06Å; A423-F544 HydrophobicContact CB-CG 3.66Å; A423-F544 HydrophobicContact CB-CZ 4.07Å; F425-F544 HydrophobicContact CB-CE1 4.42Å; F446-F544 HydrophobicContact CB-CE2 3.94Å; F446-F544 HydrophobicContact CB-CZ 4.13Å; F446-F544 HydrophobicContact CD1-CE2 4.43Å; F446-F544 AromaticContact CD1-CZ 3.77Å; F446-F544 HydrophobicContact CD1-CZ 3.77Å; F446-F544 HydrophobicContact CG-CZ 4.41Å; K447-F544 CarbonylContact O-C 3.58Å; K447-F544 WeakPolarHBondContact O-CA 3.38Å; K447-F544 WeakPolarHBondContact O-CD2 3.08Å; D448-F544 HydrophobicContact CB-CD2 4.02Å; F496-F544 HydrophobicContact CE2-CE2 4.22Å; F496-F544 HydrophobicContact CZ-CD2 4.49Å; F496-F544 HydrophobicContact CZ-CE2 4.18Å; F524-F544 HydrophobicContact CD2-CE2 4.47Å; F524-F544 HydrophobicContact CD2-CZ 4.08Å; F524-F544 HydrophobicContact CE2-CZ 4.19Å; F544-V546 HydrophobicContact CE1-CG2 3.88Å; F544-V546 HydrophobicContact CZ-CG2 4.02Å; F544-T559 WeakPolarHBondContact O-CA 3.48Å; F544-N560 WeakPolarHBondContact CA-OD1 3.46Å; F544-N560 WeakPolarHBondContact CB-OD1 3.38Å; F544-N560 PolarHBondContact N-OD1 2.83Å; F544-N560 PolarHBondContact O-N 2.81Å; F544-N560 VanDerWaalsContact O-N 3.1Å; F544-N560 PolarHBondContact O-OD1 2.79Å; F544-N560 VanDerWaalsContact O-OD1 3.09Å
545	T	98.8	Very high	95.5	Very high	17 Å²	17	43.2 Å²	43.2	10%	0.104	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	131.8	-177.4	-58	0	0	0	0	109.6	K447 E543 V557 K558 T559	K447-T545 PolarHBondContact N-O 3.4Å; K447-T545 PolarHBondContact O-N 2.89Å; E543-T545 PolarHBondContact OE1-OG1 2.77Å; T545-V557 HydrophobicContact CG2-CG1 3.54Å; T545-K558 CarbonylContact C-O 3.51Å; T545-K558 WeakPolarHBondContact CA-O 3.35Å; T545-T559 HydrophobicContact CG2-CG2 4.16Å
546	V	98.9	Very high	95.5	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	123.9	168.8	-176.4	0	0	0	0	108.9	P391 F425 L444 E445 F446 F544 M548 K558	P391-V546 HydrophobicContact CB-CG2 3.97Å; P391-V546 HydrophobicContact CG-CG2 4.13Å; F425-V546 HydrophobicContact CB-CG2 4.12Å; F425-V546 HydrophobicContact CD1-CG1 3.99Å; F425-V546 HydrophobicContact CD1-CG2 4.26Å; F425-V546 HydrophobicContact CD2-CB 4.36Å; F425-V546 HydrophobicContact CD2-CG1 4.46Å; F425-V546 HydrophobicContact CD2-CG2 3.94Å; F425-V546 HydrophobicContact CE1-CG1 3.74Å; F425-V546 HydrophobicContact CE2-CB 4.36Å; F425-V546 HydrophobicContact CE2-CG1 4.26Å; F425-V546 HydrophobicContact CE2-CG2 4.43Å; F425-V546 HydrophobicContact CG-CB 4.5Å; F425-V546 HydrophobicContact CG-CG1 4.33Å; F425-V546 HydrophobicContact CG-CG2 3.84Å; F425-V546 HydrophobicContact CZ-CB 4.49Å; F425-V546 HydrophobicContact CZ-CG1 3.9Å; L444-V546 HydrophobicContact CD1-CG1 3.99Å; E445-V546 CarbonylContact O-C 3.52Å; E445-V546 VanDerWaalsContact O-CA 3.28Å; E445-V546 WeakPolarHBondContact O-CA 3.38Å; F446-V546 HydrophobicContact CD1-CG1 4.38Å; F446-V546 HydrophobicContact CD1-CG2 3.89Å; F446-V546 HydrophobicContact CE1-CG1 4.32Å; F446-V546 HydrophobicContact CE1-CG2 4.27Å; F544-V546 HydrophobicContact CE1-CG2 3.88Å; F544-V546 HydrophobicContact CZ-CG2 4.02Å; V546-M548 HydrophobicContact CG1-CG 4.15Å; V546-M548 HydrophobicContact CG1-SD 4.45Å; V546-K558 PolarHBondContact N-O 2.82Å; V546-K558 PolarHBondContact O-N 2.94Å
547	T	98.7	Very high	95.6	Very high	15 Å²	15	48 Å²	48	9%	0.092	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	129.5	175.4	-55.9	0	0	0	0	110.6	K443 L444 E445 D555 D556 V557	K443-T547 HydrophobicContact CD-CG2 3.72Å; L444-T547 CarbonylContact C-O 3.54Å; L444-T547 WeakPolarHBondContact CA-O 3.39Å; E445-T547 PolarHBondContact N-O 3.14Å; E445-T547 PolarHBondContact O-N 3.47Å; T547-D555 HydrophobicContact CG2-CB 3.85Å; T547-D556 CarbonylContact C-O 3.58Å; T547-D556 WeakPolarHBondContact CA-O 3.39Å; T547-V557 HydrophobicContact CG2-CG2 3.92Å
548	M	97.6	Very high	95.8	Very high	11 Å²	11	48.5 Å²	48.5	5%	0.054	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	153.6	-178.2	-63.8	175.7	-69	0	0	111.1	F425 P428 Y441 K443 L444 V546 D555 D556 K558	F425-M548 HydrophobicContact CE1-SD 4.01Å; F425-M548 HydrophobicContact CZ-CE 3.79Å; F425-M548 HydrophobicContact CZ-SD 3.79Å; P428-M548 HydrophobicContact CG-SD 3.6Å; Y441-M548 HydrophobicContact CE1-CB 4.45Å; K443-M548 WeakPolarHBondContact O-CA 3.44Å; L444-M548 HydrophobicContact CD1-CG 3.84Å; L444-M548 HydrophobicContact CD1-SD 4.29Å; V546-M548 HydrophobicContact CG1-CG 4.15Å; V546-M548 HydrophobicContact CG1-SD 4.45Å; M548-D555 CarbonylContact O-C 3.55Å; M548-D555 WeakPolarHBondContact O-CA 3.24Å; M548-D556 PolarHBondContact N-O 2.81Å; M548-D556 PolarHBondContact O-N 3.01Å; M548-K558 HydrophobicContact CE-CD 4.25Å
549	N	96.8	Very high	95.9	Very high	19 Å²	19	48.1 Å²	48.1	10%	0.102	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	133.2	170	-170.6	-56.3	0	0	0	108.6	Y441 T442 K443 G553 D555	Y441-N549 CarbonylContact C-O 3.52Å; Y441-N549 WeakPolarHBondContact CA-O 3.35Å; T442-N549 PolarHBondContact N-O 3.38Å; T442-N549 PolarHBondContact OG1-O 3.21Å; T442-N549 PolarHBondContact OG1-OD1 3.04Å; K443-N549 HydrophobicContact CB-CB 3.75Å; K443-N549 PolarHBondContact N-O 3.41Å; K443-N549 PolarHBondContact O-N 3Å; K443-N549 VanDerWaalsContact O-N 3.14Å; N549-G553 PolarHBondContact ND2-O 3.29Å; N549-D555 PolarHBondContact ND2-OD1 3.12Å; N549-D555 VanDerWaalsContact ND2-OD1 3.13Å
550	H	93.6	Very high	96.1	Very high	38 Å²	38	45.9 Å²	45.9	18%	0.176	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	163.1	175.6	60.5	91.6	0	0	0	110.4	E240 R440 Y441 G552 G553	E240-H550 VanDerWaalsContact CG-CE1 3.47Å; E240-H550 WeakPolarHBondContact CG-CE1 3.41Å; E240-H550 IonicContact OE1-CE1 2.89Å; E240-H550 PolarHBondContact OE1-CE1 2.92Å; E240-H550 VanDerWaalsContact OE1-CE1 3.32Å; E240-H550 IonicContact OE1-NE2 3.57Å; R440-H550 VanDerWaalsContact O-CA 3.28Å; R440-H550 WeakPolarHBondContact O-CA 3.4Å; Y441-H550 HydrophobicContact CD1-CB 3.89Å; Y441-H550 HydrophobicContact CD2-CB 4.26Å; Y441-H550 HydrophobicContact CE1-CB 3.96Å; Y441-H550 AromaticContact CE1-CD2 3.86Å; Y441-H550 HydrophobicContact CE2-CB 4.34Å; Y441-H550 HydrophobicContact CG-CB 4.03Å; H550-G552 PolarHBondContact O-N 2.89Å; H550-G553 PolarHBondContact O-N 3.2Å
551	D	90.4	Very high	96	Very high	67 Å²	67	52.3 Å²	52.3	36%	0.358	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.9	21.2	171.6	-57.4	-43.3	0	0	0	115	N243 R440 G553	N243-D551 PolarHBondContact ND2-OD1 3.39Å; N243-D551 PolarHBondContact OD1-OD1 3.02Å; R440-D551 WeakPolarHBondContact CG-OD1 3.2Å; R440-D551 IonicContact CZ-OD1 2.71Å; R440-D551 IonicContact CZ-OD2 2.97Å; R440-D551 IonicContact NE-OD1 2.78Å; R440-D551 PolarHBondContact NE-OD1 2.72Å; R440-D551 IonicContact NE-OD2 3.83Å; R440-D551 PolarHBondContact NE-OD2 2.85Å; R440-D551 IonicContact NH2-OD1 2.55Å; R440-D551 IonicContact NH2-OD2 2.59Å; R440-D551 PolarHBondContact NH2-OD2 3.19Å; R440-D551 PolarHBondContact O-N 3.02Å; D551-G553 VanDerWaalsContact C-N 3.26Å; D551-G553 PolarHBondContact O-N 2.82Å
552	G	86.5	Confident	95.8	Very high	71 Å²	71	54.8 Å²	54.8	73%	0.732	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.7	19.9	-176.5	0	0	0	0	0	114.2	H550	H550-G552 PolarHBondContact O-N 2.89Å
553	G	89.7	Confident	95.5	Very high	36 Å²	36	56.4 Å²	56.4	37%	0.371	33%	0.328	S	S	.	.			trans	-74.8	-166.8	178.9	0	0	0	0	0	114.4	N549 H550 D551	N549-G553 PolarHBondContact ND2-O 3.29Å; H550-G553 PolarHBondContact O-N 3.2Å; D551-G553 VanDerWaalsContact C-N 3.26Å; D551-G553 PolarHBondContact O-N 2.82Å
554	Q	92.5	Very high	95.2	Very high	175 Å²	175	54 Å²	54	82%	0.818	32%	0.318	S	S	*	.	P	Polyproline II helix	trans	-83.9	163.9	168	-61.9	-58.2	-77.7	0	0	110.1	D556	Q554-D556 PolarHBondContact O-N 2.8Å
555	D	97	Very high	95.1	Very high	76 Å²	76	54.6 Å²	54.6	41%	0.406	32%	0.322	S	S	.	.	P	Polyproline II helix	trans	-64.6	127.8	173.1	-71.4	-11.7	0	0	0	110.2	K443 T547 M548 N549 V557	K443-D555 IonicContact NZ-OD1 2.8Å; K443-D555 PolarHBondContact NZ-OD1 3.3Å; K443-D555 IonicContact NZ-OD2 3.02Å; K443-D555 PolarHBondContact NZ-OD2 3.48Å; T547-D555 HydrophobicContact CG2-CB 3.85Å; M548-D555 CarbonylContact O-C 3.55Å; M548-D555 WeakPolarHBondContact O-CA 3.24Å; N549-D555 PolarHBondContact ND2-OD1 3.12Å; N549-D555 VanDerWaalsContact ND2-OD1 3.13Å; D555-V557 HydrophobicContact CB-CG2 4.36Å
556	D	94.4	Very high	95	Very high	71 Å²	71	53.8 Å²	53.8	38%	0.38	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	121.8	165.2	-179.2	26.6	0	0	0	108.2	T547 M548 Q554	T547-D556 CarbonylContact C-O 3.58Å; T547-D556 WeakPolarHBondContact CA-O 3.39Å; M548-D556 PolarHBondContact N-O 2.81Å; M548-D556 PolarHBondContact O-N 3.01Å; Q554-D556 PolarHBondContact O-N 2.8Å
557	V	98.2	Very high	94.9	Very high	83 Å²	83	53.9 Å²	53.9	50%	0.503	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	116.6	-173.6	-177.2	0	0	0	0	108.3	T545 T547 D555	T545-V557 HydrophobicContact CG2-CG1 3.54Å; T547-V557 HydrophobicContact CG2-CG2 3.92Å; D555-V557 HydrophobicContact CB-CG2 4.36Å
558	K	97.6	Very high	94.8	Very high	24 Å²	24	53.2 Å²	53.2	10%	0.104	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	140.7	177.6	-60.2	-172.4	169.3	-146.7	0	110.5	G388 E389 D390 P391 F425 T545 V546 M548	G388-K558 PolarHBondContact O-NZ 3.33Å; E389-K558 PolarHBondContact O-NZ 2.86Å; D390-K558 IonicContact OD1-NZ 3.11Å; P391-K558 HydrophobicContact CG-CB 4.37Å; F425-K558 HydrophobicContact CE2-CD 4.38Å; T545-K558 CarbonylContact C-O 3.51Å; T545-K558 WeakPolarHBondContact CA-O 3.35Å; V546-K558 PolarHBondContact N-O 2.82Å; V546-K558 PolarHBondContact O-N 2.94Å; M548-K558 HydrophobicContact CE-CD 4.25Å
559	T	98.2	Very high	94.6	Very high	59 Å²	59	52.7 Å²	52.7	36%	0.362	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	149.7	-179.3	57	0	0	0	0	109.7	E543 F544 T545	E543-T559 HydrophobicContact CG-CG2 4.44Å; F544-T559 WeakPolarHBondContact O-CA 3.48Å; T545-T559 HydrophobicContact CG2-CG2 4.16Å
560	N	98	Very high	94.6	Very high	10 Å²	10	51.8 Å²	51.8	5%	0.053	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-69.1	156	175.1	67.7	-79.6	0	0	0	111.6	P391 K393 F544	P391-N560 WeakPolarHBondContact O-CA 3.35Å; P391-N560 WeakPolarHBondContact O-CB 3.28Å; K393-N560 HydrophobicContact CB-CB 3.86Å; K393-N560 WeakPolarHBondContact CB-ND2 3.42Å; F544-N560 WeakPolarHBondContact CA-OD1 3.46Å; F544-N560 WeakPolarHBondContact CB-OD1 3.38Å; F544-N560 PolarHBondContact N-OD1 2.83Å; F544-N560 PolarHBondContact O-N 2.81Å; F544-N560 VanDerWaalsContact O-N 3.1Å; F544-N560 PolarHBondContact O-OD1 2.79Å; F544-N560 VanDerWaalsContact O-OD1 3.09Å
561	D	95.5	Very high	94.9	Very high	135 Å²	135	51.6 Å²	51.6	72%	0.722	31%	0.305	S	S	*	.	P	Polyproline II helix	trans	-60.9	143.2	167.7	-81.1	-27.3	0	0	0	110.7	I563	D561-I563 PolarHBondContact O-N 2.99Å
562	P	93.4	Very high	95.2	Very high	124 Å²	124	51.3 Å²	51.3	81%	0.805	30%	0.301	S	S	*	.	P	Polyproline II helix	trans	-55.7	133.1	176.8	-25.3	34.1	0	0	0	112.1
563	I	92.4	Very high	95.8	Very high	43 Å²	43	48 Å²	48	22%	0.221	27%	0.266	C	S	.	.			trans	-106.4	161.1	172	58	174.2	0	0	0	110.7	K393 Y421 D561	K393-I563 HydrophobicContact CB-CD1 4.42Å; K393-I563 HydrophobicContact CD-CD1 4.04Å; K393-I563 HydrophobicContact CG-CD1 3.87Å; K393-I563 WeakPolarHBondContact O-CG2 3.38Å; Y421-I563 HydrophobicContact CD1-CD1 4.19Å; Y421-I563 HydrophobicContact CE1-CD1 3.71Å; D561-I563 PolarHBondContact O-N 2.99Å
564	D	92.8	Very high	96.2	Very high	59 Å²	59	47.5 Å²	47.5	32%	0.316	25%	0.253	S	S	.	.	P	Polyproline II helix	trans	-56	130	175.6	-71.9	-20.4	0	0	0	110.1	Y411	Y411-D564 HydrophobicContact CD2-CB 3.99Å; Y411-D564 HydrophobicContact CE2-CB 3.66Å
565	P	95.8	Very high	96.5	Very high	14 Å²	14	39.1 Å²	39.1	9%	0.091	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-66.8	164.3	-177.1	26.2	-36.4	0	0	0	112.7	G409 A410 Y411 D539 I540	G409-P565 WeakPolarHBondContact O-CD 3.46Å; A410-P565 CarbonylContact C-O 3.55Å; A410-P565 VanDerWaalsContact CA-O 3.28Å; A410-P565 WeakPolarHBondContact CA-O 3.3Å; A410-P565 HydrophobicContact CB-CG 4Å; Y411-P565 PolarHBondContact N-O 3.27Å; D539-P565 HydrophobicContact CB-CB 3.78Å; D539-P565 HydrophobicContact CB-CG 3.72Å; I540-P565 WeakPolarHBondContact O-CA 3.43Å; I540-P565 WeakPolarHBondContact O-CB 3.42Å
566	I	96.9	Very high	96.4	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	149	166.2	62.8	177.7	0	0	0	109.9	L395 Y411 F413 I419 Y421 V528 F530 I540	L395-I566 HydrophobicContact CD1-CG2 3.7Å; L395-I566 HydrophobicContact CD2-CG2 4.04Å; L395-I566 HydrophobicContact CG-CG2 4.49Å; Y411-I566 CarbonylContact O-C 3.58Å; Y411-I566 VanDerWaalsContact O-CA 3.28Å; Y411-I566 WeakPolarHBondContact O-CA 2.99Å; F413-I566 HydrophobicContact CD2-CB 4.26Å; F413-I566 HydrophobicContact CD2-CG2 4.24Å; F413-I566 HydrophobicContact CE2-CB 4.34Å; F413-I566 HydrophobicContact CE2-CG2 3.83Å; I419-I566 HydrophobicContact CD1-CD1 3.8Å; I419-I566 HydrophobicContact CG2-CD1 4.29Å; I419-I566 HydrophobicContact CG2-CG2 4.12Å; Y421-I566 HydrophobicContact CE2-CD1 4.48Å; Y421-I566 WeakPolarHBondContact OH-CG2 3.4Å; V528-I566 HydrophobicContact CG2-CD1 4.26Å; F530-I566 HydrophobicContact CE1-CB 4.43Å; F530-I566 HydrophobicContact CE1-CD1 3.41Å; F530-I566 VanDerWaalsContact CE1-CD1 3.41Å; F530-I566 HydrophobicContact CE1-CG1 3.73Å; F530-I566 HydrophobicContact CZ-CB 3.79Å; F530-I566 HydrophobicContact CZ-CD1 3.66Å; F530-I566 HydrophobicContact CZ-CG1 3.59Å; I540-I566 HydrophobicContact CB-CG1 3.85Å; I540-I566 WeakPolarHBondContact CB-O 3.29Å; I540-I566 HydrophobicContact CG2-CD1 4.48Å; I540-I566 HydrophobicContact CG2-CG1 4.15Å; I540-I566 PolarHBondContact N-O 2.91Å; I540-I566 PolarHBondContact O-N 3.18Å
567	I	96.4	Very high	96.4	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.005	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	154.7	-176.1	-170.4	156.4	0	0	0	111.2	A410 Y411 D412 F413 F530 D539 Y641	A410-I567 HydrophobicContact CB-CB 4.34Å; A410-I567 HydrophobicContact CB-CG2 3.72Å; Y411-I567 PolarHBondContact O-N 2.94Å; D412-I567 CarbonylContact C-O 3.37Å; D412-I567 WeakPolarHBondContact CA-O 3.43Å; D412-I567 HydrophobicContact CB-CG2 3.96Å; F413-I567 PolarHBondContact N-O 2.64Å; F530-I567 VanDerWaalsContact CE2-O 3.31Å; F530-I567 WeakPolarHBondContact CE2-O 3.5Å; D539-I567 WeakPolarHBondContact OD1-CD1 3.1Å; I567-Y641 WeakPolarHBondContact CD1-OH 3.26Å; I567-Y641 HydrophobicContact CG2-CE2 4.31Å
568	T	96	Very high	95.9	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.006	20%	0.2	C	C	.	.			trans	-125.7	141.8	167.6	-158.7	0	0	0	0	110.1	F413 F530 T534 D537 G638 L639	F413-T568 WeakPolarHBondContact O-CB 3.39Å; F413-T568 PolarHBondContact O-OG1 2.93Å; F530-T568 HydrophobicContact CD2-CG2 4.4Å; T534-T568 HydrophobicContact CG2-CG2 4.04Å; D537-T568 PolarHBondContact N-O 3.21Å; T568-G638 WeakPolarHBondContact OG1-CA 3.19Å; T568-L639 PolarHBondContact OG1-N 3.3Å
569	G	95.2	Very high	95.2	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	173	-173.1	0	0	0	0	0	113.4	T637 G638 L639	G569-T637 CarbonylContact O-C 3.52Å; G569-G638 PolarHBondContact O-N 3.07Å; G569-L639 WeakPolarHBondContact CA-O 3.49Å; G569-L639 PolarHBondContact N-O 3.27Å; G569-L639 PolarHBondContact O-N 3.42Å; G569-L639 VanDerWaalsContact O-N 3.12Å
570	G	96.8	Very high	94.5	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.2	177.3	173.6	0	0	0	0	0	112.4	V636 S670 Y671	G570-V636 CarbonylContact C-O 3.59Å; G570-V636 WeakPolarHBondContact CA-O 3.42Å; G570-S670 CarbonylContact O-C 3.54Å; G570-S670 WeakPolarHBondContact O-CB 3.42Å; G570-S670 PolarHBondContact O-OG 2.56Å; G570-Y671 WeakPolarHBondContact O-CB 3.36Å; G570-Y671 PolarHBondContact O-N 2.76Å
571	K	98.2	Very high	93.9	Very high	35 Å²	35	48.1 Å²	48.1	15%	0.152	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	143.5	175.1	-154.7	175	-164.7	85.1	0	111.4	F573 E635 V636 F664 E665	K571-F573 HydrophobicContact CB-CE2 4.02Å; K571-F573 HydrophobicContact CB-CZ 3.83Å; K571-F573 HydrophobicContact CD-CE1 4.04Å; K571-F573 HydrophobicContact CD-CZ 4.01Å; K571-F573 HydrophobicContact CG-CE1 4.39Å; K571-F573 HydrophobicContact CG-CZ 4.14Å; K571-F573 WeakPolarHBondContact O-CE2 3.24Å; K571-E635 VanDerWaalsContact O-CA 3.3Å; K571-E635 WeakPolarHBondContact O-CA 3.33Å; K571-E635 WeakPolarHBondContact O-CB 3.18Å; K571-V636 PolarHBondContact N-O 3.33Å; K571-V636 PolarHBondContact O-N 3.23Å; K571-F664 HydrophobicContact CB-CD2 4.22Å; K571-F664 HydrophobicContact CB-CE2 4.39Å; K571-F664 HydrophobicContact CD-CB 3.68Å; K571-F664 HydrophobicContact CD-CD2 3.47Å; K571-F664 VanDerWaalsContact CD-CD2 3.47Å; K571-F664 HydrophobicContact CD-CE2 4.4Å; K571-F664 HydrophobicContact CD-CG 3.93Å; K571-F664 HydrophobicContact CG-CD2 4.49Å; K571-E665 PolarHBondContact NZ-O 3.42Å
572	K	98.4	Very high	93.6	Very high	61 Å²	61	49.4 Å²	49.4	27%	0.265	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	144.1	175.2	-68.7	168.4	-179.3	144.7	0	110.1	E635 Y671 A676 L677	K572-E635 HydrophobicContact CG-CB 4.15Å; K572-Y671 HydrophobicContact CD-CD2 4.42Å; K572-Y671 HydrophobicContact CD-CE2 4.29Å; K572-Y671 VanDerWaalsContact CE-CE2 3.48Å; K572-Y671 HydrophobicContact CG-CD2 3.93Å; K572-Y671 HydrophobicContact CG-CE2 3.8Å; K572-Y671 PolarHBondContact NZ-O 2.79Å; K572-A676 HydrophobicContact CB-CB 3.8Å; K572-A676 CarbonylContact O-C 3.51Å; K572-A676 WeakPolarHBondContact O-CA 3.47Å; K572-L677 PolarHBondContact O-N 2.86Å
573	F	98.6	Very high	93.7	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	153.8	-178.7	-56.3	-84.9	0	0	0	111.5	K571 F634 V636 L646 F664 L677 I679	K571-F573 HydrophobicContact CB-CE2 4.02Å; K571-F573 HydrophobicContact CB-CZ 3.83Å; K571-F573 HydrophobicContact CD-CE1 4.04Å; K571-F573 HydrophobicContact CD-CZ 4.01Å; K571-F573 HydrophobicContact CG-CE1 4.39Å; K571-F573 HydrophobicContact CG-CZ 4.14Å; K571-F573 WeakPolarHBondContact O-CE2 3.24Å; F573-F634 HydrophobicContact CB-CD1 3.91Å; F573-F634 HydrophobicContact CB-CD2 4.03Å; F573-F634 HydrophobicContact CB-CE1 3.47Å; F573-F634 VanDerWaalsContact CB-CE1 3.47Å; F573-F634 HydrophobicContact CB-CE2 3.62Å; F573-F634 HydrophobicContact CB-CG 4.18Å; F573-F634 HydrophobicContact CB-CZ 3.33Å; F573-F634 HydrophobicContact CD1-CZ 4.46Å; F573-F634 AromaticContact CD2-CD2 3.79Å; F573-F634 HydrophobicContact CD2-CD2 3.79Å; F573-F634 AromaticContact CD2-CE2 3.48Å; F573-F634 HydrophobicContact CD2-CE2 3.48Å; F573-F634 VanDerWaalsContact CD2-CE2 3.48Å; F573-F634 HydrophobicContact CD2-CZ 4.08Å; F573-F634 HydrophobicContact CE2-CE2 4.3Å; F573-F634 HydrophobicContact CG-CD2 4.22Å; F573-F634 HydrophobicContact CG-CE1 4.36Å; F573-F634 AromaticContact CG-CE2 3.63Å; F573-F634 HydrophobicContact CG-CE2 3.63Å; F573-F634 AromaticContact CG-CZ 3.72Å; F573-F634 HydrophobicContact CG-CZ 3.72Å; F573-F634 PolarHBondContact N-O 3.3Å; F573-F634 PolarHBondContact O-N 3.04Å; F573-V636 HydrophobicContact CD2-CG2 4.48Å; F573-V636 HydrophobicContact CE2-CB 4.03Å; F573-V636 HydrophobicContact CE2-CG2 3.7Å; F573-V636 HydrophobicContact CZ-CG2 4.48Å; F573-L646 HydrophobicContact CD1-CD1 3.45Å; F573-L646 VanDerWaalsContact CD1-CD1 3.45Å; F573-L646 HydrophobicContact CD2-CD1 4.17Å; F573-L646 HydrophobicContact CE1-CD1 3.36Å; F573-L646 HydrophobicContact CE1-CG 4.16Å; F573-L646 HydrophobicContact CE2-CD1 4.11Å; F573-L646 HydrophobicContact CG-CD1 3.86Å; F573-L646 HydrophobicContact CZ-CD1 3.71Å; F573-L646 HydrophobicContact CZ-CG 4.21Å; F573-F664 HydrophobicContact CE1-CB 4.15Å; F573-F664 HydrophobicContact CE1-CD1 4.03Å; F573-F664 HydrophobicContact CE1-CD2 4.27Å; F573-F664 HydrophobicContact CE1-CE1 4.48Å; F573-F664 AromaticContact CE1-CG 3.89Å; F573-F664 HydrophobicContact CE1-CG 3.89Å; F573-F664 AromaticContact CZ-CD1 3.94Å; F573-F664 HydrophobicContact CZ-CD1 3.94Å; F573-F664 AromaticContact CZ-CD2 3.79Å; F573-F664 HydrophobicContact CZ-CD2 3.79Å; F573-F664 AromaticContact CZ-CE1 4Å; F573-F664 HydrophobicContact CZ-CE1 4Å; F573-F664 AromaticContact CZ-CE2 3.81Å; F573-F664 HydrophobicContact CZ-CE2 3.81Å; F573-F664 AromaticContact CZ-CG 3.81Å; F573-F664 HydrophobicContact CZ-CG 3.81Å; F573-F664 AromaticContact CZ-CZ 3.9Å; F573-F664 HydrophobicContact CZ-CZ 3.9Å; F573-L677 WeakPolarHBondContact CA-O 3.41Å; F573-L677 HydrophobicContact CD1-CB 3.9Å; F573-L677 HydrophobicContact CD1-CD2 4Å; F573-L677 HydrophobicContact CD1-CG 4.42Å; F573-L677 HydrophobicContact CE1-CB 4.33Å; F573-L677 HydrophobicContact CE1-CD2 3.84Å; F573-I679 HydrophobicContact CB-CD1 4.18Å; F573-I679 HydrophobicContact CD1-CD1 3.89Å; F573-I679 HydrophobicContact CG-CD1 4.35Å
574	F	97.8	Very high	93.9	Very high	26 Å²	26	43.1 Å²	43.1	11%	0.114	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	101.9	178.6	179.4	-126.2	0	0	0	111	H576 T581 A631 G632 R633 A676 L677 P678 I679	F574-H576 HydrophobicContact CD1-CB 4.29Å; F574-H576 AromaticContact CD1-CD2 3.78Å; F574-H576 HydrophobicContact CE1-CB 3.7Å; F574-H576 AromaticContact CE1-CD2 3.9Å; F574-H576 AromaticContact CE1-CG 3.97Å; F574-H576 HydrophobicContact CZ-CB 3.88Å; F574-H576 PolarHBondContact O-CD2 2.83Å; F574-T581 WeakPolarHBondContact CZ-O 3.37Å; F574-A631 VanDerWaalsContact CE2-O 3.32Å; F574-A631 WeakPolarHBondContact CE2-O 3.35Å; F574-G632 CarbonylContact C-O 3.49Å; F574-G632 WeakPolarHBondContact CA-O 3.38Å; F574-R633 VanDerWaalsContact CD2-CZ 3.42Å; F574-A676 HydrophobicContact CB-CB 4.09Å; F574-L677 PolarHBondContact N-O 3.17Å; F574-P678 CarbonylContact O-C 3.52Å; F574-P678 WeakPolarHBondContact O-CA 3.37Å; F574-I679 PolarHBondContact O-N 2.9Å
575	K	97.8	Very high	94.1	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	121.6	174.2	-169.6	77.2	-159.1	71.8	0	110.3	G583 L584 A587 F589 G632 F634 P652 I679 N681	K575-G583 CarbonylContact O-C 3.59Å; K575-G583 WeakPolarHBondContact O-CA 3.39Å; K575-L584 HydrophobicContact CG-CB 4.02Å; K575-L584 PolarHBondContact O-N 2.82Å; K575-A587 HydrophobicContact CD-CB 3.72Å; K575-A587 HydrophobicContact CG-CB 3.86Å; K575-F589 HydrophobicContact CD-CE2 3.9Å; K575-F589 HydrophobicContact CD-CZ 3.83Å; K575-G632 WeakPolarHBondContact CB-O 3.4Å; K575-G632 PolarHBondContact N-O 2.8Å; K575-F634 HydrophobicContact CB-CE1 4.43Å; K575-P652 HydrophobicContact CG-CG 4.27Å; K575-I679 WeakPolarHBondContact CA-O 3.28Å; K575-I679 HydrophobicContact CD-CB 4.27Å; K575-I679 HydrophobicContact CD-CG2 4.08Å; K575-I679 PolarHBondContact NZ-O 3.45Å; K575-N681 WeakPolarHBondContact CE-OD1 3.27Å; K575-N681 PolarHBondContact NZ-OD1 3.06Å
576	H	96.2	Very high	94.2	Very high	25 Å²	25	43.3 Å²	43.3	12%	0.116	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	172.3	177	66.7	94	0	0	0	112.4	F574 E580 K582 L584 P678 I679 A680 N681	F574-H576 HydrophobicContact CD1-CB 4.29Å; F574-H576 AromaticContact CD1-CD2 3.78Å; F574-H576 HydrophobicContact CE1-CB 3.7Å; F574-H576 AromaticContact CE1-CD2 3.9Å; F574-H576 AromaticContact CE1-CG 3.97Å; F574-H576 HydrophobicContact CZ-CB 3.88Å; F574-H576 PolarHBondContact O-CD2 2.83Å; H576-E580 PolarHBondContact ND1-O 3.3Å; H576-E580 VanDerWaalsContact ND1-O 3.14Å; H576-K582 WeakPolarHBondContact CB-O 3.31Å; H576-L584 VanDerWaalsContact C-CD1 3.42Å; H576-L584 WeakPolarHBondContact O-CD1 3.34Å; H576-P678 WeakPolarHBondContact NE2-CB 3.19Å; H576-I679 PolarHBondContact N-O 2.85Å; H576-A680 WeakPolarHBondContact O-CA 3.38Å; H576-N681 PolarHBondContact O-N 2.84Å
577	E	93.1	Very high	94.3	Very high	64 Å²	64	43.3 Å²	43.3	30%	0.299	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	141.9	168.6	171.1	160.9	-152.3	0	0	109.7	G579 E580 L584 F655	E577-G579 PolarHBondContact O-N 3.46Å; E577-E580 HydrophobicContact CB-CB 4.02Å; E577-E580 HydrophobicContact CB-CG 4.31Å; E577-E580 HydrophobicContact CG-CB 4.31Å; E577-E580 HydrophobicContact CG-CG 4.08Å; E577-E580 PolarHBondContact O-N 2.99Å; E577-L584 HydrophobicContact CB-CD1 4.15Å; E577-L584 HydrophobicContact CB-CD2 4.35Å; E577-L584 HydrophobicContact CB-CG 4.46Å; E577-F655 HydrophobicContact CB-CE1 3.67Å; E577-F655 HydrophobicContact CB-CZ 3.99Å; E577-F655 HydrophobicContact CG-CE1 3.67Å; E577-F655 HydrophobicContact CG-CZ 4.21Å
578	D	88.4	Confident	94.4	Very high	107 Å²	107	45.2 Å²	45.2	57%	0.572	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	129.1	177.2	-173.3	26.8	0	0	0	111.8	E580 A680 N681	D578-E580 VanDerWaalsContact C-N 3.26Å; D578-E580 PolarHBondContact O-N 2.88Å; D578-A680 HydrophobicContact CB-CB 4.15Å; D578-N681 PolarHBondContact N-O 2.83Å; D578-N681 VanDerWaalsContact N-O 3.12Å
579	G	83.2	Confident	94.5	Very high	74 Å²	74	45.1 Å²	45.1	76%	0.763	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.2	-4.2	-174.6	0	0	0	0	0	116.4	E577	E577-G579 PolarHBondContact O-N 3.46Å
580	E	83.2	Confident	94.7	Very high	111 Å²	111	45.1 Å²	45.1	52%	0.519	26%	0.259	S	S	.	.			trans	-115.9	149.9	-175.9	-68.2	-67	161.4	0	0	112.4	H576 E577 D578	H576-E580 PolarHBondContact ND1-O 3.3Å; H576-E580 VanDerWaalsContact ND1-O 3.14Å; E577-E580 HydrophobicContact CB-CB 4.02Å; E577-E580 HydrophobicContact CB-CG 4.31Å; E577-E580 HydrophobicContact CG-CB 4.31Å; E577-E580 HydrophobicContact CG-CG 4.08Å; E577-E580 PolarHBondContact O-N 2.99Å; D578-E580 VanDerWaalsContact C-N 3.26Å; D578-E580 PolarHBondContact O-N 2.88Å
581	T	84.9	Confident	94.8	Very high	130 Å²	130	45.1 Å²	45.1	80%	0.798	26%	0.259	S	S	*	.			trans	-95	1.6	179.9	64.4	0	0	0	0	113.5	F574	F574-T581 WeakPolarHBondContact CZ-O 3.37Å
582	K	90.1	Very high	94.8	Very high	162 Å²	162	43.5 Å²	43.5	70%	0.704	25%	0.251	S	S	*	.	S	Bend	trans	-89.3	133.2	-178.5	-172.8	-177.7	174.9	-173.9	0	110.4	H576	H576-K582 WeakPolarHBondContact CB-O 3.31Å
583	G	95.4	Very high	94.8	Very high	12 Å²	12	43.6 Å²	43.6	12%	0.124	25%	0.25	C	S	.	.	B	Isolated β-bridge	trans	-66.6	147.1	176.5	0	0	0	0	0	113.7	K575 A631	K575-G583 CarbonylContact O-C 3.59Å; K575-G583 WeakPolarHBondContact O-CA 3.39Å; G583-A631 WeakPolarHBondContact CA-O 3.24Å
584	L	96.6	Very high	94.7	Very high	23 Å²	23	49.3 Å²	49.3	12%	0.12	28%	0.277	C	S	.	.			trans	-109.3	125	174.3	-60.8	179.7	0	0	0	110.1	K575 H576 E577 S628 G632 P652 F655	K575-L584 HydrophobicContact CG-CB 4.02Å; K575-L584 PolarHBondContact O-N 2.82Å; H576-L584 VanDerWaalsContact C-CD1 3.42Å; H576-L584 WeakPolarHBondContact O-CD1 3.34Å; E577-L584 HydrophobicContact CB-CD1 4.15Å; E577-L584 HydrophobicContact CB-CD2 4.35Å; E577-L584 HydrophobicContact CB-CG 4.46Å; L584-S628 WeakPolarHBondContact O-CB 3.32Å; L584-S628 PolarHBondContact O-OG 2.85Å; L584-G632 WeakPolarHBondContact O-CA 3.28Å; L584-P652 HydrophobicContact CB-CB 4.04Å; L584-P652 HydrophobicContact CB-CG 3.81Å; L584-P652 HydrophobicContact CD1-CB 4.35Å; L584-P652 HydrophobicContact CD1-CG 4.07Å; L584-F655 HydrophobicContact CD1-CD1 3.74Å; L584-F655 HydrophobicContact CD1-CD2 3.9Å; L584-F655 HydrophobicContact CD1-CE1 3.6Å; L584-F655 HydrophobicContact CD1-CE2 3.76Å; L584-F655 HydrophobicContact CD1-CG 3.9Å; L584-F655 HydrophobicContact CD1-CZ 3.61Å; L584-F655 HydrophobicContact CD2-CD2 4.37Å; L584-F655 HydrophobicContact CD2-CE1 4.29Å; L584-F655 HydrophobicContact CD2-CE2 3.53Å; L584-F655 HydrophobicContact CD2-CZ 3.48Å; L584-F655 VanDerWaalsContact CD2-CZ 3.48Å; L584-F655 HydrophobicContact CG-CE2 4.26Å; L584-F655 HydrophobicContact CG-CZ 4.2Å
585	A	97.4	Very high	94.6	Very high	50 Å²	50	50.8 Å²	50.8	41%	0.413	29%	0.288	S	S	.	.			trans	-86.9	149.3	178	0	0	0	0	0	112.6	D629	A585-D629 WeakPolarHBondContact CA-O 3.48Å; A585-D629 WeakPolarHBondContact CB-O 3.5Å
586	G	97.6	Very high	94.4	Very high	27 Å²	27	58.5 Å²	58.5	28%	0.278	33%	0.329	S	S	.	.			trans	83.2	10.8	167.6	0	0	0	0	0	115.9	S628	G586-S628 PolarHBondContact N-O 2.81Å; G586-S628 PolarHBondContact N-OG 2.87Å
587	A	98.2	Very high	94.2	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	35%	0.353	C	S	.	.			trans	-63.7	134.2	158.1	0	0	0	0	0	109	K575 F589 I627 S628 K650 P652	K575-A587 HydrophobicContact CD-CB 3.72Å; K575-A587 HydrophobicContact CG-CB 3.86Å; A587-F589 HydrophobicContact CB-CD2 4.29Å; A587-F589 HydrophobicContact CB-CE2 3.57Å; A587-F589 HydrophobicContact CB-CZ 4.24Å; A587-I627 WeakPolarHBondContact O-CA 3.3Å; A587-S628 WeakPolarHBondContact CA-OG 3.37Å; A587-S628 VanDerWaalsContact CB-OG 3.28Å; A587-S628 WeakPolarHBondContact CB-OG 3.1Å; A587-S628 PolarHBondContact N-OG 2.79Å; A587-S628 PolarHBondContact O-N 2.92Å; A587-S628 PolarHBondContact O-OG 2.86Å; A587-K650 WeakPolarHBondContact CA-O 3.34Å; A587-P652 HydrophobicContact CB-CG 3.75Å
588	E	98.6	Very high	94.4	Very high	41 Å²	41	60.4 Å²	60.4	19%	0.192	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	127.1	175.8	-55.7	174.8	-164.3	0	0	108.8	I627 I649 K650	E588-I627 HydrophobicContact CG-CD1 4.21Å; E588-I627 HydrophobicContact CG-CG1 4.05Å; E588-I627 HydrophobicContact CG-CG2 4.33Å; E588-I649 HydrophobicContact CB-CD1 4.08Å; E588-I649 HydrophobicContact CB-CG1 3.78Å; E588-I649 WeakPolarHBondContact O-CG1 3.31Å; E588-I649 PolarHBondContact O-N 2.6Å; E588-K650 HydrophobicContact CB-CB 4.04Å; E588-K650 HydrophobicContact CG-CB 4.19Å; E588-K650 HydrophobicContact CG-CD 3.98Å; E588-K650 PolarHBondContact N-O 2.99Å; E588-K650 PolarHBondContact O-N 3.07Å; E588-K650 WeakPolarHBondContact OE1-CD 3.25Å; E588-K650 IonicContact OE1-NZ 2.64Å; E588-K650 PolarHBondContact OE1-NZ 3.43Å
589	F	98.8	Very high	94.9	Very high	0 Å²	0	58 Å²	58	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	154.2	177.4	-65.3	-90.7	0	0	0	111.4	K575 A587 K625 F626 F634 L646 R647 E648 L658 I679	K575-F589 HydrophobicContact CD-CE2 3.9Å; K575-F589 HydrophobicContact CD-CZ 3.83Å; A587-F589 HydrophobicContact CB-CD2 4.29Å; A587-F589 HydrophobicContact CB-CE2 3.57Å; A587-F589 HydrophobicContact CB-CZ 4.24Å; F589-K625 WeakPolarHBondContact O-CA 3.29Å; F589-F626 PolarHBondContact N-O 3.1Å; F589-F626 PolarHBondContact O-N 3.37Å; F589-F634 AromaticContact CD2-CE1 3.99Å; F589-F634 HydrophobicContact CD2-CE1 3.99Å; F589-F634 HydrophobicContact CD2-CE2 4.03Å; F589-F634 AromaticContact CD2-CZ 3.5Å; F589-F634 HydrophobicContact CD2-CZ 3.5Å; F589-F634 VanDerWaalsContact CD2-CZ 3.5Å; F589-F634 AromaticContact CE2-CE1 3.85Å; F589-F634 HydrophobicContact CE2-CE1 3.85Å; F589-F634 AromaticContact CE2-CZ 3.67Å; F589-F634 HydrophobicContact CE2-CZ 3.67Å; F589-F634 HydrophobicContact CG-CE2 4.47Å; F589-F634 HydrophobicContact CG-CZ 4.18Å; F589-F634 HydrophobicContact CZ-CZ 4.47Å; F589-L646 HydrophobicContact CB-CB 4.46Å; F589-L646 HydrophobicContact CB-CD2 4.07Å; F589-L646 HydrophobicContact CD1-CB 3.76Å; F589-L646 HydrophobicContact CD1-CD1 4.49Å; F589-L646 HydrophobicContact CE1-CB 4.39Å; F589-L646 HydrophobicContact CG-CB 4.36Å; F589-R647 WeakPolarHBondContact CA-O 3.31Å; F589-E648 HydrophobicContact CD1-CB 3.86Å; F589-E648 HydrophobicContact CD1-CG 4.26Å; F589-E648 HydrophobicContact CE1-CB 3.54Å; F589-E648 HydrophobicContact CE1-CG 3.84Å; F589-E648 HydrophobicContact CZ-CB 4.23Å; F589-E648 HydrophobicContact CZ-CG 4.02Å; F589-L658 HydrophobicContact CE1-CD1 4.19Å; F589-I679 HydrophobicContact CE1-CG2 4.4Å; F589-I679 HydrophobicContact CZ-CD1 4.3Å; F589-I679 HydrophobicContact CZ-CG2 3.98Å
590	V	98.7	Very high	95.6	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	147.5	161.2	-60.8	0	0	0	0	108.7	I592 Y620 A623 K625 R647 I649	V590-I592 HydrophobicContact CG2-CD1 3.87Å; V590-I592 HydrophobicContact CG2-CG1 4.29Å; V590-Y620 HydrophobicContact CG1-CD1 4.35Å; V590-Y620 HydrophobicContact CG1-CG 4.37Å; V590-Y620 HydrophobicContact CG2-CD1 3.99Å; V590-Y620 HydrophobicContact CG2-CE1 4.04Å; V590-Y620 HydrophobicContact CG2-CG 4.45Å; V590-A623 HydrophobicContact CB-CB 4.32Å; V590-A623 HydrophobicContact CG1-CB 3.68Å; V590-K625 HydrophobicContact CG1-CD 3.81Å; V590-R647 HydrophobicContact CG2-CB 3.85Å; V590-R647 HydrophobicContact CG2-CG 4.47Å; V590-R647 PolarHBondContact N-O 2.97Å; V590-R647 PolarHBondContact O-N 2.98Å; V590-I649 HydrophobicContact CG1-CD1 4.18Å; V590-I649 HydrophobicContact CG1-CG2 4.06Å; V590-I649 HydrophobicContact CG2-CG2 4.11Å
591	V	98.8	Very high	96.3	Very high	0 Å²	0	51 Å²	51	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	129.7	173.1	-177.8	0	0	0	0	108.5	Y601 L602 W611 F626 V636 L639 Y644 M645 L646 F664	V591-Y601 WeakPolarHBondContact O-CA 3.35Å; V591-L602 HydrophobicContact CB-CB 4.05Å; V591-L602 HydrophobicContact CB-CD2 4.2Å; V591-L602 HydrophobicContact CG2-CD2 4.42Å; V591-L602 PolarHBondContact O-N 2.94Å; V591-W611 HydrophobicContact CG1-CH2 3.82Å; V591-W611 HydrophobicContact CG1-CZ3 4.37Å; V591-F626 HydrophobicContact CB-CE2 4.42Å; V591-F626 HydrophobicContact CG2-CD2 3.83Å; V591-F626 HydrophobicContact CG2-CE2 3.56Å; V591-F626 HydrophobicContact CG2-CZ 4.15Å; V591-V636 HydrophobicContact CG2-CB 4.41Å; V591-V636 HydrophobicContact CG2-CG1 3.97Å; V591-V636 HydrophobicContact CG2-CG2 3.51Å; V591-L639 HydrophobicContact CG1-CD1 4.42Å; V591-Y644 HydrophobicContact CG1-CD1 4.15Å; V591-M645 CarbonylContact C-O 3.56Å; V591-M645 WeakPolarHBondContact CA-O 3.48Å; V591-L646 HydrophobicContact CG2-CD2 3.83Å; V591-F664 HydrophobicContact CG1-CE1 4.39Å; V591-F664 HydrophobicContact CG1-CZ 4Å
592	I	98.7	Very high	97	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	142.7	176.3	-52.4	-61.7	0	0	0	108.8	V590 E599 Q600 V614 Y620 Y644 M645 R647	V590-I592 HydrophobicContact CG2-CD1 3.87Å; V590-I592 HydrophobicContact CG2-CG1 4.29Å; I592-E599 HydrophobicContact CG2-CB 3.82Å; I592-E599 HydrophobicContact CG2-CG 4.03Å; I592-Q600 CarbonylContact C-O 3.55Å; I592-Q600 VanDerWaalsContact CA-O 3.24Å; I592-Q600 WeakPolarHBondContact CA-O 3.45Å; I592-V614 HydrophobicContact CD1-CG2 4.08Å; I592-Y620 HydrophobicContact CD1-CE1 3.97Å; I592-Y644 CarbonylContact O-C 3.57Å; I592-Y644 WeakPolarHBondContact O-CA 3.44Å; I592-M645 HydrophobicContact CB-CB 4.19Å; I592-M645 HydrophobicContact CB-CE 4.25Å; I592-M645 HydrophobicContact CG2-CE 3.73Å; I592-M645 PolarHBondContact N-O 3.18Å; I592-M645 PolarHBondContact O-N 2.68Å; I592-R647 HydrophobicContact CG1-CB 4.07Å
593	R	98	Very high	97.3	Very high	64 Å²	64	38.6 Å²	38.6	24%	0.242	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	153.7	161.8	73.1	-178.8	-177.3	-174	0	109.4	V595 E599 Q600 W611 Y644	R593-V595 HydrophobicContact CG-CG2 4.14Å; R593-E599 CarbonylContact O-C 3.47Å; R593-E599 WeakPolarHBondContact O-CA 3.32Å; R593-Q600 HydrophobicContact CG-CB 4.28Å; R593-Q600 PolarHBondContact N-O 2.79Å; R593-Q600 VanDerWaalsContact NE-OE1 3.12Å; R593-Q600 PolarHBondContact O-N 2.83Å; R593-W611 HydrophobicContact CB-CE3 4.36Å; R593-W611 HydrophobicContact CB-CH2 4Å; R593-W611 HydrophobicContact CB-CZ3 3.86Å; R593-W611 HydrophobicContact CG-CD2 4Å; R593-W611 HydrophobicContact CG-CE3 3.59Å; R593-W611 HydrophobicContact CG-CH2 4.02Å; R593-W611 HydrophobicContact CG-CZ2 4.41Å; R593-W611 HydrophobicContact CG-CZ3 3.61Å; R593-W611 VanDerWaalsContact NH1-CD1 3.34Å; R593-W611 VanDerWaalsContact NH2-CD1 3.3Å; R593-W611 VanDerWaalsContact NH2-CG 3.29Å; R593-Y644 HydrophobicContact CB-CD1 3.86Å; R593-Y644 HydrophobicContact CB-CE1 4.09Å
594	E	97.3	Very high	97.3	Very high	120 Å²	120	40 Å²	40	56%	0.561	24%	0.235	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-109	121.2	173.6	-168.7	-179.1	147.6	0	0	110.1	G597	E594-G597 VanDerWaalsContact OE1-CA 3.29Å; E594-G597 WeakPolarHBondContact OE1-CA 3.31Å
595	V	95	Very high	96.9	Very high	57 Å²	57	40.5 Å²	40.5	35%	0.345	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	117.4	176.3	-178.3	0	0	0	0	108.4	R593 G597 V598	R593-V595 HydrophobicContact CG-CG2 4.14Å; V595-G597 VanDerWaalsContact C-N 3.32Å; V595-G597 PolarHBondContact O-N 2.85Å; V595-V598 PolarHBondContact N-O 3.45Å; V595-V598 WeakPolarHBondContact O-CB 3.47Å; V595-V598 PolarHBondContact O-N 3.27Å; V595-V598 VanDerWaalsContact O-N 3.08Å
596	N	93.6	Very high	96	Very high	162 Å²	162	43.7 Å²	43.7	87%	0.866	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.8	41.7	-179.3	-60.8	-47.1	0	0	0	114	V598	N596-V598 VanDerWaalsContact C-N 3.28Å; N596-V598 PolarHBondContact O-N 3.42Å
597	G	93.5	Very high	95	Very high	59 Å²	59	46.4 Å²	46.4	61%	0.608	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.7	5.6	-179.4	0	0	0	0	0	114.8	E594 V595	E594-G597 VanDerWaalsContact OE1-CA 3.29Å; E594-G597 WeakPolarHBondContact OE1-CA 3.31Å; V595-G597 VanDerWaalsContact C-N 3.32Å; V595-G597 PolarHBondContact O-N 2.85Å
598	V	96.6	Very high	94.5	Very high	69 Å²	69	49.1 Å²	49.1	42%	0.418	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	115.2	-179.4	-177.7	0	0	0	0	109.4	V595 N596 P613	V595-V598 PolarHBondContact N-O 3.45Å; V595-V598 WeakPolarHBondContact O-CB 3.47Å; V595-V598 PolarHBondContact O-N 3.27Å; V595-V598 VanDerWaalsContact O-N 3.08Å; N596-V598 VanDerWaalsContact C-N 3.28Å; N596-V598 PolarHBondContact O-N 3.42Å; V598-P613 HydrophobicContact CG1-CB 4.1Å
599	E	98.1	Very high	94.3	Very high	58 Å²	58	48.2 Å²	48.2	27%	0.271	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	135.9	169.4	-68.2	-175.5	172.9	0	0	110.7	I592 R593 P613 V614 M645 R647	I592-E599 HydrophobicContact CG2-CB 3.82Å; I592-E599 HydrophobicContact CG2-CG 4.03Å; R593-E599 CarbonylContact O-C 3.47Å; R593-E599 WeakPolarHBondContact O-CA 3.32Å; E599-P613 CarbonylContact O-C 3.54Å; E599-P613 WeakPolarHBondContact O-CA 3.5Å; E599-V614 HydrophobicContact CB-CB 4.05Å; E599-V614 HydrophobicContact CB-CG2 3.71Å; E599-V614 PolarHBondContact O-N 2.86Å; E599-M645 HydrophobicContact CG-CE 4.49Å; E599-R647 IonicContact OE1-CZ 3.97Å; E599-R647 IonicContact OE1-NH2 3.18Å; E599-R647 PolarHBondContact OE1-NH2 2.93Å; E599-R647 IonicContact OE2-CZ 2.72Å; E599-R647 VanDerWaalsContact OE2-CZ 3.27Å; E599-R647 IonicContact OE2-NH1 2.94Å; E599-R647 PolarHBondContact OE2-NH1 2.58Å; E599-R647 IonicContact OE2-NH2 3.01Å; E599-R647 PolarHBondContact OE2-NH2 2.61Å
600	Q	98.4	Very high	94.2	Very high	33 Å²	33	51.4 Å²	51.4	15%	0.154	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	138.4	173.6	-59.2	176.4	-8.1	0	0	109.8	I592 R593 W611 T612	I592-Q600 CarbonylContact C-O 3.55Å; I592-Q600 VanDerWaalsContact CA-O 3.24Å; I592-Q600 WeakPolarHBondContact CA-O 3.45Å; R593-Q600 HydrophobicContact CG-CB 4.28Å; R593-Q600 PolarHBondContact N-O 2.79Å; R593-Q600 VanDerWaalsContact NE-OE1 3.12Å; R593-Q600 PolarHBondContact O-N 2.83Å; Q600-W611 HydrophobicContact CB-CB 4.05Å; Q600-W611 HydrophobicContact CB-CE3 4.11Å; Q600-W611 WeakPolarHBondContact O-CZ3 3.42Å; Q600-W611 VanDerWaalsContact OE1-CB 3.3Å; Q600-T612 CarbonylContact C-O 3.34Å; Q600-T612 WeakPolarHBondContact CA-O 3.37Å
601	Y	98.4	Very high	94.1	Very high	5 Å²	5	52.9 Å²	52.9	2%	0.02	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	146.3	174.1	66.1	-100.2	0	0	0	112.5	V591 W611 T612 V614 E618 Y620 N622 A623	V591-Y601 WeakPolarHBondContact O-CA 3.35Å; Y601-W611 WeakPolarHBondContact O-CA 3.28Å; Y601-T612 WeakPolarHBondContact CD1-O 3.29Å; Y601-T612 HydrophobicContact CE1-CG2 3.84Å; Y601-T612 HydrophobicContact CE2-CG2 4.38Å; Y601-T612 PolarHBondContact N-O 3.1Å; Y601-T612 PolarHBondContact O-N 2.96Å; Y601-V614 HydrophobicContact CD1-CG2 4.13Å; Y601-E618 HydrophobicContact CD1-CG 4.3Å; Y601-E618 HydrophobicContact CE1-CG 3.94Å; Y601-E618 VanDerWaalsContact CE1-OE1 3.28Å; Y601-E618 WeakPolarHBondContact CE1-OE1 3.32Å; Y601-E618 PolarHBondContact OH-OE1 3.36Å; Y601-E618 VanDerWaalsContact OH-OE1 3.13Å; Y601-Y620 AromaticContact CD1-CD1 3.89Å; Y601-Y620 HydrophobicContact CD1-CD1 3.89Å; Y601-Y620 HydrophobicContact CD1-CE1 4.04Å; Y601-Y620 HydrophobicContact CE1-CD1 4.43Å; Y601-Y620 AromaticContact CG-CD1 4Å; Y601-Y620 HydrophobicContact CG-CD1 4Å; Y601-Y620 HydrophobicContact CG-CE1 4.32Å; Y601-N622 HydrophobicContact CE2-CB 4.42Å; Y601-A623 HydrophobicContact CD2-CB 3.31Å; Y601-A623 HydrophobicContact CE2-CB 3.7Å; Y601-A623 HydrophobicContact CG-CB 4.01Å
602	L	98.6	Very high	94.1	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	134.6	179.9	-179.3	62.3	0	0	0	112.3	V591 V604 K609 W611 T624 F626 L639	V591-L602 HydrophobicContact CB-CB 4.05Å; V591-L602 HydrophobicContact CB-CD2 4.2Å; V591-L602 HydrophobicContact CG2-CD2 4.42Å; V591-L602 PolarHBondContact O-N 2.94Å; L602-V604 HydrophobicContact CD1-CG2 4.3Å; L602-V604 HydrophobicContact CD2-CG2 3.83Å; L602-V604 HydrophobicContact CG-CG2 3.88Å; L602-K609 HydrophobicContact CD1-CB 3.87Å; L602-K609 HydrophobicContact CD1-CD 4.21Å; L602-K609 HydrophobicContact CD1-CG 4.11Å; L602-W611 HydrophobicContact CB-CD2 4.43Å; L602-W611 HydrophobicContact CB-CE3 4.06Å; L602-W611 HydrophobicContact CB-CH2 3.83Å; L602-W611 HydrophobicContact CB-CZ2 4.18Å; L602-W611 HydrophobicContact CB-CZ3 3.74Å; L602-W611 HydrophobicContact CD1-CD2 4.24Å; L602-W611 HydrophobicContact CD1-CH2 4.39Å; L602-W611 HydrophobicContact CD1-CZ2 3.87Å; L602-W611 HydrophobicContact CD2-CZ2 4.49Å; L602-W611 HydrophobicContact CG-CH2 4.47Å; L602-W611 HydrophobicContact CG-CZ2 4.4Å; L602-T624 PolarHBondContact O-N 3.02Å; L602-F626 HydrophobicContact CD2-CE2 4.28Å; L602-F626 HydrophobicContact CD2-CZ 4.06Å; L602-L639 HydrophobicContact CD1-CD2 4.43Å; L602-L639 HydrophobicContact CD2-CD1 4.41Å; L602-L639 HydrophobicContact CD2-CD2 4.09Å
603	T	97.9	Very high	94	Very high	31 Å²	31	58.9 Å²	58.9	19%	0.19	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	120.1	162.8	-52.6	0	0	0	0	108.6	T610 N622	T603-T610 WeakPolarHBondContact CB-OG1 3.36Å; T603-T610 PolarHBondContact N-O 2.94Å; T603-T610 PolarHBondContact O-N 2.62Å; T603-T610 PolarHBondContact O-OG1 2.95Å; T603-N622 VanDerWaalsContact CG2-O 3.27Å; T603-N622 WeakPolarHBondContact CG2-O 3.39Å; T603-N622 PolarHBondContact OG1-O 3.22Å; T603-N622 VanDerWaalsContact OG1-O 3.07Å
604	V	94.9	Very high	94	Very high	42 Å²	42	57.6 Å²	57.6	26%	0.255	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	113.1	177.9	-173	0	0	0	0	108.1	L602 K609 T624 F626	L602-V604 HydrophobicContact CD1-CG2 4.3Å; L602-V604 HydrophobicContact CD2-CG2 3.83Å; L602-V604 HydrophobicContact CG-CG2 3.88Å; V604-K609 HydrophobicContact CG1-CG 4.29Å; V604-K609 HydrophobicContact CG2-CG 4.29Å; V604-T624 HydrophobicContact CB-CG2 4.28Å; V604-T624 HydrophobicContact CG2-CG2 4.13Å; V604-T624 PolarHBondContact N-OG1 3.42Å; V604-F626 HydrophobicContact CG2-CZ 4.29Å
605	G	88.8	Confident	93.8	Very high	33 Å²	33	53.1 Å²	53.1	34%	0.34	33%	0.331	S	S	.	.			trans	-92.2	-171.4	169.7	0	0	0	0	0	111.6	S608	G605-S608 WeakPolarHBondContact CA-O 3.31Å; G605-S608 PolarHBondContact N-O 3.11Å
606	T	77.4	Confident	93.6	Very high	117 Å²	117	56.4 Å²	56.4	72%	0.718	35%	0.354	S	S	*	.	S	Bend	trans	-67.1	-37.6	-176.9	-47.2	0	0	0	0	113.9
607	D	75.9	Confident	93.4	Very high	84 Å²	84	56.7 Å²	56.7	45%	0.449	36%	0.355	S	S	.	.	S	Bend	trans	-131	5	-174.9	-56.8	-58.3	0	0	0	112.1	G416	G416-D607 WeakPolarHBondContact CA-O 3.48Å
608	S	88.5	Confident	93.4	Very high	57 Å²	57	56.2 Å²	56.2	40%	0.399	34%	0.337	S	S	.	.			trans	-155.7	156.4	-174.5	67.9	0	0	0	0	113.4	G605	G605-S608 WeakPolarHBondContact CA-O 3.31Å; G605-S608 PolarHBondContact N-O 3.11Å
609	K	94.7	Very high	93.3	Very high	21 Å²	21	58.7 Å²	58.7	9%	0.091	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	139.1	173.4	-73	177.3	-179.5	172.5	0	110.2	E414 V415 L602 V604 T637 G638 L639	E414-K609 HydrophobicContact CG-CB 3.94Å; E414-K609 HydrophobicContact CG-CD 3.66Å; E414-K609 HydrophobicContact CG-CG 4.37Å; E414-K609 WeakPolarHBondContact OE1-CB 3.34Å; V415-K609 HydrophobicContact CB-CD 4.25Å; L602-K609 HydrophobicContact CD1-CB 3.87Å; L602-K609 HydrophobicContact CD1-CD 4.21Å; L602-K609 HydrophobicContact CD1-CG 4.11Å; V604-K609 HydrophobicContact CG1-CG 4.29Å; V604-K609 HydrophobicContact CG2-CG 4.29Å; K609-T637 PolarHBondContact NZ-O 2.98Å; K609-G638 VanDerWaalsContact NZ-CA 3.29Å; K609-G638 PolarHBondContact NZ-O 2.8Å; K609-L639 HydrophobicContact CD-CD2 3.67Å
610	T	95.8	Very high	93.3	Very high	67 Å²	67	57 Å²	57	41%	0.411	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	140.5	-177.2	57	0	0	0	0	109.8	T603	T603-T610 WeakPolarHBondContact CB-OG1 3.36Å; T603-T610 PolarHBondContact N-O 2.94Å; T603-T610 PolarHBondContact O-N 2.62Å; T603-T610 PolarHBondContact O-OG1 2.95Å
611	W	97.5	Very high	93.1	Very high	31 Å²	31	58.8 Å²	58.8	12%	0.117	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	119.7	-177.6	-69.9	93	0	0	0	109.7	E414 V591 R593 Q600 Y601 L602 L639 Y644	E414-W611 PolarHBondContact OE1-NE1 3.41Å; E414-W611 PolarHBondContact OE2-NE1 3.43Å; V591-W611 HydrophobicContact CG1-CH2 3.82Å; V591-W611 HydrophobicContact CG1-CZ3 4.37Å; R593-W611 HydrophobicContact CB-CE3 4.36Å; R593-W611 HydrophobicContact CB-CH2 4Å; R593-W611 HydrophobicContact CB-CZ3 3.86Å; R593-W611 HydrophobicContact CG-CD2 4Å; R593-W611 HydrophobicContact CG-CE3 3.59Å; R593-W611 HydrophobicContact CG-CH2 4.02Å; R593-W611 HydrophobicContact CG-CZ2 4.41Å; R593-W611 HydrophobicContact CG-CZ3 3.61Å; R593-W611 VanDerWaalsContact NH1-CD1 3.34Å; R593-W611 VanDerWaalsContact NH2-CD1 3.3Å; R593-W611 VanDerWaalsContact NH2-CG 3.29Å; Q600-W611 HydrophobicContact CB-CB 4.05Å; Q600-W611 HydrophobicContact CB-CE3 4.11Å; Q600-W611 WeakPolarHBondContact O-CZ3 3.42Å; Q600-W611 VanDerWaalsContact OE1-CB 3.3Å; Y601-W611 WeakPolarHBondContact O-CA 3.28Å; L602-W611 HydrophobicContact CB-CD2 4.43Å; L602-W611 HydrophobicContact CB-CE3 4.06Å; L602-W611 HydrophobicContact CB-CH2 3.83Å; L602-W611 HydrophobicContact CB-CZ2 4.18Å; L602-W611 HydrophobicContact CB-CZ3 3.74Å; L602-W611 HydrophobicContact CD1-CD2 4.24Å; L602-W611 HydrophobicContact CD1-CH2 4.39Å; L602-W611 HydrophobicContact CD1-CZ2 3.87Å; L602-W611 HydrophobicContact CD2-CZ2 4.49Å; L602-W611 HydrophobicContact CG-CH2 4.47Å; L602-W611 HydrophobicContact CG-CZ2 4.4Å; W611-L639 HydrophobicContact CZ2-CD1 4.4Å; W611-L639 HydrophobicContact CZ2-CD2 4.17Å; W611-Y644 AromaticContact CH2-CD1 3.8Å; W611-Y644 HydrophobicContact CH2-CD1 3.8Å; W611-Y644 AromaticContact CH2-CE1 3.77Å; W611-Y644 HydrophobicContact CH2-CE1 3.77Å; W611-Y644 HydrophobicContact CZ2-CD1 4.27Å; W611-Y644 AromaticContact CZ2-CE1 3.77Å; W611-Y644 HydrophobicContact CZ2-CE1 3.77Å
612	T	98.1	Very high	92.9	Very high	53 Å²	53	64.2 Å²	64.2	33%	0.325	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	129.2	-175.8	-59.6	0	0	0	0	110.1	Q600 Y601 V614	Q600-T612 CarbonylContact C-O 3.34Å; Q600-T612 WeakPolarHBondContact CA-O 3.37Å; Y601-T612 WeakPolarHBondContact CD1-O 3.29Å; Y601-T612 HydrophobicContact CE1-CG2 3.84Å; Y601-T612 HydrophobicContact CE2-CG2 4.38Å; Y601-T612 PolarHBondContact N-O 3.1Å; Y601-T612 PolarHBondContact O-N 2.96Å; T612-V614 PolarHBondContact O-N 3.06Å
613	P	97.9	Very high	92.9	Very high	73 Å²	73	64.6 Å²	64.6	47%	0.474	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.2	136.1	175.4	-26.3	34.9	0	0	0	112.6	V598 E599 G615	V598-P613 HydrophobicContact CG1-CB 4.1Å; E599-P613 CarbonylContact O-C 3.54Å; E599-P613 WeakPolarHBondContact O-CA 3.5Å; P613-G615 PolarHBondContact O-N 2.93Å
614	V	97.7	Very high	92.9	Very high	37 Å²	37	64.9 Å²	64.9	22%	0.224	39%	0.394	C	S	.	.			trans	-72.1	115.9	177.2	179.2	0	0	0	0	109.4	I592 E599 Y601 T612 E618 Y620	I592-V614 HydrophobicContact CD1-CG2 4.08Å; E599-V614 HydrophobicContact CB-CB 4.05Å; E599-V614 HydrophobicContact CB-CG2 3.71Å; E599-V614 PolarHBondContact O-N 2.86Å; Y601-V614 HydrophobicContact CD1-CG2 4.13Å; T612-V614 PolarHBondContact O-N 3.06Å; V614-E618 HydrophobicContact CG1-CB 3.88Å; V614-E618 HydrophobicContact CG1-CG 4.3Å; V614-Y620 HydrophobicContact CG1-CE1 4.35Å; V614-Y620 WeakPolarHBondContact CG1-OH 3.19Å; V614-Y620 HydrophobicContact CG2-CE1 4.19Å
615	G	93.5	Very high	93	Very high	26 Å²	26	65.8 Å²	65.8	27%	0.268	39%	0.394	S	S	.	.			trans	-77.3	166.9	177.7	0	0	0	0	0	113.9	P613 N617 E618	P613-G615 PolarHBondContact O-N 2.93Å; G615-N617 PolarHBondContact O-N 2.92Å; G615-E618 PolarHBondContact N-OE2 3.13Å; G615-E618 WeakPolarHBondContact O-CB 3.36Å; G615-E618 PolarHBondContact O-N 2.83Å
616	P	89.6	Confident	93.5	Very high	127 Å²	127	65.5 Å²	65.5	83%	0.825	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	122.4	170.7	27.8	-33.1	0	0	0	110.1	E618	P616-E618 VanDerWaalsContact C-N 3.33Å
617	N	90.4	Very high	94.5	Very high	168 Å²	168	64.2 Å²	64.2	90%	0.898	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.3	35	-174.6	-44.1	-69.1	0	0	0	114	G615 D619	G615-N617 PolarHBondContact O-N 2.92Å; N617-D619 PolarHBondContact O-N 3.33Å
618	E	93.5	Very high	95.6	Very high	48 Å²	48	60.3 Å²	60.3	22%	0.224	35%	0.351	C	S	.	.			trans	-48.8	126.5	175.2	-172.7	62.4	-146.6	0	0	112	Y601 V614 G615 P616 Y620	Y601-E618 HydrophobicContact CD1-CG 4.3Å; Y601-E618 HydrophobicContact CE1-CG 3.94Å; Y601-E618 VanDerWaalsContact CE1-OE1 3.28Å; Y601-E618 WeakPolarHBondContact CE1-OE1 3.32Å; Y601-E618 PolarHBondContact OH-OE1 3.36Å; Y601-E618 VanDerWaalsContact OH-OE1 3.13Å; V614-E618 HydrophobicContact CG1-CB 3.88Å; V614-E618 HydrophobicContact CG1-CG 4.3Å; G615-E618 PolarHBondContact N-OE2 3.13Å; G615-E618 WeakPolarHBondContact O-CB 3.36Å; G615-E618 PolarHBondContact O-N 2.83Å; P616-E618 VanDerWaalsContact C-N 3.33Å; E618-Y620 HydrophobicContact CB-CD2 4.45Å; E618-Y620 HydrophobicContact CB-CE1 4.39Å; E618-Y620 HydrophobicContact CB-CE2 4.15Å; E618-Y620 HydrophobicContact CG-CD1 3.7Å; E618-Y620 HydrophobicContact CG-CD2 4.09Å; E618-Y620 HydrophobicContact CG-CE1 3.74Å; E618-Y620 HydrophobicContact CG-CE2 4.13Å; E618-Y620 HydrophobicContact CG-CG 3.86Å; E618-Y620 WeakPolarHBondContact O-CD2 3.41Å; E618-Y620 WeakPolarHBondContact O-CE2 3.49Å
619	D	94.6	Very high	96	Very high	122 Å²	122	61.4 Å²	61.4	65%	0.652	35%	0.352	S	S	*	.			trans	-90.1	-8.1	175	70.6	2.6	0	0	0	112.8	N617 A621	N617-D619 PolarHBondContact O-N 3.33Å; D619-A621 PolarHBondContact O-N 3.47Å; D619-A621 WeakPolarHBondContact OD1-CB 3.47Å; D619-A621 PolarHBondContact OD1-N 2.9Å
620	Y	96.3	Very high	96.1	Very high	22 Å²	22	65 Å²	65	9%	0.086	39%	0.386	C	S	.	.			trans	58.5	28.4	-179.3	-57.6	-85	0	0	0	113.3	V590 I592 Y601 V614 E618 N622 A623 K625 R647 I649	V590-Y620 HydrophobicContact CG1-CD1 4.35Å; V590-Y620 HydrophobicContact CG1-CG 4.37Å; V590-Y620 HydrophobicContact CG2-CD1 3.99Å; V590-Y620 HydrophobicContact CG2-CE1 4.04Å; V590-Y620 HydrophobicContact CG2-CG 4.45Å; I592-Y620 HydrophobicContact CD1-CE1 3.97Å; Y601-Y620 AromaticContact CD1-CD1 3.89Å; Y601-Y620 HydrophobicContact CD1-CD1 3.89Å; Y601-Y620 HydrophobicContact CD1-CE1 4.04Å; Y601-Y620 HydrophobicContact CE1-CD1 4.43Å; Y601-Y620 AromaticContact CG-CD1 4Å; Y601-Y620 HydrophobicContact CG-CD1 4Å; Y601-Y620 HydrophobicContact CG-CE1 4.32Å; V614-Y620 HydrophobicContact CG1-CE1 4.35Å; V614-Y620 WeakPolarHBondContact CG1-OH 3.19Å; V614-Y620 HydrophobicContact CG2-CE1 4.19Å; E618-Y620 HydrophobicContact CB-CD2 4.45Å; E618-Y620 HydrophobicContact CB-CE1 4.39Å; E618-Y620 HydrophobicContact CB-CE2 4.15Å; E618-Y620 HydrophobicContact CG-CD1 3.7Å; E618-Y620 HydrophobicContact CG-CD2 4.09Å; E618-Y620 HydrophobicContact CG-CE1 3.74Å; E618-Y620 HydrophobicContact CG-CE2 4.13Å; E618-Y620 HydrophobicContact CG-CG 3.86Å; E618-Y620 WeakPolarHBondContact O-CD2 3.41Å; E618-Y620 WeakPolarHBondContact O-CE2 3.49Å; Y620-N622 PolarHBondContact O-N 3.3Å; Y620-N622 VanDerWaalsContact O-N 3.14Å; Y620-A623 HydrophobicContact CD1-CB 4.31Å; Y620-A623 PolarHBondContact O-N 3.14Å; Y620-K625 PolarHBondContact O-NZ 2.88Å; Y620-R647 WeakPolarHBondContact OH-CD 3.33Å; Y620-R647 PolarHBondContact OH-NH1 3Å; Y620-I649 HydrophobicContact CD2-CG2 4.08Å
621	A	95.2	Very high	96.1	Very high	71 Å²	71	64.3 Å²	64.3	59%	0.587	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-32.1	-176.4	0	0	0	0	0	113.5	D619	D619-A621 PolarHBondContact O-N 3.47Å; D619-A621 WeakPolarHBondContact OD1-CB 3.47Å; D619-A621 PolarHBondContact OD1-N 2.9Å
622	N	94.1	Very high	96.1	Very high	118 Å²	118	62.9 Å²	62.9	63%	0.631	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.1	-11.7	-179.8	-59.9	-41.9	0	0	0	113.9	Y601 T603 Y620	Y601-N622 HydrophobicContact CE2-CB 4.42Å; T603-N622 VanDerWaalsContact CG2-O 3.27Å; T603-N622 WeakPolarHBondContact CG2-O 3.39Å; T603-N622 PolarHBondContact OG1-O 3.22Å; T603-N622 VanDerWaalsContact OG1-O 3.07Å; Y620-N622 PolarHBondContact O-N 3.3Å; Y620-N622 VanDerWaalsContact O-N 3.14Å
623	A	97.7	Very high	96.1	Very high	8 Å²	8	65.7 Å²	65.7	7%	0.066	39%	0.387	C	S	.	.	S	Bend	trans	-71.9	144	-177.5	0	0	0	0	0	111.4	V590 Y601 Y620 K625	V590-A623 HydrophobicContact CB-CB 4.32Å; V590-A623 HydrophobicContact CG1-CB 3.68Å; Y601-A623 HydrophobicContact CD2-CB 3.31Å; Y601-A623 HydrophobicContact CE2-CB 3.7Å; Y601-A623 HydrophobicContact CG-CB 4.01Å; Y620-A623 HydrophobicContact CD1-CB 4.31Å; Y620-A623 PolarHBondContact O-N 3.14Å; A623-K625 WeakPolarHBondContact O-CD 3.37Å; A623-K625 PolarHBondContact O-N 3.48Å
624	T	98.2	Very high	96.1	Very high	37 Å²	37	63.2 Å²	63.2	23%	0.227	37%	0.368	C	S	.	.	P	Polyproline II helix	trans	-67.5	130.3	171.4	-64.3	0	0	0	0	110.1	L602 V604 F626	L602-T624 PolarHBondContact O-N 3.02Å; V604-T624 HydrophobicContact CB-CG2 4.28Å; V604-T624 HydrophobicContact CG2-CG2 4.13Å; V604-T624 PolarHBondContact N-OG1 3.42Å; T624-F626 HydrophobicContact CG2-CD2 4.49Å; T624-F626 HydrophobicContact CG2-CE2 3.94Å; T624-F626 HydrophobicContact CG2-CZ 4Å
625	K	98.3	Very high	96.1	Very high	61 Å²	61	65.6 Å²	65.6	27%	0.265	38%	0.377	S	S	.	.	P	Polyproline II helix	trans	-96.8	119.9	179.5	-51.4	-43.3	-167.1	-172.8	0	110.1	F589 V590 Y620 A623 I627 I649	F589-K625 WeakPolarHBondContact O-CA 3.29Å; V590-K625 HydrophobicContact CG1-CD 3.81Å; Y620-K625 PolarHBondContact O-NZ 2.88Å; A623-K625 WeakPolarHBondContact O-CD 3.37Å; A623-K625 PolarHBondContact O-N 3.48Å; K625-I627 HydrophobicContact CB-CG1 4.25Å; K625-I649 HydrophobicContact CD-CD1 3.33Å; K625-I649 HydrophobicContact CG-CD1 4.18Å; K625-I649 VanDerWaalsContact NZ-CD1 3.25Å
626	F	98.5	Very high	96.3	Very high	28 Å²	28	64.4 Å²	64.4	12%	0.123	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	113.6	172.9	-63.2	-91.6	0	0	0	108.2	F589 V591 L602 V604 T624 F634 E635 V636	F589-F626 PolarHBondContact N-O 3.1Å; F589-F626 PolarHBondContact O-N 3.37Å; V591-F626 HydrophobicContact CB-CE2 4.42Å; V591-F626 HydrophobicContact CG2-CD2 3.83Å; V591-F626 HydrophobicContact CG2-CE2 3.56Å; V591-F626 HydrophobicContact CG2-CZ 4.15Å; L602-F626 HydrophobicContact CD2-CE2 4.28Å; L602-F626 HydrophobicContact CD2-CZ 4.06Å; V604-F626 HydrophobicContact CG2-CZ 4.29Å; T624-F626 HydrophobicContact CG2-CD2 4.49Å; T624-F626 HydrophobicContact CG2-CE2 3.94Å; T624-F626 HydrophobicContact CG2-CZ 4Å; F626-F634 HydrophobicContact CB-CD2 3.89Å; F626-F634 HydrophobicContact CB-CE2 4.31Å; F626-E635 VanDerWaalsContact CD1-O 3.25Å; F626-E635 WeakPolarHBondContact CD1-O 3.07Å; F626-V636 HydrophobicContact CD1-CG2 3.81Å; F626-V636 HydrophobicContact CD2-CG2 4.45Å; F626-V636 HydrophobicContact CE1-CB 4.39Å; F626-V636 HydrophobicContact CE1-CG2 3.83Å; F626-V636 HydrophobicContact CE2-CG2 4.47Å; F626-V636 HydrophobicContact CG-CG2 4.13Å; F626-V636 HydrophobicContact CZ-CG1 4.49Å; F626-V636 HydrophobicContact CZ-CG2 4.16Å
627	I	98.5	Very high	96.7	Very high	89 Å²	89	60.7 Å²	60.7	46%	0.456	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	123	-169.8	-47.6	-173.6	0	0	0	109.7	A587 E588 K625 D629	A587-I627 WeakPolarHBondContact O-CA 3.3Å; E588-I627 HydrophobicContact CG-CD1 4.21Å; E588-I627 HydrophobicContact CG-CG1 4.05Å; E588-I627 HydrophobicContact CG-CG2 4.33Å; K625-I627 HydrophobicContact CB-CG1 4.25Å; I627-D629 PolarHBondContact O-N 2.62Å
628	S	98.4	Very high	96.9	Very high	3 Å²	3	52.9 Å²	52.9	2%	0.021	30%	0.298	C	S	.	.			trans	-62.4	128.2	172.7	50.8	0	0	0	0	111.9	L584 G586 A587 R633	L584-S628 WeakPolarHBondContact O-CB 3.32Å; L584-S628 PolarHBondContact O-OG 2.85Å; G586-S628 PolarHBondContact N-O 2.81Å; G586-S628 PolarHBondContact N-OG 2.87Å; A587-S628 WeakPolarHBondContact CA-OG 3.37Å; A587-S628 VanDerWaalsContact CB-OG 3.28Å; A587-S628 WeakPolarHBondContact CB-OG 3.1Å; A587-S628 PolarHBondContact N-OG 2.79Å; A587-S628 PolarHBondContact O-N 2.92Å; A587-S628 PolarHBondContact O-OG 2.86Å; S628-R633 WeakPolarHBondContact CA-O 3.26Å
629	D	98.1	Very high	97.1	Very high	79 Å²	79	50.6 Å²	50.6	42%	0.422	29%	0.288	S	S	.	.			trans	-76.7	-173.8	-178.1	76.5	5.3	0	0	0	113.3	A585 I627 A631 G632 R633	A585-D629 WeakPolarHBondContact CA-O 3.48Å; A585-D629 WeakPolarHBondContact CB-O 3.5Å; I627-D629 PolarHBondContact O-N 2.62Å; D629-A631 PolarHBondContact O-N 2.72Å; D629-A631 VanDerWaalsContact O-N 3.14Å; D629-A631 VanDerWaalsContact OD1-C 3.25Å; D629-A631 VanDerWaalsContact OD1-CA 3.26Å; D629-A631 WeakPolarHBondContact OD1-CA 3.38Å; D629-A631 WeakPolarHBondContact OD1-CB 3.35Å; D629-A631 PolarHBondContact OD1-N 2.88Å; D629-G632 PolarHBondContact O-N 3.5Å; D629-G632 PolarHBondContact OD1-N 2.81Å; D629-R633 PolarHBondContact N-O 3.46Å; D629-R633 PolarHBondContact OD1-N 2.68Å
630	A	96.3	Very high	97.1	Very high	97 Å²	97	45.6 Å²	45.6	80%	0.802	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-24.4	178.6	0	0	0	0	0	114.5
631	A	96.4	Very high	97	Very high	53 Å²	53	46.8 Å²	46.8	44%	0.438	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.4	7.9	175.9	0	0	0	0	0	112.5	F574 G583 D629 R633	F574-A631 VanDerWaalsContact CE2-O 3.32Å; F574-A631 WeakPolarHBondContact CE2-O 3.35Å; G583-A631 WeakPolarHBondContact CA-O 3.24Å; D629-A631 PolarHBondContact O-N 2.72Å; D629-A631 VanDerWaalsContact O-N 3.14Å; D629-A631 VanDerWaalsContact OD1-C 3.25Å; D629-A631 VanDerWaalsContact OD1-CA 3.26Å; D629-A631 WeakPolarHBondContact OD1-CA 3.38Å; D629-A631 WeakPolarHBondContact OD1-CB 3.35Å; D629-A631 PolarHBondContact OD1-N 2.88Å; A631-R633 VanDerWaalsContact C-N 3.27Å; A631-R633 HydrophobicContact CB-CG 4.15Å; A631-R633 PolarHBondContact O-N 2.84Å
632	G	97.4	Very high	97	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	25%	0.253	C	S	.	.	S	Bend	trans	72.7	14.5	-176.8	0	0	0	0	0	114	F574 K575 L584 D629	F574-G632 CarbonylContact C-O 3.49Å; F574-G632 WeakPolarHBondContact CA-O 3.38Å; K575-G632 WeakPolarHBondContact CB-O 3.4Å; K575-G632 PolarHBondContact N-O 2.8Å; L584-G632 WeakPolarHBondContact O-CA 3.28Å; D629-G632 PolarHBondContact O-N 3.5Å; D629-G632 PolarHBondContact OD1-N 2.81Å
633	R	97.7	Very high	97.2	Very high	113 Å²	113	45 Å²	45	43%	0.426	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	146.3	-176.7	-56.1	-66	177.5	172.7	-1.2	110.9	F574 S628 D629 A631	F574-R633 VanDerWaalsContact CD2-CZ 3.42Å; S628-R633 WeakPolarHBondContact CA-O 3.26Å; D629-R633 PolarHBondContact N-O 3.46Å; D629-R633 PolarHBondContact OD1-N 2.68Å; A631-R633 VanDerWaalsContact C-N 3.27Å; A631-R633 HydrophobicContact CB-CG 4.15Å; A631-R633 PolarHBondContact O-N 2.84Å
634	F	98.5	Very high	97.2	Very high	20 Å²	20	45.3 Å²	45.3	9%	0.088	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.8	167.7	165.1	64.1	-80	0	0	0	108	F573 K575 F589 F626 L646 I679	F573-F634 HydrophobicContact CB-CD1 3.91Å; F573-F634 HydrophobicContact CB-CD2 4.03Å; F573-F634 HydrophobicContact CB-CE1 3.47Å; F573-F634 VanDerWaalsContact CB-CE1 3.47Å; F573-F634 HydrophobicContact CB-CE2 3.62Å; F573-F634 HydrophobicContact CB-CG 4.18Å; F573-F634 HydrophobicContact CB-CZ 3.33Å; F573-F634 HydrophobicContact CD1-CZ 4.46Å; F573-F634 AromaticContact CD2-CD2 3.79Å; F573-F634 HydrophobicContact CD2-CD2 3.79Å; F573-F634 AromaticContact CD2-CE2 3.48Å; F573-F634 HydrophobicContact CD2-CE2 3.48Å; F573-F634 VanDerWaalsContact CD2-CE2 3.48Å; F573-F634 HydrophobicContact CD2-CZ 4.08Å; F573-F634 HydrophobicContact CE2-CE2 4.3Å; F573-F634 HydrophobicContact CG-CD2 4.22Å; F573-F634 HydrophobicContact CG-CE1 4.36Å; F573-F634 AromaticContact CG-CE2 3.63Å; F573-F634 HydrophobicContact CG-CE2 3.63Å; F573-F634 AromaticContact CG-CZ 3.72Å; F573-F634 HydrophobicContact CG-CZ 3.72Å; F573-F634 PolarHBondContact N-O 3.3Å; F573-F634 PolarHBondContact O-N 3.04Å; K575-F634 HydrophobicContact CB-CE1 4.43Å; F589-F634 AromaticContact CD2-CE1 3.99Å; F589-F634 HydrophobicContact CD2-CE1 3.99Å; F589-F634 HydrophobicContact CD2-CE2 4.03Å; F589-F634 AromaticContact CD2-CZ 3.5Å; F589-F634 HydrophobicContact CD2-CZ 3.5Å; F589-F634 VanDerWaalsContact CD2-CZ 3.5Å; F589-F634 AromaticContact CE2-CE1 3.85Å; F589-F634 HydrophobicContact CE2-CE1 3.85Å; F589-F634 AromaticContact CE2-CZ 3.67Å; F589-F634 HydrophobicContact CE2-CZ 3.67Å; F589-F634 HydrophobicContact CG-CE2 4.47Å; F589-F634 HydrophobicContact CG-CZ 4.18Å; F589-F634 HydrophobicContact CZ-CZ 4.47Å; F626-F634 HydrophobicContact CB-CD2 3.89Å; F626-F634 HydrophobicContact CB-CE2 4.31Å; F634-L646 HydrophobicContact CE2-CD1 3.76Å; F634-L646 HydrophobicContact CE2-CD2 4.4Å; F634-L646 HydrophobicContact CZ-CD1 3.77Å; F634-I679 HydrophobicContact CE1-CD1 4.38Å; F634-I679 HydrophobicContact CZ-CD1 3.87Å
635	E	97.7	Very high	97.3	Very high	87 Å²	87	44.8 Å²	44.8	41%	0.407	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	156.7	-177.4	62.7	-165	-171.4	0	0	111.6	K571 K572 F626 T637 Y671	K571-E635 VanDerWaalsContact O-CA 3.3Å; K571-E635 WeakPolarHBondContact O-CA 3.33Å; K571-E635 WeakPolarHBondContact O-CB 3.18Å; K572-E635 HydrophobicContact CG-CB 4.15Å; F626-E635 VanDerWaalsContact CD1-O 3.25Å; F626-E635 WeakPolarHBondContact CD1-O 3.07Å; E635-T637 HydrophobicContact CG-CG2 4.23Å; E635-Y671 HydrophobicContact CB-CE2 4.12Å; E635-Y671 VanDerWaalsContact CD-OH 3.23Å; E635-Y671 HydrophobicContact CG-CE2 4.38Å; E635-Y671 PolarHBondContact OE1-OH 3.34Å; E635-Y671 WeakPolarHBondContact OE2-CE2 3.39Å; E635-Y671 PolarHBondContact OE2-OH 3.15Å; E635-Y671 VanDerWaalsContact OE2-OH 3.04Å
636	V	97.7	Very high	97.3	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.006	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	120.1	172.4	175.7	0	0	0	0	105.8	G570 K571 F573 V591 F626 L639 L646	G570-V636 CarbonylContact C-O 3.59Å; G570-V636 WeakPolarHBondContact CA-O 3.42Å; K571-V636 PolarHBondContact N-O 3.33Å; K571-V636 PolarHBondContact O-N 3.23Å; F573-V636 HydrophobicContact CD2-CG2 4.48Å; F573-V636 HydrophobicContact CE2-CB 4.03Å; F573-V636 HydrophobicContact CE2-CG2 3.7Å; F573-V636 HydrophobicContact CZ-CG2 4.48Å; V591-V636 HydrophobicContact CG2-CB 4.41Å; V591-V636 HydrophobicContact CG2-CG1 3.97Å; V591-V636 HydrophobicContact CG2-CG2 3.51Å; F626-V636 HydrophobicContact CD1-CG2 3.81Å; F626-V636 HydrophobicContact CD2-CG2 4.45Å; F626-V636 HydrophobicContact CE1-CB 4.39Å; F626-V636 HydrophobicContact CE1-CG2 3.83Å; F626-V636 HydrophobicContact CE2-CG2 4.47Å; F626-V636 HydrophobicContact CG-CG2 4.13Å; F626-V636 HydrophobicContact CZ-CG1 4.49Å; F626-V636 HydrophobicContact CZ-CG2 4.16Å; V636-L639 HydrophobicContact CG1-CD1 3.49Å; V636-L639 VanDerWaalsContact CG1-CD1 3.49Å; V636-L639 HydrophobicContact CG1-CG 4.11Å; V636-L646 HydrophobicContact CG2-CD2 4.46Å
637	T	96.4	Very high	97.3	Very high	50 Å²	50	42.7 Å²	42.7	31%	0.307	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	166.6	-175.1	51.7	0	0	0	0	110.5	V536 G569 K609 E635 Y671	V536-T637 HydrophobicContact CG2-CG2 3.78Å; G569-T637 CarbonylContact O-C 3.52Å; K609-T637 PolarHBondContact NZ-O 2.98Å; E635-T637 HydrophobicContact CG-CG2 4.23Å; T637-Y671 HydrophobicContact CG2-CD2 4Å; T637-Y671 HydrophobicContact CG2-CE2 3.33Å
638	G	95.6	Very high	97.3	Very high	3 Å²	3	38.7 Å²	38.7	3%	0.031	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	71.7	28.3	170.2	0	0	0	0	0	114.6	V415 T568 G569 K609	V415-G638 PolarHBondContact N-O 3.47Å; T568-G638 WeakPolarHBondContact OG1-CA 3.19Å; G569-G638 PolarHBondContact O-N 3.07Å; K609-G638 VanDerWaalsContact NZ-CA 3.29Å; K609-G638 PolarHBondContact NZ-O 2.8Å
639	L	97	Very high	97.2	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	151.7	178.3	-63	-174.2	0	0	0	110.1	E414 T568 G569 V591 L602 K609 W611 V636 Y644 I666	E414-L639 HydrophobicContact CG-CD2 4.01Å; E414-L639 VanDerWaalsContact OE2-CD2 3.32Å; E414-L639 WeakPolarHBondContact OE2-CD2 3.4Å; T568-L639 PolarHBondContact OG1-N 3.3Å; G569-L639 WeakPolarHBondContact CA-O 3.49Å; G569-L639 PolarHBondContact N-O 3.27Å; G569-L639 PolarHBondContact O-N 3.42Å; G569-L639 VanDerWaalsContact O-N 3.12Å; V591-L639 HydrophobicContact CG1-CD1 4.42Å; L602-L639 HydrophobicContact CD1-CD2 4.43Å; L602-L639 HydrophobicContact CD2-CD1 4.41Å; L602-L639 HydrophobicContact CD2-CD2 4.09Å; K609-L639 HydrophobicContact CD-CD2 3.67Å; W611-L639 HydrophobicContact CZ2-CD1 4.4Å; W611-L639 HydrophobicContact CZ2-CD2 4.17Å; V636-L639 HydrophobicContact CG1-CD1 3.49Å; V636-L639 VanDerWaalsContact CG1-CD1 3.49Å; V636-L639 HydrophobicContact CG1-CG 4.11Å; L639-Y644 HydrophobicContact CD1-CD1 4.26Å; L639-Y644 HydrophobicContact CD1-CE1 3.95Å; L639-Y644 HydrophobicContact CD1-CE2 4.49Å; L639-I666 HydrophobicContact CB-CD1 3.7Å; L639-I666 HydrophobicContact CD1-CD1 3.84Å; L639-I666 HydrophobicContact CG-CD1 4.23Å
640	A	95.4	Very high	97.1	Very high	17 Å²	17	41.6 Å²	41.6	14%	0.14	23%	0.229	C	C	.	.			trans	-62.8	158.9	167.6	0	0	0	0	0	110.7	D412 E414 Y644	D412-A640 WeakPolarHBondContact OD2-CB 3.44Å; E414-A640 HydrophobicContact CB-CB 4.49Å; A640-Y644 WeakPolarHBondContact O-CE2 3.36Å; A640-Y644 PolarHBondContact O-OH 2.95Å
641	Y	94.8	Very high	97.2	Very high	47 Å²	47	37.8 Å²	37.8	18%	0.184	20%	0.197	C	C	.	.	S	Bend	trans	-65.5	145.5	176.1	-65.5	-13.3	0	0	0	110.9	D412 I567 I666 K668	D412-Y641 HydrophobicContact CB-CD1 3.94Å; D412-Y641 HydrophobicContact CB-CD2 3.82Å; D412-Y641 HydrophobicContact CB-CE1 4.28Å; D412-Y641 HydrophobicContact CB-CE2 4.15Å; D412-Y641 HydrophobicContact CB-CG 3.71Å; D412-Y641 VanDerWaalsContact OD1-CD2 3.31Å; D412-Y641 WeakPolarHBondContact OD1-CD2 3.49Å; D412-Y641 PolarHBondContact OD2-N 3.41Å; I567-Y641 WeakPolarHBondContact CD1-OH 3.26Å; I567-Y641 HydrophobicContact CG2-CE2 4.31Å; Y641-I666 CarbonylContact C-O 3.58Å; Y641-I666 WeakPolarHBondContact CA-O 3.3Å; Y641-I666 WeakPolarHBondContact CB-O 3.32Å; Y641-I666 HydrophobicContact CD1-CG2 3.86Å; Y641-I666 HydrophobicContact CE1-CG2 4.37Å; Y641-K668 HydrophobicContact CE2-CB 4.28Å; Y641-K668 WeakPolarHBondContact OH-CA 3.45Å
642	G	95.1	Very high	97.2	Very high	26 Å²	26	35.4 Å²	35.4	27%	0.268	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	149.3	-174.4	-179.6	0	0	0	0	0	114.3	Y644 I666	G642-Y644 VanDerWaalsContact O-CD2 3.23Å; G642-Y644 WeakPolarHBondContact O-CD2 3.41Å; G642-Y644 WeakPolarHBondContact O-CE2 3.49Å; G642-I666 PolarHBondContact N-O 2.81Å; G642-I666 PolarHBondContact O-N 2.78Å
643	D	97.4	Very high	97	Very high	126 Å²	126	42.7 Å²	42.7	67%	0.674	22%	0.216	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-93.8	131.3	-178.1	-62.4	-57.3	0	0	0	111.9
644	Y	98.6	Very high	96.7	Very high	15 Å²	15	39.6 Å²	39.6	6%	0.059	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	166.7	-178.3	-59.8	-86	0	0	0	110.5	V591 I592 R593 W611 L639 A640 G642 F664 I666	V591-Y644 HydrophobicContact CG1-CD1 4.15Å; I592-Y644 CarbonylContact O-C 3.57Å; I592-Y644 WeakPolarHBondContact O-CA 3.44Å; R593-Y644 HydrophobicContact CB-CD1 3.86Å; R593-Y644 HydrophobicContact CB-CE1 4.09Å; W611-Y644 AromaticContact CH2-CD1 3.8Å; W611-Y644 HydrophobicContact CH2-CD1 3.8Å; W611-Y644 AromaticContact CH2-CE1 3.77Å; W611-Y644 HydrophobicContact CH2-CE1 3.77Å; W611-Y644 HydrophobicContact CZ2-CD1 4.27Å; W611-Y644 AromaticContact CZ2-CE1 3.77Å; W611-Y644 HydrophobicContact CZ2-CE1 3.77Å; L639-Y644 HydrophobicContact CD1-CD1 4.26Å; L639-Y644 HydrophobicContact CD1-CE1 3.95Å; L639-Y644 HydrophobicContact CD1-CE2 4.49Å; A640-Y644 WeakPolarHBondContact O-CE2 3.36Å; A640-Y644 PolarHBondContact O-OH 2.95Å; G642-Y644 VanDerWaalsContact O-CD2 3.23Å; G642-Y644 WeakPolarHBondContact O-CD2 3.41Å; G642-Y644 WeakPolarHBondContact O-CE2 3.49Å; Y644-F664 VanDerWaalsContact CB-CE1 3.5Å; Y644-F664 HydrophobicContact CD2-CE2 4.12Å; Y644-F664 HydrophobicContact CD2-CZ 4.5Å; Y644-F664 HydrophobicContact CG-CE2 4.14Å; Y644-F664 HydrophobicContact CG-CZ 4.06Å; Y644-F664 PolarHBondContact N-O 2.9Å; Y644-F664 PolarHBondContact O-N 3.32Å; Y644-I666 HydrophobicContact CD2-CB 4.33Å; Y644-I666 HydrophobicContact CD2-CD1 3.84Å; Y644-I666 HydrophobicContact CD2-CG1 3.84Å; Y644-I666 HydrophobicContact CE2-CB 4.05Å; Y644-I666 HydrophobicContact CE2-CD1 3.7Å; Y644-I666 HydrophobicContact CE2-CG1 3.92Å
645	M	98.6	Very high	96.5	Very high	26 Å²	26	39.7 Å²	39.7	13%	0.128	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	143.4	177.6	-65.5	178.5	-74.3	0	0	110.6	V591 I592 E599 D661 V662 D663	V591-M645 CarbonylContact C-O 3.56Å; V591-M645 WeakPolarHBondContact CA-O 3.48Å; I592-M645 HydrophobicContact CB-CB 4.19Å; I592-M645 HydrophobicContact CB-CE 4.25Å; I592-M645 HydrophobicContact CG2-CE 3.73Å; I592-M645 PolarHBondContact N-O 3.18Å; I592-M645 PolarHBondContact O-N 2.68Å; E599-M645 HydrophobicContact CG-CE 4.49Å; M645-D661 HydrophobicContact CB-CB 4.15Å; M645-D661 HydrophobicContact SD-CB 4.31Å; M645-V662 CarbonylContact C-O 3.48Å; M645-V662 WeakPolarHBondContact CA-O 3.29Å; M645-D663 VanDerWaalsContact CG-OD1 3.3Å; M645-D663 WeakPolarHBondContact CG-OD1 3.47Å
646	L	98.7	Very high	96.2	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	116.8	164.6	-69.2	177.4	0	0	0	109.7	F573 F589 V591 F634 V636 D661 V662 F664 I679	F573-L646 HydrophobicContact CD1-CD1 3.45Å; F573-L646 VanDerWaalsContact CD1-CD1 3.45Å; F573-L646 HydrophobicContact CD2-CD1 4.17Å; F573-L646 HydrophobicContact CE1-CD1 3.36Å; F573-L646 HydrophobicContact CE1-CG 4.16Å; F573-L646 HydrophobicContact CE2-CD1 4.11Å; F573-L646 HydrophobicContact CG-CD1 3.86Å; F573-L646 HydrophobicContact CZ-CD1 3.71Å; F573-L646 HydrophobicContact CZ-CG 4.21Å; F589-L646 HydrophobicContact CB-CB 4.46Å; F589-L646 HydrophobicContact CB-CD2 4.07Å; F589-L646 HydrophobicContact CD1-CB 3.76Å; F589-L646 HydrophobicContact CD1-CD1 4.49Å; F589-L646 HydrophobicContact CE1-CB 4.39Å; F589-L646 HydrophobicContact CG-CB 4.36Å; V591-L646 HydrophobicContact CG2-CD2 3.83Å; F634-L646 HydrophobicContact CE2-CD1 3.76Å; F634-L646 HydrophobicContact CE2-CD2 4.4Å; F634-L646 HydrophobicContact CZ-CD1 3.77Å; V636-L646 HydrophobicContact CG2-CD2 4.46Å; L646-D661 WeakPolarHBondContact O-CA 3.45Å; L646-V662 HydrophobicContact CB-CB 4.26Å; L646-V662 PolarHBondContact N-O 2.78Å; L646-V662 PolarHBondContact O-N 3.03Å; L646-F664 HydrophobicContact CD2-CE1 3.93Å; L646-F664 HydrophobicContact CG-CD1 3.92Å; L646-F664 HydrophobicContact CG-CE1 3.64Å; L646-I679 HydrophobicContact CD1-CD1 3.58Å
647	R	98.3	Very high	96.1	Very high	45 Å²	45	45.5 Å²	45.5	17%	0.17	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	113.1	170.7	-178.7	165.4	-67.5	164.9	7	109.2	F589 V590 I592 E599 Y620 I649 D661	F589-R647 WeakPolarHBondContact CA-O 3.31Å; V590-R647 HydrophobicContact CG2-CB 3.85Å; V590-R647 HydrophobicContact CG2-CG 4.47Å; V590-R647 PolarHBondContact N-O 2.97Å; V590-R647 PolarHBondContact O-N 2.98Å; I592-R647 HydrophobicContact CG1-CB 4.07Å; E599-R647 IonicContact OE1-CZ 3.97Å; E599-R647 IonicContact OE1-NH2 3.18Å; E599-R647 PolarHBondContact OE1-NH2 2.93Å; E599-R647 IonicContact OE2-CZ 2.72Å; E599-R647 VanDerWaalsContact OE2-CZ 3.27Å; E599-R647 IonicContact OE2-NH1 2.94Å; E599-R647 PolarHBondContact OE2-NH1 2.58Å; E599-R647 IonicContact OE2-NH2 3.01Å; E599-R647 PolarHBondContact OE2-NH2 2.61Å; Y620-R647 WeakPolarHBondContact OH-CD 3.33Å; Y620-R647 PolarHBondContact OH-NH1 3Å; R647-I649 PolarHBondContact O-N 2.85Å; R647-D661 VanDerWaalsContact CA-OD1 3.32Å; R647-D661 WeakPolarHBondContact CA-OD1 3.33Å; R647-D661 WeakPolarHBondContact CB-OD1 3.3Å; R647-D661 WeakPolarHBondContact CG-OD1 3.2Å; R647-D661 IonicContact CZ-OD1 3.77Å; R647-D661 IonicContact CZ-OD2 3.03Å; R647-D661 IonicContact NE-OD1 3.71Å; R647-D661 PolarHBondContact NE-OD1 2.84Å; R647-D661 IonicContact NE-OD2 3.89Å; R647-D661 PolarHBondContact NE-OD2 3.45Å; R647-D661 IonicContact NH2-OD2 3.62Å; R647-D661 PolarHBondContact NH2-OD2 2.8Å
648	E	98.2	Very high	96	Very high	4 Å²	4	45.2 Å²	45.2	2%	0.019	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	130.7	173.3	-162	179.1	-133.3	0	0	107.8	F589 K657 L658 N681	F589-E648 HydrophobicContact CD1-CB 3.86Å; F589-E648 HydrophobicContact CD1-CG 4.26Å; F589-E648 HydrophobicContact CE1-CB 3.54Å; F589-E648 HydrophobicContact CE1-CG 3.84Å; F589-E648 HydrophobicContact CZ-CB 4.23Å; F589-E648 HydrophobicContact CZ-CG 4.02Å; E648-K657 HydrophobicContact CB-CG 4.49Å; E648-K657 HydrophobicContact CG-CG 4.46Å; E648-K657 WeakPolarHBondContact O-CE 2.83Å; E648-K657 PolarHBondContact O-NZ 3.35Å; E648-K657 WeakPolarHBondContact OE2-CA 3.32Å; E648-K657 WeakPolarHBondContact OE2-CG 3.11Å; E648-L658 HydrophobicContact CB-CB 4.18Å; E648-L658 HydrophobicContact CB-CD1 4.32Å; E648-L658 HydrophobicContact CB-CG 4.37Å; E648-L658 PolarHBondContact OE2-N 2.87Å; E648-N681 PolarHBondContact OE1-ND2 2.72Å; E648-N681 PolarHBondContact OE2-ND2 2.6Å
649	I	97.3	Very high	95.9	Very high	41 Å²	41	51.2 Å²	51.2	21%	0.21	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	-24.4	174.9	58.2	166.9	0	0	0	111.3	E588 V590 Y620 K625 R647	E588-I649 HydrophobicContact CB-CD1 4.08Å; E588-I649 HydrophobicContact CB-CG1 3.78Å; E588-I649 WeakPolarHBondContact O-CG1 3.31Å; E588-I649 PolarHBondContact O-N 2.6Å; V590-I649 HydrophobicContact CG1-CD1 4.18Å; V590-I649 HydrophobicContact CG1-CG2 4.06Å; V590-I649 HydrophobicContact CG2-CG2 4.11Å; Y620-I649 HydrophobicContact CD2-CG2 4.08Å; K625-I649 HydrophobicContact CD-CD1 3.33Å; K625-I649 HydrophobicContact CG-CD1 4.18Å; K625-I649 VanDerWaalsContact NZ-CD1 3.25Å; R647-I649 PolarHBondContact O-N 2.85Å
650	K	97	Very high	95.8	Very high	102 Å²	102	57.1 Å²	57.1	44%	0.443	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	123.3	177.1	-176.4	-167.9	177.8	-179.4	0	110.1	A587 E588	A587-K650 WeakPolarHBondContact CA-O 3.34Å; E588-K650 HydrophobicContact CB-CB 4.04Å; E588-K650 HydrophobicContact CG-CB 4.19Å; E588-K650 HydrophobicContact CG-CD 3.98Å; E588-K650 PolarHBondContact N-O 2.99Å; E588-K650 PolarHBondContact O-N 3.07Å; E588-K650 WeakPolarHBondContact OE1-CD 3.25Å; E588-K650 IonicContact OE1-NZ 2.64Å; E588-K650 PolarHBondContact OE1-NZ 3.43Å
651	A	96.5	Very high	95.9	Very high	17 Å²	17	58.3 Å²	58.3	14%	0.14	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-72.3	156.3	175.2	0	0	0	0	0	112.2	F655 Q656 K657	A651-F655 WeakPolarHBondContact CB-O 3.21Å; A651-Q656 WeakPolarHBondContact CB-O 3.41Å; A651-K657 HydrophobicContact CB-CB 4.24Å
652	P	96.5	Very high	96.1	Very high	3 Å²	3	57.5 Å²	57.5	2%	0.019	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-54.4	154.1	165.8	-23.7	34	0	0	0	112.4	K575 L584 A587 G654 F655 N681	K575-P652 HydrophobicContact CG-CG 4.27Å; L584-P652 HydrophobicContact CB-CB 4.04Å; L584-P652 HydrophobicContact CB-CG 3.81Å; L584-P652 HydrophobicContact CD1-CB 4.35Å; L584-P652 HydrophobicContact CD1-CG 4.07Å; A587-P652 HydrophobicContact CB-CG 3.75Å; P652-G654 PolarHBondContact O-N 2.61Å; P652-F655 HydrophobicContact CB-CB 4.32Å; P652-F655 HydrophobicContact CB-CD2 3.81Å; P652-F655 HydrophobicContact CB-CG 4.31Å; P652-F655 PolarHBondContact O-N 2.83Å; P652-N681 WeakPolarHBondContact CD-ND2 3.5Å
653	N	93.3	Very high	96.2	Very high	154 Å²	154	62.1 Å²	62.1	82%	0.824	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	123.8	177.8	-73.5	-33.8	0	0	0	111.4	F655	N653-F655 WeakPolarHBondContact O-CD2 3.45Å
654	G	91.9	Very high	96.3	Very high	47 Å²	47	56.5 Å²	56.5	49%	0.485	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.3	-4.1	-178.3	0	0	0	0	0	115	P652 K684	P652-G654 PolarHBondContact O-N 2.61Å; G654-K684 WeakPolarHBondContact O-CB 3.01Å; G654-K684 PolarHBondContact O-N 2.81Å
655	F	93.5	Very high	96.2	Very high	22 Å²	22	60.7 Å²	60.7	10%	0.096	32%	0.321	C	S	.	.	B	Isolated β-bridge	trans	-111.9	152.2	-175.4	-68.2	-91.9	0	0	0	112.9	E577 L584 A651 P652 N653 N681 K684	E577-F655 HydrophobicContact CB-CE1 3.67Å; E577-F655 HydrophobicContact CB-CZ 3.99Å; E577-F655 HydrophobicContact CG-CE1 3.67Å; E577-F655 HydrophobicContact CG-CZ 4.21Å; L584-F655 HydrophobicContact CD1-CD1 3.74Å; L584-F655 HydrophobicContact CD1-CD2 3.9Å; L584-F655 HydrophobicContact CD1-CE1 3.6Å; L584-F655 HydrophobicContact CD1-CE2 3.76Å; L584-F655 HydrophobicContact CD1-CG 3.9Å; L584-F655 HydrophobicContact CD1-CZ 3.61Å; L584-F655 HydrophobicContact CD2-CD2 4.37Å; L584-F655 HydrophobicContact CD2-CE1 4.29Å; L584-F655 HydrophobicContact CD2-CE2 3.53Å; L584-F655 HydrophobicContact CD2-CZ 3.48Å; L584-F655 VanDerWaalsContact CD2-CZ 3.48Å; L584-F655 HydrophobicContact CG-CE2 4.26Å; L584-F655 HydrophobicContact CG-CZ 4.2Å; A651-F655 WeakPolarHBondContact CB-O 3.21Å; P652-F655 HydrophobicContact CB-CB 4.32Å; P652-F655 HydrophobicContact CB-CD2 3.81Å; P652-F655 HydrophobicContact CB-CG 4.31Å; P652-F655 PolarHBondContact O-N 2.83Å; N653-F655 WeakPolarHBondContact O-CD2 3.45Å; F655-N681 HydrophobicContact CB-CB 3.93Å; F655-N681 HydrophobicContact CD1-CB 3.92Å; F655-N681 HydrophobicContact CG-CB 4.24Å; F655-K684 WeakPolarHBondContact O-CE 3.47Å
656	Q	93.2	Very high	96	Very high	98 Å²	98	59.5 Å²	59.5	46%	0.458	32%	0.315	S	S	.	.	P	Polyproline II helix	trans	-74.3	149.9	173	-59.7	-178.7	46.7	0	0	109.4	A651 N681 S682 S683 K684	A651-Q656 WeakPolarHBondContact CB-O 3.41Å; Q656-N681 PolarHBondContact O-ND2 3.14Å; Q656-S682 PolarHBondContact N-O 2.99Å; Q656-S683 PolarHBondContact NE2-O 2.89Å; Q656-K684 HydrophobicContact CG-CB 4.43Å; Q656-K684 HydrophobicContact CG-CG 3.92Å
657	K	94.4	Very high	95.8	Very high	113 Å²	113	62.7 Å²	62.7	49%	0.491	33%	0.332	S	S	.	.	P	Polyproline II helix	trans	-75.5	140.7	173.2	-169.9	-169.2	172.7	-176.4	0	109.2	E648 A651	E648-K657 HydrophobicContact CB-CG 4.49Å; E648-K657 HydrophobicContact CG-CG 4.46Å; E648-K657 WeakPolarHBondContact O-CE 2.83Å; E648-K657 PolarHBondContact O-NZ 3.35Å; E648-K657 WeakPolarHBondContact OE2-CA 3.32Å; E648-K657 WeakPolarHBondContact OE2-CG 3.11Å; A651-K657 HydrophobicContact CB-CB 4.24Å
658	L	95.3	Very high	95.3	Very high	43 Å²	43	64.4 Å²	64.4	23%	0.225	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-57.5	138.3	170.1	-61.7	-178.2	0	0	0	110.4	F589 E648 V662 I679 A680 N681	F589-L658 HydrophobicContact CE1-CD1 4.19Å; E648-L658 HydrophobicContact CB-CB 4.18Å; E648-L658 HydrophobicContact CB-CD1 4.32Å; E648-L658 HydrophobicContact CB-CG 4.37Å; E648-L658 PolarHBondContact OE2-N 2.87Å; L658-V662 HydrophobicContact CD1-CG2 3.83Å; L658-I679 HydrophobicContact CD1-CG2 3.79Å; L658-A680 WeakPolarHBondContact CD2-O 3.12Å; L658-N681 WeakPolarHBondContact CD2-OD1 3.35Å
659	T	92.4	Very high	94.9	Very high	130 Å²	130	68.5 Å²	68.5	80%	0.798	36%	0.363	S	S	*	.	S	Bend	trans	-84.8	-36.3	175.8	44.5	0	0	0	0	112.1
660	D	95.6	Very high	94.7	Very high	123 Å²	123	66.9 Å²	66.9	66%	0.658	36%	0.355	S	S	*	.	S	Bend	trans	-110.5	152.8	-177.5	-51.1	-61.1	0	0	0	109.3
661	D	97.8	Very high	94.7	Very high	42 Å²	42	63.5 Å²	63.5	23%	0.225	34%	0.34	C	S	.	.			trans	-73.3	159.3	173.5	-65.7	-21.8	0	0	0	110.7	M645 L646 R647	M645-D661 HydrophobicContact CB-CB 4.15Å; M645-D661 HydrophobicContact SD-CB 4.31Å; L646-D661 WeakPolarHBondContact O-CA 3.45Å; R647-D661 VanDerWaalsContact CA-OD1 3.32Å; R647-D661 WeakPolarHBondContact CA-OD1 3.33Å; R647-D661 WeakPolarHBondContact CB-OD1 3.3Å; R647-D661 WeakPolarHBondContact CG-OD1 3.2Å; R647-D661 IonicContact CZ-OD1 3.77Å; R647-D661 IonicContact CZ-OD2 3.03Å; R647-D661 IonicContact NE-OD1 3.71Å; R647-D661 PolarHBondContact NE-OD1 2.84Å; R647-D661 IonicContact NE-OD2 3.89Å; R647-D661 PolarHBondContact NE-OD2 3.45Å; R647-D661 IonicContact NH2-OD2 3.62Å; R647-D661 PolarHBondContact NH2-OD2 2.8Å
662	V	98.2	Very high	94.3	Very high	30 Å²	30	65.2 Å²	65.2	18%	0.182	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	109.4	176.9	-177.8	0	0	0	0	109.1	M645 L646 L658 L677 I679	M645-V662 CarbonylContact C-O 3.48Å; M645-V662 WeakPolarHBondContact CA-O 3.29Å; L646-V662 HydrophobicContact CB-CB 4.26Å; L646-V662 PolarHBondContact N-O 2.78Å; L646-V662 PolarHBondContact O-N 3.03Å; L658-V662 HydrophobicContact CD1-CG2 3.83Å; V662-L677 HydrophobicContact CG1-CD2 4.11Å; V662-I679 HydrophobicContact CG1-CD1 4.44Å; V662-I679 HydrophobicContact CG1-CG1 4.28Å; V662-I679 HydrophobicContact CG2-CG2 4.06Å
663	D	98.4	Very high	93.7	Very high	123 Å²	123	73.1 Å²	73.1	66%	0.658	39%	0.389	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.6	140.2	173.9	-58.6	-44.6	0	0	0	111.3	M645	M645-D663 VanDerWaalsContact CG-OD1 3.3Å; M645-D663 WeakPolarHBondContact CG-OD1 3.47Å
664	F	98	Very high	93.5	Very high	9 Å²	9	67.5 Å²	67.5	4%	0.039	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	141.2	170.4	72.9	-86.6	0	0	0	112	K571 F573 V591 Y644 L646 I666 L677	K571-F664 HydrophobicContact CB-CD2 4.22Å; K571-F664 HydrophobicContact CB-CE2 4.39Å; K571-F664 HydrophobicContact CD-CB 3.68Å; K571-F664 HydrophobicContact CD-CD2 3.47Å; K571-F664 VanDerWaalsContact CD-CD2 3.47Å; K571-F664 HydrophobicContact CD-CE2 4.4Å; K571-F664 HydrophobicContact CD-CG 3.93Å; K571-F664 HydrophobicContact CG-CD2 4.49Å; F573-F664 HydrophobicContact CE1-CB 4.15Å; F573-F664 HydrophobicContact CE1-CD1 4.03Å; F573-F664 HydrophobicContact CE1-CD2 4.27Å; F573-F664 HydrophobicContact CE1-CE1 4.48Å; F573-F664 AromaticContact CE1-CG 3.89Å; F573-F664 HydrophobicContact CE1-CG 3.89Å; F573-F664 AromaticContact CZ-CD1 3.94Å; F573-F664 HydrophobicContact CZ-CD1 3.94Å; F573-F664 AromaticContact CZ-CD2 3.79Å; F573-F664 HydrophobicContact CZ-CD2 3.79Å; F573-F664 AromaticContact CZ-CE1 4Å; F573-F664 HydrophobicContact CZ-CE1 4Å; F573-F664 AromaticContact CZ-CE2 3.81Å; F573-F664 HydrophobicContact CZ-CE2 3.81Å; F573-F664 AromaticContact CZ-CG 3.81Å; F573-F664 HydrophobicContact CZ-CG 3.81Å; F573-F664 AromaticContact CZ-CZ 3.9Å; F573-F664 HydrophobicContact CZ-CZ 3.9Å; V591-F664 HydrophobicContact CG1-CE1 4.39Å; V591-F664 HydrophobicContact CG1-CZ 4Å; Y644-F664 VanDerWaalsContact CB-CE1 3.5Å; Y644-F664 HydrophobicContact CD2-CE2 4.12Å; Y644-F664 HydrophobicContact CD2-CZ 4.5Å; Y644-F664 HydrophobicContact CG-CE2 4.14Å; Y644-F664 HydrophobicContact CG-CZ 4.06Å; Y644-F664 PolarHBondContact N-O 2.9Å; Y644-F664 PolarHBondContact O-N 3.32Å; L646-F664 HydrophobicContact CD2-CE1 3.93Å; L646-F664 HydrophobicContact CG-CD1 3.92Å; L646-F664 HydrophobicContact CG-CE1 3.64Å; F664-I666 HydrophobicContact CD2-CG1 4.1Å; F664-I666 HydrophobicContact CE2-CD1 3.97Å; F664-I666 HydrophobicContact CE2-CG1 3.8Å; F664-L677 HydrophobicContact CB-CD2 3.86Å
665	E	96.6	Very high	93.5	Very high	102 Å²	102	71.7 Å²	71.7	48%	0.477	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	139.4	175	-172.9	175.1	-171.1	0	0	110.2	K571 D667	K571-E665 PolarHBondContact NZ-O 3.42Å; E665-D667 HydrophobicContact CG-CB 4.5Å
666	I	96	Very high	93.6	Very high	1 Å²	1	71.6 Å²	71.6	1%	0.005	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	117.4	164.2	-60.8	-178.3	0	0	0	107.3	L639 Y641 G642 Y644 F664	L639-I666 HydrophobicContact CB-CD1 3.7Å; L639-I666 HydrophobicContact CD1-CD1 3.84Å; L639-I666 HydrophobicContact CG-CD1 4.23Å; Y641-I666 CarbonylContact C-O 3.58Å; Y641-I666 WeakPolarHBondContact CA-O 3.3Å; Y641-I666 WeakPolarHBondContact CB-O 3.32Å; Y641-I666 HydrophobicContact CD1-CG2 3.86Å; Y641-I666 HydrophobicContact CE1-CG2 4.37Å; G642-I666 PolarHBondContact N-O 2.81Å; G642-I666 PolarHBondContact O-N 2.78Å; Y644-I666 HydrophobicContact CD2-CB 4.33Å; Y644-I666 HydrophobicContact CD2-CD1 3.84Å; Y644-I666 HydrophobicContact CD2-CG1 3.84Å; Y644-I666 HydrophobicContact CE2-CB 4.05Å; Y644-I666 HydrophobicContact CE2-CD1 3.7Å; Y644-I666 HydrophobicContact CE2-CG1 3.92Å; F664-I666 HydrophobicContact CD2-CG1 4.1Å; F664-I666 HydrophobicContact CE2-CD1 3.97Å; F664-I666 HydrophobicContact CE2-CG1 3.8Å
667	D	92.8	Very high	93.8	Very high	67 Å²	67	69.3 Å²	69.3	36%	0.358	37%	0.374	S	S	.	.			trans	-136.3	-176	176.8	63.9	0.3	0	0	0	110.3	E665 D669 S670	E665-D667 HydrophobicContact CG-CB 4.5Å; D667-D669 PolarHBondContact O-N 2.91Å; D667-S670 PolarHBondContact N-OG 2.71Å; D667-S670 VanDerWaalsContact N-OG 3.11Å; D667-S670 WeakPolarHBondContact O-CB 3.45Å; D667-S670 PolarHBondContact O-N 3.37Å; D667-S670 PolarHBondContact O-OG 3.06Å; D667-S670 WeakPolarHBondContact OD1-CB 3.46Å
668	K	89.1	Confident	93.9	Very high	81 Å²	81	67.8 Å²	67.8	35%	0.352	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	129.5	175.9	-168.1	179.8	-177.9	79.3	0	110.2	D539 Y641 S670	D539-K668 IonicContact OD1-NZ 3.27Å; D539-K668 PolarHBondContact OD1-NZ 3.48Å; D539-K668 VanDerWaalsContact OD1-NZ 3.11Å; D539-K668 IonicContact OD2-NZ 2.65Å; Y641-K668 HydrophobicContact CE2-CB 4.28Å; Y641-K668 WeakPolarHBondContact OH-CA 3.45Å; K668-S670 VanDerWaalsContact C-N 3.26Å; K668-S670 PolarHBondContact O-N 3.45Å
669	D	89.8	Confident	94	Very high	90 Å²	90	66 Å²	66	48%	0.481	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.4	16.7	-179.1	-53	-52	0	0	0	114.7	D537 D667 Y671 A674	D537-D669 VanDerWaalsContact OD2-C 3.24Å; D537-D669 WeakPolarHBondContact OD2-CA 3.34Å; D537-D669 PolarHBondContact OD2-N 3.43Å; D667-D669 PolarHBondContact O-N 2.91Å; D669-Y671 PolarHBondContact O-N 2.89Å; D669-A674 WeakPolarHBondContact O-CB 3.23Å
670	S	93.2	Very high	94.2	Very high	7 Å²	7	61.5 Å²	61.5	5%	0.049	34%	0.343	C	S	.	.	S	Bend	trans	-68.8	-15.6	173.2	48.7	0	0	0	0	114.5	D537 G570 D667 K668 A674	D537-S670 PolarHBondContact OD2-N 2.96Å; G570-S670 CarbonylContact O-C 3.54Å; G570-S670 WeakPolarHBondContact O-CB 3.42Å; G570-S670 PolarHBondContact O-OG 2.56Å; D667-S670 PolarHBondContact N-OG 2.71Å; D667-S670 VanDerWaalsContact N-OG 3.11Å; D667-S670 WeakPolarHBondContact O-CB 3.45Å; D667-S670 PolarHBondContact O-N 3.37Å; D667-S670 PolarHBondContact O-OG 3.06Å; D667-S670 WeakPolarHBondContact OD1-CB 3.46Å; K668-S670 VanDerWaalsContact C-N 3.26Å; K668-S670 PolarHBondContact O-N 3.45Å; S670-A674 WeakPolarHBondContact O-CB 3.31Å
671	Y	95.6	Very high	94	Very high	32 Å²	32	55.8 Å²	55.8	13%	0.125	31%	0.312	C	S	.	.	S	Bend	trans	-111.6	-52.8	-179.8	-174	-101.3	0	0	0	112.7	V536 D537 G570 K572 E635 T637 D669	V536-Y671 HydrophobicContact CB-CD1 3.65Å; V536-Y671 HydrophobicContact CB-CE1 3.83Å; V536-Y671 HydrophobicContact CB-CG 4.18Å; V536-Y671 HydrophobicContact CG1-CD1 3.57Å; V536-Y671 HydrophobicContact CG1-CD2 4.22Å; V536-Y671 HydrophobicContact CG1-CE1 4.15Å; V536-Y671 HydrophobicContact CG1-CG 3.58Å; V536-Y671 HydrophobicContact CG2-CE1 4.37Å; D537-Y671 VanDerWaalsContact OD2-CA 3.28Å; D537-Y671 WeakPolarHBondContact OD2-CA 3.42Å; D537-Y671 WeakPolarHBondContact OD2-CB 3.38Å; D537-Y671 PolarHBondContact OD2-N 2.59Å; G570-Y671 WeakPolarHBondContact O-CB 3.36Å; G570-Y671 PolarHBondContact O-N 2.76Å; K572-Y671 HydrophobicContact CD-CD2 4.42Å; K572-Y671 HydrophobicContact CD-CE2 4.29Å; K572-Y671 VanDerWaalsContact CE-CE2 3.48Å; K572-Y671 HydrophobicContact CG-CD2 3.93Å; K572-Y671 HydrophobicContact CG-CE2 3.8Å; K572-Y671 PolarHBondContact NZ-O 2.79Å; E635-Y671 HydrophobicContact CB-CE2 4.12Å; E635-Y671 VanDerWaalsContact CD-OH 3.23Å; E635-Y671 HydrophobicContact CG-CE2 4.38Å; E635-Y671 PolarHBondContact OE1-OH 3.34Å; E635-Y671 WeakPolarHBondContact OE2-CE2 3.39Å; E635-Y671 PolarHBondContact OE2-OH 3.15Å; E635-Y671 VanDerWaalsContact OE2-OH 3.04Å; T637-Y671 HydrophobicContact CG2-CD2 4Å; T637-Y671 HydrophobicContact CG2-CE2 3.33Å; D669-Y671 PolarHBondContact O-N 2.89Å
672	N	89.4	Confident	93.7	Very high	53 Å²	53	56.9 Å²	56.9	28%	0.283	32%	0.323	S	S	.	.	S	Bend	trans	-81.3	131.7	-179.2	-79.4	-21.9	0	0	0	110.3	V536 D537 A674	V536-N672 PolarHBondContact O-ND2 2.87Å; D537-N672 HydrophobicContact CB-CB 3.79Å; D537-N672 WeakPolarHBondContact CB-ND2 3.27Å; D537-N672 PolarHBondContact O-ND2 2.86Å; D537-N672 PolarHBondContact OD2-N 2.83Å; N672-A674 PolarHBondContact O-N 2.76Å
673	N	82.7	Confident	93.1	Very high	168 Å²	168	57.2 Å²	57.2	90%	0.898	33%	0.327	S	S	*	.	S	Bend	trans	59.3	-0.1	-176.2	-53.6	-45.9	0	0	0	116.1
674	A	89.7	Confident	92.3	Very high	36 Å²	36	58.4 Å²	58.4	30%	0.298	33%	0.326	S	S	.	.	P	Polyproline II helix	trans	-74.9	144.5	174.1	0	0	0	0	0	113.1	D669 S670 N672	D669-A674 WeakPolarHBondContact O-CB 3.23Å; S670-A674 WeakPolarHBondContact O-CB 3.31Å; N672-A674 PolarHBondContact O-N 2.76Å
675	T	92.5	Very high	90.8	Very high	136 Å²	136	60.6 Å²	60.6	83%	0.834	35%	0.352	S	S	*	.	P	Polyproline II helix	trans	-73.2	131.1	165.9	52.3	0	0	0	0	109.9	L677	T675-L677 PolarHBondContact O-N 3.46Å
676	A	96.1	Very high	88.8	Confident	20 Å²	20	58.2 Å²	58.2	17%	0.165	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-58.1	134.4	176.4	0	0	0	0	0	111.8	K572 F574 P678	K572-A676 HydrophobicContact CB-CB 3.8Å; K572-A676 CarbonylContact O-C 3.51Å; K572-A676 WeakPolarHBondContact O-CA 3.47Å; F574-A676 HydrophobicContact CB-CB 4.09Å; A676-P678 WeakPolarHBondContact O-CD 3.42Å
677	L	96.7	Very high	86.8	Confident	50 Å²	50	64.5 Å²	64.5	26%	0.262	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	118.3	-179.5	-179	68.9	0	0	0	110.4	K572 F573 F574 V662 F664 T675	K572-L677 PolarHBondContact O-N 2.86Å; F573-L677 WeakPolarHBondContact CA-O 3.41Å; F573-L677 HydrophobicContact CD1-CB 3.9Å; F573-L677 HydrophobicContact CD1-CD2 4Å; F573-L677 HydrophobicContact CD1-CG 4.42Å; F573-L677 HydrophobicContact CE1-CB 4.33Å; F573-L677 HydrophobicContact CE1-CD2 3.84Å; F574-L677 PolarHBondContact N-O 3.17Å; V662-L677 HydrophobicContact CG1-CD2 4.11Å; F664-L677 HydrophobicContact CB-CD2 3.86Å; T675-L677 PolarHBondContact O-N 3.46Å
678	P	96.6	Very high	84.8	Confident	80 Å²	80	68.5 Å²	68.5	52%	0.519	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	134.1	178.5	26.8	-33.8	0	0	0	112.3	F574 H576 A676	F574-P678 CarbonylContact O-C 3.52Å; F574-P678 WeakPolarHBondContact O-CA 3.37Å; H576-P678 WeakPolarHBondContact NE2-CB 3.19Å; A676-P678 WeakPolarHBondContact O-CD 3.42Å
679	I	97.4	Very high	82.6	Confident	5 Å²	5	69.6 Å²	69.6	3%	0.026	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	106.6	176.8	-55.6	174.1	0	0	0	108.8	F573 F574 K575 H576 F589 F634 L646 L658 V662	F573-I679 HydrophobicContact CB-CD1 4.18Å; F573-I679 HydrophobicContact CD1-CD1 3.89Å; F573-I679 HydrophobicContact CG-CD1 4.35Å; F574-I679 PolarHBondContact O-N 2.9Å; K575-I679 WeakPolarHBondContact CA-O 3.28Å; K575-I679 HydrophobicContact CD-CB 4.27Å; K575-I679 HydrophobicContact CD-CG2 4.08Å; K575-I679 PolarHBondContact NZ-O 3.45Å; H576-I679 PolarHBondContact N-O 2.85Å; F589-I679 HydrophobicContact CE1-CG2 4.4Å; F589-I679 HydrophobicContact CZ-CD1 4.3Å; F589-I679 HydrophobicContact CZ-CG2 3.98Å; F634-I679 HydrophobicContact CE1-CD1 4.38Å; F634-I679 HydrophobicContact CZ-CD1 3.87Å; L646-I679 HydrophobicContact CD1-CD1 3.58Å; L658-I679 HydrophobicContact CD1-CG2 3.79Å; V662-I679 HydrophobicContact CG1-CD1 4.44Å; V662-I679 HydrophobicContact CG1-CG1 4.28Å; V662-I679 HydrophobicContact CG2-CG2 4.06Å
680	A	95.3	Very high	80.5	Confident	37 Å²	37	69.4 Å²	69.4	31%	0.306	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	136.4	-176	0	0	0	0	0	112.4	H576 D578 L658	H576-A680 WeakPolarHBondContact O-CA 3.38Å; D578-A680 HydrophobicContact CB-CB 4.15Å; L658-A680 WeakPolarHBondContact CD2-O 3.12Å
681	N	92.2	Very high	78.3	Confident	2 Å²	2	75.1 Å²	75.1	1%	0.011	47%	0.469	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	146.1	163.1	-76.4	26.1	0	0	0	110.2	K575 H576 D578 E648 P652 F655 Q656 L658	K575-N681 WeakPolarHBondContact CE-OD1 3.27Å; K575-N681 PolarHBondContact NZ-OD1 3.06Å; H576-N681 PolarHBondContact O-N 2.84Å; D578-N681 PolarHBondContact N-O 2.83Å; D578-N681 VanDerWaalsContact N-O 3.12Å; E648-N681 PolarHBondContact OE1-ND2 2.72Å; E648-N681 PolarHBondContact OE2-ND2 2.6Å; P652-N681 WeakPolarHBondContact CD-ND2 3.5Å; F655-N681 HydrophobicContact CB-CB 3.93Å; F655-N681 HydrophobicContact CD1-CB 3.92Å; F655-N681 HydrophobicContact CG-CB 4.24Å; Q656-N681 PolarHBondContact O-ND2 3.14Å; L658-N681 WeakPolarHBondContact CD2-OD1 3.35Å
682	S	90.8	Very high	76.1	Confident	65 Å²	65	75.5 Å²	75.5	46%	0.455	48%	0.483	S	S	.	.			trans	-84	140.9	169.2	-47.9	0	0	0	0	111	Q656	Q656-S682 PolarHBondContact N-O 2.99Å
683	S	85.5	Confident	74.4	Confident	37 Å²	37	74.5 Å²	74.5	26%	0.259	49%	0.485	S	S	.	.	B	Isolated β-bridge	trans	-62.7	149.7	173.9	63.4	0	0	0	0	111.3	Q656 G685	Q656-S683 PolarHBondContact NE2-O 2.89Å; S683-G685 PolarHBondContact O-N 2.94Å; S683-G685 VanDerWaalsContact O-N 3.14Å
684	K	82.4	Confident	73	Confident	148 Å²	148	74.5 Å²	74.5	64%	0.643	48%	0.482	S	S	*	.	S	Bend	trans	-62.5	-17.1	173.6	-71.5	-178.9	-178.5	-178.9	0	112.3	G654 F655 Q656	G654-K684 WeakPolarHBondContact O-CB 3.01Å; G654-K684 PolarHBondContact O-N 2.81Å; F655-K684 WeakPolarHBondContact O-CE 3.47Å; Q656-K684 HydrophobicContact CG-CB 4.43Å; Q656-K684 HydrophobicContact CG-CG 3.92Å
685	G	66.1	Low	71.6	Confident	56 Å²	56	75.1 Å²	75.1	58%	0.577	49%	0.491	S	S	*	.			trans	-108.5	61.9	179.8	0	0	0	0	0	112.1	S683 T687	S683-G685 PolarHBondContact O-N 2.94Å; S683-G685 VanDerWaalsContact O-N 3.14Å; G685-T687 PolarHBondContact O-N 2.91Å
686	G	55.5	Low	70.4	Confident	52 Å²	52	72.1 Å²	72.1	54%	0.536	47%	0.47	S	S	.	.			trans	-54.8	128.2	147	0	0	0	0	0	106	L688	G686-L688 VanDerWaalsContact C-N 3.32Å; G686-L688 PolarHBondContact O-N 2.66Å
687	T	53.9	Low	69.2	Low	133 Å²	133	75.8 Å²	75.8	82%	0.816	49%	0.486	S	S	*	.			trans	-49.2	108.2	169.6	52	0	0	0	0	105.4	G685 P689	G685-T687 PolarHBondContact O-N 2.91Å; T687-P689 WeakPolarHBondContact O-CD 3.41Å
688	L	50	Low	68	Low	151 Å²	151	75.8 Å²	75.8	79%	0.791	49%	0.492	S	S	*	.			trans	-47	122.7	160.8	-75.2	168.6	0	0	0	102.5	G686 S690	G686-L688 VanDerWaalsContact C-N 3.32Å; G686-L688 PolarHBondContact O-N 2.66Å; L688-S690 VanDerWaalsContact C-N 3.31Å; L688-S690 PolarHBondContact O-N 2.69Å
689	P	44	Very low	67.2	Low	103 Å²	103	79.5 Å²	79.5	67%	0.669	50%	0.501	S	S	*	.			trans	-47.9	116.2	168.9	19.8	-29.6	0	0	0	102.8	T687 T691	T687-P689 WeakPolarHBondContact O-CD 3.41Å; P689-T691 PolarHBondContact O-N 3.3Å
690	S	45.5	Very low	66.6	Low	87 Å²	87	83.6 Å²	83.6	61%	0.608	52%	0.522	S	S	*	.			trans	-61.6	98.4	-173.4	-179.7	0	0	0	0	103.7	L688 G692 G693	L688-S690 VanDerWaalsContact C-N 3.31Å; L688-S690 PolarHBondContact O-N 2.69Å; S690-G692 PolarHBondContact O-N 2.78Å; S690-G693 PolarHBondContact O-N 2.88Å; S690-G693 PolarHBondContact OG-N 3.02Å
691	T	45.7	Very low	66	Low	126 Å²	126	86.2 Å²	86.2	77%	0.773	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	0.8	173.1	47	0	0	0	0	108.8	P689	P689-T691 PolarHBondContact O-N 3.3Å
692	G	51.2	Low	65.5	Low	41 Å²	41	91.1 Å²	91.1	42%	0.423	56%	0.559	S	S	.	*	T	Hydrogen-bonded Turn	trans	-111.1	13.7	163	0	0	0	0	0	116.5	S690	S690-G692 PolarHBondContact O-N 2.78Å
693	G	52.5	Low	65.3	Low	31 Å²	31	89.5 Å²	89.5	32%	0.32	55%	0.552	S	S	.	*	S	Bend	trans	-61	168.1	167.2	0	0	0	0	0	110.8	S690 G695 I696	S690-G693 PolarHBondContact O-N 2.88Å; S690-G693 PolarHBondContact OG-N 3.02Å; G693-G695 CarbonylContact O-C 3.51Å; G693-G695 PolarHBondContact O-N 3.19Å; G693-I696 PolarHBondContact O-N 3.34Å
694	M	53.9	Low	65.4	Low	169 Å²	169	93 Å²	93	83%	0.833	57%	0.568	S	S	*	*	H	α-helix	trans	-44.3	-20.9	-170.2	-73.3	-175	-168.3	0	0	116.5	I697 A698	M694-I697 WeakPolarHBondContact O-CB 3.26Å; M694-I697 PolarHBondContact O-N 3.39Å; M694-A698 PolarHBondContact O-N 2.73Å; M694-A698 VanDerWaalsContact O-N 3.13Å
695	G	59.4	Low	65.7	Low	48 Å²	48	87.9 Å²	87.9	50%	0.495	56%	0.557	S	S	.	*	H	α-helix	trans	-55.2	-43.4	168.1	0	0	0	0	0	114.8	G693 I697 A698 F699	G693-G695 CarbonylContact O-C 3.51Å; G693-G695 PolarHBondContact O-N 3.19Å; G695-I697 VanDerWaalsContact C-N 3.31Å; G695-I697 PolarHBondContact O-N 2.72Å; G695-A698 WeakPolarHBondContact O-CB 3.47Å; G695-A698 PolarHBondContact O-N 3.22Å; G695-F699 VanDerWaalsContact O-CD2 3.28Å; G695-F699 WeakPolarHBondContact O-CD2 3.06Å; G695-F699 PolarHBondContact O-N 3.05Å
696	I	68.3	Low	67.1	Low	74 Å²	74	90.9 Å²	90.9	38%	0.379	56%	0.559	S	S	.	*	H	α-helix	trans	-69.7	-32.3	177.2	-149.5	166.1	0	0	0	111.4	G693 A698 F699 I700	G693-I696 PolarHBondContact O-N 3.34Å; I696-A698 PolarHBondContact O-N 3.48Å; I696-F699 PolarHBondContact O-N 3.14Å; I696-F699 VanDerWaalsContact O-N 3.15Å; I696-I700 HydrophobicContact CG1-CD1 4.19Å; I696-I700 HydrophobicContact CG1-CG1 4.38Å; I696-I700 HydrophobicContact CG2-CD1 4.2Å; I696-I700 WeakPolarHBondContact O-CB 3.44Å; I696-I700 WeakPolarHBondContact O-CG1 3.35Å; I696-I700 PolarHBondContact O-N 2.99Å
697	I	70.7	Confident	68.8	Low	97 Å²	97	94.2 Å²	94.2	50%	0.497	56%	0.562	S	S	.	*	H	α-helix	trans	-61.1	-40.2	175.3	-62	-175.5	0	0	0	109.2	M694 G695 I700 V701	M694-I697 WeakPolarHBondContact O-CB 3.26Å; M694-I697 PolarHBondContact O-N 3.39Å; G695-I697 VanDerWaalsContact C-N 3.31Å; G695-I697 PolarHBondContact O-N 2.72Å; I697-I700 PolarHBondContact O-N 2.83Å; I697-V701 HydrophobicContact CG2-CG2 4.02Å; I697-V701 VanDerWaalsContact O-CB 3.29Å; I697-V701 WeakPolarHBondContact O-CB 3.44Å; I697-V701 WeakPolarHBondContact O-CG2 3.34Å; I697-V701 PolarHBondContact O-N 2.81Å
698	A	72	Confident	70.3	Confident	49 Å²	49	90.3 Å²	90.3	41%	0.405	54%	0.544	S	S	.	.	H	α-helix	trans	-60.2	-46.7	173.5	0	0	0	0	0	112	M694 G695 I696 V701 I702	M694-A698 PolarHBondContact O-N 2.73Å; M694-A698 VanDerWaalsContact O-N 3.13Å; G695-A698 WeakPolarHBondContact O-CB 3.47Å; G695-A698 PolarHBondContact O-N 3.22Å; I696-A698 PolarHBondContact O-N 3.48Å; A698-V701 PolarHBondContact O-N 3.26Å; A698-I702 WeakPolarHBondContact O-CB 3.37Å; A698-I702 WeakPolarHBondContact O-CD1 3.5Å; A698-I702 WeakPolarHBondContact O-CG1 3.49Å; A698-I702 PolarHBondContact O-N 3.13Å
699	F	78.5	Confident	72.1	Confident	159 Å²	159	86 Å²	86	70%	0.697	53%	0.53	S	S	*	.	H	α-helix	trans	-64.1	-41	176.6	-76.7	-72.5	0	0	0	113.3	G695 I696 G703	G695-F699 VanDerWaalsContact O-CD2 3.28Å; G695-F699 WeakPolarHBondContact O-CD2 3.06Å; G695-F699 PolarHBondContact O-N 3.05Å; I696-F699 PolarHBondContact O-N 3.14Å; I696-F699 VanDerWaalsContact O-N 3.15Å; F699-G703 PolarHBondContact O-N 3.05Å
700	I	85.2	Confident	74.2	Confident	91 Å²	91	83.9 Å²	83.9	47%	0.467	52%	0.521	S	S	.	.	H	α-helix	trans	-67.1	-43.4	177.8	-69.6	170.8	0	0	0	110.6	I696 I697 G703 L704	I696-I700 HydrophobicContact CG1-CD1 4.19Å; I696-I700 HydrophobicContact CG1-CG1 4.38Å; I696-I700 HydrophobicContact CG2-CD1 4.2Å; I696-I700 WeakPolarHBondContact O-CB 3.44Å; I696-I700 WeakPolarHBondContact O-CG1 3.35Å; I696-I700 PolarHBondContact O-N 2.99Å; I697-I700 PolarHBondContact O-N 2.83Å; I700-G703 PolarHBondContact O-N 2.93Å; I700-L704 HydrophobicContact CG2-CD1 3.77Å; I700-L704 HydrophobicContact CG2-CG 4.25Å; I700-L704 WeakPolarHBondContact O-CB 3.47Å; I700-L704 VanDerWaalsContact O-CG 3.28Å; I700-L704 WeakPolarHBondContact O-CG 3.48Å; I700-L704 PolarHBondContact O-N 3.2Å
701	V	82.7	Confident	76.2	Confident	91 Å²	91	84.1 Å²	84.1	55%	0.552	52%	0.515	S	S	*	.	H	α-helix	trans	-64.8	-42.9	177.6	170.3	0	0	0	0	110.9	I697 A698 L704 G705	I697-V701 HydrophobicContact CG2-CG2 4.02Å; I697-V701 VanDerWaalsContact O-CB 3.29Å; I697-V701 WeakPolarHBondContact O-CB 3.44Å; I697-V701 WeakPolarHBondContact O-CG2 3.34Å; I697-V701 PolarHBondContact O-N 2.81Å; A698-V701 PolarHBondContact O-N 3.26Å; V701-L704 PolarHBondContact O-N 3.46Å; V701-G705 PolarHBondContact O-N 2.95Å
702	I	82.7	Confident	78	Confident	105 Å²	105	82.7 Å²	82.7	54%	0.538	51%	0.505	S	S	.	.	H	α-helix	trans	-62.3	-46.2	174	-69.1	165.6	0	0	0	110.3	A698 G705 L706	A698-I702 WeakPolarHBondContact O-CB 3.37Å; A698-I702 WeakPolarHBondContact O-CD1 3.5Å; A698-I702 WeakPolarHBondContact O-CG1 3.49Å; A698-I702 PolarHBondContact O-N 3.13Å; I702-G705 PolarHBondContact O-N 2.84Å; I702-L706 HydrophobicContact CG2-CD1 4.03Å; I702-L706 HydrophobicContact CG2-CG 4.47Å; I702-L706 WeakPolarHBondContact O-CG 3.4Å; I702-L706 PolarHBondContact O-N 3.11Å
703	G	85	Confident	79.5	Confident	31 Å²	31	90 Å²	90	32%	0.32	52%	0.52	S	S	.	.	H	α-helix	trans	-60.9	-45.6	178	0	0	0	0	0	112.9	F699 I700 L706 M707	F699-G703 PolarHBondContact O-N 3.05Å; I700-G703 PolarHBondContact O-N 2.93Å; G703-L706 PolarHBondContact O-N 2.74Å; G703-M707 WeakPolarHBondContact O-CB 3.37Å; G703-M707 VanDerWaalsContact O-CG 3.24Å; G703-M707 WeakPolarHBondContact O-CG 3.25Å; G703-M707 PolarHBondContact O-N 3.33Å
704	L	89.2	Confident	80.9	Confident	111 Å²	111	95.4 Å²	95.4	58%	0.581	53%	0.532	S	S	*	.	H	α-helix	trans	-65.8	-37.7	175.6	-73.4	172.8	0	0	0	111.9	I700 V701 M707 A708	I700-L704 HydrophobicContact CG2-CD1 3.77Å; I700-L704 HydrophobicContact CG2-CG 4.25Å; I700-L704 WeakPolarHBondContact O-CB 3.47Å; I700-L704 VanDerWaalsContact O-CG 3.28Å; I700-L704 WeakPolarHBondContact O-CG 3.48Å; I700-L704 PolarHBondContact O-N 3.2Å; V701-L704 PolarHBondContact O-N 3.46Å; L704-M707 PolarHBondContact O-N 2.95Å; L704-A708 WeakPolarHBondContact O-CB 3.2Å; L704-A708 PolarHBondContact O-N 3.25Å
705	G	88.6	Confident	82.1	Confident	41 Å²	41	95.2 Å²	95.2	42%	0.423	52%	0.522	S	S	.	.	H	α-helix	trans	-63.2	-45	174.3	0	0	0	0	0	112.4	V701 I702 A708 A709	V701-G705 PolarHBondContact O-N 2.95Å; I702-G705 PolarHBondContact O-N 2.84Å; G705-A708 PolarHBondContact O-N 3.13Å; G705-A709 WeakPolarHBondContact O-CB 3.49Å; G705-A709 PolarHBondContact O-N 2.88Å
706	L	95.1	Very high	82.8	Confident	118 Å²	118	101.2 Å²	101.2	62%	0.618	53%	0.529	S	S	*	.	H	α-helix	trans	-62.9	-41.7	174.8	-72.6	171.1	0	0	0	111.6	I702 G703 A709 A710	I702-L706 HydrophobicContact CG2-CD1 4.03Å; I702-L706 HydrophobicContact CG2-CG 4.47Å; I702-L706 WeakPolarHBondContact O-CG 3.4Å; I702-L706 PolarHBondContact O-N 3.11Å; G703-L706 PolarHBondContact O-N 2.74Å; L706-A709 PolarHBondContact O-N 3.05Å; L706-A710 WeakPolarHBondContact O-CB 3.34Å; L706-A710 PolarHBondContact O-N 3.35Å
707	M	90.3	Very high	83	Confident	122 Å²	122	102 Å²	102	60%	0.601	54%	0.538	S	S	*	.	H	α-helix	trans	-62.7	-45	175	-75.6	-87.8	-78.3	0	0	112	G703 L704 A710 I711	G703-M707 WeakPolarHBondContact O-CB 3.37Å; G703-M707 VanDerWaalsContact O-CG 3.24Å; G703-M707 WeakPolarHBondContact O-CG 3.25Å; G703-M707 PolarHBondContact O-N 3.33Å; L704-M707 PolarHBondContact O-N 2.95Å; M707-A710 PolarHBondContact O-N 3.3Å; M707-I711 VanDerWaalsContact O-CG1 3.32Å; M707-I711 WeakPolarHBondContact O-CG1 3.35Å; M707-I711 PolarHBondContact O-N 3.31Å
708	A	85.6	Confident	82.4	Confident	52 Å²	52	105.6 Å²	105.6	43%	0.43	55%	0.545	S	S	.	.	H	α-helix	trans	-63.1	-43.6	177	0	0	0	0	0	111.7	L704 G705 A710 I711 V712	L704-A708 WeakPolarHBondContact O-CB 3.2Å; L704-A708 PolarHBondContact O-N 3.25Å; G705-A708 PolarHBondContact O-N 3.13Å; A708-A710 VanDerWaalsContact C-N 3.32Å; A708-A710 PolarHBondContact O-N 3.39Å; A708-I711 PolarHBondContact O-N 3.35Å; A708-V712 WeakPolarHBondContact O-CG2 3.27Å; A708-V712 PolarHBondContact O-N 2.86Å
709	A	87.7	Confident	81.5	Confident	60 Å²	60	111.4 Å²	111.4	50%	0.496	56%	0.562	S	S	.	*	H	α-helix	trans	-61.2	-41.1	175.2	0	0	0	0	0	111.8	G705 L706 V712 R713	G705-A709 WeakPolarHBondContact O-CB 3.49Å; G705-A709 PolarHBondContact O-N 2.88Å; L706-A709 PolarHBondContact O-N 3.05Å; A709-V712 PolarHBondContact O-N 3.05Å; A709-R713 WeakPolarHBondContact O-CB 3.02Å; A709-R713 PolarHBondContact O-N 3.46Å
710	A	88.2	Confident	80	Confident	59 Å²	59	111.1 Å²	111.1	49%	0.488	56%	0.562	S	S	.	*	H	α-helix	trans	-63.9	-43	175.4	0	0	0	0	0	112.2	L706 M707 A708 R713 Y714	L706-A710 WeakPolarHBondContact O-CB 3.34Å; L706-A710 PolarHBondContact O-N 3.35Å; M707-A710 PolarHBondContact O-N 3.3Å; A708-A710 VanDerWaalsContact C-N 3.32Å; A708-A710 PolarHBondContact O-N 3.39Å; A710-R713 PolarHBondContact O-N 3.2Å; A710-Y714 VanDerWaalsContact O-CB 3.27Å; A710-Y714 WeakPolarHBondContact O-CB 3.4Å; A710-Y714 PolarHBondContact O-N 3.1Å
711	I	86.9	Confident	77.9	Confident	92 Å²	92	115.3 Å²	115.3	47%	0.472	59%	0.592	S	S	.	*	H	α-helix	trans	-64.4	-43.9	177.2	-69.5	165.9	0	0	0	111.3	M707 A708 Y714 R715	M707-I711 VanDerWaalsContact O-CG1 3.32Å; M707-I711 WeakPolarHBondContact O-CG1 3.35Å; M707-I711 PolarHBondContact O-N 3.31Å; A708-I711 PolarHBondContact O-N 3.35Å; I711-Y714 PolarHBondContact O-N 2.89Å; I711-R715 PolarHBondContact O-N 2.85Å
712	V	84.6	Confident	77.6	Confident	95 Å²	95	116.6 Å²	116.6	58%	0.576	59%	0.594	S	S	*	*	H	α-helix	trans	-62.2	-45.3	176.8	170.7	0	0	0	0	110.4	A708 A709 R715 R716	A708-V712 WeakPolarHBondContact O-CG2 3.27Å; A708-V712 PolarHBondContact O-N 2.86Å; A709-V712 PolarHBondContact O-N 3.05Å; V712-R715 PolarHBondContact O-N 3.17Å; V712-R716 PolarHBondContact O-N 3.38Å
713	R	83.1	Confident	77.4	Confident	195 Å²	195	117.2 Å²	117.2	74%	0.736	60%	0.597	S	S	*	*	H	α-helix	trans	-62.2	-44.8	175.9	-170.1	-179.2	-177.8	-173.9	1	111.7	A709 A710 R715 R716 V717	A709-R713 WeakPolarHBondContact O-CB 3.02Å; A709-R713 PolarHBondContact O-N 3.46Å; A710-R713 PolarHBondContact O-N 3.2Å; R713-R715 PolarHBondContact O-N 3.12Å; R713-R716 PolarHBondContact O-N 3.06Å; R713-V717 WeakPolarHBondContact O-CG2 3.45Å; R713-V717 PolarHBondContact O-N 3.31Å; R713-V717 VanDerWaalsContact O-N 3.1Å
714	Y	80.7	Confident	76.9	Confident	145 Å²	145	121.9 Å²	121.9	57%	0.569	61%	0.612	S	S	*	*	H	α-helix	trans	-60.3	-43.6	177.9	179.8	-96.5	0	0	0	112.2	A710 I711 R718	A710-Y714 VanDerWaalsContact O-CB 3.27Å; A710-Y714 WeakPolarHBondContact O-CB 3.4Å; A710-Y714 PolarHBondContact O-N 3.1Å; I711-Y714 PolarHBondContact O-N 2.89Å; Y714-R718 HydrophobicContact CE1-CG 4.28Å; Y714-R718 PolarHBondContact O-N 2.99Å
715	R	80.6	Confident	76.2	Confident	165 Å²	165	122.6 Å²	122.6	62%	0.623	61%	0.614	S	S	*	*	H	α-helix	trans	-64.4	-43.4	175.3	-77.3	-175.9	170.7	-177.3	-1.8	112	I711 V712 R713 V717 R718 F719	I711-R715 PolarHBondContact O-N 2.85Å; V712-R715 PolarHBondContact O-N 3.17Å; R713-R715 PolarHBondContact O-N 3.12Å; R715-V717 VanDerWaalsContact C-N 3.34Å; R715-V717 PolarHBondContact O-N 2.85Å; R715-R718 PolarHBondContact O-N 3.31Å; R715-R718 VanDerWaalsContact O-N 3.14Å; R715-F719 HydrophobicContact CB-CD2 4.49Å; R715-F719 WeakPolarHBondContact O-CD2 3.49Å; R715-F719 PolarHBondContact O-N 3.12Å; R715-F719 VanDerWaalsContact O-N 3.16Å
716	R	73.1	Confident	75.4	Confident	173 Å²	173	127.7 Å²	127.7	65%	0.653	63%	0.626	S	S	*	*	H	α-helix	trans	-61.2	-43.1	-179.2	-147.4	176.7	-166.4	164.1	4.7	112	V712 R713 R718 F719 E720	V712-R716 PolarHBondContact O-N 3.38Å; R713-R716 PolarHBondContact O-N 3.06Å; R716-R718 VanDerWaalsContact C-N 3.29Å; R716-R718 PolarHBondContact O-N 3.21Å; R716-F719 PolarHBondContact O-N 3.23Å; R716-E720 PolarHBondContact O-N 3.13Å; R716-E720 VanDerWaalsContact O-N 3.14Å
717	V	71.5	Confident	74.1	Confident	92 Å²	92	128.3 Å²	128.3	56%	0.558	63%	0.627	S	S	*	*	H	α-helix	trans	-65.4	-31.3	176.8	177.6	0	0	0	0	112.3	R713 R715	R713-V717 WeakPolarHBondContact O-CG2 3.45Å; R713-V717 PolarHBondContact O-N 3.31Å; R713-V717 VanDerWaalsContact O-N 3.1Å; R715-V717 VanDerWaalsContact C-N 3.34Å; R715-V717 PolarHBondContact O-N 2.85Å
718	R	58.1	Low	73	Confident	171 Å²	171	128.8 Å²	128.8	65%	0.645	63%	0.628	S	S	*	*	H	α-helix	trans	-78.9	-20.8	178.6	-88	-75.6	-136.7	175.8	5.4	114.9	Y714 R715 R716	Y714-R718 HydrophobicContact CE1-CG 4.28Å; Y714-R718 PolarHBondContact O-N 2.99Å; R715-R718 PolarHBondContact O-N 3.31Å; R715-R718 VanDerWaalsContact O-N 3.14Å; R716-R718 VanDerWaalsContact C-N 3.29Å; R716-R718 PolarHBondContact O-N 3.21Å
719	F	54.7	Low	72	Confident	172 Å²	172	134.7 Å²	134.7	75%	0.754	64%	0.644	S	S	*	*	H	α-helix	trans	-106.5	-3.8	179.6	-70.1	-70.1	0	0	0	113.5	R715 R716	R715-F719 HydrophobicContact CB-CD2 4.49Å; R715-F719 WeakPolarHBondContact O-CD2 3.49Å; R715-F719 PolarHBondContact O-N 3.12Å; R715-F719 VanDerWaalsContact O-N 3.16Å; R716-F719 PolarHBondContact O-N 3.23Å
720	E	46.8	Very low	70.7	Confident	153 Å²	153	140.9 Å²	140.9	72%	0.715	66%	0.656	S	S	*	*			trans	-94.2	5.9	168.6	-82.9	177.9	171.9	0	0	113.4	R716	R716-E720 PolarHBondContact O-N 3.13Å; R716-E720 VanDerWaalsContact O-N 3.14Å
721	V	40.1	Very low	69.1	Low	179 Å²	179	148.4 Å²	148.4	100%	1.085	67%	0.671	S	S	*	*			trans	-114.4	0	164.4	-173.9	0	0	0	0	107.9

Retrieved 721 of 721 residues in 1730.8 ms (Link to these results)

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