A0A5K4FE41_SCHMA Loading...

ribonuclease H

AlphaFold DB , UniProt , Accession A0A5K4FE41, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 772 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	38.3	Very low	28.9	Very low	216 Å²	216	137.1 Å²	137.1	100%	1.064	79%	0.786	S	S	*	*				0	99.7	0	-70.9	177.7	-160	0	0	106.8	Y3	M1-Y3 HydrophobicContact CB-CE2 4.47Å
2	V	31.3	Very low	29	Very low	137 Å²	137	133.2 Å²	133.2	83%	0.83	77%	0.773	S	S	*	*			trans	-90.3	111.4	173.3	-179.4	0	0	0	0	105.5	E4	V2-E4 PolarHBondContact O-N 3.15Å
3	Y	28.5	Very low	29.3	Very low	211 Å²	211	139 Å²	139	83%	0.827	77%	0.774	S	S	*	*			trans	-76.8	98.9	172.9	-81.4	-92	0	0	0	107.5	M1 S5	M1-Y3 HydrophobicContact CB-CE2 4.47Å; Y3-S5 PolarHBondContact O-N 3.31Å
4	E	27.8	Very low	29.9	Very low	175 Å²	175	138.4 Å²	138.4	82%	0.818	78%	0.776	S	S	*	*			trans	-75.7	102.8	165.5	-76.8	-174.5	162.4	0	0	108.4	V2 V6	V2-E4 PolarHBondContact O-N 3.15Å; E4-V6 PolarHBondContact O-N 3.42Å
5	S	26.6	Very low	31.2	Very low	100 Å²	100	133 Å²	133	70%	0.699	76%	0.763	S	S	*	*			trans	-69.7	107.9	165.6	55	0	0	0	0	108.6	Y3 V7	Y3-S5 PolarHBondContact O-N 3.31Å; S5-V7 VanDerWaalsContact C-N 3.31Å; S5-V7 PolarHBondContact O-N 2.99Å
6	V	28.8	Very low	33	Very low	136 Å²	136	129.8 Å²	129.8	82%	0.824	74%	0.739	S	S	*	*			trans	-69.1	94.6	164.7	179.5	0	0	0	0	107.1	E4 A8	E4-V6 PolarHBondContact O-N 3.42Å; V6-A8 PolarHBondContact O-N 3.22Å; V6-A8 VanDerWaalsContact O-N 3.08Å
7	V	27	Very low	35.3	Very low	122 Å²	122	127.5 Å²	127.5	74%	0.739	73%	0.733	S	S	*	*			trans	-70.1	100.9	163.6	-179.5	0	0	0	0	105.5	S5 S9	S5-V7 VanDerWaalsContact C-N 3.31Å; S5-V7 PolarHBondContact O-N 2.99Å; V7-S9 VanDerWaalsContact C-N 3.26Å; V7-S9 PolarHBondContact O-N 2.86Å
8	A	28.9	Very low	38.1	Very low	83 Å²	83	121.1 Å²	121.1	69%	0.686	70%	0.695	S	S	*	*			trans	-62.1	93.5	167.6	0	0	0	0	0	107.5	V6 V10	V6-A8 PolarHBondContact O-N 3.22Å; V6-A8 VanDerWaalsContact O-N 3.08Å; A8-V10 PolarHBondContact O-N 3.31Å
9	S	26.7	Very low	40.7	Very low	99 Å²	99	119.1 Å²	119.1	69%	0.692	68%	0.679	S	S	*	*			trans	-61.8	121.2	163.9	51.4	0	0	0	0	106.6	V7 S11	V7-S9 VanDerWaalsContact C-N 3.26Å; V7-S9 PolarHBondContact O-N 2.86Å; S9-S11 PolarHBondContact O-N 2.87Å
10	V	26.4	Very low	43.1	Very low	143 Å²	143	114.8 Å²	114.8	87%	0.867	66%	0.655	S	S	*	*			trans	-66.9	79.2	166.4	-175.8	0	0	0	0	106.1	A8 S12	A8-V10 PolarHBondContact O-N 3.31Å; V10-S12 VanDerWaalsContact C-N 3.33Å; V10-S12 PolarHBondContact O-N 3.5Å
11	S	27.9	Very low	45.2	Very low	86 Å²	86	112.8 Å²	112.8	60%	0.601	64%	0.639	S	S	*	*			trans	-61.7	104.9	157.7	167.8	0	0	0	0	104.7	S9 R13	S9-S11 PolarHBondContact O-N 2.87Å; S11-R13 PolarHBondContact O-N 2.85Å; S11-R13 VanDerWaalsContact O-N 3.13Å
12	S	30.1	Very low	47.6	Very low	90 Å²	90	106.7 Å²	106.7	63%	0.629	61%	0.611	S	S	*	*			trans	-42.7	124	149	45.3	0	0	0	0	106.2	V10 V14	V10-S12 VanDerWaalsContact C-N 3.33Å; V10-S12 PolarHBondContact O-N 3.5Å; S12-V14 VanDerWaalsContact C-N 3.3Å; S12-V14 WeakPolarHBondContact O-CG2 3.41Å; S12-V14 PolarHBondContact O-N 2.88Å
13	R	32.4	Very low	50	Low	209 Å²	209	104.3 Å²	104.3	79%	0.789	59%	0.587	S	S	*	*			trans	-57.7	101.9	174.5	-78.3	-177.8	177.4	-177.7	-0.8	106.6	S11 G15 E16	S11-R13 PolarHBondContact O-N 2.85Å; S11-R13 VanDerWaalsContact O-N 3.13Å; R13-G15 PolarHBondContact O-N 3.42Å; R13-E16 IonicContact NH1-OE1 3.78Å
14	V	38	Very low	52.5	Low	131 Å²	131	100.6 Å²	100.6	79%	0.794	58%	0.577	S	S	*	*			trans	-71.4	87	175.2	178.9	0	0	0	0	106	S12	S12-V14 VanDerWaalsContact C-N 3.3Å; S12-V14 WeakPolarHBondContact O-CG2 3.41Å; S12-V14 PolarHBondContact O-N 2.88Å
15	G	49.4	Very low	54.4	Low	57 Å²	57	96.1 Å²	96.1	59%	0.588	56%	0.562	S	S	*	*			trans	66.7	119.8	179	0	0	0	0	0	113.6	R13 S17	R13-G15 PolarHBondContact O-N 3.42Å; G15-S17 PolarHBondContact O-N 3.46Å
16	E	60	Low	55.8	Low	82 Å²	82	94.9 Å²	94.9	38%	0.383	55%	0.547	S	S	.	.			trans	-63.5	105.4	158.6	-68.1	175.4	160.9	0	0	106.9	R13 Y18	R13-E16 IonicContact NH1-OE1 3.78Å; E16-Y18 HydrophobicContact CB-CD2 4.25Å; E16-Y18 HydrophobicContact CB-CE2 3.54Å; E16-Y18 VanDerWaalsContact O-CD2 3.3Å; E16-Y18 WeakPolarHBondContact O-CD2 3.3Å; E16-Y18 WeakPolarHBondContact O-CE2 3.36Å; E16-Y18 PolarHBondContact OE2-OH 2.84Å
17	S	71.8	Confident	57	Low	90 Å²	90	90.1 Å²	90.1	63%	0.629	53%	0.525	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.6	109.6	172.6	61.8	0	0	0	0	108.5	G15	G15-S17 PolarHBondContact O-N 3.46Å
18	Y	85.2	Confident	58.1	Low	13 Å²	13	86.8 Å²	86.8	5%	0.051	51%	0.507	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	130.1	-178.3	-66.2	-89.6	0	0	0	110.7	E16 V360 E362 L364 Y376 T377 L378 S379	E16-Y18 HydrophobicContact CB-CD2 4.25Å; E16-Y18 HydrophobicContact CB-CE2 3.54Å; E16-Y18 VanDerWaalsContact O-CD2 3.3Å; E16-Y18 WeakPolarHBondContact O-CD2 3.3Å; E16-Y18 WeakPolarHBondContact O-CE2 3.36Å; E16-Y18 PolarHBondContact OE2-OH 2.84Å; Y18-V360 HydrophobicContact CD1-CG1 3.99Å; Y18-V360 HydrophobicContact CG-CG1 4.3Å; Y18-E362 HydrophobicContact CD1-CB 4.26Å; Y18-L364 HydrophobicContact CD1-CD2 3.46Å; Y18-L364 VanDerWaalsContact CD1-CD2 3.46Å; Y18-L364 HydrophobicContact CE1-CD2 3.48Å; Y18-L364 VanDerWaalsContact CE1-CD2 3.48Å; Y18-L364 HydrophobicContact CG-CD2 4.05Å; Y18-Y376 HydrophobicContact CD2-CD1 4.26Å; Y18-Y376 AromaticContact CE2-CD1 3.63Å; Y18-Y376 HydrophobicContact CE2-CD1 3.63Å; Y18-Y376 HydrophobicContact CE2-CE1 4.32Å; Y18-Y376 AromaticContact CZ-CD1 3.82Å; Y18-T377 PolarHBondContact N-O 3Å; Y18-L378 CarbonylContact O-C 3.6Å; Y18-L378 WeakPolarHBondContact O-CA 3.07Å; Y18-S379 PolarHBondContact O-N 3.3Å
19	E	88.1	Confident	59.2	Low	83 Å²	83	86.9 Å²	86.9	39%	0.388	49%	0.493	S	S	.	.	P	Polyproline II helix	trans	-82	126.2	-176.8	-170.5	179.6	-159.7	0	0	111.3	V360 K361 E362	E19-V360 WeakPolarHBondContact O-CA 3.46Å; E19-K361 PolarHBondContact O-N 3.3Å; E19-K361 VanDerWaalsContact O-N 3.16Å; E19-K361 IonicContact OE2-NZ 3.03Å; E19-E362 WeakPolarHBondContact CB-OE1 3.2Å; E19-E362 PolarHBondContact N-OE1 3.12Å; E19-E362 PolarHBondContact N-OE2 3.03Å
20	V	88	Confident	60.5	Low	32 Å²	32	85.6 Å²	85.6	19%	0.194	48%	0.484	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	123.5	168.3	176.8	0	0	0	0	109.4	A280 K358 L378	V20-A280 HydrophobicContact CG1-CB 4.15Å; V20-A280 HydrophobicContact CG2-CB 4.45Å; V20-K358 HydrophobicContact CG1-CG 4.45Å; V20-L378 HydrophobicContact CG2-CB 4.09Å; V20-L378 HydrophobicContact CG2-CD1 3.7Å; V20-L378 HydrophobicContact CG2-CG 4.42Å
21	F	88.4	Confident	61.7	Low	73 Å²	73	83.9 Å²	83.9	32%	0.32	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	143.2	178.9	-172.7	-97.3	0	0	0	111.1	Y23 K358 T359 K361	F21-Y23 HydrophobicContact CD1-CD1 4.34Å; F21-Y23 AromaticContact CD1-CD2 3.49Å; F21-Y23 HydrophobicContact CD1-CD2 3.49Å; F21-Y23 VanDerWaalsContact CD1-CD2 3.49Å; F21-Y23 HydrophobicContact CD1-CE1 4.34Å; F21-Y23 AromaticContact CD1-CE2 3.49Å; F21-Y23 HydrophobicContact CD1-CE2 3.49Å; F21-Y23 VanDerWaalsContact CD1-CE2 3.49Å; F21-Y23 AromaticContact CD1-CG 3.92Å; F21-Y23 HydrophobicContact CD1-CG 3.92Å; F21-Y23 AromaticContact CD1-CZ 3.93Å; F21-Y23 AromaticContact CE1-CD1 3.74Å; F21-Y23 HydrophobicContact CE1-CD1 3.74Å; F21-Y23 AromaticContact CE1-CD2 3.76Å; F21-Y23 HydrophobicContact CE1-CD2 3.76Å; F21-Y23 AromaticContact CE1-CE1 3.78Å; F21-Y23 HydrophobicContact CE1-CE1 3.78Å; F21-Y23 AromaticContact CE1-CE2 3.8Å; F21-Y23 HydrophobicContact CE1-CE2 3.8Å; F21-Y23 AromaticContact CE1-CG 3.71Å; F21-Y23 HydrophobicContact CE1-CG 3.71Å; F21-Y23 AromaticContact CE1-CZ 3.81Å; F21-K358 CarbonylContact O-C 3.57Å; F21-K358 WeakPolarHBondContact O-CA 3.29Å; F21-T359 PolarHBondContact N-O 3.13Å; F21-T359 PolarHBondContact O-N 3.42Å; F21-K361 HydrophobicContact CB-CB 4.21Å
22	N	88.3	Confident	63.2	Low	89 Å²	89	84.8 Å²	84.8	48%	0.476	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	110.5	172.4	-65.2	-53.5	0	0	0	108.7	Y357 K358	N22-Y357 CarbonylContact C-O 3.59Å; N22-Y357 WeakPolarHBondContact CA-O 3.43Å; N22-K358 WeakPolarHBondContact OD1-CG 3.45Å
23	Y	82	Confident	64.4	Low	86 Å²	86	86.7 Å²	86.7	34%	0.337	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	127.7	166.4	-82.2	-82.4	0	0	0	108.9	F21 S356 Y357 T359	F21-Y23 HydrophobicContact CD1-CD1 4.34Å; F21-Y23 AromaticContact CD1-CD2 3.49Å; F21-Y23 HydrophobicContact CD1-CD2 3.49Å; F21-Y23 VanDerWaalsContact CD1-CD2 3.49Å; F21-Y23 HydrophobicContact CD1-CE1 4.34Å; F21-Y23 AromaticContact CD1-CE2 3.49Å; F21-Y23 HydrophobicContact CD1-CE2 3.49Å; F21-Y23 VanDerWaalsContact CD1-CE2 3.49Å; F21-Y23 AromaticContact CD1-CG 3.92Å; F21-Y23 HydrophobicContact CD1-CG 3.92Å; F21-Y23 AromaticContact CD1-CZ 3.93Å; F21-Y23 AromaticContact CE1-CD1 3.74Å; F21-Y23 HydrophobicContact CE1-CD1 3.74Å; F21-Y23 AromaticContact CE1-CD2 3.76Å; F21-Y23 HydrophobicContact CE1-CD2 3.76Å; F21-Y23 AromaticContact CE1-CE1 3.78Å; F21-Y23 HydrophobicContact CE1-CE1 3.78Å; F21-Y23 AromaticContact CE1-CE2 3.8Å; F21-Y23 HydrophobicContact CE1-CE2 3.8Å; F21-Y23 AromaticContact CE1-CG 3.71Å; F21-Y23 HydrophobicContact CE1-CG 3.71Å; F21-Y23 AromaticContact CE1-CZ 3.81Å; Y23-S356 CarbonylContact O-C 3.57Å; Y23-S356 WeakPolarHBondContact O-CA 3.46Å; Y23-S356 WeakPolarHBondContact O-CB 3.01Å; Y23-Y357 VanDerWaalsContact CB-CZ 3.41Å; Y23-Y357 AromaticContact CD2-CE2 3.84Å; Y23-Y357 HydrophobicContact CD2-CE2 3.84Å; Y23-Y357 AromaticContact CD2-CZ 3.85Å; Y23-Y357 HydrophobicContact CG-CE1 4.19Å; Y23-Y357 HydrophobicContact CG-CE2 4.17Å; Y23-Y357 AromaticContact CG-CZ 3.73Å; Y23-Y357 PolarHBondContact N-O 2.96Å; Y23-Y357 PolarHBondContact O-N 3.38Å; Y23-T359 HydrophobicContact CD2-CG2 3.54Å; Y23-T359 HydrophobicContact CE2-CG2 3.47Å; Y23-T359 VanDerWaalsContact CE2-CG2 3.47Å
24	E	80.4	Confident	65.4	Low	133 Å²	133	78.7 Å²	78.7	62%	0.621	44%	0.439	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.5	135.1	165.7	-70.4	-172.2	172.4	0	0	108.9	I26	E24-I26 HydrophobicContact CB-CD1 4.04Å; E24-I26 HydrophobicContact CB-CG1 3.58Å; E24-I26 PolarHBondContact O-N 3.05Å
25	V	68.3	Low	66.1	Low	81 Å²	81	77.7 Å²	77.7	49%	0.491	43%	0.429	S	S	.	.			trans	-76.3	79	172.7	-178.5	0	0	0	0	107	T355 Y357	V25-T355 PolarHBondContact N-O 3.36Å; V25-Y357 HydrophobicContact CG2-CD1 3.94Å
26	I	56.5	Low	66.5	Low	75 Å²	75	78.8 Å²	78.8	39%	0.385	44%	0.441	S	S	.	.			trans	-92.2	109.9	178.7	-42.4	179	0	0	0	107.8	E24 S28 E29	E24-I26 HydrophobicContact CB-CD1 4.04Å; E24-I26 HydrophobicContact CB-CG1 3.58Å; E24-I26 PolarHBondContact O-N 3.05Å; I26-S28 WeakPolarHBondContact CG2-OG 3.18Å; I26-S28 PolarHBondContact O-N 2.81Å; I26-E29 PolarHBondContact O-N 3.02Å
27	G	54.2	Low	66.3	Low	36 Å²	36	82.8 Å²	82.8	37%	0.371	45%	0.454	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	3.6	175.1	0	0	0	0	0	115.2	F42 K44	G27-F42 WeakPolarHBondContact O-CZ 3.46Å; G27-K44 VanDerWaalsContact O-CE 3.25Å; G27-K44 WeakPolarHBondContact O-CE 3.21Å
28	S	49.8	Very low	65.4	Low	51 Å²	51	83.4 Å²	83.4	36%	0.357	47%	0.465	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-25.1	168	56.5	0	0	0	0	113.7	I26 C30 K31	I26-S28 WeakPolarHBondContact CG2-OG 3.18Å; I26-S28 PolarHBondContact O-N 2.81Å; S28-C30 VanDerWaalsContact C-N 3.28Å; S28-C30 PolarHBondContact O-N 3.46Å; S28-K31 WeakPolarHBondContact O-CA 3.45Å; S28-K31 WeakPolarHBondContact O-CB 3.44Å; S28-K31 PolarHBondContact O-N 2.95Å
29	E	50.4	Low	63.9	Low	85 Å²	85	84.6 Å²	84.6	40%	0.397	48%	0.481	S	S	.	.	H	α-helix	trans	-66.9	-30.5	-179.9	-69.7	-176.4	159.9	0	0	112.3	I26 K31 D32 L33	I26-E29 PolarHBondContact O-N 3.02Å; E29-K31 PolarHBondContact O-N 3.17Å; E29-D32 PolarHBondContact O-N 2.94Å; E29-L33 PolarHBondContact O-N 3.35Å
30	C	54.2	Low	62.4	Low	72 Å²	72	82.9 Å²	82.9	49%	0.486	48%	0.481	S	S	.	.	H	α-helix	trans	-58.7	-28.2	170.5	-63.2	0	0	0	0	112.8	S28 F42	S28-C30 VanDerWaalsContact C-N 3.28Å; S28-C30 PolarHBondContact O-N 3.46Å; C30-F42 HydrophobicContact CB-CD2 3.98Å; C30-F42 HydrophobicContact CB-CE2 3.54Å
31	K	52.7	Low	60.9	Low	108 Å²	108	85 Å²	85	47%	0.47	50%	0.496	S	S	.	.	H	α-helix	trans	-70	-40.1	173.1	-171.1	-177.4	171.2	-174.4	0	111.1	S28 E29 L33 V34 N35 F42	S28-K31 WeakPolarHBondContact O-CA 3.45Å; S28-K31 WeakPolarHBondContact O-CB 3.44Å; S28-K31 PolarHBondContact O-N 2.95Å; E29-K31 PolarHBondContact O-N 3.17Å; K31-L33 VanDerWaalsContact C-N 3.31Å; K31-V34 WeakPolarHBondContact O-CG2 3.16Å; K31-V34 PolarHBondContact O-N 2.88Å; K31-N35 WeakPolarHBondContact O-CB 3.4Å; K31-N35 PolarHBondContact O-N 3.2Å; K31-N35 VanDerWaalsContact O-N 3.17Å; K31-F42 HydrophobicContact CB-CD1 3.63Å; K31-F42 HydrophobicContact CB-CD2 4.27Å; K31-F42 HydrophobicContact CB-CE1 3.61Å; K31-F42 HydrophobicContact CB-CE2 4.27Å; K31-F42 HydrophobicContact CB-CG 3.97Å; K31-F42 HydrophobicContact CB-CZ 3.94Å; K31-F42 HydrophobicContact CD-CD1 4.19Å; K31-F42 HydrophobicContact CD-CE1 4.2Å; K31-F42 HydrophobicContact CG-CD1 3.64Å; K31-F42 HydrophobicContact CG-CE1 3.96Å; K31-F42 HydrophobicContact CG-CG 4.18Å
32	D	58.1	Low	59.6	Low	104 Å²	104	85 Å²	85	56%	0.556	50%	0.496	S	S	*	.	H	α-helix	trans	-69.4	-32.7	-179	-64.1	-30.7	0	0	0	111.3	E29 V34 N35	E29-D32 PolarHBondContact O-N 2.94Å; D32-V34 PolarHBondContact O-N 2.99Å; D32-N35 PolarHBondContact O-N 3.48Å
33	L	56.3	Low	58.5	Low	130 Å²	130	86.2 Å²	86.2	68%	0.681	50%	0.497	S	S	*	.	H	α-helix	trans	-67.5	-28.7	175.4	-69.4	173.5	0	0	0	114.2	E29 K31 Y37	E29-L33 PolarHBondContact O-N 3.35Å; K31-L33 VanDerWaalsContact C-N 3.31Å; L33-Y37 WeakPolarHBondContact O-CD2 3.33Å; L33-Y37 VanDerWaalsContact O-CE2 3.3Å; L33-Y37 WeakPolarHBondContact O-CE2 3.49Å
34	V	53.9	Low	57.6	Low	41 Å²	41	88.8 Å²	88.8	25%	0.248	51%	0.51	C	S	.	.	H	α-helix	trans	-92.7	-14.3	175.8	-60.7	0	0	0	0	113.2	K31 D32 G36 Y37 A40 F42	K31-V34 WeakPolarHBondContact O-CG2 3.16Å; K31-V34 PolarHBondContact O-N 2.88Å; D32-V34 PolarHBondContact O-N 2.99Å; V34-G36 PolarHBondContact O-N 3.4Å; V34-Y37 PolarHBondContact O-N 2.95Å; V34-A40 HydrophobicContact CB-CB 3.76Å; V34-A40 HydrophobicContact CG1-CB 4.16Å; V34-F42 HydrophobicContact CG2-CB 3.37Å; V34-F42 HydrophobicContact CG2-CG 4.31Å
35	N	52.8	Low	57	Low	110 Å²	110	85.4 Å²	85.4	59%	0.588	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	115.1	-172.7	-131.3	-0.8	0	0	0	109.6	K31 D32	K31-N35 WeakPolarHBondContact O-CB 3.4Å; K31-N35 PolarHBondContact O-N 3.2Å; K31-N35 VanDerWaalsContact O-N 3.17Å; D32-N35 PolarHBondContact O-N 3.48Å
36	G	57.6	Low	57	Low	81 Å²	81	87.8 Å²	87.8	84%	0.835	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	102.8	-6.7	-178.6	0	0	0	0	0	115.3	V34	V34-G36 PolarHBondContact O-N 3.4Å
37	Y	54.2	Low	57	Low	166 Å²	166	86.7 Å²	86.7	65%	0.651	51%	0.507	S	S	*	.	S	Bend	trans	-91.7	118.4	172.5	-67	-86.3	0	0	0	110.4	L33 V34 G39 A40	L33-Y37 WeakPolarHBondContact O-CD2 3.33Å; L33-Y37 VanDerWaalsContact O-CE2 3.3Å; L33-Y37 WeakPolarHBondContact O-CE2 3.49Å; V34-Y37 PolarHBondContact O-N 2.95Å; Y37-G39 PolarHBondContact O-N 2.77Å; Y37-A40 WeakPolarHBondContact O-CB 3.25Å; Y37-A40 PolarHBondContact O-N 2.96Å; Y37-A40 VanDerWaalsContact O-N 3.11Å
38	A	53.3	Low	57.1	Low	103 Å²	103	93.5 Å²	93.5	85%	0.851	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	121	-179.8	0	0	0	0	0	110.8
39	G	55.2	Low	57.8	Low	38 Å²	38	96.4 Å²	96.4	39%	0.392	54%	0.535	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.8	-6.7	-178.7	0	0	0	0	0	115.9	Y37 C41	Y37-G39 PolarHBondContact O-N 2.77Å; G39-C41 PolarHBondContact O-N 3.39Å; G39-C41 PolarHBondContact O-SG 2.93Å
40	A	54.8	Low	58.5	Low	47 Å²	47	96.6 Å²	96.6	39%	0.388	54%	0.536	S	S	.	.			trans	-72.5	128.3	175.8	0	0	0	0	0	110.6	V34 Y37	V34-A40 HydrophobicContact CB-CB 3.76Å; V34-A40 HydrophobicContact CG1-CB 4.16Å; Y37-A40 WeakPolarHBondContact O-CB 3.25Å; Y37-A40 PolarHBondContact O-N 2.96Å; Y37-A40 VanDerWaalsContact O-N 3.11Å
41	C	56.6	Low	59.1	Low	76 Å²	76	94.2 Å²	94.2	51%	0.514	52%	0.521	S	S	.	.			trans	-111.5	127.1	-178.6	-54.5	0	0	0	0	109.1	G39 F54	G39-C41 PolarHBondContact O-N 3.39Å; G39-C41 PolarHBondContact O-SG 2.93Å; C41-F54 HydrophobicContact CB-CE1 4.28Å; C41-F54 HydrophobicContact CB-CZ 4.21Å
42	F	61.9	Low	59.7	Low	73 Å²	73	91.6 Å²	91.6	32%	0.32	51%	0.511	S	S	.	.			trans	-115.9	124.7	170.2	169.6	-93.8	0	0	0	110.7	G27 C30 K31 V34 K44	G27-F42 WeakPolarHBondContact O-CZ 3.46Å; C30-F42 HydrophobicContact CB-CD2 3.98Å; C30-F42 HydrophobicContact CB-CE2 3.54Å; K31-F42 HydrophobicContact CB-CD1 3.63Å; K31-F42 HydrophobicContact CB-CD2 4.27Å; K31-F42 HydrophobicContact CB-CE1 3.61Å; K31-F42 HydrophobicContact CB-CE2 4.27Å; K31-F42 HydrophobicContact CB-CG 3.97Å; K31-F42 HydrophobicContact CB-CZ 3.94Å; K31-F42 HydrophobicContact CD-CD1 4.19Å; K31-F42 HydrophobicContact CD-CE1 4.2Å; K31-F42 HydrophobicContact CG-CD1 3.64Å; K31-F42 HydrophobicContact CG-CE1 3.96Å; K31-F42 HydrophobicContact CG-CG 4.18Å; V34-F42 HydrophobicContact CG2-CB 3.37Å; V34-F42 HydrophobicContact CG2-CG 4.31Å; F42-K44 HydrophobicContact CE1-CG 4.16Å; F42-K44 HydrophobicContact CZ-CD 4.49Å; F42-K44 HydrophobicContact CZ-CG 3.75Å
43	K	65.7	Low	60.5	Low	114 Å²	114	93.7 Å²	93.7	50%	0.496	52%	0.516	S	S	.	.			trans	-141.5	135.1	174.6	-176.4	172.4	173.6	-170.8	0	108.5	F45 F54	K43-F45 HydrophobicContact CB-CE1 4.23Å; K43-F45 HydrophobicContact CB-CE2 4.01Å; K43-F45 HydrophobicContact CB-CZ 3.63Å; K43-F45 HydrophobicContact CD-CD1 4.43Å; K43-F45 HydrophobicContact CD-CE1 3.5Å; K43-F45 VanDerWaalsContact CD-CE1 3.5Å; K43-F45 HydrophobicContact CD-CZ 3.67Å; K43-F45 HydrophobicContact CG-CD1 4.38Å; K43-F45 HydrophobicContact CG-CE1 3.72Å; K43-F45 HydrophobicContact CG-CE2 4.3Å; K43-F45 HydrophobicContact CG-CZ 3.66Å; K43-F45 WeakPolarHBondContact O-CD2 3.47Å; K43-F45 WeakPolarHBondContact O-CE2 3.49Å; K43-F54 HydrophobicContact CB-CZ 4.33Å; K43-F54 HydrophobicContact CD-CD2 3.63Å; K43-F54 HydrophobicContact CD-CE2 3.65Å; K43-F54 HydrophobicContact CD-CG 4.22Å; K43-F54 HydrophobicContact CD-CZ 4.25Å
44	K	61.8	Low	61.3	Low	140 Å²	140	89.8 Å²	89.8	61%	0.609	49%	0.493	S	S	*	.			trans	-81.7	138.8	169.9	-70.1	-172.6	176.4	-173.8	0	108.8	G27 F42	G27-K44 VanDerWaalsContact O-CE 3.25Å; G27-K44 WeakPolarHBondContact O-CE 3.21Å; F42-K44 HydrophobicContact CE1-CG 4.16Å; F42-K44 HydrophobicContact CZ-CD 4.49Å; F42-K44 HydrophobicContact CZ-CG 3.75Å
45	F	68.4	Low	61.8	Low	62 Å²	62	93.8 Å²	93.8	27%	0.272	51%	0.512	S	S	.	.			trans	-119.8	145.4	175.3	-57	-75.9	0	0	0	109	K43 S47 E50 A51 F54	K43-F45 HydrophobicContact CB-CE1 4.23Å; K43-F45 HydrophobicContact CB-CE2 4.01Å; K43-F45 HydrophobicContact CB-CZ 3.63Å; K43-F45 HydrophobicContact CD-CD1 4.43Å; K43-F45 HydrophobicContact CD-CE1 3.5Å; K43-F45 VanDerWaalsContact CD-CE1 3.5Å; K43-F45 HydrophobicContact CD-CZ 3.67Å; K43-F45 HydrophobicContact CG-CD1 4.38Å; K43-F45 HydrophobicContact CG-CE1 3.72Å; K43-F45 HydrophobicContact CG-CE2 4.3Å; K43-F45 HydrophobicContact CG-CZ 3.66Å; K43-F45 WeakPolarHBondContact O-CD2 3.47Å; K43-F45 WeakPolarHBondContact O-CE2 3.49Å; F45-S47 WeakPolarHBondContact CB-O 3.3Å; F45-E50 HydrophobicContact CB-CB 4.05Å; F45-E50 VanDerWaalsContact CD1-C 3.46Å; F45-E50 HydrophobicContact CD1-CB 3.81Å; F45-E50 WeakPolarHBondContact CD1-O 3.45Å; F45-E50 WeakPolarHBondContact CE1-O 3.47Å; F45-E50 HydrophobicContact CG-CB 4.33Å; F45-A51 HydrophobicContact CB-CB 4.02Å; F45-A51 HydrophobicContact CD1-CB 4.33Å; F45-A51 HydrophobicContact CD2-CB 3.43Å; F45-A51 VanDerWaalsContact CD2-CB 3.43Å; F45-A51 HydrophobicContact CE2-CB 3.95Å; F45-A51 HydrophobicContact CG-CB 3.65Å; F45-F54 HydrophobicContact CE1-CB 3.41Å; F45-F54 VanDerWaalsContact CE1-CB 3.41Å; F45-F54 HydrophobicContact CE1-CD1 4.32Å; F45-F54 HydrophobicContact CE1-CD2 4.29Å; F45-F54 AromaticContact CE1-CG 3.77Å; F45-F54 HydrophobicContact CE1-CG 3.77Å; F45-F54 HydrophobicContact CE2-CD1 4.32Å; F45-F54 HydrophobicContact CZ-CB 3.4Å; F45-F54 AromaticContact CZ-CD1 3.48Å; F45-F54 HydrophobicContact CZ-CD1 3.48Å; F45-F54 VanDerWaalsContact CZ-CD1 3.48Å; F45-F54 HydrophobicContact CZ-CD2 4.14Å; F45-F54 HydrophobicContact CZ-CE1 4.24Å; F45-F54 AromaticContact CZ-CG 3.39Å; F45-F54 HydrophobicContact CZ-CG 3.39Å
46	T	68.8	Low	62.4	Low	131 Å²	131	94.9 Å²	94.9	80%	0.804	51%	0.514	S	S	*	.	S	Bend	trans	-88.3	-13.4	177.9	60.6	0	0	0	0	112.4	E50	T46-E50 PolarHBondContact N-OE2 2.76Å; T46-E50 PolarHBondContact OG1-OE2 2.89Å
47	S	56.3	Low	63.1	Low	53 Å²	53	94.1 Å²	94.1	37%	0.371	50%	0.5	S	S	.	.	S	Bend	trans	-146.8	160.9	174.6	70.9	0	0	0	0	111.6	F45 D49 E50 A51	F45-S47 WeakPolarHBondContact CB-O 3.3Å; S47-D49 VanDerWaalsContact C-N 3.32Å; S47-D49 PolarHBondContact O-N 3.27Å; S47-E50 PolarHBondContact O-N 3.17Å; S47-E50 PolarHBondContact OG-N 2.81Å; S47-A51 PolarHBondContact O-N 3.49Å
48	Y	57.2	Low	62.8	Low	179 Å²	179	89.1 Å²	89.1	70%	0.702	50%	0.498	S	S	*	.	H	α-helix	trans	-58.2	-42.2	173.5	179.6	-100.9	0	0	0	112.2	E50 A51 I52	Y48-E50 VanDerWaalsContact C-N 3.3Å; Y48-E50 PolarHBondContact O-N 3.13Å; Y48-A51 WeakPolarHBondContact O-CB 3.47Å; Y48-A51 PolarHBondContact O-N 3.43Å; Y48-I52 HydrophobicContact CD1-CG1 4.09Å; Y48-I52 HydrophobicContact CE1-CD1 4.18Å; Y48-I52 HydrophobicContact CE1-CG1 3.66Å; Y48-I52 HydrophobicContact CE2-CD1 4.3Å; Y48-I52 HydrophobicContact CE2-CG1 4.33Å; Y48-I52 PolarHBondContact O-N 3.49Å
49	D	63.7	Low	62.6	Low	112 Å²	112	90.3 Å²	90.3	60%	0.599	49%	0.486	S	S	*	.	H	α-helix	trans	-60.6	-35.9	178.9	-67.2	-15.3	0	0	0	113.1	S47 A51 K53	S47-D49 VanDerWaalsContact C-N 3.32Å; S47-D49 PolarHBondContact O-N 3.27Å; D49-A51 VanDerWaalsContact C-N 3.34Å; D49-K53 WeakPolarHBondContact O-CG 3.41Å; D49-K53 PolarHBondContact O-N 2.78Å; D49-K53 VanDerWaalsContact O-N 3.1Å
50	E	65	Low	61.5	Low	89 Å²	89	98.1 Å²	98.1	42%	0.416	51%	0.512	S	S	.	.	H	α-helix	trans	-68.3	-34.8	175.1	-75.6	-172.2	150.2	0	0	112.2	F45 T46 S47 Y48 F54	F45-E50 HydrophobicContact CB-CB 4.05Å; F45-E50 VanDerWaalsContact CD1-C 3.46Å; F45-E50 HydrophobicContact CD1-CB 3.81Å; F45-E50 WeakPolarHBondContact CD1-O 3.45Å; F45-E50 WeakPolarHBondContact CE1-O 3.47Å; F45-E50 HydrophobicContact CG-CB 4.33Å; T46-E50 PolarHBondContact N-OE2 2.76Å; T46-E50 PolarHBondContact OG1-OE2 2.89Å; S47-E50 PolarHBondContact O-N 3.17Å; S47-E50 PolarHBondContact OG-N 2.81Å; Y48-E50 VanDerWaalsContact C-N 3.3Å; Y48-E50 PolarHBondContact O-N 3.13Å; E50-F54 PolarHBondContact O-N 3.35Å
51	A	68	Low	60.6	Low	22 Å²	22	100.1 Å²	100.1	18%	0.182	52%	0.519	C	S	.	.	H	α-helix	trans	-68.2	-44.2	177	0	0	0	0	0	111.2	F45 S47 Y48 D49 F54 I55	F45-A51 HydrophobicContact CB-CB 4.02Å; F45-A51 HydrophobicContact CD1-CB 4.33Å; F45-A51 HydrophobicContact CD2-CB 3.43Å; F45-A51 VanDerWaalsContact CD2-CB 3.43Å; F45-A51 HydrophobicContact CE2-CB 3.95Å; F45-A51 HydrophobicContact CG-CB 3.65Å; S47-A51 PolarHBondContact O-N 3.49Å; Y48-A51 WeakPolarHBondContact O-CB 3.47Å; Y48-A51 PolarHBondContact O-N 3.43Å; D49-A51 VanDerWaalsContact C-N 3.34Å; A51-F54 WeakPolarHBondContact O-CB 3.5Å; A51-F54 PolarHBondContact O-N 3.3Å; A51-I55 WeakPolarHBondContact O-CG1 3.06Å; A51-I55 PolarHBondContact O-N 2.73Å; A51-I55 VanDerWaalsContact O-N 3.13Å
52	I	65.2	Low	59.3	Low	52 Å²	52	99.7 Å²	99.7	27%	0.267	53%	0.528	S	S	.	.	H	α-helix	trans	-61.4	-49.4	176.7	-67.4	-61.4	0	0	0	111.3	Y48 F54 I55 E56	Y48-I52 HydrophobicContact CD1-CG1 4.09Å; Y48-I52 HydrophobicContact CE1-CD1 4.18Å; Y48-I52 HydrophobicContact CE1-CG1 3.66Å; Y48-I52 HydrophobicContact CE2-CD1 4.3Å; Y48-I52 HydrophobicContact CE2-CG1 4.33Å; Y48-I52 PolarHBondContact O-N 3.49Å; I52-F54 PolarHBondContact O-N 3.42Å; I52-F54 VanDerWaalsContact O-N 3.13Å; I52-I55 PolarHBondContact O-N 3.16Å; I52-E56 HydrophobicContact CG2-CG 4.2Å; I52-E56 WeakPolarHBondContact O-CG 3.25Å; I52-E56 PolarHBondContact O-N 3.01Å
53	K	74.8	Confident	57.5	Low	148 Å²	148	102.7 Å²	102.7	64%	0.643	55%	0.553	S	S	*	*	H	α-helix	trans	-56.6	-32.9	176.9	-76.1	177.2	-176.9	174.3	0	113.2	D49 A57	D49-K53 WeakPolarHBondContact O-CG 3.41Å; D49-K53 PolarHBondContact O-N 2.78Å; D49-K53 VanDerWaalsContact O-N 3.1Å; K53-A57 WeakPolarHBondContact O-CB 3.4Å; K53-A57 PolarHBondContact O-N 3.5Å
54	F	71.6	Confident	55.7	Low	49 Å²	49	103.7 Å²	103.7	22%	0.215	57%	0.568	C	S	.	*	H	α-helix	trans	-72.9	-38.2	177.2	177.4	-96.5	0	0	0	112.8	C41 K43 F45 E50 A51 I52 H59	C41-F54 HydrophobicContact CB-CE1 4.28Å; C41-F54 HydrophobicContact CB-CZ 4.21Å; K43-F54 HydrophobicContact CB-CZ 4.33Å; K43-F54 HydrophobicContact CD-CD2 3.63Å; K43-F54 HydrophobicContact CD-CE2 3.65Å; K43-F54 HydrophobicContact CD-CG 4.22Å; K43-F54 HydrophobicContact CD-CZ 4.25Å; F45-F54 HydrophobicContact CE1-CB 3.41Å; F45-F54 VanDerWaalsContact CE1-CB 3.41Å; F45-F54 HydrophobicContact CE1-CD1 4.32Å; F45-F54 HydrophobicContact CE1-CD2 4.29Å; F45-F54 AromaticContact CE1-CG 3.77Å; F45-F54 HydrophobicContact CE1-CG 3.77Å; F45-F54 HydrophobicContact CE2-CD1 4.32Å; F45-F54 HydrophobicContact CZ-CB 3.4Å; F45-F54 AromaticContact CZ-CD1 3.48Å; F45-F54 HydrophobicContact CZ-CD1 3.48Å; F45-F54 VanDerWaalsContact CZ-CD1 3.48Å; F45-F54 HydrophobicContact CZ-CD2 4.14Å; F45-F54 HydrophobicContact CZ-CE1 4.24Å; F45-F54 AromaticContact CZ-CG 3.39Å; F45-F54 HydrophobicContact CZ-CG 3.39Å; E50-F54 PolarHBondContact O-N 3.35Å; A51-F54 WeakPolarHBondContact O-CB 3.5Å; A51-F54 PolarHBondContact O-N 3.3Å; I52-F54 PolarHBondContact O-N 3.42Å; I52-F54 VanDerWaalsContact O-N 3.13Å; F54-H59 AromaticContact CE2-CD2 3.95Å; F54-H59 AromaticContact CE2-NE2 3.97Å
55	I	65.6	Low	53.8	Low	124 Å²	124	104.8 Å²	104.8	64%	0.636	58%	0.58	S	S	*	*	H	α-helix	trans	-65.8	-45.7	175.1	-65.7	167	0	0	0	110	A51 I52 A57 G58	A51-I55 WeakPolarHBondContact O-CG1 3.06Å; A51-I55 PolarHBondContact O-N 2.73Å; A51-I55 VanDerWaalsContact O-N 3.13Å; I52-I55 PolarHBondContact O-N 3.16Å; I55-A57 VanDerWaalsContact C-N 3.27Å; I55-A57 PolarHBondContact O-N 3.46Å; I55-G58 PolarHBondContact O-N 3.45Å
56	E	65.8	Low	51.8	Low	134 Å²	134	107 Å²	107	63%	0.626	60%	0.602	S	S	*	*	H	α-helix	trans	-65.1	-27.2	-179.2	-70.3	177.7	162.3	0	0	113.6	I52 G58	I52-E56 HydrophobicContact CG2-CG 4.2Å; I52-E56 WeakPolarHBondContact O-CG 3.25Å; I52-E56 PolarHBondContact O-N 3.01Å; E56-G58 PolarHBondContact O-N 2.84Å; E56-G58 VanDerWaalsContact O-N 3.16Å
57	A	71.4	Confident	49.6	Very low	65 Å²	65	110.7 Å²	110.7	54%	0.537	61%	0.607	S	S	.	*	T	Hydrogen-bonded Turn	trans	-69.4	-8.1	-177.9	0	0	0	0	0	114.8	K53 I55	K53-A57 WeakPolarHBondContact O-CB 3.4Å; K53-A57 PolarHBondContact O-N 3.5Å; I55-A57 VanDerWaalsContact C-N 3.27Å; I55-A57 PolarHBondContact O-N 3.46Å
58	G	47.9	Very low	48	Very low	61 Å²	61	117.6 Å²	117.6	63%	0.629	63%	0.631	S	S	*	*			trans	52.9	80.4	169.7	0	0	0	0	0	114.5	I55 E56	I55-G58 PolarHBondContact O-N 3.45Å; E56-G58 PolarHBondContact O-N 2.84Å; E56-G58 VanDerWaalsContact O-N 3.16Å
59	H	48.2	Very low	46.3	Very low	127 Å²	127	120.9 Å²	120.9	59%	0.588	64%	0.642	S	S	*	*	P	Polyproline II helix	trans	-86	123.7	176.3	-74.9	-72.3	0	0	0	112	F54 V61	F54-H59 AromaticContact CE2-CD2 3.95Å; F54-H59 AromaticContact CE2-NE2 3.97Å; H59-V61 PolarHBondContact O-N 2.8Å
60	E	32.5	Very low	44.3	Very low	202 Å²	202	125.7 Å²	125.7	94%	0.944	66%	0.658	S	S	*	*	P	Polyproline II helix	trans	-62.6	118.8	176.2	-76.6	-175.2	158.9	0	0	112.1
61	V	35.9	Very low	42.3	Very low	89 Å²	89	128.5 Å²	128.5	54%	0.539	67%	0.674	S	S	.	*	P	Polyproline II helix	trans	-83.7	117.7	175.5	174.8	0	0	0	0	109.8	H59 T63	H59-V61 PolarHBondContact O-N 2.8Å; V61-T63 PolarHBondContact O-N 3.16Å
62	G	30.6	Very low	40.2	Very low	67 Å²	67	131 Å²	131	69%	0.691	70%	0.702	S	S	*	*	P	Polyproline II helix	trans	-60.2	120.2	-178.6	0	0	0	0	0	114.1	V64	G62-V64 PolarHBondContact O-N 2.89Å
63	T	23.5	Very low	38.1	Very low	137 Å²	137	133.7 Å²	133.7	84%	0.84	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-56.2	122	174.9	19.7	0	0	0	0	113.9	V61	V61-T63 PolarHBondContact O-N 3.16Å
64	V	27.4	Very low	35.6	Very low	134 Å²	134	134.2 Å²	134.2	81%	0.812	73%	0.732	S	S	*	*			trans	-109.1	115.2	158.4	-179.7	0	0	0	0	109	G62 S66	G62-V64 PolarHBondContact O-N 2.89Å; V64-S66 PolarHBondContact O-N 2.9Å
65	L	23.2	Very low	33.2	Very low	164 Å²	164	137.9 Å²	137.9	86%	0.859	75%	0.754	S	S	*	*			trans	-63	113.8	-173.3	-74.8	146.3	0	0	0	113.1
66	S	24.7	Very low	31.1	Very low	107 Å²	107	138.9 Å²	138.9	75%	0.748	76%	0.76	S	S	*	*			trans	-82.5	118.7	167	55.6	0	0	0	0	111.1	V64 K68	V64-S66 PolarHBondContact O-N 2.9Å; S66-K68 PolarHBondContact O-N 3.45Å
67	K	23.8	Very low	29.2	Very low	210 Å²	210	139.7 Å²	139.7	91%	0.913	77%	0.769	S	S	*	*			trans	-78.1	100.2	175.1	-84.6	179.9	176.7	172.6	0	110.4
68	K	22.1	Very low	26.8	Very low	197 Å²	197	143.8 Å²	143.8	86%	0.857	78%	0.781	S	S	*	*			trans	-52	130.1	165.1	-69.3	175.7	174.6	177	0	111.7	S66	S66-K68 PolarHBondContact O-N 3.45Å
69	R	22	Very low	25.7	Very low	249 Å²	249	148.4 Å²	148.4	94%	0.94	79%	0.791	S	S	*	*			trans	-120	125.7	156.9	-108.2	-179.6	170.7	166.9	-3.3	109.7
70	K	21.6	Very low	24.7	Very low	213 Å²	213	145.7 Å²	145.7	93%	0.926	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-67.7	132.8	-173.2	-76.7	173	167.4	178.5	0	112
71	I	22.4	Very low	24.2	Very low	147 Å²	147	147 Å²	147	75%	0.754	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-90.8	131.2	169.8	-67.5	170.1	0	0	0	108.5
72	G	23.2	Very low	23.9	Very low	75 Å²	75	149.9 Å²	149.9	77%	0.773	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-93.8	145	176.7	0	0	0	0	0	112.4
73	S	21.9	Very low	23.7	Very low	109 Å²	109	152.3 Å²	152.3	76%	0.762	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-78.2	148	179.7	171	0	0	0	0	112.7
74	M	21.9	Very low	23.8	Very low	159 Å²	159	152.9 Å²	152.9	78%	0.783	81%	0.807	S	S	*	*				168.4	130.3	117.5	-94.4	177	142.5	0	0	114.2
75	N	21.7	Very low	23.8	Very low	126 Å²	126	152.7 Å²	152.7	67%	0.674	81%	0.809	S	S	*	*			trans	40	118.6	135.4	-58.9	-9.7	0	0	0	120.3
76	N	21.8	Very low	23.7	Very low	144 Å²	144	151 Å²	151	77%	0.77	81%	0.805	S	S	*	*				62.9	115.6	73.3	-81	0.6	0	0	0	114.3
77	D	24.7	Very low	23.8	Very low	151 Å²	151	155.5 Å²	155.5	81%	0.807	81%	0.811	S	S	*	*			trans	165.8	103.7	142.8	-79.5	-20	0	0	0	107.1
78	L	22.9	Very low	23.7	Very low	152 Å²	152	154.2 Å²	154.2	80%	0.796	81%	0.813	S	S	*	*				73.8	136.1	76.8	-74.4	179	0	0	0	116.2
79	D	23.7	Very low	23.9	Very low	158 Å²	158	150.1 Å²	150.1	85%	0.845	81%	0.81	S	S	*	*			trans	88.2	127.8	156.1	-65.1	-21.3	0	0	0	122.1
80	G	26.7	Very low	24.2	Very low	70 Å²	70	143.6 Å²	143.6	72%	0.722	80%	0.799	S	S	*	*			trans	156.1	82.7	167.9	0	0	0	0	0	113.8
81	R	22.6	Very low	24.3	Very low	229 Å²	229	141.3 Å²	141.3	86%	0.864	79%	0.792	S	S	*	*			trans	-81.5	144.9	178.5	-66.6	172.7	176.2	179.5	-2.4	111.4
82	D	30.5	Very low	24.6	Very low	150 Å²	150	143.4 Å²	143.4	80%	0.802	80%	0.799	S	S	*	*			trans	-160.1	155.2	150.6	-97.5	-25.8	0	0	0	110.3
83	P	26.5	Very low	24.6	Very low	118 Å²	118	147.1 Å²	147.1	77%	0.766	80%	0.796	S	S	*	*			trans	-100.8	155.5	-142	14.2	4.1	0	0	0	115.9
84	L	23.7	Very low	24.7	Very low	148 Å²	148	152.8 Å²	152.8	78%	0.775	80%	0.802	S	S	*	*			trans	-73.1	147.7	178.4	-69.8	107.3	0	0	0	113.5
85	P	27.6	Very low	24.8	Very low	131 Å²	131	152.6 Å²	152.6	85%	0.851	80%	0.803	S	S	*	*			trans	-91	106.1	154.6	12.9	5.4	0	0	0	110.4
86	T	22.2	Very low	25	Very low	127 Å²	127	152 Å²	152	78%	0.779	81%	0.808	S	S	*	*			trans	-81.4	128.3	156.6	31.5	0	0	0	0	109.9
87	K	26.1	Very low	25.3	Very low	203 Å²	203	149.5 Å²	149.5	88%	0.883	80%	0.802	S	S	*	*			trans	-172.9	107	131.4	-103.3	171.5	-175.3	-173.9	0	110.1
88	L	23	Very low	25.6	Very low	182 Å²	182	149.5 Å²	149.5	95%	0.953	80%	0.802	S	S	*	*			trans	-64.2	134.7	156	-76.2	143.9	0	0	0	108.3
89	S	26	Very low	25.9	Very low	112 Å²	112	151.6 Å²	151.6	78%	0.783	81%	0.807	S	S	*	*			trans	-133.8	151	162.7	59.6	0	0	0	0	109.5
90	P	28.8	Very low	26.1	Very low	111 Å²	111	149.6 Å²	149.6	72%	0.721	80%	0.801	S	S	*	*			trans	-104.6	159.2	-140.2	35.6	-27.7	0	0	0	114.6
91	E	23.7	Very low	26.2	Very low	165 Å²	165	152.4 Å²	152.4	77%	0.771	81%	0.806	S	S	*	*			trans	49.7	107.9	145.6	-66.8	176.6	-178.3	0	0	119.1
92	E	27.2	Very low	26.8	Very low	191 Å²	191	146.4 Å²	146.4	89%	0.893	80%	0.799	S	S	*	*			trans	-133.9	114.2	140.4	-72.6	-168.5	158.4	0	0	110.1
93	H	23.1	Very low	27.6	Very low	154 Å²	154	145.2 Å²	145.2	71%	0.713	80%	0.798	S	S	*	*			trans	-70.6	131.3	168.6	-76.5	-74.9	0	0	0	110.8
94	Y	25.5	Very low	29.2	Very low	227 Å²	227	143 Å²	143	89%	0.89	78%	0.779	S	S	*	*			trans	-136.5	120.3	148	-97.8	-82.7	0	0	0	110.6
95	I	23.5	Very low	31.7	Very low	156 Å²	156	141.5 Å²	141.5	80%	0.8	78%	0.776	S	S	*	*			trans	-105.8	127.8	166.2	-62.9	174.8	0	0	0	106.3
96	S	26.1	Very low	34.5	Very low	113 Å²	113	137 Å²	137	79%	0.79	74%	0.743	S	S	*	*			trans	-167.6	149.1	146.3	-169.1	0	0	0	0	112.6
97	S	27.1	Very low	37.6	Very low	91 Å²	91	134.9 Å²	134.9	64%	0.636	72%	0.721	S	S	*	*			trans	-54.5	135.4	-175.2	53.2	0	0	0	0	118.7
98	D	31.4	Very low	40.7	Very low	151 Å²	151	129.9 Å²	129.9	81%	0.807	70%	0.701	S	S	*	*				159.5	104.3	122.8	-82.1	-21.5	0	0	0	109.5	V100	D98-V100 PolarHBondContact O-N 3.47Å; D98-V100 VanDerWaalsContact O-N 3.09Å
99	H	28.4	Very low	43.7	Very low	196 Å²	196	122.1 Å²	122.1	91%	0.907	66%	0.66	S	S	*	*			trans	-78.5	92.3	-174.5	-84.1	-63.3	0	0	0	112.4
100	V	28.3	Very low	46.3	Very low	117 Å²	117	121.8 Å²	121.8	71%	0.709	67%	0.665	S	S	*	*			trans	-124	117.4	141.6	-176.6	0	0	0	0	106	D98 S102	D98-V100 PolarHBondContact O-N 3.47Å; D98-V100 VanDerWaalsContact O-N 3.09Å; V100-S102 PolarHBondContact O-N 3.06Å
101	P	28.6	Very low	49	Very low	129 Å²	129	121.2 Å²	121.2	84%	0.838	66%	0.663	S	S	*	*			trans	-75	95.5	-171	29.2	-32.7	0	0	0	110
102	S	35.3	Very low	52.1	Low	102 Å²	102	114.1 Å²	114.1	71%	0.713	63%	0.632	S	S	*	*			trans	-136	21.2	177.6	65.9	0	0	0	0	115.6	V100	V100-S102 PolarHBondContact O-N 3.06Å
103	T	48.4	Very low	54.8	Low	126 Å²	126	109.5 Å²	109.5	77%	0.773	62%	0.618	S	S	*	*			trans	-125.9	107.2	160	26	0	0	0	0	109.6	T105	T103-T105 PolarHBondContact O-N 2.91Å
104	L	58.5	Low	58	Low	72 Å²	72	109 Å²	109	38%	0.377	61%	0.61	S	S	.	*			trans	-55.4	120.6	164	-70.1	165.4	0	0	0	107.3	F106 P144 W145	L104-F106 HydrophobicContact CB-CD2 4.43Å; L104-F106 HydrophobicContact CB-CE2 3.62Å; L104-F106 HydrophobicContact CB-CZ 3.71Å; L104-F106 HydrophobicContact CD1-CZ 4.18Å; L104-F106 WeakPolarHBondContact O-CD2 3.14Å; L104-P144 HydrophobicContact CD2-CG 3.15Å; L104-W145 HydrophobicContact CD1-CD2 4.43Å; L104-W145 HydrophobicContact CD1-CH2 3.95Å; L104-W145 HydrophobicContact CD1-CZ2 3.38Å
105	T	76.7	Confident	61.4	Low	115 Å²	115	99.3 Å²	99.3	71%	0.706	57%	0.572	S	S	*	*			trans	-91.5	123.4	178.9	-53.6	0	0	0	0	108	T103 H143	T103-T105 PolarHBondContact O-N 2.91Å; T105-H143 PolarHBondContact O-CD2 3.17Å; T105-H143 VanDerWaalsContact O-CD2 3.22Å
106	F	86.6	Confident	64.9	Low	38 Å²	38	92.4 Å²	92.4	17%	0.167	54%	0.537	C	S	.	.			trans	-112	158.5	179.9	-60	-84.7	0	0	0	111.9	L104 H108 V116 W139 H143 W145 I177	L104-F106 HydrophobicContact CB-CD2 4.43Å; L104-F106 HydrophobicContact CB-CE2 3.62Å; L104-F106 HydrophobicContact CB-CZ 3.71Å; L104-F106 HydrophobicContact CD1-CZ 4.18Å; L104-F106 WeakPolarHBondContact O-CD2 3.14Å; F106-H108 PolarHBondContact O-CD2 2.91Å; F106-V116 HydrophobicContact CB-CG1 3.51Å; F106-V116 HydrophobicContact CD1-CG1 3.6Å; F106-V116 HydrophobicContact CD2-CG1 4.44Å; F106-V116 HydrophobicContact CE1-CG1 4.42Å; F106-V116 HydrophobicContact CG-CG1 3.61Å; F106-W139 HydrophobicContact CD1-CD2 4.38Å; F106-W139 AromaticContact CD1-CE3 3.62Å; F106-W139 HydrophobicContact CD1-CE3 3.62Å; F106-W139 HydrophobicContact CD1-CZ3 4.16Å; F106-W139 HydrophobicContact CE1-CD2 4.31Å; F106-W139 AromaticContact CE1-CE3 3.81Å; F106-W139 HydrophobicContact CE1-CE3 3.81Å; F106-W139 HydrophobicContact CE1-CZ3 4.21Å; F106-H143 AromaticContact CD1-NE2 3.76Å; F106-H143 AromaticContact CE1-CE1 3.56Å; F106-H143 AromaticContact CE1-NE2 3.45Å; F106-H143 WeakPolarHBondContact CE1-NE2 3.48Å; F106-H143 AromaticContact CZ-NE2 3.89Å; F106-W145 AromaticContact CE1-CE3 3.64Å; F106-W145 HydrophobicContact CE1-CE3 3.64Å; F106-W145 HydrophobicContact CE1-CH2 4.23Å; F106-W145 AromaticContact CE1-CZ3 3.44Å; F106-W145 HydrophobicContact CE1-CZ3 3.44Å; F106-W145 VanDerWaalsContact CE1-CZ3 3.44Å; F106-W145 AromaticContact CZ-CE3 3.93Å; F106-W145 HydrophobicContact CZ-CE3 3.93Å; F106-W145 AromaticContact CZ-CH2 3.68Å; F106-W145 HydrophobicContact CZ-CH2 3.68Å; F106-W145 AromaticContact CZ-CZ3 3.36Å; F106-W145 HydrophobicContact CZ-CZ3 3.36Å; F106-I177 HydrophobicContact CE1-CD1 4.08Å; F106-I177 HydrophobicContact CZ-CD1 4.19Å
107	Y	87.7	Confident	68.3	Low	82 Å²	82	87.7 Å²	87.7	32%	0.322	50%	0.503	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	144.5	159.8	-65.8	-59.6	0	0	0	110.5	V116 M117 Y119 Y138 W139 P141	Y107-V116 CarbonylContact O-C 3.47Å; Y107-V116 WeakPolarHBondContact O-CA 3.28Å; Y107-M117 PolarHBondContact O-N 2.93Å; Y107-Y119 AromaticContact CD2-CE2 3.94Å; Y107-Y119 HydrophobicContact CD2-CE2 3.94Å; Y107-Y119 HydrophobicContact CE2-CE2 4.3Å; Y107-Y138 HydrophobicContact CE2-CD1 4.48Å; Y107-Y138 AromaticContact CE2-CE1 3.79Å; Y107-Y138 HydrophobicContact CE2-CE1 3.79Å; Y107-W139 WeakPolarHBondContact CD2-O 3.36Å; Y107-P141 WeakPolarHBondContact OH-CD 3.48Å
108	H	90.8	Very high	71.6	Confident	97 Å²	97	83.4 Å²	83.4	45%	0.449	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	149.3	178.3	-66.8	-92.4	0	0	0	110.7	F106 A110 P113 R115	F106-H108 PolarHBondContact O-CD2 2.91Å; H108-A110 PolarHBondContact O-N 2.71Å; H108-P113 PolarHBondContact ND1-O 3.4Å; H108-R115 VanDerWaalsContact CA-O 3.3Å; H108-R115 WeakPolarHBondContact CA-O 3.44Å
109	D	85.7	Confident	74.8	Confident	19 Å²	19	78.1 Å²	78.1	10%	0.102	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	122.5	171.8	-177.5	-21.2	0	0	0	109.4	S111 C112 R115 M117 Y236	D109-S111 VanDerWaalsContact CG-OG 3.25Å; D109-S111 PolarHBondContact O-N 2.93Å; D109-S111 VanDerWaalsContact O-N 3.15Å; D109-S111 WeakPolarHBondContact OD1-CA 3.45Å; D109-S111 WeakPolarHBondContact OD1-CB 3.45Å; D109-S111 PolarHBondContact OD1-N 2.95Å; D109-S111 PolarHBondContact OD1-OG 3.19Å; D109-S111 PolarHBondContact OD2-OG 3.37Å; D109-C112 HydrophobicContact CB-CB 4.18Å; D109-C112 CarbonylContact O-C 3.48Å; D109-C112 PolarHBondContact O-N 3.11Å; D109-R115 HydrophobicContact CB-CB 4.03Å; D109-R115 HydrophobicContact CB-CG 4.4Å; D109-R115 PolarHBondContact N-O 3.24Å; D109-R115 IonicContact OD2-NH1 3.39Å; D109-R115 PolarHBondContact OD2-NH1 3.48Å; D109-M117 HydrophobicContact CB-CG 4.43Å; D109-M117 HydrophobicContact CB-SD 3.78Å; D109-Y236 PolarHBondContact OD2-OH 2.87Å
110	A	81.9	Confident	78.1	Confident	106 Å²	106	68.8 Å²	68.8	88%	0.876	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-30	179	0	0	0	0	0	113.1	H108	H108-A110 PolarHBondContact O-N 2.71Å
111	S	85.4	Confident	81.4	Confident	98 Å²	98	63.4 Å²	63.4	69%	0.685	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-15.3	176.7	72.4	0	0	0	0	113.7	D109	D109-S111 VanDerWaalsContact CG-OG 3.25Å; D109-S111 PolarHBondContact O-N 2.93Å; D109-S111 VanDerWaalsContact O-N 3.15Å; D109-S111 WeakPolarHBondContact OD1-CA 3.45Å; D109-S111 WeakPolarHBondContact OD1-CB 3.45Å; D109-S111 PolarHBondContact OD1-N 2.95Å; D109-S111 PolarHBondContact OD1-OG 3.19Å; D109-S111 PolarHBondContact OD2-OG 3.37Å
112	C	87.8	Confident	84.6	Confident	17 Å²	17	57.4 Å²	57.4	12%	0.115	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	81.2	-173.6	-171.4	0	0	0	0	110.2	D109 R114 R115	D109-C112 HydrophobicContact CB-CB 4.18Å; D109-C112 CarbonylContact O-C 3.48Å; D109-C112 PolarHBondContact O-N 3.11Å; C112-R114 PolarHBondContact O-N 3.23Å; C112-R114 WeakPolarHBondContact SG-CG 3.35Å; C112-R114 PolarHBondContact SG-NE 2.93Å; C112-R114 VanDerWaalsContact SG-NE 3.42Å; C112-R115 HydrophobicContact CB-CB 4.28Å; C112-R115 WeakPolarHBondContact O-CB 3.28Å; C112-R115 PolarHBondContact O-N 2.63Å
113	P	83.8	Confident	87.2	Confident	93 Å²	93	52.9 Å²	52.9	60%	0.604	30%	0.295	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.6	-22.6	-173.5	-27.8	35.4	0	0	0	114.9	H108 R115	H108-P113 PolarHBondContact ND1-O 3.4Å; P113-R115 PolarHBondContact O-N 2.86Å
114	R	91.1	Very high	89.1	Confident	145 Å²	145	48.5 Å²	48.5	55%	0.547	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	-18.8	173.2	62.7	178.1	-174.3	149.8	19	113.7	C112 H179 E232	C112-R114 PolarHBondContact O-N 3.23Å; C112-R114 WeakPolarHBondContact SG-CG 3.35Å; C112-R114 PolarHBondContact SG-NE 2.93Å; C112-R114 VanDerWaalsContact SG-NE 3.42Å; R114-H179 PolarHBondContact NH1-NE2 3.17Å; R114-E232 IonicContact NH2-OE1 3.92Å; R114-E232 IonicContact NH2-OE2 3.49Å; R114-E232 PolarHBondContact NH2-OE2 3.45Å
115	R	96.8	Very high	89.9	Confident	23 Å²	23	46.8 Å²	46.8	9%	0.087	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	115.8	-177.7	-175.8	175.2	-62.4	119.2	3.7	109.8	H108 D109 C112 P113 M117 H179 E232 Y236	H108-R115 VanDerWaalsContact CA-O 3.3Å; H108-R115 WeakPolarHBondContact CA-O 3.44Å; D109-R115 HydrophobicContact CB-CB 4.03Å; D109-R115 HydrophobicContact CB-CG 4.4Å; D109-R115 PolarHBondContact N-O 3.24Å; D109-R115 IonicContact OD2-NH1 3.39Å; D109-R115 PolarHBondContact OD2-NH1 3.48Å; C112-R115 HydrophobicContact CB-CB 4.28Å; C112-R115 WeakPolarHBondContact O-CB 3.28Å; C112-R115 PolarHBondContact O-N 2.63Å; P113-R115 PolarHBondContact O-N 2.86Å; R115-M117 HydrophobicContact CG-SD 4.26Å; R115-H179 WeakPolarHBondContact CA-O 3.23Å; R115-H179 HydrophobicContact CB-CB 4.26Å; R115-E232 IonicContact NH2-OE1 2.62Å; R115-E232 PolarHBondContact NH2-OE1 3Å; R115-E232 VanDerWaalsContact NH2-OE1 3.07Å; R115-Y236 WeakPolarHBondContact CD-OH 3.05Å; R115-Y236 PolarHBondContact NH1-OH 3.43Å
116	V	96.5	Very high	89.2	Confident	10 Å²	10	44 Å²	44	6%	0.061	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	136.6	175.2	-175.8	0	0	0	0	109.2	F106 Y107 W139 I177 H179 L180 G181	F106-V116 HydrophobicContact CB-CG1 3.51Å; F106-V116 HydrophobicContact CD1-CG1 3.6Å; F106-V116 HydrophobicContact CD2-CG1 4.44Å; F106-V116 HydrophobicContact CE1-CG1 4.42Å; F106-V116 HydrophobicContact CG-CG1 3.61Å; Y107-V116 CarbonylContact O-C 3.47Å; Y107-V116 WeakPolarHBondContact O-CA 3.28Å; V116-W139 HydrophobicContact CG1-CE3 4.11Å; V116-W139 HydrophobicContact CG1-CZ3 3.71Å; V116-I177 HydrophobicContact CB-CD1 3.99Å; V116-I177 HydrophobicContact CB-CG2 4.01Å; V116-I177 HydrophobicContact CG1-CD1 3.83Å; V116-I177 HydrophobicContact CG2-CD1 3.99Å; V116-I177 HydrophobicContact CG2-CG1 4.1Å; V116-I177 HydrophobicContact CG2-CG2 3.94Å; V116-H179 PolarHBondContact N-O 2.91Å; V116-L180 CarbonylContact O-C 3.58Å; V116-L180 WeakPolarHBondContact O-CA 3.09Å; V116-G181 PolarHBondContact O-N 3.07Å
117	M	96.7	Very high	88	Confident	15 Å²	15	45.9 Å²	45.9	7%	0.074	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	136.5	-179	-55.5	-61.5	-64.9	0	0	110.8	Y107 D109 R115 G181 V183 Y236	Y107-M117 PolarHBondContact O-N 2.93Å; D109-M117 HydrophobicContact CB-CG 4.43Å; D109-M117 HydrophobicContact CB-SD 3.78Å; R115-M117 HydrophobicContact CG-SD 4.26Å; M117-G181 WeakPolarHBondContact CA-O 3.41Å; M117-V183 HydrophobicContact CE-CG2 3.49Å; M117-V183 VanDerWaalsContact CE-CG2 3.49Å; M117-Y236 HydrophobicContact CE-CD1 4.34Å; M117-Y236 HydrophobicContact CE-CD2 3.58Å; M117-Y236 HydrophobicContact CE-CE1 4.38Å; M117-Y236 HydrophobicContact CE-CE2 3.67Å; M117-Y236 HydrophobicContact CE-CG 3.96Å; M117-Y236 HydrophobicContact SD-CE2 4.1Å
118	V	98	Very high	86.9	Confident	0 Å²	0	48 Å²	48	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	139.5	173.8	63.8	0	0	0	0	109.6	T120 V137 W139 A168 L180 G181 I182 V183	V118-T120 HydrophobicContact CG2-CG2 4.31Å; V118-V137 HydrophobicContact CG2-CG1 3.47Å; V118-V137 VanDerWaalsContact CG2-CG1 3.47Å; V118-W139 HydrophobicContact CB-CD2 4.04Å; V118-W139 HydrophobicContact CB-CE3 3.76Å; V118-W139 HydrophobicContact CB-CH2 3.84Å; V118-W139 HydrophobicContact CB-CZ2 4.08Å; V118-W139 HydrophobicContact CB-CZ3 3.68Å; V118-W139 HydrophobicContact CG1-CH2 4.25Å; V118-W139 HydrophobicContact CG1-CZ3 4.42Å; V118-W139 HydrophobicContact CG2-CD2 3.67Å; V118-W139 HydrophobicContact CG2-CE3 3.95Å; V118-W139 HydrophobicContact CG2-CG 4.21Å; V118-W139 HydrophobicContact CG2-CH2 4.05Å; V118-W139 HydrophobicContact CG2-CZ2 3.74Å; V118-W139 HydrophobicContact CG2-CZ3 4.15Å; V118-A168 HydrophobicContact CG1-CB 4.08Å; V118-A168 HydrophobicContact CG2-CB 3.99Å; V118-L180 HydrophobicContact CB-CD1 4.4Å; V118-L180 HydrophobicContact CG1-CD1 3.81Å; V118-L180 HydrophobicContact CG1-CD2 4.36Å; V118-L180 HydrophobicContact CG1-CG 4.19Å; V118-G181 PolarHBondContact N-O 2.81Å; V118-I182 HydrophobicContact CG1-CB 4.46Å; V118-I182 HydrophobicContact CG1-CG1 3.99Å; V118-V183 PolarHBondContact O-N 2.74Å
119	Y	98.1	Very high	85.6	Confident	41 Å²	41	51.4 Å²	51.4	16%	0.161	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	134.9	175.1	-58.8	-100.9	0	0	0	109.2	Y107 Y138 V183 V244 G246 N247	Y107-Y119 AromaticContact CD2-CE2 3.94Å; Y107-Y119 HydrophobicContact CD2-CE2 3.94Å; Y107-Y119 HydrophobicContact CE2-CE2 4.3Å; Y119-Y138 AromaticContact CD2-CD1 3.98Å; Y119-Y138 HydrophobicContact CD2-CD1 3.98Å; Y119-Y138 HydrophobicContact CG-CD1 4.49Å; Y119-Y138 PolarHBondContact N-O 3.46Å; Y119-Y138 PolarHBondContact O-N 3.46Å; Y119-V183 CarbonylContact C-O 3.49Å; Y119-V183 WeakPolarHBondContact CA-O 3.5Å; Y119-V183 HydrophobicContact CD1-CB 3.53Å; Y119-V183 HydrophobicContact CD1-CG1 3.58Å; Y119-V183 HydrophobicContact CD1-CG2 4.06Å; Y119-V183 HydrophobicContact CE1-CB 3.85Å; Y119-V183 HydrophobicContact CE1-CG1 3.67Å; Y119-V183 HydrophobicContact CE1-CG2 3.95Å; Y119-V183 HydrophobicContact CG-CB 4.1Å; Y119-V244 HydrophobicContact CE1-CG1 4Å; Y119-G246 WeakPolarHBondContact CB-O 3.5Å; Y119-N247 HydrophobicContact CD1-CB 4.38Å
120	T	98	Very high	84.6	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	134.8	-177.1	61.2	0	0	0	0	110.8	V118 G136 V137 A164 V165 A168 I182 V183 T184	V118-T120 HydrophobicContact CG2-CG2 4.31Å; T120-G136 WeakPolarHBondContact CA-O 3.49Å; T120-V137 HydrophobicContact CG2-CG1 4.47Å; T120-A164 HydrophobicContact CG2-CB 4.39Å; T120-V165 HydrophobicContact CG2-CG2 4.47Å; T120-A168 HydrophobicContact CG2-CB 3.77Å; T120-I182 HydrophobicContact CG2-CG2 4.29Å; T120-V183 PolarHBondContact N-O 2.81Å; T120-T184 WeakPolarHBondContact O-CB 3.2Å; T120-T184 PolarHBondContact O-OG1 3.29Å; T120-T184 VanDerWaalsContact O-OG1 3.06Å
121	D	96.6	Very high	84.5	Confident	4 Å²	4	53 Å²	53	2%	0.021	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	158.3	177.1	-151.9	-17.6	0	0	0	111.3	Y135 G136 A164 A250 D251 A254	D121-Y135 WeakPolarHBondContact O-CA 3.42Å; D121-G136 PolarHBondContact N-O 3.31Å; D121-G136 VanDerWaalsContact N-O 3.07Å; D121-G136 PolarHBondContact O-N 2.89Å; D121-A164 WeakPolarHBondContact O-CB 3.36Å; D121-A250 HydrophobicContact CB-CB 3.93Å; D121-D251 WeakPolarHBondContact OD2-CA 3.46Å; D121-D251 VanDerWaalsContact OD2-CB 3.28Å; D121-D251 WeakPolarHBondContact OD2-CB 3.1Å; D121-A254 HydrophobicContact CB-CB 4.27Å
122	G	94.9	Very high	84.3	Confident	2 Å²	2	50.2 Å²	50.2	2%	0.021	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	136.8	171.3	0	0	0	0	0	110.2	G134 N157	G122-G134 WeakPolarHBondContact CA-O 3.31Å; G122-N157 PolarHBondContact O-ND2 2.95Å; G122-N157 PolarHBondContact O-OD1 2.69Å
123	S	90.6	Very high	84.4	Confident	8 Å²	8	49.4 Å²	49.4	6%	0.056	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	150.2	176.5	179.2	0	0	0	0	110	N125 A133 G134 N157 N255	S123-N125 PolarHBondContact OG-ND2 2.84Å; S123-A133 CarbonylContact O-C 3.38Å; S123-A133 WeakPolarHBondContact O-CA 3.49Å; S123-A133 WeakPolarHBondContact O-CB 3.27Å; S123-G134 PolarHBondContact N-O 3.36Å; S123-G134 PolarHBondContact O-N 3.26Å; S123-N157 WeakPolarHBondContact CA-OD1 3.1Å; S123-N255 PolarHBondContact OG-OD1 3.43Å
124	C	89.6	Confident	84.6	Confident	33 Å²	33	45 Å²	45	22%	0.223	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	110.9	172.3	-177.3	0	0	0	0	109.9	R132 A133 N157	C124-R132 CarbonylContact C-O 3.57Å; C124-R132 WeakPolarHBondContact CA-O 3.26Å; C124-A133 HydrophobicContact CB-CB 3.93Å; C124-N157 HydrophobicContact CB-CB 4.03Å; C124-N157 PolarHBondContact N-OD1 2.98Å
125	N	75.1	Confident	84.7	Confident	37 Å²	37	38.9 Å²	38.9	20%	0.198	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	169	-177.9	-65.6	-66.9	0	0	0	111.1	S123 R131 R132 N255 R259	S123-N125 PolarHBondContact OG-ND2 2.84Å; N125-R131 CarbonylContact O-C 3.52Å; N125-R131 VanDerWaalsContact O-CA 3.31Å; N125-R131 WeakPolarHBondContact O-CA 3.36Å; N125-R132 PolarHBondContact N-O 3.3Å; N125-R132 PolarHBondContact O-N 2.75Å; N125-N255 PolarHBondContact ND2-OD1 2.92Å; N125-R259 HydrophobicContact CB-CG 4.4Å; N125-R259 VanDerWaalsContact CG-NE 3.3Å; N125-R259 PolarHBondContact ND2-NE 3.45Å; N125-R259 PolarHBondContact OD1-NH2 2.87Å
126	G	61.7	Low	84.6	Confident	56 Å²	56	37.8 Å²	37.8	58%	0.577	21%	0.212	S	C	*	.	S	Bend	trans	98.2	161	173	0	0	0	0	0	115.2
127	A	61.5	Low	84.6	Confident	77 Å²	77	37.3 Å²	37.3	64%	0.636	21%	0.209	S	C	*	.			trans	-67.5	161.6	175.8	0	0	0	0	0	110.7	D129 D130 R131	A127-D129 PolarHBondContact O-N 2.93Å; A127-D130 CarbonylContact O-C 3.58Å; A127-D130 VanDerWaalsContact O-C 3.25Å; A127-D130 PolarHBondContact O-N 3.47Å; A127-R131 WeakPolarHBondContact O-CG 3.26Å; A127-R131 PolarHBondContact O-N 3.42Å
128	H	63.1	Low	84.5	Confident	127 Å²	127	36.7 Å²	36.7	59%	0.588	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.9	-31.8	-167.1	-147.1	-77.7	0	0	0	115	R131	H128-R131 PolarHBondContact CD2-NH2 3.02Å; H128-R131 PolarHBondContact CE1-NH2 3.4Å; H128-R131 VanDerWaalsContact CG-NH2 3.35Å; H128-R131 PolarHBondContact ND1-NH2 3.02Å; H128-R131 VanDerWaalsContact ND1-NH2 3.13Å; H128-R131 PolarHBondContact NE2-NH2 3.35Å
129	D	63.9	Low	84.3	Confident	168 Å²	168	36.7 Å²	36.7	90%	0.898	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.7	-13	-179.1	-58.8	-23.6	0	0	0	114.1	A127	A127-D129 PolarHBondContact O-N 2.93Å
130	D	66.2	Low	83.7	Confident	76 Å²	76	35 Å²	35	41%	0.406	20%	0.2	S	C	.	.	S	Bend	trans	-123.9	40.4	174.5	-173.4	23.8	0	0	0	109.9	A127 R132	A127-D130 CarbonylContact O-C 3.58Å; A127-D130 VanDerWaalsContact O-C 3.25Å; A127-D130 PolarHBondContact O-N 3.47Å; D130-R132 WeakPolarHBondContact O-CG 3.42Å; D130-R132 PolarHBondContact O-N 2.84Å; D130-R132 IonicContact OD1-CZ 2.94Å; D130-R132 IonicContact OD1-NE 3.19Å; D130-R132 PolarHBondContact OD1-NE 3.4Å; D130-R132 IonicContact OD1-NH2 3.9Å; D130-R132 PolarHBondContact OD1-NH2 3.3Å; D130-R132 IonicContact OD2-CZ 3.25Å; D130-R132 IonicContact OD2-NE 3.68Å; D130-R132 IonicContact OD2-NH2 3.52Å; D130-R132 PolarHBondContact OD2-NH2 2.92Å
131	R	78.6	Confident	82.6	Confident	84 Å²	84	39 Å²	39	32%	0.317	23%	0.227	S	C	.	.			trans	-67.8	135.1	175.6	-86.5	-167.2	-97.2	-174.6	-10.6	109.5	N125 A127 H128 Q155	N125-R131 CarbonylContact O-C 3.52Å; N125-R131 VanDerWaalsContact O-CA 3.31Å; N125-R131 WeakPolarHBondContact O-CA 3.36Å; A127-R131 WeakPolarHBondContact O-CG 3.26Å; A127-R131 PolarHBondContact O-N 3.42Å; H128-R131 PolarHBondContact CD2-NH2 3.02Å; H128-R131 PolarHBondContact CE1-NH2 3.4Å; H128-R131 VanDerWaalsContact CG-NH2 3.35Å; H128-R131 PolarHBondContact ND1-NH2 3.02Å; H128-R131 VanDerWaalsContact ND1-NH2 3.13Å; H128-R131 PolarHBondContact NE2-NH2 3.35Å; R131-Q155 HydrophobicContact CB-CB 3.98Å; R131-Q155 WeakPolarHBondContact O-CB 3.22Å; R131-Q155 WeakPolarHBondContact O-CG 3.5Å
132	R	80.6	Confident	81	Confident	39 Å²	39	46.2 Å²	46.2	15%	0.147	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	117.2	178.3	-48	-172.7	-179.5	-173.3	7.5	108.5	C124 N125 D130 R150 A258 E458	C124-R132 CarbonylContact C-O 3.57Å; C124-R132 WeakPolarHBondContact CA-O 3.26Å; N125-R132 PolarHBondContact N-O 3.3Å; N125-R132 PolarHBondContact O-N 2.75Å; D130-R132 WeakPolarHBondContact O-CG 3.42Å; D130-R132 PolarHBondContact O-N 2.84Å; D130-R132 IonicContact OD1-CZ 2.94Å; D130-R132 IonicContact OD1-NE 3.19Å; D130-R132 PolarHBondContact OD1-NE 3.4Å; D130-R132 IonicContact OD1-NH2 3.9Å; D130-R132 PolarHBondContact OD1-NH2 3.3Å; D130-R132 IonicContact OD2-CZ 3.25Å; D130-R132 IonicContact OD2-NE 3.68Å; D130-R132 IonicContact OD2-NH2 3.52Å; D130-R132 PolarHBondContact OD2-NH2 2.92Å; R132-R150 VanDerWaalsContact CB-CZ 3.45Å; R132-A258 WeakPolarHBondContact CB-O 3.38Å; R132-E458 IonicContact NH1-OE2 3.97Å; R132-E458 PolarHBondContact NH1-OE2 3.03Å
133	A	89.9	Confident	80.3	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	145.1	178.2	0	0	0	0	0	110.1	S123 C124 R150 L151 Q155 A160	S123-A133 CarbonylContact O-C 3.38Å; S123-A133 WeakPolarHBondContact O-CA 3.49Å; S123-A133 WeakPolarHBondContact O-CB 3.27Å; C124-A133 HydrophobicContact CB-CB 3.93Å; A133-R150 VanDerWaalsContact O-CD 3.22Å; A133-R150 WeakPolarHBondContact O-CD 3.42Å; A133-R150 PolarHBondContact O-NE 3.03Å; A133-L151 HydrophobicContact CB-CB 4.01Å; A133-L151 HydrophobicContact CB-CD2 3.81Å; A133-L151 VanDerWaalsContact O-CB 3.29Å; A133-L151 WeakPolarHBondContact O-CB 3.41Å; A133-L151 PolarHBondContact O-N 3.4Å; A133-Q155 HydrophobicContact CB-CB 4.29Å; A133-Q155 PolarHBondContact O-OE1 2.83Å; A133-A160 HydrophobicContact CB-CB 4.25Å
134	G	88.9	Confident	79.5	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	160.9	178.9	0	0	0	0	0	110.5	G122 S123 E149 A160 A254	G122-G134 WeakPolarHBondContact CA-O 3.31Å; S123-G134 PolarHBondContact N-O 3.36Å; S123-G134 PolarHBondContact O-N 3.26Å; G134-E149 CarbonylContact C-O 3.5Å; G134-E149 WeakPolarHBondContact CA-O 3.48Å; G134-A160 WeakPolarHBondContact O-CB 3.33Å; G134-A254 CarbonylContact C-O 3.31Å
135	Y	94.3	Very high	79.4	Confident	16 Å²	16	50.8 Å²	50.8	6%	0.063	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	141	-169	69.3	-90.7	0	0	0	110.8	D121 V147 E149 A160 E163 A164 C167	D121-Y135 WeakPolarHBondContact O-CA 3.42Å; Y135-V147 HydrophobicContact CD2-CG1 4.29Å; Y135-V147 HydrophobicContact CE2-CG1 3.67Å; Y135-E149 HydrophobicContact CD1-CB 4.15Å; Y135-E149 WeakPolarHBondContact CD1-O 3.3Å; Y135-E149 HydrophobicContact CE1-CB 3.47Å; Y135-E149 VanDerWaalsContact CE1-CB 3.47Å; Y135-E149 HydrophobicContact CE2-CB 4.21Å; Y135-E149 PolarHBondContact N-O 3.47Å; Y135-E149 PolarHBondContact O-N 3.01Å; Y135-E149 VanDerWaalsContact O-N 3.15Å; Y135-E149 PolarHBondContact OH-OE2 3.34Å; Y135-A160 VanDerWaalsContact CB-O 3.25Å; Y135-A160 WeakPolarHBondContact CB-O 3.49Å; Y135-E163 HydrophobicContact CD1-CB 4.12Å; Y135-E163 HydrophobicContact CD1-CG 3.84Å; Y135-E163 HydrophobicContact CD2-CG 4.42Å; Y135-E163 HydrophobicContact CE1-CB 4.46Å; Y135-E163 HydrophobicContact CE1-CG 3.68Å; Y135-E163 HydrophobicContact CE2-CG 4.24Å; Y135-E163 HydrophobicContact CG-CB 4.18Å; Y135-E163 HydrophobicContact CG-CG 4.2Å; Y135-A164 HydrophobicContact CD2-CB 4.32Å; Y135-C167 HydrophobicContact CD2-CB 4.47Å; Y135-C167 HydrophobicContact CE2-CB 3.77Å
136	G	94.1	Very high	79.9	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	132.2	-174.3	0	0	0	0	0	111	T120 D121 V147	T120-G136 WeakPolarHBondContact CA-O 3.49Å; D121-G136 PolarHBondContact N-O 3.31Å; D121-G136 VanDerWaalsContact N-O 3.07Å; D121-G136 PolarHBondContact O-N 2.89Å; G136-V147 CarbonylContact C-O 3.6Å; G136-V147 VanDerWaalsContact CA-O 3.29Å; G136-V147 WeakPolarHBondContact CA-O 3.43Å
137	V	96.9	Very high	81	Confident	0 Å²	0	48 Å²	48	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	121.9	170.2	-173.7	0	0	0	0	108.1	V118 T120 N146 V147 A164 C167 A168 L253	V118-V137 HydrophobicContact CG2-CG1 3.47Å; V118-V137 VanDerWaalsContact CG2-CG1 3.47Å; T120-V137 HydrophobicContact CG2-CG1 4.47Å; V137-N146 CarbonylContact O-C 3.58Å; V137-N146 WeakPolarHBondContact O-CA 3.27Å; V137-V147 HydrophobicContact CB-CB 3.97Å; V137-V147 HydrophobicContact CB-CG2 4.41Å; V137-V147 HydrophobicContact CG2-CB 4.09Å; V137-V147 PolarHBondContact N-O 2.97Å; V137-V147 PolarHBondContact O-N 2.99Å; V137-A164 WeakPolarHBondContact CG2-O 3.42Å; V137-C167 HydrophobicContact CG2-CB 4.06Å; V137-A168 HydrophobicContact CG1-CB 3.83Å; V137-A168 HydrophobicContact CG2-CB 4.42Å; V137-L253 VanDerWaalsContact O-CD1 3.31Å; V137-L253 WeakPolarHBondContact O-CD1 3.3Å
138	Y	94.1	Very high	82.1	Confident	3 Å²	3	45 Å²	45	1%	0.012	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	118.8	-178.9	-178.6	-103.9	0	0	0	111.4	Y107 Y119 G140 P141 N146 H245 E249 L253	Y107-Y138 HydrophobicContact CE2-CD1 4.48Å; Y107-Y138 AromaticContact CE2-CE1 3.79Å; Y107-Y138 HydrophobicContact CE2-CE1 3.79Å; Y119-Y138 AromaticContact CD2-CD1 3.98Å; Y119-Y138 HydrophobicContact CD2-CD1 3.98Å; Y119-Y138 HydrophobicContact CG-CD1 4.49Å; Y119-Y138 PolarHBondContact N-O 3.46Å; Y119-Y138 PolarHBondContact O-N 3.46Å; Y138-G140 WeakPolarHBondContact CE2-O 3.22Å; Y138-P141 VanDerWaalsContact OH-CD 3.24Å; Y138-P141 WeakPolarHBondContact OH-CD 3.42Å; Y138-P141 WeakPolarHBondContact OH-CG 3.18Å; Y138-P141 VanDerWaalsContact OH-N 3.1Å; Y138-N146 WeakPolarHBondContact CA-OD1 3.45Å; Y138-N146 WeakPolarHBondContact CD2-ND2 3.01Å; Y138-H245 AromaticContact CZ-NE2 3.96Å; Y138-H245 PolarHBondContact OH-NE2 3.44Å; Y138-H245 VanDerWaalsContact OH-NE2 3.17Å; Y138-E249 HydrophobicContact CD1-CB 3.78Å; Y138-E249 HydrophobicContact CD1-CG 4.41Å; Y138-E249 HydrophobicContact CD2-CB 3.51Å; Y138-E249 HydrophobicContact CD2-CG 4.18Å; Y138-E249 HydrophobicContact CE1-CB 3.9Å; Y138-E249 HydrophobicContact CE1-CG 4.02Å; Y138-E249 HydrophobicContact CE2-CB 3.64Å; Y138-E249 HydrophobicContact CE2-CG 3.76Å; Y138-E249 HydrophobicContact CG-CB 3.57Å; Y138-E249 HydrophobicContact CG-CG 4.48Å; Y138-L253 HydrophobicContact CD2-CD1 4.17Å
139	W	93.6	Very high	83.1	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.222	C	C	.	.			trans	-104.3	-19.5	178.3	-66.4	91.9	0	0	0	112.8	F106 Y107 V116 V118 H143 W145 N146 A168 Q171 A172 I177 L180	F106-W139 HydrophobicContact CD1-CD2 4.38Å; F106-W139 AromaticContact CD1-CE3 3.62Å; F106-W139 HydrophobicContact CD1-CE3 3.62Å; F106-W139 HydrophobicContact CD1-CZ3 4.16Å; F106-W139 HydrophobicContact CE1-CD2 4.31Å; F106-W139 AromaticContact CE1-CE3 3.81Å; F106-W139 HydrophobicContact CE1-CE3 3.81Å; F106-W139 HydrophobicContact CE1-CZ3 4.21Å; Y107-W139 WeakPolarHBondContact CD2-O 3.36Å; V116-W139 HydrophobicContact CG1-CE3 4.11Å; V116-W139 HydrophobicContact CG1-CZ3 3.71Å; V118-W139 HydrophobicContact CB-CD2 4.04Å; V118-W139 HydrophobicContact CB-CE3 3.76Å; V118-W139 HydrophobicContact CB-CH2 3.84Å; V118-W139 HydrophobicContact CB-CZ2 4.08Å; V118-W139 HydrophobicContact CB-CZ3 3.68Å; V118-W139 HydrophobicContact CG1-CH2 4.25Å; V118-W139 HydrophobicContact CG1-CZ3 4.42Å; V118-W139 HydrophobicContact CG2-CD2 3.67Å; V118-W139 HydrophobicContact CG2-CE3 3.95Å; V118-W139 HydrophobicContact CG2-CG 4.21Å; V118-W139 HydrophobicContact CG2-CH2 4.05Å; V118-W139 HydrophobicContact CG2-CZ2 3.74Å; V118-W139 HydrophobicContact CG2-CZ3 4.15Å; W139-H143 HydrophobicContact CB-CB 3.95Å; W139-H143 VanDerWaalsContact CB-ND1 3.31Å; W139-H143 WeakPolarHBondContact CB-ND1 3.43Å; W139-H143 AromaticContact CG-ND1 3.78Å; W139-W145 VanDerWaalsContact CD1-C 3.48Å; W139-W145 VanDerWaalsContact CD1-CB 3.47Å; W139-W145 HydrophobicContact CD2-CE3 4.29Å; W139-W145 HydrophobicContact CG-CB 4.13Å; W139-W145 HydrophobicContact CZ2-CE3 4.18Å; W139-W145 PolarHBondContact NE1-O 3.03Å; W139-N146 PolarHBondContact N-OD1 2.93Å; W139-A168 HydrophobicContact CZ2-CB 4.41Å; W139-Q171 HydrophobicContact CZ2-CB 4.05Å; W139-A172 HydrophobicContact CH2-CB 4.04Å; W139-I177 HydrophobicContact CH2-CD1 4.04Å; W139-I177 HydrophobicContact CZ3-CD1 3.84Å; W139-L180 HydrophobicContact CH2-CD1 3.68Å; W139-L180 HydrophobicContact CZ3-CD1 3.82Å
140	G	85.1	Confident	84	Confident	4 Å²	4	39.8 Å²	39.8	4%	0.041	20%	0.198	C	C	.	.	S	Bend	trans	156.7	170.5	-177.4	0	0	0	0	0	113.3	Y138 N142 H143 N146	Y138-G140 WeakPolarHBondContact CE2-O 3.22Å; G140-N142 PolarHBondContact O-N 3.42Å; G140-H143 VanDerWaalsContact O-CB 3.29Å; G140-H143 WeakPolarHBondContact O-CB 3.29Å; G140-H143 PolarHBondContact O-N 3.09Å; G140-H143 VanDerWaalsContact O-N 3.13Å; G140-N146 PolarHBondContact O-ND2 2.98Å
141	P	75.3	Confident	85.2	Confident	86 Å²	86	36.3 Å²	36.3	56%	0.558	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.7	129.9	-179.5	-21.3	32.6	0	0	0	110	Y107 Y138 H143	Y107-P141 WeakPolarHBondContact OH-CD 3.48Å; Y138-P141 VanDerWaalsContact OH-CD 3.24Å; Y138-P141 WeakPolarHBondContact OH-CD 3.42Å; Y138-P141 WeakPolarHBondContact OH-CG 3.18Å; Y138-P141 VanDerWaalsContact OH-N 3.1Å; P141-H143 PolarHBondContact O-N 2.82Å
142	N	63.2	Low	85.5	Confident	154 Å²	154	40.4 Å²	40.4	82%	0.824	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.6	20.2	-179.3	-56.2	-45.3	0	0	0	114.5	G140	G140-N142 PolarHBondContact O-N 3.42Å
143	H	80.4	Confident	85.8	Confident	14 Å²	14	41.4 Å²	41.4	7%	0.065	22%	0.224	C	C	.	.			trans	-69.9	130.5	-177.7	-168.9	-85.3	0	0	0	109.7	T105 F106 W139 G140 P141 W145 N146	T105-H143 PolarHBondContact O-CD2 3.17Å; T105-H143 VanDerWaalsContact O-CD2 3.22Å; F106-H143 AromaticContact CD1-NE2 3.76Å; F106-H143 AromaticContact CE1-CE1 3.56Å; F106-H143 AromaticContact CE1-NE2 3.45Å; F106-H143 WeakPolarHBondContact CE1-NE2 3.48Å; F106-H143 AromaticContact CZ-NE2 3.89Å; W139-H143 HydrophobicContact CB-CB 3.95Å; W139-H143 VanDerWaalsContact CB-ND1 3.31Å; W139-H143 WeakPolarHBondContact CB-ND1 3.43Å; W139-H143 AromaticContact CG-ND1 3.78Å; G140-H143 VanDerWaalsContact O-CB 3.29Å; G140-H143 WeakPolarHBondContact O-CB 3.29Å; G140-H143 PolarHBondContact O-N 3.09Å; G140-H143 VanDerWaalsContact O-N 3.13Å; P141-H143 PolarHBondContact O-N 2.82Å; H143-W145 AromaticContact CE1-CD2 3.83Å; H143-W145 AromaticContact CE1-CE3 3.98Å; H143-W145 AromaticContact CE1-CG 3.71Å; H143-W145 WeakPolarHBondContact ND1-CB 3.49Å; H143-W145 AromaticContact ND1-CG 3.97Å; H143-W145 PolarHBondContact ND1-N 2.82Å; H143-W145 VanDerWaalsContact ND1-N 3.18Å; H143-W145 PolarHBondContact O-N 2.91Å; H143-N146 WeakPolarHBondContact O-CB 3.47Å; H143-N146 PolarHBondContact O-N 3.03Å
144	P	73.4	Confident	85.7	Confident	70 Å²	70	47.7 Å²	47.7	46%	0.455	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-5.9	-172.4	29.3	-37.3	0	0	0	114.1	L104	L104-P144 HydrophobicContact CD2-CG 3.15Å
145	W	87.2	Confident	85.7	Confident	56 Å²	56	49.3 Å²	49.3	21%	0.212	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.9	4	170.6	-61.1	-8.5	0	0	0	113.4	L104 F106 W139 H143 V147 Q171 G175 I177	L104-W145 HydrophobicContact CD1-CD2 4.43Å; L104-W145 HydrophobicContact CD1-CH2 3.95Å; L104-W145 HydrophobicContact CD1-CZ2 3.38Å; F106-W145 AromaticContact CE1-CE3 3.64Å; F106-W145 HydrophobicContact CE1-CE3 3.64Å; F106-W145 HydrophobicContact CE1-CH2 4.23Å; F106-W145 AromaticContact CE1-CZ3 3.44Å; F106-W145 HydrophobicContact CE1-CZ3 3.44Å; F106-W145 VanDerWaalsContact CE1-CZ3 3.44Å; F106-W145 AromaticContact CZ-CE3 3.93Å; F106-W145 HydrophobicContact CZ-CE3 3.93Å; F106-W145 AromaticContact CZ-CH2 3.68Å; F106-W145 HydrophobicContact CZ-CH2 3.68Å; F106-W145 AromaticContact CZ-CZ3 3.36Å; F106-W145 HydrophobicContact CZ-CZ3 3.36Å; W139-W145 VanDerWaalsContact CD1-C 3.48Å; W139-W145 VanDerWaalsContact CD1-CB 3.47Å; W139-W145 HydrophobicContact CD2-CE3 4.29Å; W139-W145 HydrophobicContact CG-CB 4.13Å; W139-W145 HydrophobicContact CZ2-CE3 4.18Å; W139-W145 PolarHBondContact NE1-O 3.03Å; H143-W145 AromaticContact CE1-CD2 3.83Å; H143-W145 AromaticContact CE1-CE3 3.98Å; H143-W145 AromaticContact CE1-CG 3.71Å; H143-W145 WeakPolarHBondContact ND1-CB 3.49Å; H143-W145 AromaticContact ND1-CG 3.97Å; H143-W145 PolarHBondContact ND1-N 2.82Å; H143-W145 VanDerWaalsContact ND1-N 3.18Å; H143-W145 PolarHBondContact O-N 2.91Å; W145-V147 PolarHBondContact O-N 3.12Å; W145-Q171 HydrophobicContact CE3-CB 4.3Å; W145-Q171 PolarHBondContact O-NE2 3.04Å; W145-Q171 PolarHBondContact O-OE1 3.25Å; W145-G175 VanDerWaalsContact CH2-CA 3.41Å; W145-I177 HydrophobicContact CZ3-CD1 3.93Å
146	N	85.2	Confident	85.6	Confident	29 Å²	29	49.8 Å²	49.8	16%	0.155	27%	0.266	C	S	.	.			trans	-62	136.3	170.4	-69	-7.5	0	0	0	109.5	V137 Y138 W139 G140 H143 L253	V137-N146 CarbonylContact O-C 3.58Å; V137-N146 WeakPolarHBondContact O-CA 3.27Å; Y138-N146 WeakPolarHBondContact CA-OD1 3.45Å; Y138-N146 WeakPolarHBondContact CD2-ND2 3.01Å; W139-N146 PolarHBondContact N-OD1 2.93Å; G140-N146 PolarHBondContact O-ND2 2.98Å; H143-N146 WeakPolarHBondContact O-CB 3.47Å; H143-N146 PolarHBondContact O-N 3.03Å; N146-L253 HydrophobicContact CB-CD1 4.13Å
147	V	85.6	Confident	85.6	Confident	6 Å²	6	52.4 Å²	52.4	4%	0.036	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	136.6	-177.8	177.6	0	0	0	0	108.9	Y135 G136 V137 W145 E149 L253	Y135-V147 HydrophobicContact CD2-CG1 4.29Å; Y135-V147 HydrophobicContact CE2-CG1 3.67Å; G136-V147 CarbonylContact C-O 3.6Å; G136-V147 VanDerWaalsContact CA-O 3.29Å; G136-V147 WeakPolarHBondContact CA-O 3.43Å; V137-V147 HydrophobicContact CB-CB 3.97Å; V137-V147 HydrophobicContact CB-CG2 4.41Å; V137-V147 HydrophobicContact CG2-CB 4.09Å; V137-V147 PolarHBondContact N-O 2.97Å; V137-V147 PolarHBondContact O-N 2.99Å; W145-V147 PolarHBondContact O-N 3.12Å; V147-E149 HydrophobicContact CG1-CB 4.04Å; V147-E149 HydrophobicContact CG1-CG 3.73Å; V147-L253 WeakPolarHBondContact O-CB 3.29Å
148	S	84.6	Confident	85.5	Confident	14 Å²	14	55.1 Å²	55.1	10%	0.098	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	101	170.5	153.9	0	0	0	0	106.1	L253 I256 G257	S148-L253 VanDerWaalsContact CB-O 3.23Å; S148-L253 WeakPolarHBondContact CB-O 3.4Å; S148-L253 PolarHBondContact OG-O 3.31Å; S148-I256 WeakPolarHBondContact OG-CB 3.28Å; S148-I256 WeakPolarHBondContact OG-CG2 3.35Å; S148-G257 PolarHBondContact OG-N 3.25Å; S148-G257 VanDerWaalsContact OG-N 3.12Å
149	E	83.4	Confident	85.6	Confident	80 Å²	80	57.1 Å²	57.1	37%	0.374	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	149.4	-173.4	-80.3	-176.7	-159.2	0	0	112.5	G134 Y135 V147 G257	G134-E149 CarbonylContact C-O 3.5Å; G134-E149 WeakPolarHBondContact CA-O 3.48Å; Y135-E149 HydrophobicContact CD1-CB 4.15Å; Y135-E149 WeakPolarHBondContact CD1-O 3.3Å; Y135-E149 HydrophobicContact CE1-CB 3.47Å; Y135-E149 VanDerWaalsContact CE1-CB 3.47Å; Y135-E149 HydrophobicContact CE2-CB 4.21Å; Y135-E149 PolarHBondContact N-O 3.47Å; Y135-E149 PolarHBondContact O-N 3.01Å; Y135-E149 VanDerWaalsContact O-N 3.15Å; Y135-E149 PolarHBondContact OH-OE2 3.34Å; V147-E149 HydrophobicContact CG1-CB 4.04Å; V147-E149 HydrophobicContact CG1-CG 3.73Å; E149-G257 VanDerWaalsContact C-CA 3.44Å; E149-G257 WeakPolarHBondContact O-CA 3.4Å
150	R	84.4	Confident	85.8	Confident	105 Å²	105	57.1 Å²	57.1	40%	0.396	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	134	171.1	-173.7	69.2	-173.7	-98.5	-8.4	109	R132 A133 E152 Q155 G257	R132-R150 VanDerWaalsContact CB-CZ 3.45Å; A133-R150 VanDerWaalsContact O-CD 3.22Å; A133-R150 WeakPolarHBondContact O-CD 3.42Å; A133-R150 PolarHBondContact O-NE 3.03Å; R150-E152 PolarHBondContact O-N 3.46Å; R150-Q155 VanDerWaalsContact CZ-OE1 3.27Å; R150-G257 WeakPolarHBondContact CA-O 3.19Å; R150-G257 WeakPolarHBondContact CB-O 3.31Å; R150-G257 VanDerWaalsContact CD-O 3.3Å; R150-G257 WeakPolarHBondContact CD-O 3.32Å; R150-G257 PolarHBondContact N-O 2.91Å
151	L	89.9	Confident	86.4	Confident	3 Å²	3	57.7 Å²	57.7	2%	0.016	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-66.6	130.8	172.1	178.6	68.9	0	0	0	109.6	A133 E154 Q155 R159 A160 E163	A133-L151 HydrophobicContact CB-CB 4.01Å; A133-L151 HydrophobicContact CB-CD2 3.81Å; A133-L151 VanDerWaalsContact O-CB 3.29Å; A133-L151 WeakPolarHBondContact O-CB 3.41Å; A133-L151 PolarHBondContact O-N 3.4Å; L151-E154 WeakPolarHBondContact CD2-O 3.28Å; L151-Q155 PolarHBondContact O-NE2 3.22Å; L151-R159 HydrophobicContact CD1-CB 4.27Å; L151-R159 HydrophobicContact CD2-CB 3.48Å; L151-R159 VanDerWaalsContact CD2-CB 3.48Å; L151-R159 HydrophobicContact CG-CB 4.48Å; L151-A160 HydrophobicContact CB-CB 4.47Å; L151-A160 HydrophobicContact CD2-CB 4.25Å; L151-E163 HydrophobicContact CD1-CB 3.85Å; L151-E163 HydrophobicContact CD1-CG 4.13Å
152	E	84.9	Confident	87.5	Confident	169 Å²	169	53.6 Å²	53.6	79%	0.79	28%	0.277	S	S	*	.	P	Polyproline II helix	trans	-78	143.4	172.2	-65.1	-173.3	164.8	0	0	112.4	R150 R159	R150-E152 PolarHBondContact O-N 3.46Å; E152-R159 PolarHBondContact O-NH1 2.91Å; E152-R159 PolarHBondContact O-NH2 2.85Å
153	G	86.7	Confident	89.1	Confident	60 Å²	60	47.5 Å²	47.5	62%	0.619	24%	0.244	S	C	*	.	S	Bend	trans	81.1	-136.8	176	0	0	0	0	0	114.2	Q155	G153-Q155 PolarHBondContact O-N 3.33Å; G153-Q155 PolarHBondContact O-NE2 2.9Å
154	E	87.9	Confident	90	Very high	132 Å²	132	46.8 Å²	46.8	62%	0.617	24%	0.24	S	C	*	.	S	Bend	trans	-63.5	121.5	-178.2	-166.3	-171.7	175.9	0	0	114.3	L151 T156 R159	L151-E154 WeakPolarHBondContact CD2-O 3.28Å; E154-T156 HydrophobicContact CG-CG2 4.05Å; E154-T156 PolarHBondContact O-N 2.7Å; E154-T156 VanDerWaalsContact O-N 3.1Å; E154-R159 VanDerWaalsContact C-NH1 3.31Å; E154-R159 PolarHBondContact O-NH1 2.85Å
155	Q	89.1	Confident	91.1	Very high	34 Å²	34	43.5 Å²	43.5	16%	0.159	22%	0.219	C	C	.	.			trans	-84.6	93.7	-169.5	-56.8	-67.2	-61	0	0	111.7	R131 A133 R150 L151 G153	R131-Q155 HydrophobicContact CB-CB 3.98Å; R131-Q155 WeakPolarHBondContact O-CB 3.22Å; R131-Q155 WeakPolarHBondContact O-CG 3.5Å; A133-Q155 HydrophobicContact CB-CB 4.29Å; A133-Q155 PolarHBondContact O-OE1 2.83Å; R150-Q155 VanDerWaalsContact CZ-OE1 3.27Å; L151-Q155 PolarHBondContact O-NE2 3.22Å; G153-Q155 PolarHBondContact O-N 3.33Å; G153-Q155 PolarHBondContact O-NE2 2.9Å
156	T	92.6	Very high	91.7	Very high	27 Å²	27	40.8 Å²	40.8	17%	0.166	21%	0.209	C	C	.	.			trans	-140.6	150.4	-179.6	70.5	0	0	0	0	112.2	E154 R159 A160	E154-T156 HydrophobicContact CG-CG2 4.05Å; E154-T156 PolarHBondContact O-N 2.7Å; E154-T156 VanDerWaalsContact O-N 3.1Å; T156-R159 PolarHBondContact O-N 2.86Å; T156-R159 WeakPolarHBondContact OG1-CB 3.35Å; T156-R159 VanDerWaalsContact OG1-CG 3.24Å; T156-R159 WeakPolarHBondContact OG1-CG 3.33Å; T156-R159 PolarHBondContact OG1-N 2.95Å; T156-A160 PolarHBondContact O-N 2.86Å
157	N	93.9	Very high	92.2	Very high	54 Å²	54	40.3 Å²	40.3	29%	0.289	21%	0.207	S	C	.	.	H	α-helix	trans	-58.3	-53.7	179.8	-145.7	58.6	0	0	0	112.2	G122 S123 C124 R159 A160 E161	G122-N157 PolarHBondContact O-ND2 2.95Å; G122-N157 PolarHBondContact O-OD1 2.69Å; S123-N157 WeakPolarHBondContact CA-OD1 3.1Å; C124-N157 HydrophobicContact CB-CB 4.03Å; C124-N157 PolarHBondContact N-OD1 2.98Å; N157-R159 PolarHBondContact O-N 2.87Å; N157-R159 VanDerWaalsContact O-N 3.16Å; N157-A160 CarbonylContact O-C 3.45Å; N157-A160 WeakPolarHBondContact O-CA 3.33Å; N157-A160 WeakPolarHBondContact O-CB 3.38Å; N157-A160 PolarHBondContact O-N 2.9Å; N157-E161 PolarHBondContact ND2-OE1 3.04Å; N157-E161 WeakPolarHBondContact O-CG 3.5Å; N157-E161 PolarHBondContact O-N 2.76Å
158	N	95.7	Very high	92.8	Very high	57 Å²	57	40 Å²	40	31%	0.305	21%	0.205	S	C	.	.	H	α-helix	trans	-59.7	-33.6	-176.3	-62.4	9	0	0	0	112.9	I162 F188 L215	N158-I162 WeakPolarHBondContact O-CB 3.42Å; N158-I162 WeakPolarHBondContact O-CD1 3.25Å; N158-I162 VanDerWaalsContact O-CG1 3.24Å; N158-I162 WeakPolarHBondContact O-CG1 3.15Å; N158-I162 PolarHBondContact O-N 2.82Å; N158-I162 VanDerWaalsContact O-N 3.13Å; N158-F188 HydrophobicContact CB-CD1 3.94Å; N158-F188 HydrophobicContact CB-CE1 3.95Å; N158-L215 HydrophobicContact CB-CD1 3.58Å
159	R	96.4	Very high	93.5	Very high	46 Å²	46	39.3 Å²	39.3	17%	0.174	20%	0.201	C	C	.	.	H	α-helix	trans	-69.5	-39.8	174.3	-73.7	-174.7	73.7	-120	-2.9	111.3	L151 E152 E154 T156 N157 I162 E163 L215 P218	L151-R159 HydrophobicContact CD1-CB 4.27Å; L151-R159 HydrophobicContact CD2-CB 3.48Å; L151-R159 VanDerWaalsContact CD2-CB 3.48Å; L151-R159 HydrophobicContact CG-CB 4.48Å; E152-R159 PolarHBondContact O-NH1 2.91Å; E152-R159 PolarHBondContact O-NH2 2.85Å; E154-R159 VanDerWaalsContact C-NH1 3.31Å; E154-R159 PolarHBondContact O-NH1 2.85Å; T156-R159 PolarHBondContact O-N 2.86Å; T156-R159 WeakPolarHBondContact OG1-CB 3.35Å; T156-R159 VanDerWaalsContact OG1-CG 3.24Å; T156-R159 WeakPolarHBondContact OG1-CG 3.33Å; T156-R159 PolarHBondContact OG1-N 2.95Å; N157-R159 PolarHBondContact O-N 2.87Å; N157-R159 VanDerWaalsContact O-N 3.16Å; R159-I162 PolarHBondContact O-N 2.87Å; R159-E163 WeakPolarHBondContact O-CB 3.43Å; R159-E163 PolarHBondContact O-N 2.69Å; R159-L215 HydrophobicContact CG-CD2 3.4Å; R159-L215 VanDerWaalsContact CG-CD2 3.4Å; R159-P218 HydrophobicContact CG-CG 3.97Å
160	A	96.2	Very high	94.1	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-65.6	-44	176.5	0	0	0	0	0	112	A133 G134 Y135 L151 T156 N157 I162 E163 A164	A133-A160 HydrophobicContact CB-CB 4.25Å; G134-A160 WeakPolarHBondContact O-CB 3.33Å; Y135-A160 VanDerWaalsContact CB-O 3.25Å; Y135-A160 WeakPolarHBondContact CB-O 3.49Å; L151-A160 HydrophobicContact CB-CB 4.47Å; L151-A160 HydrophobicContact CD2-CB 4.25Å; T156-A160 PolarHBondContact O-N 2.86Å; N157-A160 CarbonylContact O-C 3.45Å; N157-A160 WeakPolarHBondContact O-CA 3.33Å; N157-A160 WeakPolarHBondContact O-CB 3.38Å; N157-A160 PolarHBondContact O-N 2.9Å; A160-I162 VanDerWaalsContact C-N 3.33Å; A160-I162 PolarHBondContact O-N 3.23Å; A160-E163 PolarHBondContact O-N 2.89Å; A160-E163 VanDerWaalsContact O-N 3.14Å; A160-A164 PolarHBondContact O-N 2.99Å
161	E	98	Very high	94.6	Very high	16 Å²	16	36.1 Å²	36.1	8%	0.075	19%	0.189	C	C	.	.	H	α-helix	trans	-59.5	-43.1	175.3	-65.9	167.2	175.5	0	0	111.5	N157 A164 V165 S186 T189	N157-E161 PolarHBondContact ND2-OE1 3.04Å; N157-E161 WeakPolarHBondContact O-CG 3.5Å; N157-E161 PolarHBondContact O-N 2.76Å; E161-A164 PolarHBondContact O-N 2.85Å; E161-V165 PolarHBondContact O-N 2.88Å; E161-S186 WeakPolarHBondContact OE2-CB 3.37Å; E161-S186 PolarHBondContact OE2-OG 2.76Å; E161-T189 WeakPolarHBondContact CB-OG1 3.36Å
162	I	98	Very high	94.8	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-64.1	-42.6	174.7	-72.2	167.6	0	0	0	111.1	N158 R159 A160 V165 I166 F188 T189 P218 V219 L222	N158-I162 WeakPolarHBondContact O-CB 3.42Å; N158-I162 WeakPolarHBondContact O-CD1 3.25Å; N158-I162 VanDerWaalsContact O-CG1 3.24Å; N158-I162 WeakPolarHBondContact O-CG1 3.15Å; N158-I162 PolarHBondContact O-N 2.82Å; N158-I162 VanDerWaalsContact O-N 3.13Å; R159-I162 PolarHBondContact O-N 2.87Å; A160-I162 VanDerWaalsContact C-N 3.33Å; A160-I162 PolarHBondContact O-N 3.23Å; I162-V165 PolarHBondContact O-N 3.45Å; I162-I166 HydrophobicContact CG2-CD1 3.7Å; I162-I166 HydrophobicContact CG2-CG1 4.36Å; I162-I166 WeakPolarHBondContact O-CG1 3.47Å; I162-I166 PolarHBondContact O-N 3.23Å; I162-F188 HydrophobicContact CD1-CE1 4.17Å; I162-T189 HydrophobicContact CG1-CG2 3.99Å; I162-P218 HydrophobicContact CD1-CB 4.07Å; I162-P218 HydrophobicContact CG2-CB 3.99Å; I162-V219 HydrophobicContact CD1-CG2 3.64Å; I162-L222 HydrophobicContact CG2-CB 4.08Å; I162-L222 HydrophobicContact CG2-CD2 4.27Å
163	E	98	Very high	95.3	Very high	25 Å²	25	32.8 Å²	32.8	12%	0.117	17%	0.173	C	C	.	.	H	α-helix	trans	-65.5	-39	-179.7	-164	62	-140.1	0	0	112	Y135 L151 R159 A160 V165 I166 C167 R221	Y135-E163 HydrophobicContact CD1-CB 4.12Å; Y135-E163 HydrophobicContact CD1-CG 3.84Å; Y135-E163 HydrophobicContact CD2-CG 4.42Å; Y135-E163 HydrophobicContact CE1-CB 4.46Å; Y135-E163 HydrophobicContact CE1-CG 3.68Å; Y135-E163 HydrophobicContact CE2-CG 4.24Å; Y135-E163 HydrophobicContact CG-CB 4.18Å; Y135-E163 HydrophobicContact CG-CG 4.2Å; L151-E163 HydrophobicContact CD1-CB 3.85Å; L151-E163 HydrophobicContact CD1-CG 4.13Å; R159-E163 WeakPolarHBondContact O-CB 3.43Å; R159-E163 PolarHBondContact O-N 2.69Å; A160-E163 PolarHBondContact O-N 2.89Å; A160-E163 VanDerWaalsContact O-N 3.14Å; E163-V165 VanDerWaalsContact C-N 3.32Å; E163-V165 PolarHBondContact O-N 3.44Å; E163-I166 PolarHBondContact O-N 2.63Å; E163-C167 WeakPolarHBondContact O-CB 3.27Å; E163-C167 PolarHBondContact O-N 3.36Å; E163-R221 IonicContact OE1-CZ 3.95Å; E163-R221 IonicContact OE1-NH1 2.92Å; E163-R221 PolarHBondContact OE1-NH1 2.94Å; E163-R221 IonicContact OE1-NH2 3.88Å; E163-R221 PolarHBondContact OE1-NH2 3.29Å; E163-R221 IonicContact OE2-CZ 2.61Å; E163-R221 IonicContact OE2-NH1 3.98Å; E163-R221 PolarHBondContact OE2-NH1 3.21Å; E163-R221 IonicContact OE2-NH2 3.1Å
164	A	98.1	Very high	95.3	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-54.6	-49.1	174.1	0	0	0	0	0	111.4	T120 D121 Y135 V137 A160 E161 C167 A168	T120-A164 HydrophobicContact CG2-CB 4.39Å; D121-A164 WeakPolarHBondContact O-CB 3.36Å; Y135-A164 HydrophobicContact CD2-CB 4.32Å; V137-A164 WeakPolarHBondContact CG2-O 3.42Å; A160-A164 PolarHBondContact O-N 2.99Å; E161-A164 PolarHBondContact O-N 2.85Å; A164-C167 PolarHBondContact O-N 3.14Å; A164-A168 WeakPolarHBondContact O-CB 3.28Å; A164-A168 PolarHBondContact O-N 2.99Å
165	V	98.5	Very high	95.3	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-64.2	-45.2	177.8	169.4	0	0	0	0	111.4	T120 E161 I162 E163 C167 A168 I169 I182 T189 L222 W235	T120-V165 HydrophobicContact CG2-CG2 4.47Å; E161-V165 PolarHBondContact O-N 2.88Å; I162-V165 PolarHBondContact O-N 3.45Å; E163-V165 VanDerWaalsContact C-N 3.32Å; E163-V165 PolarHBondContact O-N 3.44Å; V165-C167 VanDerWaalsContact C-N 3.29Å; V165-C167 PolarHBondContact O-N 2.8Å; V165-A168 PolarHBondContact O-N 3.16Å; V165-I169 HydrophobicContact CG1-CD1 3.72Å; V165-I169 HydrophobicContact CG1-CG1 4.42Å; V165-I169 VanDerWaalsContact O-CG1 3.29Å; V165-I169 WeakPolarHBondContact O-CG1 3.36Å; V165-I169 PolarHBondContact O-N 3.32Å; V165-I182 HydrophobicContact CG1-CD1 3.96Å; V165-I182 HydrophobicContact CG2-CG2 4.14Å; V165-T189 HydrophobicContact CB-CG2 4.18Å; V165-T189 HydrophobicContact CG2-CG2 3.66Å; V165-L222 HydrophobicContact CB-CD1 4.31Å; V165-L222 HydrophobicContact CG1-CD1 3.47Å; V165-L222 VanDerWaalsContact CG1-CD1 3.47Å; V165-W235 HydrophobicContact CB-CH2 4.44Å; V165-W235 HydrophobicContact CG1-CH2 3.55Å; V165-W235 HydrophobicContact CG1-CZ2 4.28Å; V165-W235 HydrophobicContact CG1-CZ3 4.35Å; V165-W235 HydrophobicContact CG2-CH2 4.04Å; V165-W235 HydrophobicContact CG2-CZ3 4.06Å
166	I	98.3	Very high	95.4	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-58.3	-45.5	177.3	-72.9	167.4	0	0	0	110.4	I162 E163 I169 K170 R221 L222 V225	I162-I166 HydrophobicContact CG2-CD1 3.7Å; I162-I166 HydrophobicContact CG2-CG1 4.36Å; I162-I166 WeakPolarHBondContact O-CG1 3.47Å; I162-I166 PolarHBondContact O-N 3.23Å; E163-I166 PolarHBondContact O-N 2.63Å; I166-I169 PolarHBondContact O-N 2.79Å; I166-K170 HydrophobicContact CG2-CD 4.02Å; I166-K170 WeakPolarHBondContact O-CB 3.29Å; I166-K170 WeakPolarHBondContact O-CG 3.37Å; I166-K170 PolarHBondContact O-N 3.02Å; I166-R221 HydrophobicContact CD1-CB 4.26Å; I166-R221 HydrophobicContact CD1-CG 3.98Å; I166-L222 HydrophobicContact CD1-CB 4.11Å; I166-L222 HydrophobicContact CG1-CB 4.05Å; I166-L222 HydrophobicContact CG1-CD1 3.87Å; I166-V225 HydrophobicContact CG2-CG1 4.48Å; I166-V225 HydrophobicContact CG2-CG2 4.12Å
167	C	97	Very high	95.5	Very high	18 Å²	18	33 Å²	33	12%	0.122	19%	0.185	C	C	.	.	H	α-helix	trans	-61.1	-48.8	178.6	-173.7	0	0	0	0	111	Y135 V137 E163 A164 V165 I169 K170 Q171	Y135-C167 HydrophobicContact CD2-CB 4.47Å; Y135-C167 HydrophobicContact CE2-CB 3.77Å; V137-C167 HydrophobicContact CG2-CB 4.06Å; E163-C167 WeakPolarHBondContact O-CB 3.27Å; E163-C167 PolarHBondContact O-N 3.36Å; A164-C167 PolarHBondContact O-N 3.14Å; V165-C167 VanDerWaalsContact C-N 3.29Å; V165-C167 PolarHBondContact O-N 2.8Å; C167-I169 PolarHBondContact O-N 2.81Å; C167-K170 PolarHBondContact O-N 2.95Å; C167-Q171 VanDerWaalsContact O-CG 3.32Å; C167-Q171 WeakPolarHBondContact O-CG 3.28Å; C167-Q171 PolarHBondContact O-N 2.92Å
168	A	98.1	Very high	95.5	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-58.1	-43.9	177.5	0	0	0	0	0	112.9	V118 T120 V137 W139 A164 V165 Q171 A172	V118-A168 HydrophobicContact CG1-CB 4.08Å; V118-A168 HydrophobicContact CG2-CB 3.99Å; T120-A168 HydrophobicContact CG2-CB 3.77Å; V137-A168 HydrophobicContact CG1-CB 3.83Å; V137-A168 HydrophobicContact CG2-CB 4.42Å; W139-A168 HydrophobicContact CZ2-CB 4.41Å; A164-A168 WeakPolarHBondContact O-CB 3.28Å; A164-A168 PolarHBondContact O-N 2.99Å; V165-A168 PolarHBondContact O-N 3.16Å; A168-Q171 PolarHBondContact O-N 3.4Å; A168-A172 WeakPolarHBondContact O-CB 3.21Å; A168-A172 PolarHBondContact O-N 2.97Å
169	I	98.3	Very high	95.6	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-66.4	-41.7	178.6	-64.6	165.1	0	0	0	111	V165 I166 C167 A172 H173 L180 I182 L222 V225 I226 I231 I233	V165-I169 HydrophobicContact CG1-CD1 3.72Å; V165-I169 HydrophobicContact CG1-CG1 4.42Å; V165-I169 VanDerWaalsContact O-CG1 3.29Å; V165-I169 WeakPolarHBondContact O-CG1 3.36Å; V165-I169 PolarHBondContact O-N 3.32Å; I166-I169 PolarHBondContact O-N 2.79Å; C167-I169 PolarHBondContact O-N 2.81Å; I169-A172 PolarHBondContact O-N 2.95Å; I169-H173 WeakPolarHBondContact O-CB 3.08Å; I169-H173 PolarHBondContact O-N 3.44Å; I169-L180 HydrophobicContact CG1-CD2 4.24Å; I169-I182 HydrophobicContact CD1-CD1 4.11Å; I169-I182 HydrophobicContact CG1-CD1 3.86Å; I169-L222 HydrophobicContact CD1-CD1 4.14Å; I169-V225 HydrophobicContact CB-CG1 3.9Å; I169-V225 HydrophobicContact CG2-CG1 3.6Å; I169-I226 HydrophobicContact CD1-CD1 4.42Å; I169-I226 HydrophobicContact CD1-CG1 3.63Å; I169-I231 HydrophobicContact CG2-CD1 4.47Å; I169-I233 HydrophobicContact CD1-CD1 3.74Å; I169-I233 HydrophobicContact CG1-CD1 3.91Å; I169-I233 HydrophobicContact CG2-CD1 4.45Å
170	K	96.4	Very high	95.7	Very high	86 Å²	86	31.2 Å²	31.2	37%	0.374	18%	0.181	S	C	.	.	H	α-helix	trans	-62.3	-44.8	176.5	-76.4	176.6	172.9	-178.6	0	111.5	I166 C167 H173 I174 R221 V225	I166-K170 HydrophobicContact CG2-CD 4.02Å; I166-K170 WeakPolarHBondContact O-CB 3.29Å; I166-K170 WeakPolarHBondContact O-CG 3.37Å; I166-K170 PolarHBondContact O-N 3.02Å; C167-K170 PolarHBondContact O-N 2.95Å; K170-H173 PolarHBondContact O-N 2.89Å; K170-I174 WeakPolarHBondContact O-CB 3.44Å; K170-I174 WeakPolarHBondContact O-CD1 3.41Å; K170-I174 VanDerWaalsContact O-CG1 3.26Å; K170-I174 WeakPolarHBondContact O-CG1 3.34Å; K170-I174 PolarHBondContact O-N 3.48Å; K170-R221 VanDerWaalsContact NZ-NH2 3.17Å; K170-V225 HydrophobicContact CG-CG1 4.03Å
171	Q	95.1	Very high	95.8	Very high	32 Å²	32	31.2 Å²	31.2	15%	0.15	18%	0.181	C	C	.	.	H	α-helix	trans	-60	-46.6	174.9	-71.3	176.3	-33.3	0	0	111.3	W139 W145 C167 A168 H173 I174 G175	W139-Q171 HydrophobicContact CZ2-CB 4.05Å; W145-Q171 HydrophobicContact CE3-CB 4.3Å; W145-Q171 PolarHBondContact O-NE2 3.04Å; W145-Q171 PolarHBondContact O-OE1 3.25Å; C167-Q171 VanDerWaalsContact O-CG 3.32Å; C167-Q171 WeakPolarHBondContact O-CG 3.28Å; C167-Q171 PolarHBondContact O-N 2.92Å; A168-Q171 PolarHBondContact O-N 3.4Å; Q171-H173 VanDerWaalsContact C-N 3.35Å; Q171-H173 PolarHBondContact O-N 2.83Å; Q171-I174 PolarHBondContact O-N 3.12Å; Q171-G175 PolarHBondContact O-N 2.97Å
172	A	94.7	Very high	95.8	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-58.8	-45.3	177.6	0	0	0	0	0	112.1	W139 A168 I169 G175 G176 I177 L180 I231	W139-A172 HydrophobicContact CH2-CB 4.04Å; A168-A172 WeakPolarHBondContact O-CB 3.21Å; A168-A172 PolarHBondContact O-N 2.97Å; I169-A172 PolarHBondContact O-N 2.95Å; A172-G175 CarbonylContact O-C 3.58Å; A172-G175 WeakPolarHBondContact O-CA 3.3Å; A172-G175 PolarHBondContact O-N 3.37Å; A172-G176 PolarHBondContact O-N 2.81Å; A172-G176 VanDerWaalsContact O-N 3.09Å; A172-I177 HydrophobicContact CB-CB 4Å; A172-I177 HydrophobicContact CB-CD1 4.24Å; A172-I177 HydrophobicContact CB-CG2 4.34Å; A172-I177 WeakPolarHBondContact O-CB 3.36Å; A172-I177 PolarHBondContact O-N 2.82Å; A172-L180 HydrophobicContact CB-CD1 4.16Å; A172-L180 HydrophobicContact CB-CD2 3.87Å; A172-I231 HydrophobicContact CB-CD1 3.64Å
173	H	93.9	Very high	95.8	Very high	102 Å²	102	30.8 Å²	30.8	47%	0.472	18%	0.179	S	C	.	.	H	α-helix	trans	-64.4	-49.3	179.6	178.6	71.8	0	0	0	111.8	I169 K170 Q171 G175 G176 S229 I231	I169-H173 WeakPolarHBondContact O-CB 3.08Å; I169-H173 PolarHBondContact O-N 3.44Å; K170-H173 PolarHBondContact O-N 2.89Å; Q171-H173 VanDerWaalsContact C-N 3.35Å; Q171-H173 PolarHBondContact O-N 2.83Å; H173-G175 PolarHBondContact O-N 2.93Å; H173-G176 PolarHBondContact O-N 3.27Å; H173-G176 VanDerWaalsContact O-N 3.09Å; H173-S229 PolarHBondContact ND1-O 2.78Å; H173-I231 HydrophobicContact CB-CD1 4.12Å
174	I	87.8	Confident	95.7	Very high	149 Å²	149	29.6 Å²	29.6	76%	0.764	17%	0.173	S	C	*	.	H	α-helix	trans	-60.6	-34.5	175.4	-67.6	166.7	0	0	0	110.6	K170 Q171 G176	K170-I174 WeakPolarHBondContact O-CB 3.44Å; K170-I174 WeakPolarHBondContact O-CD1 3.41Å; K170-I174 VanDerWaalsContact O-CG1 3.26Å; K170-I174 WeakPolarHBondContact O-CG1 3.34Å; K170-I174 PolarHBondContact O-N 3.48Å; Q171-I174 PolarHBondContact O-N 3.12Å; I174-G176 VanDerWaalsContact C-N 3.3Å; I174-G176 PolarHBondContact O-N 2.88Å
175	G	88.3	Confident	95.5	Very high	35 Å²	35	30.9 Å²	30.9	36%	0.361	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-7.7	177	0	0	0	0	0	116	W145 Q171 A172 H173 I177	W145-G175 VanDerWaalsContact CH2-CA 3.41Å; Q171-G175 PolarHBondContact O-N 2.97Å; A172-G175 CarbonylContact O-C 3.58Å; A172-G175 WeakPolarHBondContact O-CA 3.3Å; A172-G175 PolarHBondContact O-N 3.37Å; H173-G175 PolarHBondContact O-N 2.93Å; G175-I177 VanDerWaalsContact C-N 3.3Å; G175-I177 PolarHBondContact O-N 3Å
176	G	90.8	Very high	95.4	Very high	58 Å²	58	31.1 Å²	31.1	60%	0.598	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.9	17.1	-176.1	0	0	0	0	0	114.8	A172 H173 I174 T178	A172-G176 PolarHBondContact O-N 2.81Å; A172-G176 VanDerWaalsContact O-N 3.09Å; H173-G176 PolarHBondContact O-N 3.27Å; H173-G176 VanDerWaalsContact O-N 3.09Å; I174-G176 VanDerWaalsContact C-N 3.3Å; I174-G176 PolarHBondContact O-N 2.88Å; G176-T178 PolarHBondContact O-N 3.39Å
177	I	93.6	Very high	95.1	Very high	16 Å²	16	36.8 Å²	36.8	8%	0.082	21%	0.207	C	C	.	.			trans	-72	126.5	174.1	-65.7	174.6	0	0	0	108.7	F106 V116 W139 W145 A172 G175 H179 L180 I231	F106-I177 HydrophobicContact CE1-CD1 4.08Å; F106-I177 HydrophobicContact CZ-CD1 4.19Å; V116-I177 HydrophobicContact CB-CD1 3.99Å; V116-I177 HydrophobicContact CB-CG2 4.01Å; V116-I177 HydrophobicContact CG1-CD1 3.83Å; V116-I177 HydrophobicContact CG2-CD1 3.99Å; V116-I177 HydrophobicContact CG2-CG1 4.1Å; V116-I177 HydrophobicContact CG2-CG2 3.94Å; W139-I177 HydrophobicContact CH2-CD1 4.04Å; W139-I177 HydrophobicContact CZ3-CD1 3.84Å; W145-I177 HydrophobicContact CZ3-CD1 3.93Å; A172-I177 HydrophobicContact CB-CB 4Å; A172-I177 HydrophobicContact CB-CD1 4.24Å; A172-I177 HydrophobicContact CB-CG2 4.34Å; A172-I177 WeakPolarHBondContact O-CB 3.36Å; A172-I177 PolarHBondContact O-N 2.82Å; G175-I177 VanDerWaalsContact C-N 3.3Å; G175-I177 PolarHBondContact O-N 3Å; I177-H179 WeakPolarHBondContact CG2-O 3.37Å; I177-L180 HydrophobicContact CG2-CB 4.35Å; I177-L180 HydrophobicContact CG2-CD1 4.34Å; I177-I231 WeakPolarHBondContact O-CD1 3.32Å; I177-I231 WeakPolarHBondContact O-CG1 3.41Å
178	T	95.4	Very high	95	Very high	89 Å²	89	38.3 Å²	38.3	55%	0.546	21%	0.211	S	C	.	.			trans	-103.1	-20.2	-179.4	52.9	0	0	0	0	113.9	G176 E232	G176-T178 PolarHBondContact O-N 3.39Å; T178-E232 PolarHBondContact O-N 3.2Å
179	H	97.7	Very high	94.9	Very high	30 Å²	30	38.3 Å²	38.3	14%	0.139	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	114.2	179.5	-58.2	71.2	0	0	0	108.7	R114 R115 V116 I177 E232	R114-H179 PolarHBondContact NH1-NE2 3.17Å; R115-H179 WeakPolarHBondContact CA-O 3.23Å; R115-H179 HydrophobicContact CB-CB 4.26Å; V116-H179 PolarHBondContact N-O 2.91Å; I177-H179 WeakPolarHBondContact CG2-O 3.37Å; H179-E232 WeakPolarHBondContact CA-O 3.48Å; H179-E232 IonicContact CD2-OE1 3.3Å; H179-E232 IonicContact CD2-OE2 3.17Å; H179-E232 PolarHBondContact CD2-OE2 3.1Å; H179-E232 IonicContact NE2-OE2 3.39Å; H179-E232 PolarHBondContact NE2-OE2 2.74Å
180	L	98.2	Very high	94.8	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	130.3	-173.3	-173.8	69.2	0	0	0	110.7	V116 V118 W139 I169 A172 I177 I182 I231 E232 I233 I234	V116-L180 CarbonylContact O-C 3.58Å; V116-L180 WeakPolarHBondContact O-CA 3.09Å; V118-L180 HydrophobicContact CB-CD1 4.4Å; V118-L180 HydrophobicContact CG1-CD1 3.81Å; V118-L180 HydrophobicContact CG1-CD2 4.36Å; V118-L180 HydrophobicContact CG1-CG 4.19Å; W139-L180 HydrophobicContact CH2-CD1 3.68Å; W139-L180 HydrophobicContact CZ3-CD1 3.82Å; I169-L180 HydrophobicContact CG1-CD2 4.24Å; A172-L180 HydrophobicContact CB-CD1 4.16Å; A172-L180 HydrophobicContact CB-CD2 3.87Å; I177-L180 HydrophobicContact CG2-CB 4.35Å; I177-L180 HydrophobicContact CG2-CD1 4.34Å; L180-I182 HydrophobicContact CD2-CD1 4Å; L180-I182 HydrophobicContact CD2-CG1 3.83Å; L180-I182 HydrophobicContact CG-CG1 4Å; L180-I231 HydrophobicContact CB-CG2 3.57Å; L180-E232 PolarHBondContact N-O 2.83Å; L180-I233 HydrophobicContact CB-CG1 4.48Å; L180-I233 CarbonylContact O-C 3.54Å; L180-I233 WeakPolarHBondContact O-CA 3.34Å; L180-I234 PolarHBondContact O-N 3.44Å
181	G	97.7	Very high	94.7	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	110	169.3	0	0	0	0	0	109.8	V116 M117 V118 I234	V116-G181 PolarHBondContact O-N 3.07Å; M117-G181 WeakPolarHBondContact CA-O 3.41Å; V118-G181 PolarHBondContact N-O 2.81Å; G181-I234 CarbonylContact C-O 3.47Å; G181-I234 VanDerWaalsContact CA-O 3.32Å; G181-I234 WeakPolarHBondContact CA-O 3.46Å
182	I	98.3	Very high	94.7	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	117.4	178	-58.3	-177.8	0	0	0	108.5	V118 T120 V165 I169 L180 I233 I234 W235 Y236	V118-I182 HydrophobicContact CG1-CB 4.46Å; V118-I182 HydrophobicContact CG1-CG1 3.99Å; T120-I182 HydrophobicContact CG2-CG2 4.29Å; V165-I182 HydrophobicContact CG1-CD1 3.96Å; V165-I182 HydrophobicContact CG2-CG2 4.14Å; I169-I182 HydrophobicContact CD1-CD1 4.11Å; I169-I182 HydrophobicContact CG1-CD1 3.86Å; L180-I182 HydrophobicContact CD2-CD1 4Å; L180-I182 HydrophobicContact CD2-CG1 3.83Å; L180-I182 HydrophobicContact CG-CG1 4Å; I182-I233 HydrophobicContact CD1-CG2 3.77Å; I182-I233 HydrophobicContact CG1-CG2 4.04Å; I182-I234 PolarHBondContact N-O 3.45Å; I182-W235 HydrophobicContact CB-CE3 4.13Å; I182-W235 HydrophobicContact CB-CZ3 4.26Å; I182-W235 HydrophobicContact CD1-CH2 4.27Å; I182-W235 HydrophobicContact CD1-CZ2 4.32Å; I182-W235 HydrophobicContact CG2-CE3 4.05Å; I182-W235 HydrophobicContact CG2-CH2 4.43Å; I182-W235 HydrophobicContact CG2-CZ3 3.79Å; I182-Y236 PolarHBondContact O-N 2.88Å
183	V	97.3	Very high	94.7	Very high	6 Å²	6	37 Å²	37	4%	0.036	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	119.1	176.2	-166.9	0	0	0	0	108.8	M117 V118 Y119 T120 Y236 V238	M117-V183 HydrophobicContact CE-CG2 3.49Å; M117-V183 VanDerWaalsContact CE-CG2 3.49Å; V118-V183 PolarHBondContact O-N 2.74Å; Y119-V183 CarbonylContact C-O 3.49Å; Y119-V183 WeakPolarHBondContact CA-O 3.5Å; Y119-V183 HydrophobicContact CD1-CB 3.53Å; Y119-V183 HydrophobicContact CD1-CG1 3.58Å; Y119-V183 HydrophobicContact CD1-CG2 4.06Å; Y119-V183 HydrophobicContact CE1-CB 3.85Å; Y119-V183 HydrophobicContact CE1-CG1 3.67Å; Y119-V183 HydrophobicContact CE1-CG2 3.95Å; Y119-V183 HydrophobicContact CG-CB 4.1Å; T120-V183 PolarHBondContact N-O 2.81Å; V183-Y236 VanDerWaalsContact CA-O 3.29Å; V183-Y236 WeakPolarHBondContact CA-O 3.15Å; V183-V238 HydrophobicContact CG1-CB 4.23Å; V183-V238 HydrophobicContact CG1-CG1 3.41Å; V183-V238 VanDerWaalsContact CG1-CG1 3.41Å; V183-V238 HydrophobicContact CG1-CG2 3.77Å
184	T	96.8	Very high	94.7	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	149.3	-179.7	-175	0	0	0	0	111.2	T120 S186 W235 Y236 H237 V238	T120-T184 WeakPolarHBondContact O-CB 3.2Å; T120-T184 PolarHBondContact O-OG1 3.29Å; T120-T184 VanDerWaalsContact O-OG1 3.06Å; T184-S186 VanDerWaalsContact C-N 3.34Å; T184-S186 PolarHBondContact OG1-N 3.47Å; T184-S186 VanDerWaalsContact OG1-N 3.16Å; T184-W235 HydrophobicContact CG2-CE3 4.1Å; T184-W235 HydrophobicContact CG2-CZ3 4.03Å; T184-Y236 PolarHBondContact N-O 2.83Å; T184-Y236 VanDerWaalsContact N-O 3.08Å; T184-H237 WeakPolarHBondContact O-CA 3.24Å; T184-H237 PolarHBondContact O-ND1 3.02Å; T184-V238 PolarHBondContact O-N 3.39Å; T184-V238 VanDerWaalsContact O-N 3.09Å
185	D	93.6	Very high	94.9	Very high	27 Å²	27	32 Å²	32	14%	0.144	19%	0.187	C	C	.	.	S	Bend	trans	-85.5	-9.1	169.4	68.9	-2.7	0	0	0	113.4	K187 H237 V238 S240	D185-K187 PolarHBondContact O-N 3.38Å; D185-H237 PolarHBondContact O-CE1 3.03Å; D185-H237 PolarHBondContact O-ND1 3.31Å; D185-V238 WeakPolarHBondContact CA-O 3.19Å; D185-V238 HydrophobicContact CB-CG2 4.37Å; D185-V238 VanDerWaalsContact CB-O 3.24Å; D185-V238 WeakPolarHBondContact CB-O 3.46Å; D185-S240 WeakPolarHBondContact OD2-CA 3.32Å; D185-S240 WeakPolarHBondContact OD2-CB 3.35Å; D185-S240 PolarHBondContact OD2-OG 3.47Å
186	S	95.3	Very high	95.1	Very high	5 Å²	5	33.8 Å²	33.8	4%	0.035	18%	0.183	C	C	.	.			trans	-78.8	88	175.5	-176.7	0	0	0	0	112.5	E161 T184 F188 T189 Q190	E161-S186 WeakPolarHBondContact OE2-CB 3.37Å; E161-S186 PolarHBondContact OE2-OG 2.76Å; T184-S186 VanDerWaalsContact C-N 3.34Å; T184-S186 PolarHBondContact OG1-N 3.47Å; T184-S186 VanDerWaalsContact OG1-N 3.16Å; S186-F188 PolarHBondContact O-N 2.91Å; S186-T189 PolarHBondContact O-N 2.89Å; S186-T189 VanDerWaalsContact OG-CB 3.31Å; S186-T189 WeakPolarHBondContact OG-CB 3.49Å; S186-T189 PolarHBondContact OG-N 2.96Å; S186-T189 PolarHBondContact OG-OG1 2.88Å; S186-Q190 PolarHBondContact O-N 3.04Å; S186-Q190 VanDerWaalsContact O-N 3.09Å
187	K	93.5	Very high	95.1	Very high	120 Å²	120	31 Å²	31	52%	0.522	15%	0.154	S	C	.	.	H	α-helix	trans	-56	-31.2	164.6	-71.3	-168.8	-179.2	-178.9	0	111.9	D185 N191 H237	D185-K187 PolarHBondContact O-N 3.38Å; K187-N191 VanDerWaalsContact O-CB 3.31Å; K187-N191 WeakPolarHBondContact O-CB 3.45Å; K187-N191 PolarHBondContact O-N 2.97Å; K187-N191 PolarHBondContact O-ND2 3.32Å; K187-H237 WeakPolarHBondContact CE-CD2 3.37Å; K187-H237 WeakPolarHBondContact CE-NE2 3.42Å; K187-H237 VanDerWaalsContact CG-CE1 3.49Å; K187-H237 WeakPolarHBondContact CG-CE1 3.17Å
188	F	93.3	Very high	95	Very high	49 Å²	49	35.2 Å²	35.2	22%	0.215	17%	0.174	C	C	.	.	H	α-helix	trans	-60.3	-50.6	178.3	179.8	-88.3	0	0	0	110.9	N158 I162 S186 N191 C192 W196 W200 L215	N158-F188 HydrophobicContact CB-CD1 3.94Å; N158-F188 HydrophobicContact CB-CE1 3.95Å; I162-F188 HydrophobicContact CD1-CE1 4.17Å; S186-F188 PolarHBondContact O-N 2.91Å; F188-N191 PolarHBondContact O-N 2.93Å; F188-C192 WeakPolarHBondContact CE1-SG 3.35Å; F188-C192 VanDerWaalsContact CZ-SG 3.52Å; F188-C192 WeakPolarHBondContact O-CB 3.13Å; F188-C192 PolarHBondContact O-N 3.48Å; F188-C192 PolarHBondContact O-SG 2.82Å; F188-W196 HydrophobicContact CD2-CE3 4.44Å; F188-W196 AromaticContact CD2-CZ3 3.62Å; F188-W196 HydrophobicContact CD2-CZ3 3.62Å; F188-W196 HydrophobicContact CE2-CE3 4.32Å; F188-W196 AromaticContact CE2-CZ3 3.85Å; F188-W196 HydrophobicContact CE2-CZ3 3.85Å; F188-W196 HydrophobicContact CG-CZ3 4.39Å; F188-W200 HydrophobicContact CZ-CH2 4.43Å; F188-L215 HydrophobicContact CE1-CD1 3.42Å; F188-L215 VanDerWaalsContact CE1-CD1 3.42Å; F188-L215 HydrophobicContact CE2-CD1 4.44Å; F188-L215 HydrophobicContact CZ-CD1 3.37Å
189	T	96.2	Very high	94.9	Very high	0 Å²	0	36 Å²	36	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-66.3	-43.4	179.3	-62.6	0	0	0	0	111.4	E161 I162 V165 S186 N191 C192 A193 L222 W235	E161-T189 WeakPolarHBondContact CB-OG1 3.36Å; I162-T189 HydrophobicContact CG1-CG2 3.99Å; V165-T189 HydrophobicContact CB-CG2 4.18Å; V165-T189 HydrophobicContact CG2-CG2 3.66Å; S186-T189 PolarHBondContact O-N 2.89Å; S186-T189 VanDerWaalsContact OG-CB 3.31Å; S186-T189 WeakPolarHBondContact OG-CB 3.49Å; S186-T189 PolarHBondContact OG-N 2.96Å; S186-T189 PolarHBondContact OG-OG1 2.88Å; T189-N191 VanDerWaalsContact C-N 3.34Å; T189-N191 PolarHBondContact O-N 2.81Å; T189-C192 WeakPolarHBondContact O-CB 3.48Å; T189-C192 PolarHBondContact O-N 3.35Å; T189-A193 PolarHBondContact O-N 2.8Å; T189-L222 HydrophobicContact CG2-CD2 4.22Å; T189-W235 HydrophobicContact CG2-CH2 4.34Å; T189-W235 HydrophobicContact CG2-CZ3 4.48Å
190	Q	95.8	Very high	94.6	Very high	42 Å²	42	36 Å²	36	20%	0.196	17%	0.165	C	C	.	.	H	α-helix	trans	-56.1	-47.5	174.1	179.9	-179.9	6.4	0	0	111.9	S186 A193 T194 W235	S186-Q190 PolarHBondContact O-N 3.04Å; S186-Q190 VanDerWaalsContact O-N 3.09Å; Q190-A193 PolarHBondContact O-N 2.88Å; Q190-T194 WeakPolarHBondContact O-CB 3.48Å; Q190-T194 WeakPolarHBondContact O-CG2 3.48Å; Q190-T194 PolarHBondContact O-N 2.84Å; Q190-T194 PolarHBondContact O-OG1 2.94Å; Q190-W235 HydrophobicContact CB-CD2 4.33Å; Q190-W235 HydrophobicContact CB-CE3 3.92Å; Q190-W235 HydrophobicContact CB-CZ3 4.33Å; Q190-W235 HydrophobicContact CG-CB 3.86Å; Q190-W235 HydrophobicContact CG-CD2 3.97Å; Q190-W235 HydrophobicContact CG-CE3 4.02Å; Q190-W235 HydrophobicContact CG-CG 3.91Å
191	N	95.5	Very high	94.2	Very high	42 Å²	42	38.2 Å²	38.2	23%	0.225	18%	0.184	C	C	.	.	H	α-helix	trans	-68.3	-36.1	179.1	-70.1	-20.1	0	0	0	111.9	K187 F188 T189 A193 T194 E195 W196	K187-N191 VanDerWaalsContact O-CB 3.31Å; K187-N191 WeakPolarHBondContact O-CB 3.45Å; K187-N191 PolarHBondContact O-N 2.97Å; K187-N191 PolarHBondContact O-ND2 3.32Å; F188-N191 PolarHBondContact O-N 2.93Å; T189-N191 VanDerWaalsContact C-N 3.34Å; T189-N191 PolarHBondContact O-N 2.81Å; N191-A193 VanDerWaalsContact C-N 3.32Å; N191-A193 PolarHBondContact O-N 3.31Å; N191-T194 PolarHBondContact O-N 2.72Å; N191-E195 CarbonylContact O-C 3.5Å; N191-E195 PolarHBondContact O-N 3.13Å; N191-W196 HydrophobicContact CB-CD2 3.52Å; N191-W196 HydrophobicContact CB-CE3 3.62Å; N191-W196 HydrophobicContact CB-CG 4.1Å; N191-W196 HydrophobicContact CB-CH2 3.88Å; N191-W196 HydrophobicContact CB-CZ2 3.76Å; N191-W196 HydrophobicContact CB-CZ3 3.79Å; N191-W196 VanDerWaalsContact ND2-CH2 3.33Å; N191-W196 WeakPolarHBondContact ND2-CH2 3.35Å; N191-W196 WeakPolarHBondContact ND2-CZ2 3.5Å; N191-W196 PolarHBondContact O-N 3.02Å
192	C	94.8	Very high	93.9	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	22%	0.218	C	C	.	.	I	π-helix	trans	-59.7	-43.5	173.2	-73.5	0	0	0	0	111.6	F188 T189 G197 V219	F188-C192 WeakPolarHBondContact CE1-SG 3.35Å; F188-C192 VanDerWaalsContact CZ-SG 3.52Å; F188-C192 WeakPolarHBondContact O-CB 3.13Å; F188-C192 PolarHBondContact O-N 3.48Å; F188-C192 PolarHBondContact O-SG 2.82Å; T189-C192 WeakPolarHBondContact O-CB 3.48Å; T189-C192 PolarHBondContact O-N 3.35Å; C192-G197 VanDerWaalsContact O-CA 3.24Å; C192-G197 WeakPolarHBondContact O-CA 3.46Å; C192-G197 PolarHBondContact O-N 3.38Å; C192-V219 HydrophobicContact CB-CG1 3.97Å; C192-V219 HydrophobicContact CB-CG2 3.94Å
193	A	94.6	Very high	93.6	Very high	7 Å²	7	51.7 Å²	51.7	6%	0.058	24%	0.241	C	C	.	.	I	π-helix	trans	-69.4	-35.6	178.4	0	0	0	0	0	113.8	T189 Q190 N191 L222 I226 W235	T189-A193 PolarHBondContact O-N 2.8Å; Q190-A193 PolarHBondContact O-N 2.88Å; N191-A193 VanDerWaalsContact C-N 3.32Å; N191-A193 PolarHBondContact O-N 3.31Å; A193-L222 HydrophobicContact CB-CD2 4.01Å; A193-I226 HydrophobicContact CB-CD1 3.78Å; A193-W235 HydrophobicContact CB-CH2 3.83Å; A193-W235 HydrophobicContact CB-CZ2 3.24Å
194	T	94.4	Very high	93.2	Very high	57 Å²	57	54.6 Å²	54.6	35%	0.35	27%	0.266	S	S	.	.	I	π-helix	trans	-104.4	-32.2	-166.8	56.5	0	0	0	0	114.6	Q190 N191 W235	Q190-T194 WeakPolarHBondContact O-CB 3.48Å; Q190-T194 WeakPolarHBondContact O-CG2 3.48Å; Q190-T194 PolarHBondContact O-N 2.84Å; Q190-T194 PolarHBondContact O-OG1 2.94Å; N191-T194 PolarHBondContact O-N 2.72Å; T194-W235 HydrophobicContact CG2-CG 4.42Å
195	E	92.9	Very high	93	Very high	89 Å²	89	56.1 Å²	56.1	42%	0.416	27%	0.272	S	S	.	.	I	π-helix	trans	-133.9	-58.5	-170.2	-171.6	-170.1	-171.8	0	0	112.7	N191 R199	N191-E195 CarbonylContact O-C 3.5Å; N191-E195 PolarHBondContact O-N 3.13Å; E195-R199 VanDerWaalsContact CD-NH2 3.3Å; E195-R199 PolarHBondContact O-N 3.48Å; E195-R199 VanDerWaalsContact O-N 3.09Å; E195-R199 IonicContact OE1-CZ 2.86Å; E195-R199 IonicContact OE1-NH2 3.82Å; E195-R199 PolarHBondContact OE1-NH2 3.23Å
196	W	92	Very high	92.7	Very high	73 Å²	73	59.8 Å²	59.8	28%	0.277	29%	0.287	S	S	.	.	I	π-helix	trans	-70.6	-42.6	-170.1	-60.6	-9.4	0	0	0	112	F188 N191 Q198 R199 W200	F188-W196 HydrophobicContact CD2-CE3 4.44Å; F188-W196 AromaticContact CD2-CZ3 3.62Å; F188-W196 HydrophobicContact CD2-CZ3 3.62Å; F188-W196 HydrophobicContact CE2-CE3 4.32Å; F188-W196 AromaticContact CE2-CZ3 3.85Å; F188-W196 HydrophobicContact CE2-CZ3 3.85Å; F188-W196 HydrophobicContact CG-CZ3 4.39Å; N191-W196 HydrophobicContact CB-CD2 3.52Å; N191-W196 HydrophobicContact CB-CE3 3.62Å; N191-W196 HydrophobicContact CB-CG 4.1Å; N191-W196 HydrophobicContact CB-CH2 3.88Å; N191-W196 HydrophobicContact CB-CZ2 3.76Å; N191-W196 HydrophobicContact CB-CZ3 3.79Å; N191-W196 VanDerWaalsContact ND2-CH2 3.33Å; N191-W196 WeakPolarHBondContact ND2-CH2 3.35Å; N191-W196 WeakPolarHBondContact ND2-CZ2 3.5Å; N191-W196 PolarHBondContact O-N 3.02Å; W196-Q198 VanDerWaalsContact C-N 3.32Å; W196-Q198 PolarHBondContact O-N 3.45Å; W196-R199 WeakPolarHBondContact O-CB 3.39Å; W196-R199 PolarHBondContact O-N 3.49Å; W196-R199 VanDerWaalsContact O-N 3.14Å; W196-W200 HydrophobicContact CB-CD2 4.41Å; W196-W200 HydrophobicContact CB-CH2 4.21Å; W196-W200 HydrophobicContact CB-CZ2 4.02Å; W196-W200 HydrophobicContact CB-CZ3 4.48Å; W196-W200 HydrophobicContact CE3-CH2 4.37Å; W196-W200 WeakPolarHBondContact O-CB 3.22Å; W196-W200 PolarHBondContact O-N 3.09Å
197	G	90.9	Very high	92.1	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-60.6	-42	178.3	0	0	0	0	0	112.1	C192 R199 W200 A201	C192-G197 VanDerWaalsContact O-CA 3.24Å; C192-G197 WeakPolarHBondContact O-CA 3.46Å; C192-G197 PolarHBondContact O-N 3.38Å; G197-R199 PolarHBondContact O-N 3.3Å; G197-W200 PolarHBondContact O-N 3.26Å; G197-A201 WeakPolarHBondContact O-CB 3.41Å; G197-A201 PolarHBondContact O-N 3.33Å
198	Q	91.4	Very high	91.6	Very high	104 Å²	104	62.4 Å²	62.4	49%	0.486	32%	0.323	S	S	.	.	H	α-helix	trans	-66.5	-37.1	175.9	-60.3	180	8.3	0	0	112.3	W196 R202	W196-Q198 VanDerWaalsContact C-N 3.32Å; W196-Q198 PolarHBondContact O-N 3.45Å; Q198-R202 WeakPolarHBondContact O-CG 3.44Å; Q198-R202 PolarHBondContact O-N 2.9Å; Q198-R202 VanDerWaalsContact O-N 3.16Å
199	R	92.1	Very high	91.3	Very high	104 Å²	104	64.9 Å²	64.9	39%	0.392	34%	0.338	S	S	.	.	H	α-helix	trans	-66.2	-45.3	174.2	-172.6	-177	-57.3	167.1	4.8	111.4	E195 W196 G197 R202 N203	E195-R199 VanDerWaalsContact CD-NH2 3.3Å; E195-R199 PolarHBondContact O-N 3.48Å; E195-R199 VanDerWaalsContact O-N 3.09Å; E195-R199 IonicContact OE1-CZ 2.86Å; E195-R199 IonicContact OE1-NH2 3.82Å; E195-R199 PolarHBondContact OE1-NH2 3.23Å; W196-R199 WeakPolarHBondContact O-CB 3.39Å; W196-R199 PolarHBondContact O-N 3.49Å; W196-R199 VanDerWaalsContact O-N 3.14Å; G197-R199 PolarHBondContact O-N 3.3Å; R199-R202 PolarHBondContact O-N 3.13Å; R199-N203 WeakPolarHBondContact O-CB 3.43Å; R199-N203 PolarHBondContact O-N 2.98Å
200	W	91.4	Very high	90.7	Very high	30 Å²	30	67 Å²	67	11%	0.114	36%	0.359	C	S	.	.	H	α-helix	trans	-62.9	-45.7	176.7	-64.4	-22.7	0	0	0	110.9	F188 W196 G197 R202 N203 A204 W205 L207 A213 V219	F188-W200 HydrophobicContact CZ-CH2 4.43Å; W196-W200 HydrophobicContact CB-CD2 4.41Å; W196-W200 HydrophobicContact CB-CH2 4.21Å; W196-W200 HydrophobicContact CB-CZ2 4.02Å; W196-W200 HydrophobicContact CB-CZ3 4.48Å; W196-W200 HydrophobicContact CE3-CH2 4.37Å; W196-W200 WeakPolarHBondContact O-CB 3.22Å; W196-W200 PolarHBondContact O-N 3.09Å; G197-W200 PolarHBondContact O-N 3.26Å; W200-R202 VanDerWaalsContact C-N 3.3Å; W200-R202 PolarHBondContact O-N 3.1Å; W200-N203 CarbonylContact O-C 3.56Å; W200-N203 PolarHBondContact O-N 2.9Å; W200-A204 PolarHBondContact O-N 2.77Å; W200-W205 HydrophobicContact CB-CD2 4.33Å; W200-W205 HydrophobicContact CB-CE3 3.67Å; W200-W205 HydrophobicContact CB-CZ3 4.04Å; W200-W205 HydrophobicContact CE3-CE3 4.48Å; W200-W205 HydrophobicContact CE3-CZ3 4.27Å; W200-W205 VanDerWaalsContact O-CA 3.29Å; W200-W205 WeakPolarHBondContact O-CA 3.43Å; W200-W205 PolarHBondContact O-N 3.35Å; W200-L207 HydrophobicContact CZ2-CD2 3.91Å; W200-A213 HydrophobicContact CD2-CB 4.02Å; W200-A213 HydrophobicContact CE3-CB 4.08Å; W200-A213 HydrophobicContact CG-CB 4.47Å; W200-A213 HydrophobicContact CZ3-CB 4.39Å; W200-V219 HydrophobicContact CE3-CG1 4.09Å; W200-V219 HydrophobicContact CZ3-CB 4.4Å; W200-V219 HydrophobicContact CZ3-CG1 4.13Å; W200-V219 HydrophobicContact CZ3-CG2 4.01Å
201	A	90	Very high	90.2	Very high	48 Å²	48	70.6 Å²	70.6	40%	0.397	38%	0.377	S	S	.	.	H	α-helix	trans	-56.6	-41.3	176	0	0	0	0	0	112.7	G197 N203 W205	G197-A201 WeakPolarHBondContact O-CB 3.41Å; G197-A201 PolarHBondContact O-N 3.33Å; A201-N203 VanDerWaalsContact C-N 3.34Å; A201-N203 PolarHBondContact O-N 3.26Å; A201-W205 HydrophobicContact CB-CZ2 4Å
202	R	92.2	Very high	89.7	Confident	192 Å²	192	73.4 Å²	73.4	73%	0.725	39%	0.391	S	S	*	.	H	α-helix	trans	-67	-32	174.2	-75.4	-173.4	-70.3	-179.5	-3.2	113.5	Q198 R199 W200	Q198-R202 WeakPolarHBondContact O-CG 3.44Å; Q198-R202 PolarHBondContact O-N 2.9Å; Q198-R202 VanDerWaalsContact O-N 3.16Å; R199-R202 PolarHBondContact O-N 3.13Å; W200-R202 VanDerWaalsContact C-N 3.3Å; W200-R202 PolarHBondContact O-N 3.1Å
203	N	91.5	Very high	89.3	Confident	90 Å²	90	73.7 Å²	73.7	48%	0.481	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98	28.8	-177.6	-66	-11.7	0	0	0	112.8	R199 W200 A201 W205 K206	R199-N203 WeakPolarHBondContact O-CB 3.43Å; R199-N203 PolarHBondContact O-N 2.98Å; W200-N203 CarbonylContact O-C 3.56Å; W200-N203 PolarHBondContact O-N 2.9Å; A201-N203 VanDerWaalsContact C-N 3.34Å; A201-N203 PolarHBondContact O-N 3.26Å; N203-W205 PolarHBondContact O-N 2.88Å; N203-W205 VanDerWaalsContact O-N 3.15Å; N203-K206 WeakPolarHBondContact O-CB 3.47Å; N203-K206 PolarHBondContact O-N 2.96Å; N203-K206 VanDerWaalsContact O-N 3.09Å
204	A	89.8	Confident	88.8	Confident	68 Å²	68	82.8 Å²	82.8	56%	0.562	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.6	33.6	-179.2	0	0	0	0	0	114.2	W200 K206	W200-A204 PolarHBondContact O-N 2.77Å; A204-K206 VanDerWaalsContact C-N 3.33Å
205	W	91.6	Very high	88.6	Confident	32 Å²	32	81.1 Å²	81.1	12%	0.121	42%	0.421	C	S	.	.	T	Hydrogen-bonded Turn	trans	66.5	25.3	-178.6	-60.5	91.8	0	0	0	115.9	W200 A201 N203 A213 K216 V219 K220 L223	W200-W205 HydrophobicContact CB-CD2 4.33Å; W200-W205 HydrophobicContact CB-CE3 3.67Å; W200-W205 HydrophobicContact CB-CZ3 4.04Å; W200-W205 HydrophobicContact CE3-CE3 4.48Å; W200-W205 HydrophobicContact CE3-CZ3 4.27Å; W200-W205 VanDerWaalsContact O-CA 3.29Å; W200-W205 WeakPolarHBondContact O-CA 3.43Å; W200-W205 PolarHBondContact O-N 3.35Å; A201-W205 HydrophobicContact CB-CZ2 4Å; N203-W205 PolarHBondContact O-N 2.88Å; N203-W205 VanDerWaalsContact O-N 3.15Å; W205-A213 PolarHBondContact O-N 3.12Å; W205-K216 HydrophobicContact CB-CB 4.49Å; W205-K216 HydrophobicContact CB-CD 3.57Å; W205-K216 HydrophobicContact CB-CG 3.8Å; W205-K216 HydrophobicContact CD2-CD 4.36Å; W205-K216 HydrophobicContact CD2-CG 3.71Å; W205-K216 HydrophobicContact CE3-CB 4.18Å; W205-K216 HydrophobicContact CE3-CG 3.78Å; W205-K216 HydrophobicContact CG-CD 3.83Å; W205-K216 HydrophobicContact CG-CG 3.72Å; W205-V219 HydrophobicContact CH2-CG1 4.27Å; W205-V219 HydrophobicContact CZ3-CB 4.15Å; W205-V219 HydrophobicContact CZ3-CG1 3.93Å; W205-K220 VanDerWaalsContact CH2-CA 3.48Å; W205-K220 HydrophobicContact CH2-CB 3.6Å; W205-K220 HydrophobicContact CH2-CG 4.26Å; W205-K220 HydrophobicContact CZ2-CB 3.6Å; W205-K220 HydrophobicContact CZ2-CD 4.25Å; W205-K220 HydrophobicContact CZ2-CG 3.78Å; W205-K220 HydrophobicContact CZ3-CB 4.36Å; W205-L223 HydrophobicContact CH2-CD1 4.06Å
206	K	87.2	Confident	88.5	Confident	103 Å²	103	79.9 Å²	79.9	45%	0.448	41%	0.414	S	S	.	.	B	Isolated β-bridge	trans	-96.9	142.9	176.3	-59.7	-169.3	173.6	-162.2	0	113	N203 A204 E211	N203-K206 WeakPolarHBondContact O-CB 3.47Å; N203-K206 PolarHBondContact O-N 2.96Å; N203-K206 VanDerWaalsContact O-N 3.09Å; A204-K206 VanDerWaalsContact C-N 3.33Å; K206-E211 CarbonylContact C-O 3.53Å; K206-E211 WeakPolarHBondContact CA-O 3.29Å
207	L	83.8	Confident	88.6	Confident	58 Å²	58	81.8 Å²	81.8	30%	0.304	43%	0.426	S	S	.	.			trans	-76.2	168.1	169	-62.2	179.1	0	0	0	110.7	W200 N209 G210 E211 A213	W200-L207 HydrophobicContact CZ2-CD2 3.91Å; L207-N209 WeakPolarHBondContact CB-OD1 3.44Å; L207-N209 PolarHBondContact O-N 3.41Å; L207-N209 VanDerWaalsContact O-N 3.17Å; L207-G210 PolarHBondContact O-N 3.14Å; L207-E211 WeakPolarHBondContact CB-O 3.49Å; L207-E211 PolarHBondContact N-O 3.39Å; L207-A213 HydrophobicContact CD2-CB 4.07Å; L207-A213 HydrophobicContact CG-CB 4.36Å
208	A	82.1	Confident	88.8	Confident	122 Å²	122	82.8 Å²	82.8	100%	1.008	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-24	179.3	0	0	0	0	0	113.6	G210	A208-G210 VanDerWaalsContact C-N 3.28Å
209	N	87.1	Confident	89	Confident	102 Å²	102	77.8 Å²	77.8	55%	0.545	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-0.7	174.9	68.6	-8.6	0	0	0	113.4	L207 E211	L207-N209 WeakPolarHBondContact CB-OD1 3.44Å; L207-N209 PolarHBondContact O-N 3.41Å; L207-N209 VanDerWaalsContact O-N 3.17Å; N209-E211 VanDerWaalsContact C-N 3.34Å; N209-E211 VanDerWaalsContact ND2-CD 3.32Å; N209-E211 PolarHBondContact ND2-OE2 2.97Å; N209-E211 WeakPolarHBondContact OD1-CB 3.45Å; N209-E211 PolarHBondContact OD1-N 3.44Å
210	G	83.1	Confident	89.2	Confident	43 Å²	43	76.4 Å²	76.4	44%	0.443	41%	0.406	S	S	.	.	S	Bend	trans	86.1	-5.7	-179.3	0	0	0	0	0	115.4	L207 A208	L207-G210 PolarHBondContact O-N 3.14Å; A208-G210 VanDerWaalsContact C-N 3.28Å
211	E	86.3	Confident	89.4	Confident	119 Å²	119	79.2 Å²	79.2	56%	0.556	42%	0.417	S	S	*	.	P	Polyproline II helix	trans	-77.6	155.9	175	-62.5	-179.4	156.1	0	0	111.4	K206 L207 N209	K206-E211 CarbonylContact C-O 3.53Å; K206-E211 WeakPolarHBondContact CA-O 3.29Å; L207-E211 WeakPolarHBondContact CB-O 3.49Å; L207-E211 PolarHBondContact N-O 3.39Å; N209-E211 VanDerWaalsContact C-N 3.34Å; N209-E211 VanDerWaalsContact ND2-CD 3.32Å; N209-E211 PolarHBondContact ND2-OE2 2.97Å; N209-E211 WeakPolarHBondContact OD1-CB 3.45Å; N209-E211 PolarHBondContact OD1-N 3.44Å
212	D	85.8	Confident	89.8	Confident	100 Å²	100	76.9 Å²	76.9	54%	0.535	40%	0.398	S	S	.	.	B	Isolated β-bridge	trans	-71.3	140.2	174.6	-69.7	-21.7	0	0	0	110.7	K214	D212-K214 PolarHBondContact O-N 2.84Å; D212-K214 VanDerWaalsContact O-N 3.14Å
213	A	84.6	Confident	90	Very high	6 Å²	6	69.4 Å²	69.4	5%	0.05	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-62.2	118	172.8	0	0	0	0	0	109.7	W200 W205 L207 L215 K216	W200-A213 HydrophobicContact CD2-CB 4.02Å; W200-A213 HydrophobicContact CE3-CB 4.08Å; W200-A213 HydrophobicContact CG-CB 4.47Å; W200-A213 HydrophobicContact CZ3-CB 4.39Å; W205-A213 PolarHBondContact O-N 3.12Å; L207-A213 HydrophobicContact CD2-CB 4.07Å; L207-A213 HydrophobicContact CG-CB 4.36Å; A213-L215 PolarHBondContact O-N 3.05Å; A213-K216 WeakPolarHBondContact O-CB 3.47Å; A213-K216 PolarHBondContact O-N 2.69Å
214	K	84.9	Confident	90.3	Very high	198 Å²	198	69.3 Å²	69.3	86%	0.861	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	-29.8	-178.9	-68.5	-176.3	178	-179.6	0	113.7	D212	D212-K214 PolarHBondContact O-N 2.84Å; D212-K214 VanDerWaalsContact O-N 3.14Å
215	L	89.7	Confident	90.7	Very high	22 Å²	22	66.7 Å²	66.7	12%	0.115	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.2	23.1	-179.6	-66.3	168.5	0	0	0	113.1	N158 R159 F188 A213 E217 P218 V219	N158-L215 HydrophobicContact CB-CD1 3.58Å; R159-L215 HydrophobicContact CG-CD2 3.4Å; R159-L215 VanDerWaalsContact CG-CD2 3.4Å; F188-L215 HydrophobicContact CE1-CD1 3.42Å; F188-L215 VanDerWaalsContact CE1-CD1 3.42Å; F188-L215 HydrophobicContact CE2-CD1 4.44Å; F188-L215 HydrophobicContact CZ-CD1 3.37Å; A213-L215 PolarHBondContact O-N 3.05Å; L215-E217 PolarHBondContact O-N 3.4Å; L215-P218 HydrophobicContact CD2-CG 4.29Å; L215-P218 WeakPolarHBondContact O-CD 3.47Å; L215-V219 HydrophobicContact CB-CG2 4.12Å; L215-V219 WeakPolarHBondContact O-CB 3.39Å; L215-V219 WeakPolarHBondContact O-CG2 3.48Å; L215-V219 PolarHBondContact O-N 3.49Å
216	K	91.8	Very high	90.9	Very high	63 Å²	63	67.2 Å²	67.2	27%	0.274	35%	0.35	S	S	.	.	H	α-helix	trans	-47.7	-55.9	179.4	170.9	-178.6	176.9	-175.5	0	112.8	W205 A213 V219 K220	W205-K216 HydrophobicContact CB-CB 4.49Å; W205-K216 HydrophobicContact CB-CD 3.57Å; W205-K216 HydrophobicContact CB-CG 3.8Å; W205-K216 HydrophobicContact CD2-CD 4.36Å; W205-K216 HydrophobicContact CD2-CG 3.71Å; W205-K216 HydrophobicContact CE3-CB 4.18Å; W205-K216 HydrophobicContact CE3-CG 3.78Å; W205-K216 HydrophobicContact CG-CD 3.83Å; W205-K216 HydrophobicContact CG-CG 3.72Å; A213-K216 WeakPolarHBondContact O-CB 3.47Å; A213-K216 PolarHBondContact O-N 2.69Å; K216-V219 PolarHBondContact O-N 3.21Å; K216-K220 WeakPolarHBondContact O-CB 3.03Å; K216-K220 PolarHBondContact O-N 3.37Å
217	E	93.8	Very high	91.3	Very high	113 Å²	113	66.1 Å²	66.1	53%	0.528	36%	0.361	S	S	.	.	H	α-helix	trans	-67.2	-46.9	-173.1	-58.8	-55.4	139.4	0	0	112.9	L215 V219 K220 R221	L215-E217 PolarHBondContact O-N 3.4Å; E217-V219 VanDerWaalsContact C-N 3.35Å; E217-V219 PolarHBondContact O-N 2.79Å; E217-K220 PolarHBondContact O-N 3.24Å; E217-R221 PolarHBondContact O-N 3.17Å
218	P	94.5	Very high	91.9	Very high	21 Å²	21	70.4 Å²	70.4	14%	0.136	38%	0.379	C	S	.	.	H	α-helix	trans	-56.6	-44.1	172.3	-26.4	33	0	0	0	113.8	R159 I162 L215 R221 L222	R159-P218 HydrophobicContact CG-CG 3.97Å; I162-P218 HydrophobicContact CD1-CB 4.07Å; I162-P218 HydrophobicContact CG2-CB 3.99Å; L215-P218 HydrophobicContact CD2-CG 4.29Å; L215-P218 WeakPolarHBondContact O-CD 3.47Å; P218-R221 PolarHBondContact O-N 3.2Å; P218-L222 PolarHBondContact O-N 2.84Å
219	V	96.1	Very high	92.6	Very high	0 Å²	0	65.2 Å²	65.2	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-72.4	-37.7	-176.3	174.8	0	0	0	0	111.1	I162 C192 W200 W205 L215 K216 E217 L222 L223	I162-V219 HydrophobicContact CD1-CG2 3.64Å; C192-V219 HydrophobicContact CB-CG1 3.97Å; C192-V219 HydrophobicContact CB-CG2 3.94Å; W200-V219 HydrophobicContact CE3-CG1 4.09Å; W200-V219 HydrophobicContact CZ3-CB 4.4Å; W200-V219 HydrophobicContact CZ3-CG1 4.13Å; W200-V219 HydrophobicContact CZ3-CG2 4.01Å; W205-V219 HydrophobicContact CH2-CG1 4.27Å; W205-V219 HydrophobicContact CZ3-CB 4.15Å; W205-V219 HydrophobicContact CZ3-CG1 3.93Å; L215-V219 HydrophobicContact CB-CG2 4.12Å; L215-V219 WeakPolarHBondContact O-CB 3.39Å; L215-V219 WeakPolarHBondContact O-CG2 3.48Å; L215-V219 PolarHBondContact O-N 3.49Å; K216-V219 PolarHBondContact O-N 3.21Å; E217-V219 VanDerWaalsContact C-N 3.35Å; E217-V219 PolarHBondContact O-N 2.79Å; V219-L222 WeakPolarHBondContact O-CB 3.37Å; V219-L222 PolarHBondContact O-N 3.32Å; V219-L223 WeakPolarHBondContact O-CG 3.42Å; V219-L223 PolarHBondContact O-N 3.31Å
220	K	95.9	Very high	92.9	Very high	75 Å²	75	63.7 Å²	63.7	33%	0.326	34%	0.344	S	S	.	.	H	α-helix	trans	-58.6	-49.5	172.2	-177.9	178.6	168.3	-165	0	110.9	W205 K216 E217 L222 L223 E224	W205-K220 VanDerWaalsContact CH2-CA 3.48Å; W205-K220 HydrophobicContact CH2-CB 3.6Å; W205-K220 HydrophobicContact CH2-CG 4.26Å; W205-K220 HydrophobicContact CZ2-CB 3.6Å; W205-K220 HydrophobicContact CZ2-CD 4.25Å; W205-K220 HydrophobicContact CZ2-CG 3.78Å; W205-K220 HydrophobicContact CZ3-CB 4.36Å; K216-K220 WeakPolarHBondContact O-CB 3.03Å; K216-K220 PolarHBondContact O-N 3.37Å; E217-K220 PolarHBondContact O-N 3.24Å; K220-L222 VanDerWaalsContact C-N 3.3Å; K220-L222 PolarHBondContact O-N 3.43Å; K220-L223 PolarHBondContact O-N 3.35Å; K220-E224 WeakPolarHBondContact CE-OE1 3.24Å; K220-E224 IonicContact NZ-OE1 3.97Å; K220-E224 WeakPolarHBondContact O-CG 3.25Å; K220-E224 PolarHBondContact O-N 3.19Å
221	R	96.6	Very high	93.6	Very high	88 Å²	88	62.5 Å²	62.5	33%	0.332	33%	0.327	S	S	.	.	H	α-helix	trans	-59.6	-39.9	176.4	-175.6	-176.8	160.2	-152	-6.4	112.1	E163 I166 K170 E217 P218 E224 V225	E163-R221 IonicContact OE1-CZ 3.95Å; E163-R221 IonicContact OE1-NH1 2.92Å; E163-R221 PolarHBondContact OE1-NH1 2.94Å; E163-R221 IonicContact OE1-NH2 3.88Å; E163-R221 PolarHBondContact OE1-NH2 3.29Å; E163-R221 IonicContact OE2-CZ 2.61Å; E163-R221 IonicContact OE2-NH1 3.98Å; E163-R221 PolarHBondContact OE2-NH1 3.21Å; E163-R221 IonicContact OE2-NH2 3.1Å; I166-R221 HydrophobicContact CD1-CB 4.26Å; I166-R221 HydrophobicContact CD1-CG 3.98Å; K170-R221 VanDerWaalsContact NZ-NH2 3.17Å; E217-R221 PolarHBondContact O-N 3.17Å; P218-R221 PolarHBondContact O-N 3.2Å; R221-E224 PolarHBondContact O-N 2.86Å; R221-V225 WeakPolarHBondContact O-CB 3.4Å; R221-V225 VanDerWaalsContact O-CG2 3.3Å; R221-V225 WeakPolarHBondContact O-CG2 3.36Å; R221-V225 PolarHBondContact O-N 3.07Å
222	L	97.6	Very high	94.1	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-59.6	-48.1	174.9	174.4	60	0	0	0	112.1	I162 V165 I166 I169 T189 A193 P218 V219 K220 V225 I226	I162-L222 HydrophobicContact CG2-CB 4.08Å; I162-L222 HydrophobicContact CG2-CD2 4.27Å; V165-L222 HydrophobicContact CB-CD1 4.31Å; V165-L222 HydrophobicContact CG1-CD1 3.47Å; V165-L222 VanDerWaalsContact CG1-CD1 3.47Å; I166-L222 HydrophobicContact CD1-CB 4.11Å; I166-L222 HydrophobicContact CG1-CB 4.05Å; I166-L222 HydrophobicContact CG1-CD1 3.87Å; I169-L222 HydrophobicContact CD1-CD1 4.14Å; T189-L222 HydrophobicContact CG2-CD2 4.22Å; A193-L222 HydrophobicContact CB-CD2 4.01Å; P218-L222 PolarHBondContact O-N 2.84Å; V219-L222 WeakPolarHBondContact O-CB 3.37Å; V219-L222 PolarHBondContact O-N 3.32Å; K220-L222 VanDerWaalsContact C-N 3.3Å; K220-L222 PolarHBondContact O-N 3.43Å; L222-V225 PolarHBondContact O-N 3.47Å; L222-I226 HydrophobicContact CD1-CD1 3.92Å; L222-I226 HydrophobicContact CD1-CG1 4.26Å; L222-I226 HydrophobicContact CG-CD1 4Å; L222-I226 VanDerWaalsContact O-CG1 3.28Å; L222-I226 WeakPolarHBondContact O-CG1 3.34Å; L222-I226 PolarHBondContact O-N 3.17Å
223	L	97.1	Very high	94.7	Very high	35 Å²	35	57.1 Å²	57.1	18%	0.183	30%	0.299	C	S	.	.	H	α-helix	trans	-64.9	-39.2	178.6	-65.3	178.6	0	0	0	112.6	W205 V219 K220 I226 A227	W205-L223 HydrophobicContact CH2-CD1 4.06Å; V219-L223 WeakPolarHBondContact O-CG 3.42Å; V219-L223 PolarHBondContact O-N 3.31Å; K220-L223 PolarHBondContact O-N 3.35Å; L223-I226 PolarHBondContact O-N 3.06Å; L223-A227 WeakPolarHBondContact O-CB 3.22Å; L223-A227 PolarHBondContact O-N 3.36Å
224	E	97.1	Very high	95.2	Very high	88 Å²	88	59.9 Å²	59.9	41%	0.411	31%	0.312	S	S	.	.	H	α-helix	trans	-60.4	-49.7	175.6	-73.6	168.4	171.5	0	0	110.5	K220 R221 I226 A227 E228	K220-E224 WeakPolarHBondContact CE-OE1 3.24Å; K220-E224 IonicContact NZ-OE1 3.97Å; K220-E224 WeakPolarHBondContact O-CG 3.25Å; K220-E224 PolarHBondContact O-N 3.19Å; R221-E224 PolarHBondContact O-N 2.86Å; E224-I226 PolarHBondContact O-N 3.3Å; E224-A227 PolarHBondContact O-N 2.82Å; E224-E228 WeakPolarHBondContact O-CB 3.44Å; E224-E228 VanDerWaalsContact O-CG 3.29Å; E224-E228 WeakPolarHBondContact O-CG 3.41Å; E224-E228 PolarHBondContact O-N 3.05Å
225	V	97.4	Very high	95.8	Very high	13 Å²	13	52.2 Å²	52.2	8%	0.079	28%	0.278	C	S	.	.	H	α-helix	trans	-62.5	-40.6	178.2	168.9	0	0	0	0	111.9	I166 I169 K170 R221 L222 S229	I166-V225 HydrophobicContact CG2-CG1 4.48Å; I166-V225 HydrophobicContact CG2-CG2 4.12Å; I169-V225 HydrophobicContact CB-CG1 3.9Å; I169-V225 HydrophobicContact CG2-CG1 3.6Å; K170-V225 HydrophobicContact CG-CG1 4.03Å; R221-V225 WeakPolarHBondContact O-CB 3.4Å; R221-V225 VanDerWaalsContact O-CG2 3.3Å; R221-V225 WeakPolarHBondContact O-CG2 3.36Å; R221-V225 PolarHBondContact O-N 3.07Å; L222-V225 PolarHBondContact O-N 3.47Å; V225-S229 VanDerWaalsContact O-CB 3.24Å; V225-S229 WeakPolarHBondContact O-CB 3.2Å; V225-S229 PolarHBondContact O-N 3.49Å
226	I	97.4	Very high	96	Very high	42 Å²	42	54.3 Å²	54.3	22%	0.215	29%	0.285	C	S	.	.	H	α-helix	trans	-59.1	-50.2	174.2	-71.9	166.7	0	0	0	110.4	I169 A193 L222 L223 E224 S229 I233	I169-I226 HydrophobicContact CD1-CD1 4.42Å; I169-I226 HydrophobicContact CD1-CG1 3.63Å; A193-I226 HydrophobicContact CB-CD1 3.78Å; L222-I226 HydrophobicContact CD1-CD1 3.92Å; L222-I226 HydrophobicContact CD1-CG1 4.26Å; L222-I226 HydrophobicContact CG-CD1 4Å; L222-I226 VanDerWaalsContact O-CG1 3.28Å; L222-I226 WeakPolarHBondContact O-CG1 3.34Å; L222-I226 PolarHBondContact O-N 3.17Å; L223-I226 PolarHBondContact O-N 3.06Å; E224-I226 PolarHBondContact O-N 3.3Å; I226-S229 PolarHBondContact O-N 2.78Å; I226-S229 PolarHBondContact O-OG 2.79Å; I226-I233 HydrophobicContact CG1-CD1 3.99Å; I226-I233 HydrophobicContact CG2-CD1 4.27Å
227	A	95.6	Very high	96	Very high	81 Å²	81	54.6 Å²	54.6	67%	0.669	29%	0.287	S	S	*	.	H	α-helix	trans	-65.2	-41.8	-177	0	0	0	0	0	112.4	L223 E224	L223-A227 WeakPolarHBondContact O-CB 3.22Å; L223-A227 PolarHBondContact O-N 3.36Å; E224-A227 PolarHBondContact O-N 2.82Å
228	E	95.6	Very high	95.8	Very high	148 Å²	148	50.4 Å²	50.4	69%	0.692	27%	0.269	S	S	*	.	H	α-helix	trans	-70	-31.1	179	-71.6	173.3	-179.5	0	0	112.6	E224 G230	E224-E228 WeakPolarHBondContact O-CB 3.44Å; E224-E228 VanDerWaalsContact O-CG 3.29Å; E224-E228 WeakPolarHBondContact O-CG 3.41Å; E224-E228 PolarHBondContact O-N 3.05Å; E228-G230 VanDerWaalsContact C-N 3.31Å; E228-G230 PolarHBondContact O-N 3.47Å
229	S	95.9	Very high	95.3	Very high	12 Å²	12	56.5 Å²	56.5	8%	0.084	29%	0.289	C	S	.	.	H	α-helix	trans	-65.6	-31.5	-176.1	75.4	0	0	0	0	113.9	H173 V225 I226 I231	H173-S229 PolarHBondContact ND1-O 2.78Å; V225-S229 VanDerWaalsContact O-CB 3.24Å; V225-S229 WeakPolarHBondContact O-CB 3.2Å; V225-S229 PolarHBondContact O-N 3.49Å; I226-S229 PolarHBondContact O-N 2.78Å; I226-S229 PolarHBondContact O-OG 2.79Å; S229-I231 PolarHBondContact O-N 3.34Å; S229-I231 PolarHBondContact OG-N 3.39Å
230	G	94.3	Very high	94.3	Very high	71 Å²	71	58.6 Å²	58.6	73%	0.732	30%	0.304	S	S	*	.			trans	64.8	13.7	-171.9	0	0	0	0	0	115	E228	E228-G230 VanDerWaalsContact C-N 3.31Å; E228-G230 PolarHBondContact O-N 3.47Å
231	I	97.4	Very high	92.8	Very high	18 Å²	18	61 Å²	61	9%	0.092	32%	0.317	C	S	.	.			trans	-85	137.1	-174.8	-58.8	179.9	0	0	0	110.9	I169 A172 H173 I177 L180 S229 I233	I169-I231 HydrophobicContact CG2-CD1 4.47Å; A172-I231 HydrophobicContact CB-CD1 3.64Å; H173-I231 HydrophobicContact CB-CD1 4.12Å; I177-I231 WeakPolarHBondContact O-CD1 3.32Å; I177-I231 WeakPolarHBondContact O-CG1 3.41Å; L180-I231 HydrophobicContact CB-CG2 3.57Å; S229-I231 PolarHBondContact O-N 3.34Å; S229-I231 PolarHBondContact OG-N 3.39Å; I231-I233 HydrophobicContact CB-CG1 4.15Å; I231-I233 HydrophobicContact CG2-CG1 3.89Å; I231-I233 PolarHBondContact O-N 3.2Å; I231-I233 VanDerWaalsContact O-N 3.16Å
232	E	97	Very high	91.6	Very high	76 Å²	76	65.2 Å²	65.2	36%	0.355	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	100.8	165.3	-171.8	-163.3	124.4	0	0	109.1	R114 R115 T178 H179 L180	R114-E232 IonicContact NH2-OE1 3.92Å; R114-E232 IonicContact NH2-OE2 3.49Å; R114-E232 PolarHBondContact NH2-OE2 3.45Å; R115-E232 IonicContact NH2-OE1 2.62Å; R115-E232 PolarHBondContact NH2-OE1 3Å; R115-E232 VanDerWaalsContact NH2-OE1 3.07Å; T178-E232 PolarHBondContact O-N 3.2Å; H179-E232 WeakPolarHBondContact CA-O 3.48Å; H179-E232 IonicContact CD2-OE1 3.3Å; H179-E232 IonicContact CD2-OE2 3.17Å; H179-E232 PolarHBondContact CD2-OE2 3.1Å; H179-E232 IonicContact NE2-OE2 3.39Å; H179-E232 PolarHBondContact NE2-OE2 2.74Å; L180-E232 PolarHBondContact N-O 2.83Å
233	I	97.9	Very high	90.2	Very high	29 Å²	29	67.9 Å²	67.9	15%	0.149	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	125.4	-178.9	-59.6	172.4	0	0	0	110.8	I169 L180 I182 I226 I231 W235	I169-I233 HydrophobicContact CD1-CD1 3.74Å; I169-I233 HydrophobicContact CG1-CD1 3.91Å; I169-I233 HydrophobicContact CG2-CD1 4.45Å; L180-I233 HydrophobicContact CB-CG1 4.48Å; L180-I233 CarbonylContact O-C 3.54Å; L180-I233 WeakPolarHBondContact O-CA 3.34Å; I182-I233 HydrophobicContact CD1-CG2 3.77Å; I182-I233 HydrophobicContact CG1-CG2 4.04Å; I226-I233 HydrophobicContact CG1-CD1 3.99Å; I226-I233 HydrophobicContact CG2-CD1 4.27Å; I231-I233 HydrophobicContact CB-CG1 4.15Å; I231-I233 HydrophobicContact CG2-CG1 3.89Å; I231-I233 PolarHBondContact O-N 3.2Å; I231-I233 VanDerWaalsContact O-N 3.16Å; I233-W235 HydrophobicContact CG2-CZ2 4.42Å
234	I	96.6	Very high	89.5	Confident	64 Å²	64	68.7 Å²	68.7	33%	0.328	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	140.2	168.2	-60	-60.6	0	0	0	109.4	L180 G181 I182 Y236	L180-I234 PolarHBondContact O-N 3.44Å; G181-I234 CarbonylContact C-O 3.47Å; G181-I234 VanDerWaalsContact CA-O 3.32Å; G181-I234 WeakPolarHBondContact CA-O 3.46Å; I182-I234 PolarHBondContact N-O 3.45Å; I234-Y236 HydrophobicContact CB-CE2 3.93Å; I234-Y236 HydrophobicContact CG2-CD2 4.29Å; I234-Y236 HydrophobicContact CG2-CE2 3.52Å
235	W	96.8	Very high	88.7	Confident	38 Å²	38	69 Å²	69	14%	0.144	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	128.9	-176.5	-67	85.2	0	0	0	111.2	V165 I182 T184 T189 Q190 A193 T194 I233	V165-W235 HydrophobicContact CB-CH2 4.44Å; V165-W235 HydrophobicContact CG1-CH2 3.55Å; V165-W235 HydrophobicContact CG1-CZ2 4.28Å; V165-W235 HydrophobicContact CG1-CZ3 4.35Å; V165-W235 HydrophobicContact CG2-CH2 4.04Å; V165-W235 HydrophobicContact CG2-CZ3 4.06Å; I182-W235 HydrophobicContact CB-CE3 4.13Å; I182-W235 HydrophobicContact CB-CZ3 4.26Å; I182-W235 HydrophobicContact CD1-CH2 4.27Å; I182-W235 HydrophobicContact CD1-CZ2 4.32Å; I182-W235 HydrophobicContact CG2-CE3 4.05Å; I182-W235 HydrophobicContact CG2-CH2 4.43Å; I182-W235 HydrophobicContact CG2-CZ3 3.79Å; T184-W235 HydrophobicContact CG2-CE3 4.1Å; T184-W235 HydrophobicContact CG2-CZ3 4.03Å; T189-W235 HydrophobicContact CG2-CH2 4.34Å; T189-W235 HydrophobicContact CG2-CZ3 4.48Å; Q190-W235 HydrophobicContact CB-CD2 4.33Å; Q190-W235 HydrophobicContact CB-CE3 3.92Å; Q190-W235 HydrophobicContact CB-CZ3 4.33Å; Q190-W235 HydrophobicContact CG-CB 3.86Å; Q190-W235 HydrophobicContact CG-CD2 3.97Å; Q190-W235 HydrophobicContact CG-CE3 4.02Å; Q190-W235 HydrophobicContact CG-CG 3.91Å; A193-W235 HydrophobicContact CB-CH2 3.83Å; A193-W235 HydrophobicContact CB-CZ2 3.24Å; T194-W235 HydrophobicContact CG2-CG 4.42Å; I233-W235 HydrophobicContact CG2-CZ2 4.42Å
236	Y	94.1	Very high	88.2	Confident	66 Å²	66	68.5 Å²	68.5	26%	0.259	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	107.5	176.2	-60.4	-99	0	0	0	108.1	D109 R115 M117 I182 V183 T184 I234	D109-Y236 PolarHBondContact OD2-OH 2.87Å; R115-Y236 WeakPolarHBondContact CD-OH 3.05Å; R115-Y236 PolarHBondContact NH1-OH 3.43Å; M117-Y236 HydrophobicContact CE-CD1 4.34Å; M117-Y236 HydrophobicContact CE-CD2 3.58Å; M117-Y236 HydrophobicContact CE-CE1 4.38Å; M117-Y236 HydrophobicContact CE-CE2 3.67Å; M117-Y236 HydrophobicContact CE-CG 3.96Å; M117-Y236 HydrophobicContact SD-CE2 4.1Å; I182-Y236 PolarHBondContact O-N 2.88Å; V183-Y236 VanDerWaalsContact CA-O 3.29Å; V183-Y236 WeakPolarHBondContact CA-O 3.15Å; T184-Y236 PolarHBondContact N-O 2.83Å; T184-Y236 VanDerWaalsContact N-O 3.08Å; I234-Y236 HydrophobicContact CB-CE2 3.93Å; I234-Y236 HydrophobicContact CG2-CD2 4.29Å; I234-Y236 HydrophobicContact CG2-CE2 3.52Å
237	H	92.2	Very high	88	Confident	68 Å²	68	66.6 Å²	66.6	32%	0.315	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	128.2	174.4	177.3	60	0	0	0	110.2	T184 D185 K187	T184-H237 WeakPolarHBondContact O-CA 3.24Å; T184-H237 PolarHBondContact O-ND1 3.02Å; D185-H237 PolarHBondContact O-CE1 3.03Å; D185-H237 PolarHBondContact O-ND1 3.31Å; K187-H237 WeakPolarHBondContact CE-CD2 3.37Å; K187-H237 WeakPolarHBondContact CE-NE2 3.42Å; K187-H237 VanDerWaalsContact CG-CE1 3.49Å; K187-H237 WeakPolarHBondContact CG-CE1 3.17Å
238	V	89.4	Confident	87.5	Confident	25 Å²	25	66.5 Å²	66.5	15%	0.152	34%	0.341	C	S	.	.			trans	-113.6	156.7	169.8	-70.2	0	0	0	0	109.9	V183 T184 D185 N247	V183-V238 HydrophobicContact CG1-CB 4.23Å; V183-V238 HydrophobicContact CG1-CG1 3.41Å; V183-V238 VanDerWaalsContact CG1-CG1 3.41Å; V183-V238 HydrophobicContact CG1-CG2 3.77Å; T184-V238 PolarHBondContact O-N 3.39Å; T184-V238 VanDerWaalsContact O-N 3.09Å; D185-V238 WeakPolarHBondContact CA-O 3.19Å; D185-V238 HydrophobicContact CB-CG2 4.37Å; D185-V238 VanDerWaalsContact CB-O 3.24Å; D185-V238 WeakPolarHBondContact CB-O 3.46Å; V238-N247 HydrophobicContact CG2-CB 4.04Å; V238-N247 WeakPolarHBondContact CG2-OD1 3.27Å
239	R	83.3	Confident	87.1	Confident	149 Å²	149	62.7 Å²	62.7	56%	0.562	32%	0.323	S	S	*	.			trans	-88.5	138	172.8	-67.1	-175.2	-177.7	-171	-1.1	109	R242	R239-R242 HydrophobicContact CB-CG 4.29Å
240	S	76.3	Confident	86.9	Confident	45 Å²	45	62.1 Å²	62.1	32%	0.315	32%	0.319	S	S	.	.	S	Bend	trans	-56.2	142.5	175.6	-152	0	0	0	0	112.4	D185	D185-S240 WeakPolarHBondContact OD2-CA 3.32Å; D185-S240 WeakPolarHBondContact OD2-CB 3.35Å; D185-S240 PolarHBondContact OD2-OG 3.47Å
241	H	63.2	Low	86.6	Confident	126 Å²	126	60.3 Å²	60.3	58%	0.583	29%	0.292	S	S	*	.	S	Bend	trans	56	53.6	170.6	-43.8	-58.5	0	0	0	116.2	D251	H241-D251 IonicContact CE1-OD2 2.79Å; H241-D251 PolarHBondContact CE1-OD2 2.74Å; H241-D251 IonicContact ND1-OD2 2.86Å
242	R	71.1	Confident	86	Confident	176 Å²	176	61 Å²	61	66%	0.664	30%	0.299	S	S	*	.	S	Bend	trans	-128.1	20.6	-177.9	-68.8	-61.6	-61.9	-104.9	-1.6	115.5	R239 V244	R239-R242 HydrophobicContact CB-CG 4.29Å; R242-V244 VanDerWaalsContact C-N 3.33Å
243	G	68.8	Low	85.4	Confident	55 Å²	55	58.5 Å²	58.5	57%	0.567	29%	0.288	S	S	*	.	S	Bend	trans	79.4	14.3	178.8	0	0	0	0	0	113.9	H245 E248	G243-H245 PolarHBondContact O-N 2.91Å; G243-H245 VanDerWaalsContact O-N 3.1Å; G243-E248 WeakPolarHBondContact CA-OE1 3.21Å; G243-E248 PolarHBondContact N-OE1 2.81Å
244	V	82	Confident	85	Confident	53 Å²	53	57.1 Å²	57.1	32%	0.321	28%	0.281	S	S	.	.			trans	-79.3	95.3	172.1	-179.6	0	0	0	0	106.8	Y119 R242 G246 N247 E248	Y119-V244 HydrophobicContact CE1-CG1 4Å; R242-V244 VanDerWaalsContact C-N 3.33Å; V244-G246 VanDerWaalsContact C-N 3.27Å; V244-G246 PolarHBondContact O-N 2.91Å; V244-G246 VanDerWaalsContact O-N 3.08Å; V244-N247 HydrophobicContact CB-CB 4.14Å; V244-N247 HydrophobicContact CG1-CB 4.2Å; V244-N247 WeakPolarHBondContact O-CA 3.43Å; V244-N247 WeakPolarHBondContact O-CB 3.25Å; V244-N247 PolarHBondContact O-N 3.3Å; V244-E248 PolarHBondContact O-N 3.25Å
245	H	80	Confident	84.2	Confident	93 Å²	93	55.5 Å²	55.5	43%	0.431	27%	0.273	S	S	.	.	H	α-helix	trans	-37.8	-54.7	-175.6	-177	74.4	0	0	0	113.2	Y138 G243 N247 E248 E249	Y138-H245 AromaticContact CZ-NE2 3.96Å; Y138-H245 PolarHBondContact OH-NE2 3.44Å; Y138-H245 VanDerWaalsContact OH-NE2 3.17Å; G243-H245 PolarHBondContact O-N 2.91Å; G243-H245 VanDerWaalsContact O-N 3.1Å; H245-N247 VanDerWaalsContact C-N 3.33Å; H245-N247 PolarHBondContact O-N 3.17Å; H245-E248 PolarHBondContact O-N 2.82Å; H245-E248 VanDerWaalsContact O-N 3.16Å; H245-E249 IonicContact CE1-OE1 3.13Å; H245-E249 PolarHBondContact CE1-OE1 2.95Å; H245-E249 VanDerWaalsContact CE1-OE1 3.25Å; H245-E249 WeakPolarHBondContact NE2-CG 3.32Å; H245-E249 IonicContact NE2-OE1 3.68Å; H245-E249 VanDerWaalsContact O-CG 3.31Å; H245-E249 WeakPolarHBondContact O-CG 3.08Å; H245-E249 PolarHBondContact O-N 3.3Å
246	G	87.3	Confident	83	Confident	3 Å²	3	54.9 Å²	54.9	3%	0.031	27%	0.272	C	S	.	.	H	α-helix	trans	-64	-32.2	-178.2	0	0	0	0	0	115.2	Y119 V244 A250	Y119-G246 WeakPolarHBondContact CB-O 3.5Å; V244-G246 VanDerWaalsContact C-N 3.27Å; V244-G246 PolarHBondContact O-N 2.91Å; V244-G246 VanDerWaalsContact O-N 3.08Å; G246-A250 WeakPolarHBondContact O-CB 3.42Å; G246-A250 PolarHBondContact O-N 3.03Å; G246-A250 VanDerWaalsContact O-N 3.08Å
247	N	92.6	Very high	82	Confident	2 Å²	2	52 Å²	52	1%	0.011	26%	0.263	C	S	.	.	H	α-helix	trans	-74.4	-36.9	174.7	-166.7	87.8	0	0	0	111.3	Y119 V238 V244 H245 E249 A250 D251	Y119-N247 HydrophobicContact CD1-CB 4.38Å; V238-N247 HydrophobicContact CG2-CB 4.04Å; V238-N247 WeakPolarHBondContact CG2-OD1 3.27Å; V244-N247 HydrophobicContact CB-CB 4.14Å; V244-N247 HydrophobicContact CG1-CB 4.2Å; V244-N247 WeakPolarHBondContact O-CA 3.43Å; V244-N247 WeakPolarHBondContact O-CB 3.25Å; V244-N247 PolarHBondContact O-N 3.3Å; H245-N247 VanDerWaalsContact C-N 3.33Å; H245-N247 PolarHBondContact O-N 3.17Å; N247-E249 VanDerWaalsContact C-N 3.34Å; N247-A250 PolarHBondContact O-N 3.09Å; N247-D251 WeakPolarHBondContact O-CB 3.42Å; N247-D251 PolarHBondContact O-N 3.48Å
248	E	85.7	Confident	81.2	Confident	79 Å²	79	48.8 Å²	48.8	37%	0.369	25%	0.248	S	C	.	.	H	α-helix	trans	-68.8	-35.5	177.2	-66	-178.3	162.1	0	0	111.5	G243 V244 H245 S252	G243-E248 WeakPolarHBondContact CA-OE1 3.21Å; G243-E248 PolarHBondContact N-OE1 2.81Å; V244-E248 PolarHBondContact O-N 3.25Å; H245-E248 PolarHBondContact O-N 2.82Å; H245-E248 VanDerWaalsContact O-N 3.16Å; E248-S252 VanDerWaalsContact O-CB 3.28Å; E248-S252 WeakPolarHBondContact O-CB 3.37Å; E248-S252 PolarHBondContact O-N 3.39Å
249	E	87	Confident	79.9	Confident	69 Å²	69	51.2 Å²	51.2	32%	0.322	25%	0.254	S	S	.	.	H	α-helix	trans	-66.6	-41	170.8	-68.7	-66.8	157.1	0	0	112	Y138 H245 N247 S252 L253	Y138-E249 HydrophobicContact CD1-CB 3.78Å; Y138-E249 HydrophobicContact CD1-CG 4.41Å; Y138-E249 HydrophobicContact CD2-CB 3.51Å; Y138-E249 HydrophobicContact CD2-CG 4.18Å; Y138-E249 HydrophobicContact CE1-CB 3.9Å; Y138-E249 HydrophobicContact CE1-CG 4.02Å; Y138-E249 HydrophobicContact CE2-CB 3.64Å; Y138-E249 HydrophobicContact CE2-CG 3.76Å; Y138-E249 HydrophobicContact CG-CB 3.57Å; Y138-E249 HydrophobicContact CG-CG 4.48Å; H245-E249 IonicContact CE1-OE1 3.13Å; H245-E249 PolarHBondContact CE1-OE1 2.95Å; H245-E249 VanDerWaalsContact CE1-OE1 3.25Å; H245-E249 WeakPolarHBondContact NE2-CG 3.32Å; H245-E249 IonicContact NE2-OE1 3.68Å; H245-E249 VanDerWaalsContact O-CG 3.31Å; H245-E249 WeakPolarHBondContact O-CG 3.08Å; H245-E249 PolarHBondContact O-N 3.3Å; N247-E249 VanDerWaalsContact C-N 3.34Å; E249-S252 PolarHBondContact O-N 3.19Å; E249-L253 WeakPolarHBondContact O-CB 3.46Å; E249-L253 VanDerWaalsContact O-CG 3.24Å; E249-L253 WeakPolarHBondContact O-CG 3.41Å; E249-L253 PolarHBondContact O-N 2.96Å
250	A	91.7	Very high	78.4	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-65.1	-43.1	174.9	0	0	0	0	0	112.1	D121 G246 N247 L253 A254	D121-A250 HydrophobicContact CB-CB 3.93Å; G246-A250 WeakPolarHBondContact O-CB 3.42Å; G246-A250 PolarHBondContact O-N 3.03Å; G246-A250 VanDerWaalsContact O-N 3.08Å; N247-A250 PolarHBondContact O-N 3.09Å; A250-L253 PolarHBondContact O-N 3.22Å; A250-A254 WeakPolarHBondContact O-CB 3.5Å; A250-A254 PolarHBondContact O-N 3.46Å
251	D	89.1	Confident	77	Confident	32 Å²	32	42.9 Å²	42.9	17%	0.171	22%	0.22	C	C	.	.	H	α-helix	trans	-60.1	-44.6	172.9	-179.8	41.1	0	0	0	110.9	D121 H241 N247 A254 N255	D121-D251 WeakPolarHBondContact OD2-CA 3.46Å; D121-D251 VanDerWaalsContact OD2-CB 3.28Å; D121-D251 WeakPolarHBondContact OD2-CB 3.1Å; H241-D251 IonicContact CE1-OD2 2.79Å; H241-D251 PolarHBondContact CE1-OD2 2.74Å; H241-D251 IonicContact ND1-OD2 2.86Å; N247-D251 WeakPolarHBondContact O-CB 3.42Å; N247-D251 PolarHBondContact O-N 3.48Å; D251-A254 PolarHBondContact O-N 2.88Å; D251-N255 WeakPolarHBondContact O-CB 3.24Å; D251-N255 PolarHBondContact O-N 3.38Å; D251-N255 PolarHBondContact O-ND2 3.2Å; D251-N255 PolarHBondContact OD1-ND2 3.39Å
252	S	83.2	Confident	76.3	Confident	32 Å²	32	37 Å²	37	22%	0.224	19%	0.193	C	C	.	.	H	α-helix	trans	-59.6	-50.1	175.9	-175.8	0	0	0	0	111.3	E248 E249 A254 N255 I256 Q455	E248-S252 VanDerWaalsContact O-CB 3.28Å; E248-S252 WeakPolarHBondContact O-CB 3.37Å; E248-S252 PolarHBondContact O-N 3.39Å; E249-S252 PolarHBondContact O-N 3.19Å; S252-A254 VanDerWaalsContact C-N 3.32Å; S252-A254 PolarHBondContact O-N 3.08Å; S252-N255 CarbonylContact O-C 3.58Å; S252-N255 PolarHBondContact O-N 3.23Å; S252-I256 VanDerWaalsContact O-CG1 3.26Å; S252-I256 WeakPolarHBondContact O-CG1 3.39Å; S252-I256 PolarHBondContact O-N 3.49Å; S252-Q455 PolarHBondContact OG-OE1 3.42Å
253	L	85.8	Confident	75.9	Confident	25 Å²	25	29.7 Å²	29.7	13%	0.131	17%	0.165	C	C	.	.	H	α-helix	trans	-60.6	-38.6	175.6	-71.1	169.9	0	0	0	112.4	V137 Y138 N146 V147 S148 E249 A250 I256 G257	V137-L253 VanDerWaalsContact O-CD1 3.31Å; V137-L253 WeakPolarHBondContact O-CD1 3.3Å; Y138-L253 HydrophobicContact CD2-CD1 4.17Å; N146-L253 HydrophobicContact CB-CD1 4.13Å; V147-L253 WeakPolarHBondContact O-CB 3.29Å; S148-L253 VanDerWaalsContact CB-O 3.23Å; S148-L253 WeakPolarHBondContact CB-O 3.4Å; S148-L253 PolarHBondContact OG-O 3.31Å; E249-L253 WeakPolarHBondContact O-CB 3.46Å; E249-L253 VanDerWaalsContact O-CG 3.24Å; E249-L253 WeakPolarHBondContact O-CG 3.41Å; E249-L253 PolarHBondContact O-N 2.96Å; A250-L253 PolarHBondContact O-N 3.22Å; L253-I256 HydrophobicContact CD2-CD1 4.48Å; L253-I256 PolarHBondContact O-N 2.84Å; L253-G257 PolarHBondContact O-N 3.46Å
254	A	89.1	Confident	76	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-66.2	-41.1	175.9	0	0	0	0	0	111.6	D121 G134 A250 D251 S252 G257 A258	D121-A254 HydrophobicContact CB-CB 4.27Å; G134-A254 CarbonylContact C-O 3.31Å; A250-A254 WeakPolarHBondContact O-CB 3.5Å; A250-A254 PolarHBondContact O-N 3.46Å; D251-A254 PolarHBondContact O-N 2.88Å; S252-A254 VanDerWaalsContact C-N 3.32Å; S252-A254 PolarHBondContact O-N 3.08Å; A254-G257 PolarHBondContact O-N 3.21Å; A254-A258 WeakPolarHBondContact O-CB 3.47Å; A254-A258 PolarHBondContact O-N 2.74Å
255	N	80.1	Confident	76	Confident	30 Å²	30	31.9 Å²	31.9	16%	0.16	15%	0.154	C	C	.	.	H	α-helix	trans	-66.1	-39	173.8	-79.1	-66.2	0	0	0	112.1	S123 N125 D251 S252 G257 A258 R259	S123-N255 PolarHBondContact OG-OD1 3.43Å; N125-N255 PolarHBondContact ND2-OD1 2.92Å; D251-N255 WeakPolarHBondContact O-CB 3.24Å; D251-N255 PolarHBondContact O-N 3.38Å; D251-N255 PolarHBondContact O-ND2 3.2Å; D251-N255 PolarHBondContact OD1-ND2 3.39Å; S252-N255 CarbonylContact O-C 3.58Å; S252-N255 PolarHBondContact O-N 3.23Å; N255-G257 VanDerWaalsContact C-N 3.35Å; N255-A258 PolarHBondContact O-N 3.47Å; N255-R259 WeakPolarHBondContact O-CA 3.46Å; N255-R259 WeakPolarHBondContact O-CB 3.27Å; N255-R259 WeakPolarHBondContact O-CG 3.48Å; N255-R259 PolarHBondContact O-N 3.09Å
256	I	70.1	Confident	76.4	Confident	24 Å²	24	27.5 Å²	27.5	12%	0.123	13%	0.133	C	C	.	.	H	α-helix	trans	-62.6	-43.3	171.2	-63.9	164.4	0	0	0	109.8	S148 S252 L253 A258 G260 D261 Q455	S148-I256 WeakPolarHBondContact OG-CB 3.28Å; S148-I256 WeakPolarHBondContact OG-CG2 3.35Å; S252-I256 VanDerWaalsContact O-CG1 3.26Å; S252-I256 WeakPolarHBondContact O-CG1 3.39Å; S252-I256 PolarHBondContact O-N 3.49Å; L253-I256 HydrophobicContact CD2-CD1 4.48Å; L253-I256 PolarHBondContact O-N 2.84Å; I256-A258 VanDerWaalsContact C-N 3.29Å; I256-A258 PolarHBondContact O-N 3.35Å; I256-G260 CarbonylContact O-C 3.6Å; I256-G260 VanDerWaalsContact O-C 3.3Å; I256-G260 WeakPolarHBondContact O-CA 3.36Å; I256-G260 PolarHBondContact O-N 2.99Å; I256-D261 HydrophobicContact CG2-CB 4.24Å; I256-Q455 HydrophobicContact CG1-CG 4.46Å
257	G	74.1	Confident	76.2	Confident	6 Å²	6	30.6 Å²	30.6	6%	0.062	14%	0.144	C	C	.	.	H	α-helix	trans	-61.2	-38.8	174.6	0	0	0	0	0	112.7	S148 E149 R150 L253 A254 N255	S148-G257 PolarHBondContact OG-N 3.25Å; S148-G257 VanDerWaalsContact OG-N 3.12Å; E149-G257 VanDerWaalsContact C-CA 3.44Å; E149-G257 WeakPolarHBondContact O-CA 3.4Å; R150-G257 WeakPolarHBondContact CA-O 3.19Å; R150-G257 WeakPolarHBondContact CB-O 3.31Å; R150-G257 VanDerWaalsContact CD-O 3.3Å; R150-G257 WeakPolarHBondContact CD-O 3.32Å; R150-G257 PolarHBondContact N-O 2.91Å; L253-G257 PolarHBondContact O-N 3.46Å; A254-G257 PolarHBondContact O-N 3.21Å; N255-G257 VanDerWaalsContact C-N 3.35Å
258	A	75.2	Confident	75.8	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-75.3	-41.5	-178.2	0	0	0	0	0	111.9	R132 A254 N255 I256	R132-A258 WeakPolarHBondContact CB-O 3.38Å; A254-A258 WeakPolarHBondContact O-CB 3.47Å; A254-A258 PolarHBondContact O-N 2.74Å; N255-A258 PolarHBondContact O-N 3.47Å; I256-A258 VanDerWaalsContact C-N 3.29Å; I256-A258 PolarHBondContact O-N 3.35Å
259	R	62.8	Low	76	Confident	76 Å²	76	31 Å²	31	29%	0.287	15%	0.147	S	C	.	.	H	α-helix	trans	-104.4	-5.5	-170.7	-59.7	177.6	174.2	-109.1	2.9	113.4	N125 N255 L457 E458	N125-R259 HydrophobicContact CB-CG 4.4Å; N125-R259 VanDerWaalsContact CG-NE 3.3Å; N125-R259 PolarHBondContact ND2-NE 3.45Å; N125-R259 PolarHBondContact OD1-NH2 2.87Å; N255-R259 WeakPolarHBondContact O-CA 3.46Å; N255-R259 WeakPolarHBondContact O-CB 3.27Å; N255-R259 WeakPolarHBondContact O-CG 3.48Å; N255-R259 PolarHBondContact O-N 3.09Å; R259-L457 HydrophobicContact CB-CD2 3.95Å; R259-L457 VanDerWaalsContact CD-CD2 3.49Å; R259-L457 HydrophobicContact CG-CD2 4.38Å; R259-E458 WeakPolarHBondContact O-CB 3.38Å; R259-E458 WeakPolarHBondContact O-CG 3.29Å; R259-E458 PolarHBondContact O-N 2.92Å
260	G	52.1	Low	76.3	Confident	11 Å²	11	28.6 Å²	28.6	11%	0.113	14%	0.136	C	C	.	.			trans	71.5	177	-169.5	0	0	0	0	0	114.7	I256 G262 E458	I256-G260 CarbonylContact O-C 3.6Å; I256-G260 VanDerWaalsContact O-C 3.3Å; I256-G260 WeakPolarHBondContact O-CA 3.36Å; I256-G260 PolarHBondContact O-N 2.99Å; G260-G262 PolarHBondContact O-N 3.29Å; G260-E458 VanDerWaalsContact CA-OE1 3.27Å; G260-E458 WeakPolarHBondContact CA-OE1 3.37Å
261	D	47.2	Very low	76.3	Confident	8 Å²	8	30.9 Å²	30.9	4%	0.043	15%	0.146	C	C	.	.	S	Bend	trans	-90.6	14.6	-169.8	56.7	23.4	0	0	0	115.2	I256 R267 N291 I293 P456	I256-D261 HydrophobicContact CG2-CB 4.24Å; D261-R267 IonicContact OD2-NH1 3.65Å; D261-N291 HydrophobicContact CB-CB 3.91Å; D261-I293 HydrophobicContact CB-CD1 4.06Å; D261-I293 HydrophobicContact CB-CG1 4.27Å; D261-I293 WeakPolarHBondContact O-CD1 3.42Å; D261-I293 WeakPolarHBondContact O-CG1 3.34Å; D261-P456 WeakPolarHBondContact O-CB 3.4Å
262	G	47.1	Very low	76.2	Confident	2 Å²	2	33.4 Å²	33.4	2%	0.021	17%	0.167	C	C	.	.	S	Bend	trans	129.4	-14.3	171.6	0	0	0	0	0	115.9	G260 L457	G260-G262 PolarHBondContact O-N 3.29Å; G262-L457 CarbonylContact C-O 3.54Å; G262-L457 VanDerWaalsContact C-O 3.31Å; G262-L457 WeakPolarHBondContact CA-O 3.49Å; G262-L457 CarbonylContact O-C 3.56Å
263	R	62.7	Low	76.6	Confident	23 Å²	23	35.3 Å²	35.3	9%	0.087	17%	0.173	C	C	.	.	S	Bend	trans	-149.6	121.5	178.4	-68.2	-179.4	-84.5	-139.5	-144	111.6	F265 V266 L314 V431	R263-F265 PolarHBondContact O-N 3.11Å; R263-V266 HydrophobicContact CB-CB 4.1Å; R263-V266 HydrophobicContact CB-CG2 3.29Å; R263-V266 HydrophobicContact CG-CG2 4.19Å; R263-V266 PolarHBondContact O-N 3.13Å; R263-V266 VanDerWaalsContact O-N 3.16Å; R263-L314 WeakPolarHBondContact CD-O 3.46Å; R263-L314 PolarHBondContact NE-O 3.2Å; R263-L314 PolarHBondContact NH1-O 3.31Å; R263-L314 PolarHBondContact NH2-O 2.9Å; R263-V431 VanDerWaalsContact NH2-CG1 3.27Å
264	Y	71.2	Confident	77.1	Confident	80 Å²	80	35.5 Å²	35.5	31%	0.314	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.7	134.1	173.8	175	-101.6	0	0	0	109.2	V266 L323 F327 E458	Y264-V266 VanDerWaalsContact C-N 3.33Å; Y264-V266 PolarHBondContact O-N 3.03Å; Y264-L323 HydrophobicContact CD2-CB 4.26Å; Y264-L323 HydrophobicContact CE1-CB 4.47Å; Y264-L323 HydrophobicContact CE1-CD1 3.77Å; Y264-L323 HydrophobicContact CE2-CB 4.12Å; Y264-L323 HydrophobicContact CE2-CD1 3.76Å; Y264-L323 WeakPolarHBondContact OH-CD1 3.45Å; Y264-F327 WeakPolarHBondContact O-CD2 3.36Å; Y264-F327 WeakPolarHBondContact O-CE2 3.32Å; Y264-E458 PolarHBondContact N-O 3.45Å
265	F	82.4	Confident	77.4	Confident	75 Å²	75	35.6 Å²	35.6	33%	0.329	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.6	2.4	178.2	-159.8	-123.9	0	0	0	116.8	R263 E268 S269 I273 F327	R263-F265 PolarHBondContact O-N 3.11Å; F265-E268 WeakPolarHBondContact CA-OE2 3.4Å; F265-E268 HydrophobicContact CD2-CB 3.76Å; F265-E268 HydrophobicContact CD2-CG 4.49Å; F265-E268 HydrophobicContact CE2-CB 3.89Å; F265-S269 WeakPolarHBondContact O-CB 3.46Å; F265-S269 PolarHBondContact O-N 2.86Å; F265-S269 PolarHBondContact O-OG 2.93Å; F265-I273 HydrophobicContact CE1-CD1 4.11Å; F265-I273 HydrophobicContact CZ-CD1 3.66Å; F265-F327 HydrophobicContact CB-CD2 4.3Å; F265-F327 HydrophobicContact CB-CE2 4.21Å; F265-F327 HydrophobicContact CD1-CD1 4.22Å; F265-F327 AromaticContact CD1-CE1 3.92Å; F265-F327 HydrophobicContact CD1-CE1 3.92Å; F265-F327 HydrophobicContact CD1-CE2 4.49Å; F265-F327 HydrophobicContact CD1-CZ 4.06Å
266	V	87.3	Confident	78.2	Confident	1 Å²	1	34.3 Å²	34.3	1%	0.006	17%	0.168	C	C	.	.	H	α-helix	trans	-65.2	-50.6	178.4	160.1	0	0	0	0	112.6	R263 Y264 E268 S269 L270 L314 F327	R263-V266 HydrophobicContact CB-CB 4.1Å; R263-V266 HydrophobicContact CB-CG2 3.29Å; R263-V266 HydrophobicContact CG-CG2 4.19Å; R263-V266 PolarHBondContact O-N 3.13Å; R263-V266 VanDerWaalsContact O-N 3.16Å; Y264-V266 VanDerWaalsContact C-N 3.33Å; Y264-V266 PolarHBondContact O-N 3.03Å; V266-E268 PolarHBondContact O-N 2.86Å; V266-S269 WeakPolarHBondContact CA-OG 3.48Å; V266-S269 PolarHBondContact O-N 3.09Å; V266-S269 PolarHBondContact O-OG 3.43Å; V266-L270 HydrophobicContact CG1-CD1 3.72Å; V266-L270 HydrophobicContact CG1-CG 4.38Å; V266-L270 WeakPolarHBondContact O-CB 3.5Å; V266-L270 VanDerWaalsContact O-CG 3.26Å; V266-L270 WeakPolarHBondContact O-CG 3.29Å; V266-L270 PolarHBondContact O-N 2.85Å; V266-L314 HydrophobicContact CG2-CB 3.98Å; V266-L314 HydrophobicContact CG2-CD1 4.22Å; V266-F327 HydrophobicContact CG2-CE2 3.78Å
267	R	84.1	Confident	79.4	Confident	67 Å²	67	35.7 Å²	35.7	25%	0.253	18%	0.175	S	C	.	.	H	α-helix	trans	-61.2	-49.2	-178.9	173.7	171.8	-107.7	122	-10.4	110.8	D261 S269 L270 E271 L368	D261-R267 IonicContact OD2-NH1 3.65Å; R267-S269 PolarHBondContact O-N 3.12Å; R267-L270 PolarHBondContact O-N 3.17Å; R267-E271 VanDerWaalsContact CG-CD 3.44Å; R267-E271 HydrophobicContact CG-CG 4.28Å; R267-E271 WeakPolarHBondContact CG-OE1 3.42Å; R267-E271 WeakPolarHBondContact CG-OE2 3.44Å; R267-E271 IonicContact NE-OE1 2.81Å; R267-E271 PolarHBondContact NE-OE1 3.41Å; R267-E271 WeakPolarHBondContact O-CB 3.5Å; R267-E271 WeakPolarHBondContact O-CG 3.5Å; R267-E271 PolarHBondContact O-N 2.81Å; R267-L368 HydrophobicContact CB-CD1 4.47Å; R267-L368 HydrophobicContact CG-CD1 4.14Å
268	E	84.2	Confident	80.5	Confident	87 Å²	87	36.3 Å²	36.3	41%	0.407	18%	0.179	S	C	.	.	H	α-helix	trans	-62.4	-44.9	-179.5	-63.6	83.5	172.6	0	0	111.4	F265 V266 L270 S272	F265-E268 WeakPolarHBondContact CA-OE2 3.4Å; F265-E268 HydrophobicContact CD2-CB 3.76Å; F265-E268 HydrophobicContact CD2-CG 4.49Å; F265-E268 HydrophobicContact CE2-CB 3.89Å; V266-E268 PolarHBondContact O-N 2.86Å; E268-L270 PolarHBondContact O-N 3.35Å; E268-S272 WeakPolarHBondContact O-CA 3.07Å; E268-S272 WeakPolarHBondContact O-CB 3.25Å; E268-S272 PolarHBondContact O-N 3.47Å
269	S	90	Very high	81.4	Confident	4 Å²	4	36.3 Å²	36.3	3%	0.028	18%	0.179	C	C	.	.	H	α-helix	trans	-65.8	-37	177.3	62.9	0	0	0	0	112.3	F265 V266 R267 I273 I274	F265-S269 WeakPolarHBondContact O-CB 3.46Å; F265-S269 PolarHBondContact O-N 2.86Å; F265-S269 PolarHBondContact O-OG 2.93Å; V266-S269 WeakPolarHBondContact CA-OG 3.48Å; V266-S269 PolarHBondContact O-N 3.09Å; V266-S269 PolarHBondContact O-OG 3.43Å; R267-S269 PolarHBondContact O-N 3.12Å; S269-I273 CarbonylContact O-C 3.58Å; S269-I273 WeakPolarHBondContact O-CA 3.37Å; S269-I273 WeakPolarHBondContact O-CB 3.28Å; S269-I273 PolarHBondContact O-N 2.93Å; S269-I274 WeakPolarHBondContact O-CG1 3.47Å; S269-I274 PolarHBondContact O-N 3.44Å
270	L	92.8	Very high	83	Confident	17 Å²	17	32.9 Å²	32.9	9%	0.089	17%	0.166	C	C	.	.	I	π-helix	trans	-67.6	-55.6	175.4	-74.2	172.6	0	0	0	111.6	V266 R267 E268 I274 I275 V288 L314 L368	V266-L270 HydrophobicContact CG1-CD1 3.72Å; V266-L270 HydrophobicContact CG1-CG 4.38Å; V266-L270 WeakPolarHBondContact O-CB 3.5Å; V266-L270 VanDerWaalsContact O-CG 3.26Å; V266-L270 WeakPolarHBondContact O-CG 3.29Å; V266-L270 PolarHBondContact O-N 2.85Å; R267-L270 PolarHBondContact O-N 3.17Å; E268-L270 PolarHBondContact O-N 3.35Å; L270-I274 HydrophobicContact CD2-CD1 4.4Å; L270-I275 HydrophobicContact CB-CD1 4.21Å; L270-I275 VanDerWaalsContact O-CB 3.25Å; L270-I275 WeakPolarHBondContact O-CB 3.43Å; L270-I275 VanDerWaalsContact O-CG1 3.3Å; L270-I275 WeakPolarHBondContact O-CG1 3.4Å; L270-I275 PolarHBondContact O-N 3.21Å; L270-V288 HydrophobicContact CD1-CG1 4.07Å; L270-V288 HydrophobicContact CD2-CG1 4.47Å; L270-L314 HydrophobicContact CD2-CD1 3.98Å; L270-L314 HydrophobicContact CG-CD1 3.99Å; L270-L368 HydrophobicContact CB-CD1 4.28Å; L270-L368 HydrophobicContact CD1-CD1 4.09Å
271	E	91.1	Very high	85	Confident	48 Å²	48	36.6 Å²	36.6	22%	0.224	18%	0.184	C	C	.	.	I	π-helix	trans	-72.5	-37.6	-170.7	-67.3	174.5	176.8	0	0	112.4	R267 P276 I366 L368	R267-E271 VanDerWaalsContact CG-CD 3.44Å; R267-E271 HydrophobicContact CG-CG 4.28Å; R267-E271 WeakPolarHBondContact CG-OE1 3.42Å; R267-E271 WeakPolarHBondContact CG-OE2 3.44Å; R267-E271 IonicContact NE-OE1 2.81Å; R267-E271 PolarHBondContact NE-OE1 3.41Å; R267-E271 WeakPolarHBondContact O-CB 3.5Å; R267-E271 WeakPolarHBondContact O-CG 3.5Å; R267-E271 PolarHBondContact O-N 2.81Å; E271-P276 WeakPolarHBondContact O-CD 3.46Å; E271-P276 VanDerWaalsContact O-CG 3.23Å; E271-P276 WeakPolarHBondContact O-CG 3.44Å; E271-I366 HydrophobicContact CG-CB 4.47Å; E271-L368 HydrophobicContact CG-CD1 3.84Å; E271-L368 HydrophobicContact CG-CG 4.17Å; E271-L368 WeakPolarHBondContact OE1-CD1 3.5Å
272	S	88.6	Confident	87.3	Confident	86 Å²	86	38.2 Å²	38.2	60%	0.601	20%	0.202	S	C	*	.	I	π-helix	trans	-104.4	-15.1	-171.3	-54.9	0	0	0	0	114.5	E268	E268-S272 WeakPolarHBondContact O-CA 3.07Å; E268-S272 WeakPolarHBondContact O-CB 3.25Å; E268-S272 PolarHBondContact O-N 3.47Å
273	I	91.8	Very high	89.7	Confident	71 Å²	71	40.7 Å²	40.7	36%	0.364	22%	0.217	S	C	.	.	I	π-helix	trans	-125.5	-69	-173.5	-54.1	176.9	0	0	0	111.1	F265 S269 I277	F265-I273 HydrophobicContact CE1-CD1 4.11Å; F265-I273 HydrophobicContact CZ-CD1 3.66Å; S269-I273 CarbonylContact O-C 3.58Å; S269-I273 WeakPolarHBondContact O-CA 3.37Å; S269-I273 WeakPolarHBondContact O-CB 3.28Å; S269-I273 PolarHBondContact O-N 2.93Å; I273-I277 HydrophobicContact CG2-CD1 3.75Å; I273-I277 VanDerWaalsContact O-CB 3.3Å; I273-I277 WeakPolarHBondContact O-CB 3.33Å; I273-I277 WeakPolarHBondContact O-CD1 3.43Å; I273-I277 WeakPolarHBondContact O-CG1 3.42Å; I273-I277 PolarHBondContact O-N 2.85Å
274	I	94.8	Very high	91.3	Very high	29 Å²	29	43.3 Å²	43.3	15%	0.149	24%	0.238	C	C	.	.	I	π-helix	trans	-68.3	-54.4	-166.7	-65.4	164.3	0	0	0	111.1	S269 L270 I277 C278 I312 L314	S269-I274 WeakPolarHBondContact O-CG1 3.47Å; S269-I274 PolarHBondContact O-N 3.44Å; L270-I274 HydrophobicContact CD2-CD1 4.4Å; I274-I277 PolarHBondContact O-N 3.48Å; I274-C278 WeakPolarHBondContact O-CB 3.12Å; I274-C278 PolarHBondContact O-N 3.18Å; I274-C278 PolarHBondContact O-SG 2.52Å; I274-I312 HydrophobicContact CG2-CD1 4.1Å; I274-L314 HydrophobicContact CD1-CD1 3.67Å; I274-L314 HydrophobicContact CD1-CD2 3.66Å; I274-L314 HydrophobicContact CD1-CG 4.18Å
275	I	96.4	Very high	92.6	Very high	2 Å²	2	44.7 Å²	44.7	1%	0.01	25%	0.248	C	C	.	.	H	α-helix	trans	-62.8	-48.5	-178.3	-63.2	167.9	0	0	0	110.2	L270 I277 C278 L279 V288 L364 I366 V386	L270-I275 HydrophobicContact CB-CD1 4.21Å; L270-I275 VanDerWaalsContact O-CB 3.25Å; L270-I275 WeakPolarHBondContact O-CB 3.43Å; L270-I275 VanDerWaalsContact O-CG1 3.3Å; L270-I275 WeakPolarHBondContact O-CG1 3.4Å; L270-I275 PolarHBondContact O-N 3.21Å; I275-I277 PolarHBondContact O-N 3.09Å; I275-C278 PolarHBondContact O-N 3.33Å; I275-L279 HydrophobicContact CG2-CD1 3.62Å; I275-L279 WeakPolarHBondContact O-CD1 3.43Å; I275-L279 PolarHBondContact O-N 2.87Å; I275-V288 HydrophobicContact CD1-CG2 4.1Å; I275-L364 HydrophobicContact CB-CD1 4.48Å; I275-L364 HydrophobicContact CG2-CD1 3.78Å; I275-I366 HydrophobicContact CB-CD1 3.94Å; I275-I366 HydrophobicContact CD1-CD1 3.77Å; I275-I366 HydrophobicContact CD1-CG2 4.37Å; I275-I366 HydrophobicContact CG1-CD1 4.46Å; I275-I366 HydrophobicContact CG2-CD1 3.62Å; I275-V386 HydrophobicContact CG2-CG2 4.01Å
276	P	95.6	Very high	93.3	Very high	4 Å²	4	42.3 Å²	42.3	3%	0.026	24%	0.238	C	C	.	.	H	α-helix	trans	-51.8	-47.6	171.9	-30.9	37.7	0	0	0	114.8	E271 L279 A280 T359 V360 L364	E271-P276 WeakPolarHBondContact O-CD 3.46Å; E271-P276 VanDerWaalsContact O-CG 3.23Å; E271-P276 WeakPolarHBondContact O-CG 3.44Å; P276-L279 PolarHBondContact O-N 3.45Å; P276-A280 VanDerWaalsContact O-CB 3.28Å; P276-A280 WeakPolarHBondContact O-CB 3.15Å; P276-A280 PolarHBondContact O-N 2.97Å; P276-T359 VanDerWaalsContact CB-OG1 3.29Å; P276-T359 WeakPolarHBondContact CB-OG1 3.31Å; P276-V360 HydrophobicContact CB-CB 4.09Å; P276-L364 HydrophobicContact CB-CD1 4.32Å; P276-L364 HydrophobicContact CG-CD1 3.75Å; P276-L364 HydrophobicContact CG-CG 4.25Å
277	I	95.7	Very high	93.8	Very high	52 Å²	52	44.7 Å²	44.7	27%	0.267	25%	0.249	S	C	.	.	H	α-helix	trans	-64.4	-44	178.9	-71.2	171.2	0	0	0	110.7	I273 I274 I275 A280 N281 Y357	I273-I277 HydrophobicContact CG2-CD1 3.75Å; I273-I277 VanDerWaalsContact O-CB 3.3Å; I273-I277 WeakPolarHBondContact O-CB 3.33Å; I273-I277 WeakPolarHBondContact O-CD1 3.43Å; I273-I277 WeakPolarHBondContact O-CG1 3.42Å; I273-I277 PolarHBondContact O-N 2.85Å; I274-I277 PolarHBondContact O-N 3.48Å; I275-I277 PolarHBondContact O-N 3.09Å; I277-A280 PolarHBondContact O-N 2.92Å; I277-N281 WeakPolarHBondContact O-CB 3.47Å; I277-N281 PolarHBondContact O-N 3.48Å; I277-N281 PolarHBondContact O-ND2 2.9Å; I277-Y357 HydrophobicContact CD1-CD2 4.31Å; I277-Y357 HydrophobicContact CG1-CD2 4.49Å
278	C	96.5	Very high	94.4	Very high	20 Å²	20	42.1 Å²	42.1	14%	0.135	24%	0.24	C	C	.	.	H	α-helix	trans	-60.3	-47.9	177.7	-71.6	0	0	0	0	111.7	I274 I275 A280 N281 G282 V283 L286	I274-C278 WeakPolarHBondContact O-CB 3.12Å; I274-C278 PolarHBondContact O-N 3.18Å; I274-C278 PolarHBondContact O-SG 2.52Å; I275-C278 PolarHBondContact O-N 3.33Å; C278-A280 PolarHBondContact O-N 3.15Å; C278-N281 PolarHBondContact O-N 3.23Å; C278-G282 PolarHBondContact O-N 3.44Å; C278-V283 HydrophobicContact CB-CB 4Å; C278-V283 HydrophobicContact CB-CG1 4.49Å; C278-V283 HydrophobicContact CB-CG2 3.84Å; C278-V283 WeakPolarHBondContact O-CB 3.47Å; C278-V283 WeakPolarHBondContact O-CG2 3.44Å; C278-V283 PolarHBondContact O-N 2.98Å; C278-V283 VanDerWaalsContact O-N 3.08Å; C278-L286 HydrophobicContact CB-CD1 3.77Å; C278-L286 HydrophobicContact CB-CD2 3.87Å; C278-L286 HydrophobicContact CB-CG 4.34Å
279	L	95.7	Very high	95	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-58	-51.8	177.1	-91.7	66.4	0	0	0	110.2	I275 P276 N281 G282 L286 V360 L364 Y376 L378 Q382 V386	I275-L279 HydrophobicContact CG2-CD1 3.62Å; I275-L279 WeakPolarHBondContact O-CD1 3.43Å; I275-L279 PolarHBondContact O-N 2.87Å; P276-L279 PolarHBondContact O-N 3.45Å; L279-N281 PolarHBondContact O-N 3.28Å; L279-N281 VanDerWaalsContact O-N 3.14Å; L279-G282 PolarHBondContact O-N 3.49Å; L279-L286 HydrophobicContact CD1-CD1 3.34Å; L279-V360 HydrophobicContact CB-CG2 4.19Å; L279-L364 HydrophobicContact CD2-CD1 3.85Å; L279-L364 HydrophobicContact CD2-CD2 4.26Å; L279-Y376 HydrophobicContact CD2-CD1 4.36Å; L279-Y376 HydrophobicContact CD2-CD2 4.26Å; L279-Y376 HydrophobicContact CD2-CG 3.85Å; L279-L378 HydrophobicContact CB-CD1 4.31Å; L279-L378 HydrophobicContact CB-CD2 4.48Å; L279-L378 HydrophobicContact CD2-CD2 4.46Å; L279-L378 VanDerWaalsContact O-CD1 3.29Å; L279-L378 WeakPolarHBondContact O-CD1 3.24Å; L279-Q382 PolarHBondContact O-NE2 3.14Å; L279-V386 HydrophobicContact CD1-CG2 4.03Å
280	A	95.8	Very high	95.1	Very high	3 Å²	3	40.5 Å²	40.5	3%	0.025	23%	0.233	C	C	.	.	H	α-helix	trans	-63.6	-20.5	-178.2	0	0	0	0	0	114.1	V20 P276 I277 C278 K358 T359 V360	V20-A280 HydrophobicContact CG1-CB 4.15Å; V20-A280 HydrophobicContact CG2-CB 4.45Å; P276-A280 VanDerWaalsContact O-CB 3.28Å; P276-A280 WeakPolarHBondContact O-CB 3.15Å; P276-A280 PolarHBondContact O-N 2.97Å; I277-A280 PolarHBondContact O-N 2.92Å; C278-A280 PolarHBondContact O-N 3.15Å; A280-K358 HydrophobicContact CB-CB 3.89Å; A280-T359 VanDerWaalsContact CB-C 3.45Å; A280-T359 VanDerWaalsContact CB-CA 3.49Å; A280-V360 HydrophobicContact CB-CG2 4.35Å
281	N	95	Very high	94.9	Very high	90 Å²	90	41.2 Å²	41.2	48%	0.481	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.1	7.8	179.9	-79.3	-76.4	0	0	0	115.2	I277 C278 L279 K358	I277-N281 WeakPolarHBondContact O-CB 3.47Å; I277-N281 PolarHBondContact O-N 3.48Å; I277-N281 PolarHBondContact O-ND2 2.9Å; C278-N281 PolarHBondContact O-N 3.23Å; L279-N281 PolarHBondContact O-N 3.28Å; L279-N281 VanDerWaalsContact O-N 3.14Å; N281-K358 PolarHBondContact ND2-O 2.87Å
282	G	95.5	Very high	94.9	Very high	41 Å²	41	39.4 Å²	39.4	42%	0.423	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	101.7	-0.3	175.2	0	0	0	0	0	115.8	C278 L279 S284 Q382	C278-G282 PolarHBondContact O-N 3.44Å; L279-G282 PolarHBondContact O-N 3.49Å; G282-S284 PolarHBondContact O-N 3.11Å; G282-S284 VanDerWaalsContact O-N 3.11Å; G282-Q382 VanDerWaalsContact CA-CD 3.43Å
283	V	96.9	Very high	95	Very high	55 Å²	55	36 Å²	36	33%	0.333	21%	0.206	S	C	.	.			trans	-67.3	114.7	-175.8	-179.2	0	0	0	0	109.2	C278 E285 L286 S384	C278-V283 HydrophobicContact CB-CB 4Å; C278-V283 HydrophobicContact CB-CG1 4.49Å; C278-V283 HydrophobicContact CB-CG2 3.84Å; C278-V283 WeakPolarHBondContact O-CB 3.47Å; C278-V283 WeakPolarHBondContact O-CG2 3.44Å; C278-V283 PolarHBondContact O-N 2.98Å; C278-V283 VanDerWaalsContact O-N 3.08Å; V283-E285 WeakPolarHBondContact CG1-O 3.35Å; V283-L286 HydrophobicContact CB-CD1 4.49Å; V283-L286 HydrophobicContact CG1-CD1 4.14Å; V283-L286 HydrophobicContact CG1-CD2 4.33Å; V283-L286 HydrophobicContact CG1-CG 3.85Å; V283-S384 VanDerWaalsContact O-CB 3.24Å; V283-S384 WeakPolarHBondContact O-CB 3.44Å; V283-S384 PolarHBondContact O-OG 3.35Å
284	S	96.4	Very high	95.1	Very high	77 Å²	77	34.1 Å²	34.1	54%	0.538	20%	0.197	S	C	.	.			trans	-76	-34	-173.2	55.1	0	0	0	0	113.2	G282 S384 I385	G282-S284 PolarHBondContact O-N 3.11Å; G282-S284 VanDerWaalsContact O-N 3.11Å; S284-S384 CarbonylContact O-C 3.06Å; S284-S384 VanDerWaalsContact O-CA 3.3Å; S284-S384 WeakPolarHBondContact O-CA 3.44Å; S284-I385 PolarHBondContact O-N 3.39Å
285	E	97.3	Very high	95.2	Very high	110 Å²	110	32.8 Å²	32.8	51%	0.514	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	134.4	-177.8	-64.7	-173	-162	0	0	110.8	V283 F287 I385	V283-E285 WeakPolarHBondContact CG1-O 3.35Å; E285-F287 HydrophobicContact CB-CE2 4.42Å; E285-I385 CarbonylContact C-O 3.5Å; E285-I385 WeakPolarHBondContact CA-O 3.48Å
286	L	97.8	Very high	95.3	Very high	25 Å²	25	32.8 Å²	32.8	13%	0.131	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	128.5	176.6	-79.6	139.6	0	0	0	109.2	C278 L279 V283 I385 V386 T387	C278-L286 HydrophobicContact CB-CD1 3.77Å; C278-L286 HydrophobicContact CB-CD2 3.87Å; C278-L286 HydrophobicContact CB-CG 4.34Å; L279-L286 HydrophobicContact CD1-CD1 3.34Å; V283-L286 HydrophobicContact CB-CD1 4.49Å; V283-L286 HydrophobicContact CG1-CD1 4.14Å; V283-L286 HydrophobicContact CG1-CD2 4.33Å; V283-L286 HydrophobicContact CG1-CG 3.85Å; L286-I385 PolarHBondContact N-O 3.48Å; L286-V386 HydrophobicContact CB-CG2 4.36Å; L286-V386 HydrophobicContact CD1-CG2 4.26Å; L286-V386 WeakPolarHBondContact O-CA 3.21Å; L286-T387 PolarHBondContact O-N 2.88Å
287	F	98.1	Very high	95.4	Very high	51 Å²	51	32.6 Å²	32.6	22%	0.224	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	128.9	172.7	-73.9	-109.8	0	0	0	108.3	E285 H306 L308 T387 I389	E285-F287 HydrophobicContact CB-CE2 4.42Å; F287-H306 AromaticContact CE1-ND1 3.97Å; F287-H306 HydrophobicContact CZ-CB 4.48Å; F287-L308 HydrophobicContact CB-CD1 4.22Å; F287-L308 HydrophobicContact CD2-CD1 4.2Å; F287-L308 HydrophobicContact CD2-CD2 3.68Å; F287-L308 HydrophobicContact CE2-CD2 3.78Å; F287-L308 HydrophobicContact CG-CD1 4.31Å; F287-L308 HydrophobicContact CG-CD2 4.49Å; F287-T387 WeakPolarHBondContact CA-O 3.08Å; F287-T387 HydrophobicContact CD1-CG2 4.26Å; F287-T387 HydrophobicContact CE1-CG2 4.17Å; F287-I389 HydrophobicContact CD1-CD1 4.44Å; F287-I389 HydrophobicContact CD1-CG2 3.79Å; F287-I389 HydrophobicContact CE1-CG2 4.33Å
288	V	97.2	Very high	95.5	Very high	12 Å²	12	30.1 Å²	30.1	7%	0.073	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	129.8	-179.3	-170.7	0	0	0	0	108	L270 I275 L368 V386 T387 I388 I389	L270-V288 HydrophobicContact CD1-CG1 4.07Å; L270-V288 HydrophobicContact CD2-CG1 4.47Å; I275-V288 HydrophobicContact CD1-CG2 4.1Å; V288-L368 HydrophobicContact CG1-CD2 3.86Å; V288-V386 HydrophobicContact CG2-CG1 4.28Å; V288-T387 PolarHBondContact N-O 3.19Å; V288-I388 HydrophobicContact CB-CD1 3.84Å; V288-I388 HydrophobicContact CG1-CD1 4.42Å; V288-I388 HydrophobicContact CG2-CD1 4.42Å; V288-I388 CarbonylContact O-C 3.59Å; V288-I388 VanDerWaalsContact O-CA 3.29Å; V288-I388 WeakPolarHBondContact O-CA 3.19Å; V288-I389 WeakPolarHBondContact O-CG1 3.28Å; V288-I389 PolarHBondContact O-N 2.79Å
289	G	95.3	Very high	95.6	Very high	3 Å²	3	29.7 Å²	29.7	3%	0.031	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.6	149.2	172	0	0	0	0	0	111	N291 G292 I389	G289-N291 PolarHBondContact O-N 3.47Å; G289-G292 WeakPolarHBondContact O-CA 3.5Å; G289-G292 PolarHBondContact O-N 3.13Å; G289-I389 CarbonylContact C-O 3.53Å
290	Q	93	Very high	95.7	Very high	54 Å²	54	29.7 Å²	29.7	25%	0.252	17%	0.174	S	C	.	.	G	3₁₀ helix	trans	-54.1	132.1	174.4	-169.9	-179.1	21.4	0	0	109.6	G292 I293 L368 N369 I388 I389 S391	Q290-G292 PolarHBondContact O-N 3.1Å; Q290-I293 PolarHBondContact O-N 3.09Å; Q290-L368 CarbonylContact C-O 3.43Å; Q290-L368 WeakPolarHBondContact CA-O 3.41Å; Q290-N369 PolarHBondContact NE2-O 3.26Å; Q290-I388 HydrophobicContact CB-CG2 4.39Å; Q290-I389 WeakPolarHBondContact CB-O 3.36Å; Q290-I389 PolarHBondContact N-O 2.99Å; Q290-S391 PolarHBondContact N-OG 2.97Å; Q290-S391 PolarHBondContact O-OG 2.98Å
291	N	88.6	Confident	95.9	Very high	32 Å²	32	30.7 Å²	30.7	17%	0.171	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	55.5	27.1	-171.6	-54	-48.2	0	0	0	113.4	D261 G289 I293 L368 N369	D261-N291 HydrophobicContact CB-CB 3.91Å; G289-N291 PolarHBondContact O-N 3.47Å; N291-I293 HydrophobicContact CB-CD1 4.34Å; N291-I293 HydrophobicContact CB-CG1 4.2Å; N291-I293 PolarHBondContact O-N 3.45Å; N291-I293 VanDerWaalsContact O-N 3.11Å; N291-L368 PolarHBondContact N-O 2.82Å; N291-N369 WeakPolarHBondContact OD1-CA 3.41Å; N291-N369 VanDerWaalsContact OD1-CB 3.31Å; N291-N369 WeakPolarHBondContact OD1-CB 3.36Å
292	G	90.3	Very high	96	Very high	11 Å²	11	26.7 Å²	26.7	11%	0.113	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	66.5	11.3	-175.5	0	0	0	0	0	114.6	G289 Q290	G289-G292 WeakPolarHBondContact O-CA 3.5Å; G289-G292 PolarHBondContact O-N 3.13Å; Q290-G292 PolarHBondContact O-N 3.1Å
293	I	90.3	Very high	96.1	Very high	14 Å²	14	25 Å²	25	7%	0.072	14%	0.137	C	C	.	.			trans	-93.2	121.2	-176.9	-54.4	-179.5	0	0	0	110.3	D261 Q290 N291 S391 V431 P456	D261-I293 HydrophobicContact CB-CD1 4.06Å; D261-I293 HydrophobicContact CB-CG1 4.27Å; D261-I293 WeakPolarHBondContact O-CD1 3.42Å; D261-I293 WeakPolarHBondContact O-CG1 3.34Å; Q290-I293 PolarHBondContact O-N 3.09Å; N291-I293 HydrophobicContact CB-CD1 4.34Å; N291-I293 HydrophobicContact CB-CG1 4.2Å; N291-I293 PolarHBondContact O-N 3.45Å; N291-I293 VanDerWaalsContact O-N 3.11Å; I293-S391 WeakPolarHBondContact O-CB 3.33Å; I293-S391 PolarHBondContact O-OG 3.18Å; I293-V431 HydrophobicContact CG2-CB 3.94Å; I293-V431 HydrophobicContact CG2-CG1 4Å; I293-P456 HydrophobicContact CD1-CB 4.31Å; I293-P456 HydrophobicContact CD1-CG 4.26Å
294	L	95.4	Very high	96.2	Very high	31 Å²	31	26.4 Å²	26.4	16%	0.162	14%	0.137	C	C	.	.			trans	-143.3	144.4	158.6	-73.9	173.6	0	0	0	108.8	A298 A299 I302 S391 Y435	L294-A298 HydrophobicContact CD2-CB 4.37Å; L294-A299 HydrophobicContact CB-CB 4.47Å; L294-A299 HydrophobicContact CD1-CB 4.39Å; L294-I302 HydrophobicContact CD1-CD1 4.1Å; L294-I302 HydrophobicContact CD2-CD1 3.65Å; L294-S391 WeakPolarHBondContact CD2-O 3.29Å; L294-Y435 WeakPolarHBondContact CA-OH 3.46Å
295	S	97.1	Very high	96.2	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.007	13%	0.13	C	C	.	.			trans	-71.6	152.3	160.8	71	0	0	0	0	110.4	A298 A299 Y435 D494	S295-A298 PolarHBondContact O-N 2.87Å; S295-A298 WeakPolarHBondContact OG-CB 3.36Å; S295-A298 PolarHBondContact OG-N 3.3Å; S295-A299 PolarHBondContact O-N 3.2Å; S295-Y435 PolarHBondContact N-OH 3Å; S295-D494 CarbonylContact C-O 3.52Å; S295-D494 VanDerWaalsContact CA-O 3.29Å; S295-D494 WeakPolarHBondContact CA-O 3.39Å; S295-D494 VanDerWaalsContact CB-O 3.29Å; S295-D494 WeakPolarHBondContact CB-O 3.1Å
296	T	97.5	Very high	96.2	Very high	2 Å²	2	25.2 Å²	25.2	1%	0.012	12%	0.121	C	C	.	.	H	α-helix	trans	-55.1	-47.2	174.8	-66	0	0	0	0	112.4	A298 A299 S300 L313 D494 D496 E592	T296-A298 PolarHBondContact O-N 3.04Å; T296-A299 PolarHBondContact O-N 2.76Å; T296-S300 PolarHBondContact O-N 3.2Å; T296-L313 HydrophobicContact CG2-CD2 3.9Å; T296-D494 PolarHBondContact N-O 3.23Å; T296-D494 WeakPolarHBondContact OG1-CB 3.18Å; T296-D494 PolarHBondContact OG1-OD2 3.42Å; T296-D496 HydrophobicContact CG2-CB 4.12Å; T296-E592 HydrophobicContact CG2-CB 4.12Å; T296-E592 VanDerWaalsContact CG2-CD 3.42Å; T296-E592 HydrophobicContact CG2-CG 3.59Å
297	P	98.4	Very high	96.1	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-64.5	-36.9	175.8	21.7	-32.8	0	0	0	113.5	S300 F301 Y395 I590 D594	P297-S300 WeakPolarHBondContact O-CB 3.18Å; P297-S300 PolarHBondContact O-N 3.17Å; P297-F301 PolarHBondContact O-N 2.84Å; P297-Y395 HydrophobicContact CB-CE2 4.03Å; P297-I590 HydrophobicContact CB-CD1 3.42Å; P297-I590 VanDerWaalsContact CB-CD1 3.42Å; P297-D594 HydrophobicContact CB-CB 3.94Å; P297-D594 WeakPolarHBondContact CB-OD2 3.41Å
298	A	98.4	Very high	96.1	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-64	-43.2	174.5	0	0	0	0	0	111.8	L294 S295 T296 S300 F301 I302 Y395 Y435	L294-A298 HydrophobicContact CD2-CB 4.37Å; S295-A298 PolarHBondContact O-N 2.87Å; S295-A298 WeakPolarHBondContact OG-CB 3.36Å; S295-A298 PolarHBondContact OG-N 3.3Å; T296-A298 PolarHBondContact O-N 3.04Å; A298-S300 PolarHBondContact O-N 2.79Å; A298-F301 PolarHBondContact O-N 2.81Å; A298-I302 WeakPolarHBondContact O-CB 3.43Å; A298-I302 WeakPolarHBondContact O-CD1 3.33Å; A298-I302 VanDerWaalsContact O-CG1 3.25Å; A298-I302 WeakPolarHBondContact O-CG1 3.45Å; A298-I302 PolarHBondContact O-N 3.49Å; A298-Y395 HydrophobicContact CB-CD2 3.99Å; A298-Y395 HydrophobicContact CB-CG 3.99Å; A298-Y435 HydrophobicContact CB-CE1 3.79Å; A298-Y435 WeakPolarHBondContact CB-OH 3.3Å
299	A	97.9	Very high	96.1	Very high	11 Å²	11	38.1 Å²	38.1	9%	0.091	19%	0.187	C	C	.	.	H	α-helix	trans	-60.7	-44.5	174.9	0	0	0	0	0	111.5	L294 S295 T296 F301 I302 I303 L313	L294-A299 HydrophobicContact CB-CB 4.47Å; L294-A299 HydrophobicContact CD1-CB 4.39Å; S295-A299 PolarHBondContact O-N 3.2Å; T296-A299 PolarHBondContact O-N 2.76Å; A299-F301 VanDerWaalsContact C-N 3.32Å; A299-F301 PolarHBondContact O-N 3.03Å; A299-I302 PolarHBondContact O-N 3.23Å; A299-I303 WeakPolarHBondContact O-CD1 3.11Å; A299-I303 VanDerWaalsContact O-CG1 3.24Å; A299-I303 WeakPolarHBondContact O-CG1 3.49Å; A299-I303 PolarHBondContact O-N 2.86Å; A299-L313 HydrophobicContact CB-CD2 4.12Å; A299-L313 HydrophobicContact CB-CG 4.3Å
300	S	98.3	Very high	96.2	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-56.1	-45.5	174.9	-172.8	0	0	0	0	112	T296 P297 A298 R304 G336 R591	T296-S300 PolarHBondContact O-N 3.2Å; P297-S300 WeakPolarHBondContact O-CB 3.18Å; P297-S300 PolarHBondContact O-N 3.17Å; A298-S300 PolarHBondContact O-N 2.79Å; S300-R304 WeakPolarHBondContact O-CG 3.49Å; S300-R304 PolarHBondContact O-N 3.32Å; S300-G336 WeakPolarHBondContact CA-O 3.44Å; S300-G336 VanDerWaalsContact CB-O 3.24Å; S300-G336 WeakPolarHBondContact CB-O 3.4Å; S300-G336 PolarHBondContact OG-O 3.08Å; S300-R591 PolarHBondContact OG-N 3.18Å
301	F	98.4	Very high	96.4	Very high	25 Å²	25	37 Å²	37	11%	0.11	19%	0.19	C	C	.	.	H	α-helix	trans	-65.3	-48.6	177.2	174.1	-110.8	0	0	0	112.5	P297 A298 A299 I303 R304 K305 D394 Y398 I590	P297-F301 PolarHBondContact O-N 2.84Å; A298-F301 PolarHBondContact O-N 2.81Å; A299-F301 VanDerWaalsContact C-N 3.32Å; A299-F301 PolarHBondContact O-N 3.03Å; F301-I303 PolarHBondContact O-N 3.3Å; F301-R304 PolarHBondContact O-N 3.07Å; F301-R304 VanDerWaalsContact O-N 3.13Å; F301-K305 HydrophobicContact CE1-CB 4.3Å; F301-K305 HydrophobicContact CE1-CD 3.72Å; F301-K305 HydrophobicContact CE2-CB 4.45Å; F301-K305 HydrophobicContact CZ-CB 4.16Å; F301-K305 HydrophobicContact CZ-CD 3.83Å; F301-K305 HydrophobicContact CZ-CG 4.38Å; F301-K305 WeakPolarHBondContact O-CB 3.38Å; F301-K305 PolarHBondContact O-N 3.11Å; F301-D394 HydrophobicContact CD1-CB 4.38Å; F301-D394 HydrophobicContact CE1-CB 4.04Å; F301-D394 WeakPolarHBondContact CE1-O 3.33Å; F301-Y398 HydrophobicContact CD1-CD1 4.45Å; F301-Y398 AromaticContact CD2-CD1 3.23Å; F301-Y398 HydrophobicContact CD2-CD1 3.23Å; F301-Y398 AromaticContact CD2-CE1 3.51Å; F301-Y398 HydrophobicContact CD2-CE1 3.51Å; F301-Y398 AromaticContact CD2-CG 3.82Å; F301-Y398 HydrophobicContact CD2-CG 3.82Å; F301-Y398 HydrophobicContact CE1-CD1 4.5Å; F301-Y398 HydrophobicContact CE1-CG 4.31Å; F301-Y398 AromaticContact CE2-CD1 3.3Å; F301-Y398 HydrophobicContact CE2-CD1 3.3Å; F301-Y398 AromaticContact CE2-CD2 3.8Å; F301-Y398 HydrophobicContact CE2-CD2 3.8Å; F301-Y398 AromaticContact CE2-CE1 3.68Å; F301-Y398 HydrophobicContact CE2-CE1 3.68Å; F301-Y398 HydrophobicContact CE2-CE2 4.18Å; F301-Y398 AromaticContact CE2-CG 3.36Å; F301-Y398 HydrophobicContact CE2-CG 3.36Å; F301-Y398 AromaticContact CG-CD1 3.85Å; F301-Y398 HydrophobicContact CG-CD1 3.85Å; F301-Y398 HydrophobicContact CG-CE1 4.43Å; F301-Y398 HydrophobicContact CG-CG 4.46Å; F301-Y398 AromaticContact CZ-CD1 3.97Å; F301-Y398 HydrophobicContact CZ-CD1 3.97Å; F301-Y398 HydrophobicContact CZ-CD2 4.16Å; F301-Y398 AromaticContact CZ-CG 3.64Å; F301-Y398 HydrophobicContact CZ-CG 3.64Å; F301-I590 HydrophobicContact CB-CG2 4.05Å
302	I	98.3	Very high	96.7	Very high	5 Å²	5	39.5 Å²	39.5	3%	0.026	20%	0.202	C	C	.	.	H	α-helix	trans	-60.8	-43.5	-177.7	-74.5	160.5	0	0	0	111.2	L294 A298 A299 R304 K305 H306 L308 I389 D394	L294-I302 HydrophobicContact CD1-CD1 4.1Å; L294-I302 HydrophobicContact CD2-CD1 3.65Å; A298-I302 WeakPolarHBondContact O-CB 3.43Å; A298-I302 WeakPolarHBondContact O-CD1 3.33Å; A298-I302 VanDerWaalsContact O-CG1 3.25Å; A298-I302 WeakPolarHBondContact O-CG1 3.45Å; A298-I302 PolarHBondContact O-N 3.49Å; A299-I302 PolarHBondContact O-N 3.23Å; I302-R304 PolarHBondContact O-N 2.81Å; I302-K305 PolarHBondContact O-N 3.19Å; I302-H306 PolarHBondContact O-CD2 3.08Å; I302-H306 PolarHBondContact O-N 2.62Å; I302-L308 HydrophobicContact CG2-CD1 4.44Å; I302-I389 HydrophobicContact CD1-CD1 3.72Å; I302-I389 HydrophobicContact CG1-CD1 4.34Å; I302-I389 HydrophobicContact CG2-CD1 3.89Å; I302-D394 HydrophobicContact CG1-CB 4.14Å
303	I	98.2	Very high	96.9	Very high	5 Å²	5	39.6 Å²	39.6	3%	0.026	20%	0.2	C	C	.	.	H	α-helix	trans	-54.1	-45.6	175.8	-72	163.9	0	0	0	110.5	A299 F301 Q307 L308 N332 C333	A299-I303 WeakPolarHBondContact O-CD1 3.11Å; A299-I303 VanDerWaalsContact O-CG1 3.24Å; A299-I303 WeakPolarHBondContact O-CG1 3.49Å; A299-I303 PolarHBondContact O-N 2.86Å; F301-I303 PolarHBondContact O-N 3.3Å; I303-Q307 CarbonylContact O-C 3.59Å; I303-Q307 WeakPolarHBondContact O-CA 2.92Å; I303-Q307 PolarHBondContact O-N 2.91Å; I303-L308 HydrophobicContact CG1-CD1 4.38Å; I303-L308 HydrophobicContact CG2-CB 4.3Å; I303-L308 PolarHBondContact O-N 2.85Å; I303-N332 HydrophobicContact CD1-CB 3.84Å; I303-C333 WeakPolarHBondContact CG2-O 3.45Å
304	R	97.2	Very high	97.1	Very high	85 Å²	85	39.4 Å²	39.4	32%	0.321	20%	0.199	S	C	.	.	H	α-helix	trans	-74	-43.1	-179.1	-64	173.7	70.8	-139.9	0.8	112.3	S300 F301 I302 H306 Q307 N335 H589	S300-R304 WeakPolarHBondContact O-CG 3.49Å; S300-R304 PolarHBondContact O-N 3.32Å; F301-R304 PolarHBondContact O-N 3.07Å; F301-R304 VanDerWaalsContact O-N 3.13Å; I302-R304 PolarHBondContact O-N 2.81Å; R304-H306 VanDerWaalsContact C-N 3.34Å; R304-H306 PolarHBondContact O-N 2.78Å; R304-Q307 PolarHBondContact O-N 3.06Å; R304-N335 WeakPolarHBondContact CD-O 3.36Å; R304-N335 WeakPolarHBondContact CG-O 3.47Å; R304-H589 PolarHBondContact NH1-O 3.48Å
305	K	97.4	Very high	96.9	Very high	93 Å²	93	38.1 Å²	38.1	40%	0.404	19%	0.193	S	C	.	.	H	α-helix	trans	-57.9	-47	179.7	177.6	177.4	179.2	175.1	0	111.3	F301 I302 D394	F301-K305 HydrophobicContact CE1-CB 4.3Å; F301-K305 HydrophobicContact CE1-CD 3.72Å; F301-K305 HydrophobicContact CE2-CB 4.45Å; F301-K305 HydrophobicContact CZ-CB 4.16Å; F301-K305 HydrophobicContact CZ-CD 3.83Å; F301-K305 HydrophobicContact CZ-CG 4.38Å; F301-K305 WeakPolarHBondContact O-CB 3.38Å; F301-K305 PolarHBondContact O-N 3.11Å; I302-K305 PolarHBondContact O-N 3.19Å; K305-D394 HydrophobicContact CD-CB 4.43Å; K305-D394 IonicContact NZ-OD1 2.94Å; K305-D394 PolarHBondContact NZ-OD1 2.82Å; K305-D394 IonicContact NZ-OD2 3.07Å; K305-D394 PolarHBondContact NZ-OD2 3.42Å
306	H	96.7	Very high	96.4	Very high	69 Å²	69	38.4 Å²	38.4	32%	0.319	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.8	4.8	-178	-61.6	-78.3	0	0	0	113.1	F287 I302 R304 L308 D394	F287-H306 AromaticContact CE1-ND1 3.97Å; F287-H306 HydrophobicContact CZ-CB 4.48Å; I302-H306 PolarHBondContact O-CD2 3.08Å; I302-H306 PolarHBondContact O-N 2.62Å; R304-H306 VanDerWaalsContact C-N 3.34Å; R304-H306 PolarHBondContact O-N 2.78Å; H306-L308 HydrophobicContact CB-CD2 3.87Å; H306-L308 HydrophobicContact CB-CG 3.99Å; H306-L308 PolarHBondContact O-N 2.71Å; H306-D394 IonicContact CD2-OD2 3.83Å; H306-D394 IonicContact CE1-OD2 2.88Å; H306-D394 IonicContact NE2-OD2 2.63Å; H306-D394 PolarHBondContact NE2-OD2 2.98Å
307	Q	96.9	Very high	96.1	Very high	173 Å²	173	38.9 Å²	38.9	81%	0.808	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.7	41	179.7	-62.4	169.1	74.6	0	0	113	I303 R304	I303-Q307 CarbonylContact O-C 3.59Å; I303-Q307 WeakPolarHBondContact O-CA 2.92Å; I303-Q307 PolarHBondContact O-N 2.91Å; R304-Q307 PolarHBondContact O-N 3.06Å
308	L	97.7	Very high	95.6	Very high	34 Å²	34	40 Å²	40	18%	0.178	20%	0.204	C	C	.	.			trans	-69	154.4	178.8	-52.2	-178.6	0	0	0	110.4	F287 I302 I303 H306 G310 G334	F287-L308 HydrophobicContact CB-CD1 4.22Å; F287-L308 HydrophobicContact CD2-CD1 4.2Å; F287-L308 HydrophobicContact CD2-CD2 3.68Å; F287-L308 HydrophobicContact CE2-CD2 3.78Å; F287-L308 HydrophobicContact CG-CD1 4.31Å; F287-L308 HydrophobicContact CG-CD2 4.49Å; I302-L308 HydrophobicContact CG2-CD1 4.44Å; I303-L308 HydrophobicContact CG1-CD1 4.38Å; I303-L308 HydrophobicContact CG2-CB 4.3Å; I303-L308 PolarHBondContact O-N 2.85Å; H306-L308 HydrophobicContact CB-CD2 3.87Å; H306-L308 HydrophobicContact CB-CG 3.99Å; H306-L308 PolarHBondContact O-N 2.71Å; L308-G310 PolarHBondContact O-N 2.78Å; L308-G334 VanDerWaalsContact O-CA 3.24Å; L308-G334 WeakPolarHBondContact O-CA 3.46Å
309	N	96.9	Very high	95	Very high	152 Å²	152	41.3 Å²	41.3	81%	0.813	21%	0.211	S	C	*	.	S	Bend	trans	-70.3	-20.5	178.1	-59.4	116.6	0	0	0	113.5	G334	N309-G334 WeakPolarHBondContact O-CA 3.24Å; N309-G334 PolarHBondContact O-N 3.4Å
310	G	96.8	Very high	94.3	Very high	17 Å²	17	43.1 Å²	43.1	18%	0.175	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	167	-169.6	179	0	0	0	0	0	111	L308 N332	L308-G310 PolarHBondContact O-N 2.78Å; G310-N332 CarbonylContact C-O 3.58Å; G310-N332 WeakPolarHBondContact CA-O 3.31Å
311	G	97	Very high	93.7	Very high	18 Å²	18	43.6 Å²	43.6	19%	0.186	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	144.3	177.6	0	0	0	0	0	112.3	L313 Y331 N332	G311-L313 WeakPolarHBondContact O-CD1 3.44Å; G311-Y331 WeakPolarHBondContact O-CA 3.19Å; G311-Y331 WeakPolarHBondContact O-CD2 3.4Å; G311-N332 PolarHBondContact N-O 3.13Å; G311-N332 PolarHBondContact O-N 2.92Å
312	I	96.1	Very high	92.6	Very high	83 Å²	83	42.8 Å²	42.8	43%	0.426	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	121	170.1	-60.9	171.4	0	0	0	107	I274 L314 I329 Y331	I274-I312 HydrophobicContact CG2-CD1 4.1Å; I312-L314 HydrophobicContact CG2-CD2 3.86Å; I312-I329 HydrophobicContact CG2-CG2 3.77Å; I312-Y331 HydrophobicContact CG1-CD2 4.25Å
313	L	94.6	Very high	91.4	Very high	14 Å²	14	46.4 Å²	46.4	7%	0.073	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	118.5	178.6	-64.5	76.5	0	0	0	108.1	T296 A299 G311 K330 N332	T296-L313 HydrophobicContact CG2-CD2 3.9Å; A299-L313 HydrophobicContact CB-CD2 4.12Å; A299-L313 HydrophobicContact CB-CG 4.3Å; G311-L313 WeakPolarHBondContact O-CD1 3.44Å; L313-K330 HydrophobicContact CB-CB 4.2Å; L313-K330 PolarHBondContact N-O 2.89Å; L313-K330 PolarHBondContact O-N 3.11Å; L313-N332 HydrophobicContact CD1-CB 3.9Å
314	L	93.6	Very high	90.1	Very high	10 Å²	10	53.8 Å²	53.8	5%	0.052	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	109.3	178.4	-53.5	176.3	0	0	0	107.8	R263 V266 L270 I274 I312 F327 G328 I329	R263-L314 WeakPolarHBondContact CD-O 3.46Å; R263-L314 PolarHBondContact NE-O 3.2Å; R263-L314 PolarHBondContact NH1-O 3.31Å; R263-L314 PolarHBondContact NH2-O 2.9Å; V266-L314 HydrophobicContact CG2-CB 3.98Å; V266-L314 HydrophobicContact CG2-CD1 4.22Å; L270-L314 HydrophobicContact CD2-CD1 3.98Å; L270-L314 HydrophobicContact CG-CD1 3.99Å; I274-L314 HydrophobicContact CD1-CD1 3.67Å; I274-L314 HydrophobicContact CD1-CD2 3.66Å; I274-L314 HydrophobicContact CD1-CG 4.18Å; I312-L314 HydrophobicContact CG2-CD2 3.86Å; L314-F327 HydrophobicContact CB-CE2 4.32Å; L314-F327 HydrophobicContact CB-CZ 4.15Å; L314-F327 HydrophobicContact CD1-CZ 4.26Å; L314-F327 HydrophobicContact CD2-CE1 4.49Å; L314-F327 HydrophobicContact CD2-CZ 4.13Å; L314-F327 HydrophobicContact CG-CZ 4.41Å; L314-G328 CarbonylContact C-O 3.58Å; L314-G328 WeakPolarHBondContact CA-O 3.32Å; L314-I329 HydrophobicContact CD2-CG1 3.97Å; L314-I329 HydrophobicContact CD2-CG2 4.28Å
315	T	90.6	Very high	89	Confident	3 Å²	3	51.8 Å²	51.8	2%	0.018	29%	0.286	C	S	.	.			trans	-165.1	139.9	-177.1	-174.3	0	0	0	0	113.2	S317 G328 K330 D494	T315-S317 PolarHBondContact O-N 3.31Å; T315-S317 WeakPolarHBondContact OG1-CA 3.38Å; T315-S317 PolarHBondContact OG1-N 3.37Å; T315-G328 PolarHBondContact N-O 2.9Å; T315-G328 CarbonylContact O-C 3.5Å; T315-G328 WeakPolarHBondContact O-CA 3.48Å; T315-G328 PolarHBondContact O-N 2.83Å; T315-K330 HydrophobicContact CG2-CD 3.91Å; T315-K330 HydrophobicContact CG2-CG 4.48Å; T315-D494 HydrophobicContact CG2-CB 4.11Å; T315-D494 VanDerWaalsContact CG2-OD2 3.28Å; T315-D494 WeakPolarHBondContact CG2-OD2 3.26Å; T315-D494 WeakPolarHBondContact OG1-CB 3.39Å
316	A	88.1	Confident	88.2	Confident	8 Å²	8	49.1 Å²	49.1	7%	0.066	28%	0.276	C	S	.	.			trans	-74.2	-3.8	163.9	0	0	0	0	0	112.6	H318 N319 D326 F460	A316-H318 PolarHBondContact O-N 3.49Å; A316-H318 VanDerWaalsContact O-N 3.13Å; A316-N319 WeakPolarHBondContact O-CB 3.23Å; A316-N319 PolarHBondContact O-N 2.91Å; A316-D326 HydrophobicContact CB-CB 3.94Å; A316-F460 HydrophobicContact CB-CE2 3.91Å; A316-F460 HydrophobicContact CB-CZ 4.16Å
317	S	89.9	Confident	87.5	Confident	12 Å²	12	48.8 Å²	48.8	8%	0.084	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.3	-112.6	-178.1	-171.6	0	0	0	0	110.6	T315 K330 G493 D494	T315-S317 PolarHBondContact O-N 3.31Å; T315-S317 WeakPolarHBondContact OG1-CA 3.38Å; T315-S317 PolarHBondContact OG1-N 3.37Å; S317-K330 VanDerWaalsContact CB-NZ 3.32Å; S317-K330 PolarHBondContact OG-NZ 3.36Å; S317-K330 VanDerWaalsContact OG-NZ 3.12Å; S317-G493 WeakPolarHBondContact O-CA 3.46Å; S317-G493 PolarHBondContact O-N 3.43Å; S317-D494 WeakPolarHBondContact CA-OD2 3.37Å; S317-D494 WeakPolarHBondContact CB-OD2 3.48Å; S317-D494 PolarHBondContact OG-OD2 2.8Å
318	H	89	Confident	87	Confident	23 Å²	23	41.7 Å²	41.7	11%	0.106	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.5	-8.3	178.8	66.2	-70.3	0	0	0	112.7	A316 H464 P465 D466 D492 R497	A316-H318 PolarHBondContact O-N 3.49Å; A316-H318 VanDerWaalsContact O-N 3.13Å; H318-H464 PolarHBondContact O-CE1 3.12Å; H318-H464 PolarHBondContact O-ND1 3.15Å; H318-P465 CarbonylContact O-C 3.58Å; H318-P465 WeakPolarHBondContact O-CD 3.13Å; H318-P465 WeakPolarHBondContact O-CG 3.28Å; H318-D466 HydrophobicContact CB-CB 3.85Å; H318-D466 IonicContact CD2-OD1 3.79Å; H318-D466 IonicContact CG-OD1 3.26Å; H318-D466 PolarHBondContact O-N 3.22Å; H318-D492 HydrophobicContact CB-CB 4.19Å; H318-R497 PolarHBondContact CD2-NH1 3.22Å; H318-R497 PolarHBondContact CE1-NH2 2.78Å; H318-R497 VanDerWaalsContact CG-CZ 3.43Å; H318-R497 PolarHBondContact ND1-NH2 3.14Å; H318-R497 PolarHBondContact NE2-NH1 3.39Å; H318-R497 PolarHBondContact NE2-NH2 2.77Å
319	N	85.6	Confident	86.6	Confident	28 Å²	28	45.7 Å²	45.7	15%	0.15	27%	0.267	C	S	.	.	S	Bend	trans	-78.6	157.5	179.3	-63.3	-18.1	0	0	0	111.2	A316 D326 F460 P465	A316-N319 WeakPolarHBondContact O-CB 3.23Å; A316-N319 PolarHBondContact O-N 2.91Å; N319-D326 HydrophobicContact CB-CB 4.26Å; N319-D326 VanDerWaalsContact CB-OD2 3.28Å; N319-D326 WeakPolarHBondContact CB-OD2 3.41Å; N319-D326 PolarHBondContact ND2-OD2 2.84Å; N319-F460 WeakPolarHBondContact O-CE2 3.4Å; N319-P465 WeakPolarHBondContact O-CD 3.42Å; N319-P465 VanDerWaalsContact O-CG 3.32Å; N319-P465 WeakPolarHBondContact O-CG 3.37Å
320	P	83.5	Confident	86.3	Confident	48 Å²	48	41.5 Å²	41.5	31%	0.312	24%	0.242	S	C	.	.			trans	-57.1	143	172.3	-23	34.4	0	0	0	112.2	A325 D326 H464	P320-A325 HydrophobicContact CB-CB 4.25Å; P320-A325 WeakPolarHBondContact O-CB 3.43Å; P320-D326 WeakPolarHBondContact O-CB 3.3Å; P320-D326 PolarHBondContact O-N 2.73Å; P320-H464 HydrophobicContact CG-CB 4.27Å
321	G	84.4	Confident	86.2	Confident	11 Å²	11	44.8 Å²	44.8	11%	0.113	25%	0.25	C	C	.	.	B	Isolated β-bridge	trans	-113.2	179.1	178.5	0	0	0	0	0	112.4	A325	G321-A325 WeakPolarHBondContact O-CB 3.33Å
322	G	76.3	Confident	86.2	Confident	8 Å²	8	44 Å²	44	8%	0.082	24%	0.241	C	C	.	.	S	Bend	trans	111.7	-179.8	177.8	0	0	0	0	0	113.7	N324 A325 E458	G322-N324 PolarHBondContact O-N 3.08Å; G322-N324 VanDerWaalsContact O-N 3.14Å; G322-A325 PolarHBondContact O-N 3.14Å; G322-A325 VanDerWaalsContact O-N 3.12Å; G322-E458 PolarHBondContact N-O 2.61Å
323	L	73.1	Confident	86.1	Confident	81 Å²	81	41.1 Å²	41.1	42%	0.424	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54	-36.3	-173	173.5	65	0	0	0	114.3	Y264	Y264-L323 HydrophobicContact CD2-CB 4.26Å; Y264-L323 HydrophobicContact CE1-CB 4.47Å; Y264-L323 HydrophobicContact CE1-CD1 3.77Å; Y264-L323 HydrophobicContact CE2-CB 4.12Å; Y264-L323 HydrophobicContact CE2-CD1 3.76Å; Y264-L323 WeakPolarHBondContact OH-CD1 3.45Å
324	N	69.6	Low	86.2	Confident	159 Å²	159	42 Å²	42	85%	0.85	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-109.8	16.2	-176.1	-58.6	-49.8	0	0	0	112.9	G322	G322-N324 PolarHBondContact O-N 3.08Å; G322-N324 VanDerWaalsContact O-N 3.14Å
325	A	75.3	Confident	86.2	Confident	43 Å²	43	44.5 Å²	44.5	36%	0.355	25%	0.254	S	S	.	.	S	Bend	trans	-134.5	-159.1	-177.6	0	0	0	0	0	110.3	P320 G321 G322	P320-A325 HydrophobicContact CB-CB 4.25Å; P320-A325 WeakPolarHBondContact O-CB 3.43Å; G321-A325 WeakPolarHBondContact O-CB 3.33Å; G322-A325 PolarHBondContact O-N 3.14Å; G322-A325 VanDerWaalsContact O-N 3.12Å
326	D	79.5	Confident	86.4	Confident	38 Å²	38	44.3 Å²	44.3	20%	0.203	25%	0.253	C	S	.	.	B	Isolated β-bridge	trans	-76.7	140.7	-165.6	-69.1	11.4	0	0	0	112.4	A316 N319 P320 S719	A316-D326 HydrophobicContact CB-CB 3.94Å; N319-D326 HydrophobicContact CB-CB 4.26Å; N319-D326 VanDerWaalsContact CB-OD2 3.28Å; N319-D326 WeakPolarHBondContact CB-OD2 3.41Å; N319-D326 PolarHBondContact ND2-OD2 2.84Å; P320-D326 WeakPolarHBondContact O-CB 3.3Å; P320-D326 PolarHBondContact O-N 2.73Å; D326-S719 WeakPolarHBondContact OD1-CB 3.35Å; D326-S719 PolarHBondContact OD1-OG 2.92Å
327	F	83.8	Confident	86.8	Confident	61 Å²	61	44.1 Å²	44.1	27%	0.268	25%	0.251	S	S	.	.			trans	-131.1	96.3	162.9	178.1	-97.8	0	0	0	108.1	Y264 F265 V266 L314 I329	Y264-F327 WeakPolarHBondContact O-CD2 3.36Å; Y264-F327 WeakPolarHBondContact O-CE2 3.32Å; F265-F327 HydrophobicContact CB-CD2 4.3Å; F265-F327 HydrophobicContact CB-CE2 4.21Å; F265-F327 HydrophobicContact CD1-CD1 4.22Å; F265-F327 AromaticContact CD1-CE1 3.92Å; F265-F327 HydrophobicContact CD1-CE1 3.92Å; F265-F327 HydrophobicContact CD1-CE2 4.49Å; F265-F327 HydrophobicContact CD1-CZ 4.06Å; V266-F327 HydrophobicContact CG2-CE2 3.78Å; L314-F327 HydrophobicContact CB-CE2 4.32Å; L314-F327 HydrophobicContact CB-CZ 4.15Å; L314-F327 HydrophobicContact CD1-CZ 4.26Å; L314-F327 HydrophobicContact CD2-CE1 4.49Å; L314-F327 HydrophobicContact CD2-CZ 4.13Å; L314-F327 HydrophobicContact CG-CZ 4.41Å; F327-I329 HydrophobicContact CE1-CD1 4.38Å; F327-I329 HydrophobicContact CE1-CG1 4.16Å
328	G	85.3	Confident	86.9	Confident	25 Å²	25	45.2 Å²	45.2	26%	0.258	26%	0.259	S	S	.	.			trans	-88.8	151.5	-176	0	0	0	0	0	113.2	L314 T315	L314-G328 CarbonylContact C-O 3.58Å; L314-G328 WeakPolarHBondContact CA-O 3.32Å; T315-G328 PolarHBondContact N-O 2.9Å; T315-G328 CarbonylContact O-C 3.5Å; T315-G328 WeakPolarHBondContact O-CA 3.48Å; T315-G328 PolarHBondContact O-N 2.83Å
329	I	89.6	Confident	87	Confident	117 Å²	117	45 Å²	45	60%	0.6	26%	0.261	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.9	120.4	171	-55	178.1	0	0	0	107.4	I312 L314 F327	I312-I329 HydrophobicContact CG2-CG2 3.77Å; L314-I329 HydrophobicContact CD2-CG1 3.97Å; L314-I329 HydrophobicContact CD2-CG2 4.28Å; F327-I329 HydrophobicContact CE1-CD1 4.38Å; F327-I329 HydrophobicContact CE1-CG1 4.16Å
330	K	91.1	Very high	87	Confident	65 Å²	65	46.5 Å²	46.5	28%	0.283	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	159.7	173.9	-51.5	173.1	179.2	175	0	109.6	L313 T315 S317 D494	L313-K330 HydrophobicContact CB-CB 4.2Å; L313-K330 PolarHBondContact N-O 2.89Å; L313-K330 PolarHBondContact O-N 3.11Å; T315-K330 HydrophobicContact CG2-CD 3.91Å; T315-K330 HydrophobicContact CG2-CG 4.48Å; S317-K330 VanDerWaalsContact CB-NZ 3.32Å; S317-K330 PolarHBondContact OG-NZ 3.36Å; S317-K330 VanDerWaalsContact OG-NZ 3.12Å; K330-D494 IonicContact NZ-OD2 3.49Å; K330-D494 PolarHBondContact NZ-OD2 3.1Å
331	Y	94.2	Very high	87	Confident	85 Å²	85	49 Å²	49	33%	0.333	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	128.6	174	-175.4	-94.1	0	0	0	110.8	G311 I312 A339 L343	G311-Y331 WeakPolarHBondContact O-CA 3.19Å; G311-Y331 WeakPolarHBondContact O-CD2 3.4Å; I312-Y331 HydrophobicContact CG1-CD2 4.25Å; Y331-A339 HydrophobicContact CD1-CB 4.08Å; Y331-A339 WeakPolarHBondContact O-CB 3.08Å; Y331-A339 PolarHBondContact O-N 3.01Å; Y331-L343 HydrophobicContact CD1-CD2 4.04Å; Y331-L343 HydrophobicContact CE1-CD2 3.78Å
332	N	96.1	Very high	87.1	Confident	2 Å²	2	57.4 Å²	57.4	1%	0.011	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	137.7	170.9	-73.6	31.4	0	0	0	109.9	I303 G310 G311 L313 G336 G337 E592	I303-N332 HydrophobicContact CD1-CB 3.84Å; G310-N332 CarbonylContact C-O 3.58Å; G310-N332 WeakPolarHBondContact CA-O 3.31Å; G311-N332 PolarHBondContact N-O 3.13Å; G311-N332 PolarHBondContact O-N 2.92Å; L313-N332 HydrophobicContact CD1-CB 3.9Å; N332-G336 PolarHBondContact ND2-O 3.21Å; N332-G337 CarbonylContact C-O 3.33Å; N332-G337 WeakPolarHBondContact CA-O 3.49Å; N332-G337 VanDerWaalsContact CB-O 3.31Å; N332-G337 WeakPolarHBondContact CB-O 3.23Å; N332-E592 PolarHBondContact ND2-OE1 3.16Å
333	C	95.4	Very high	87.7	Confident	23 Å²	23	59.8 Å²	59.8	16%	0.155	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	171.2	177.9	-67.9	0	0	0	0	111.7	I303 N335 G336 G337 L343	I303-C333 WeakPolarHBondContact CG2-O 3.45Å; C333-N335 PolarHBondContact O-N 3.18Å; C333-G336 WeakPolarHBondContact O-CA 3.38Å; C333-G336 PolarHBondContact O-N 2.91Å; C333-G337 PolarHBondContact N-O 3.47Å; C333-L343 WeakPolarHBondContact SG-CD2 2.9Å
334	G	95.3	Very high	88.5	Confident	32 Å²	32	58.8 Å²	58.8	33%	0.33	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-15	179	0	0	0	0	0	115.7	L308 N309 G336	L308-G334 VanDerWaalsContact O-CA 3.24Å; L308-G334 WeakPolarHBondContact O-CA 3.46Å; N309-G334 WeakPolarHBondContact O-CA 3.24Å; N309-G334 PolarHBondContact O-N 3.4Å; G334-G336 PolarHBondContact O-N 3.13Å
335	N	93.8	Very high	89.4	Confident	62 Å²	62	55.9 Å²	55.9	33%	0.332	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	2.3	168.3	73.7	-20.4	0	0	0	113.1	R304 C333 G337 D571 R591	R304-N335 WeakPolarHBondContact CD-O 3.36Å; R304-N335 WeakPolarHBondContact CG-O 3.47Å; C333-N335 PolarHBondContact O-N 3.18Å; N335-G337 VanDerWaalsContact C-N 3.26Å; N335-G337 PolarHBondContact O-N 2.94Å; N335-G337 PolarHBondContact OD1-N 2.97Å; N335-G337 VanDerWaalsContact OD1-N 3.07Å; N335-D571 PolarHBondContact ND2-OD2 3.43Å; N335-R591 WeakPolarHBondContact O-CG 3.38Å
336	G	96.3	Very high	90.4	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	31%	0.311	C	S	.	.	S	Bend	trans	80	-4.5	-177.5	0	0	0	0	0	114.8	S300 N332 C333 G334	S300-G336 WeakPolarHBondContact CA-O 3.44Å; S300-G336 VanDerWaalsContact CB-O 3.24Å; S300-G336 WeakPolarHBondContact CB-O 3.4Å; S300-G336 PolarHBondContact OG-O 3.08Å; N332-G336 PolarHBondContact ND2-O 3.21Å; C333-G336 WeakPolarHBondContact O-CA 3.38Å; C333-G336 PolarHBondContact O-N 2.91Å; G334-G336 PolarHBondContact O-N 3.13Å
337	G	95	Very high	91	Very high	3 Å²	3	59 Å²	59	3%	0.031	32%	0.323	C	S	.	.	S	Bend	trans	-94.1	167.8	-177.2	0	0	0	0	0	113.9	N332 C333 N335 R591	N332-G337 CarbonylContact C-O 3.33Å; N332-G337 WeakPolarHBondContact CA-O 3.49Å; N332-G337 VanDerWaalsContact CB-O 3.31Å; N332-G337 WeakPolarHBondContact CB-O 3.23Å; C333-G337 PolarHBondContact N-O 3.47Å; N335-G337 VanDerWaalsContact C-N 3.26Å; N335-G337 PolarHBondContact O-N 2.94Å; N335-G337 PolarHBondContact OD1-N 2.97Å; N335-G337 VanDerWaalsContact OD1-N 3.07Å; G337-R591 VanDerWaalsContact CA-CB 3.46Å; G337-R591 WeakPolarHBondContact CA-O 3.46Å
338	P	93.4	Very high	91.3	Very high	36 Å²	36	62 Å²	62	23%	0.234	34%	0.336	C	S	.	.	B	Isolated β-bridge	trans	-62.2	149.4	178.9	27.2	-36.2	0	0	0	112	W563 K564 R591	P338-W563 HydrophobicContact CG-CB 4.19Å; P338-K564 HydrophobicContact CG-CB 4.27Å; P338-R591 WeakPolarHBondContact CD-O 3.49Å
339	A	90.1	Very high	91.7	Very high	18 Å²	18	62.4 Å²	62.4	15%	0.149	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-57.8	129.4	177.9	0	0	0	0	0	112.4	Y331 L343 T344	Y331-A339 HydrophobicContact CD1-CB 4.08Å; Y331-A339 WeakPolarHBondContact O-CB 3.08Å; Y331-A339 PolarHBondContact O-N 3.01Å; A339-L343 HydrophobicContact CB-CD2 4.17Å; A339-T344 HydrophobicContact CB-CG2 3.67Å
340	P	85.4	Confident	91.8	Very high	59 Å²	59	61.8 Å²	61.8	38%	0.383	33%	0.332	S	S	.	.	P	Polyproline II helix	trans	-70.6	155.6	170.1	30.3	-34	0	0	0	110.8	K342 L343 T344	P340-K342 PolarHBondContact O-N 3.42Å; P340-L343 HydrophobicContact CG-CB 4.11Å; P340-L343 WeakPolarHBondContact O-CB 3.49Å; P340-L343 PolarHBondContact O-N 2.94Å; P340-T344 PolarHBondContact O-N 3.11Å
341	E	83.3	Confident	91.7	Very high	102 Å²	102	61.5 Å²	61.5	48%	0.477	34%	0.338	S	S	.	.	H	α-helix	trans	-53	-42.1	-179.6	-87	163.5	-153.7	0	0	112.6	L343 T344 D345 K564	E341-L343 PolarHBondContact O-N 3.11Å; E341-L343 VanDerWaalsContact O-N 3.08Å; E341-T344 WeakPolarHBondContact CA-OG1 3.05Å; E341-T344 PolarHBondContact O-N 3.4Å; E341-T344 VanDerWaalsContact O-N 3.09Å; E341-T344 PolarHBondContact O-OG1 2.92Å; E341-D345 WeakPolarHBondContact O-CB 3.42Å; E341-D345 PolarHBondContact O-N 2.89Å; E341-K564 VanDerWaalsContact CG-NZ 3.31Å; E341-K564 IonicContact OE1-NZ 3.57Å; E341-K564 PolarHBondContact OE1-NZ 3.09Å; E341-K564 IonicContact OE2-NZ 3.67Å
342	K	87.2	Confident	91.4	Very high	186 Å²	186	63.7 Å²	63.7	81%	0.809	35%	0.351	S	S	*	.	H	α-helix	trans	-52	-36.7	175.8	-174.8	-178.4	-178.7	-177.7	0	113.2	P340 A346	P340-K342 PolarHBondContact O-N 3.42Å; K342-A346 WeakPolarHBondContact O-CB 2.96Å; K342-A346 PolarHBondContact O-N 3.48Å
343	L	89.8	Confident	91.1	Very high	59 Å²	59	70.3 Å²	70.3	31%	0.309	38%	0.38	S	S	.	.	H	α-helix	trans	-79.1	-46.1	178	178.3	61.3	0	0	0	111.1	Y331 C333 A339 P340 E341 D345 A346 I347	Y331-L343 HydrophobicContact CD1-CD2 4.04Å; Y331-L343 HydrophobicContact CE1-CD2 3.78Å; C333-L343 WeakPolarHBondContact SG-CD2 2.9Å; A339-L343 HydrophobicContact CB-CD2 4.17Å; P340-L343 HydrophobicContact CG-CB 4.11Å; P340-L343 WeakPolarHBondContact O-CB 3.49Å; P340-L343 PolarHBondContact O-N 2.94Å; E341-L343 PolarHBondContact O-N 3.11Å; E341-L343 VanDerWaalsContact O-N 3.08Å; L343-D345 VanDerWaalsContact C-N 3.31Å; L343-D345 PolarHBondContact O-N 3.05Å; L343-A346 WeakPolarHBondContact O-CB 3.2Å; L343-A346 PolarHBondContact O-N 3.15Å; L343-I347 HydrophobicContact CD1-CD1 4.18Å; L343-I347 HydrophobicContact CD1-CG1 4.35Å; L343-I347 HydrophobicContact CG-CD1 3.95Å; L343-I347 WeakPolarHBondContact O-CG1 3.24Å; L343-I347 PolarHBondContact O-N 3.01Å
344	T	88.7	Confident	90.8	Very high	59 Å²	59	73.4 Å²	73.4	36%	0.362	39%	0.394	S	S	.	.	H	α-helix	trans	-63.5	-38.4	-179.2	53.9	0	0	0	0	111.9	A339 P340 E341 A346 I347 F348	A339-T344 HydrophobicContact CB-CG2 3.67Å; P340-T344 PolarHBondContact O-N 3.11Å; E341-T344 WeakPolarHBondContact CA-OG1 3.05Å; E341-T344 PolarHBondContact O-N 3.4Å; E341-T344 VanDerWaalsContact O-N 3.09Å; E341-T344 PolarHBondContact O-OG1 2.92Å; T344-A346 VanDerWaalsContact C-N 3.34Å; T344-A346 PolarHBondContact O-N 3.22Å; T344-I347 PolarHBondContact O-N 2.67Å; T344-F348 WeakPolarHBondContact O-CB 3.26Å; T344-F348 PolarHBondContact O-N 3.49Å
345	D	89.9	Confident	90.5	Very high	98 Å²	98	77.2 Å²	77.2	52%	0.524	41%	0.411	S	S	.	.	H	α-helix	trans	-65.4	-38.7	175.8	-65.5	-11.9	0	0	0	111.3	E341 L343 F348 A349	E341-D345 WeakPolarHBondContact O-CB 3.42Å; E341-D345 PolarHBondContact O-N 2.89Å; L343-D345 VanDerWaalsContact C-N 3.31Å; L343-D345 PolarHBondContact O-N 3.05Å; D345-F348 PolarHBondContact O-N 3.33Å; D345-A349 VanDerWaalsContact O-CB 3.29Å; D345-A349 WeakPolarHBondContact O-CB 3.37Å; D345-A349 PolarHBondContact O-N 3.17Å
346	A	94.9	Very high	90.3	Very high	58 Å²	58	76.5 Å²	76.5	48%	0.479	41%	0.411	S	S	.	.	H	α-helix	trans	-66.8	-39.9	175.4	0	0	0	0	0	111.9	K342 L343 T344 Q350	K342-A346 WeakPolarHBondContact O-CB 2.96Å; K342-A346 PolarHBondContact O-N 3.48Å; L343-A346 WeakPolarHBondContact O-CB 3.2Å; L343-A346 PolarHBondContact O-N 3.15Å; T344-A346 VanDerWaalsContact C-N 3.34Å; T344-A346 PolarHBondContact O-N 3.22Å; A346-Q350 WeakPolarHBondContact O-CB 3.49Å; A346-Q350 PolarHBondContact O-N 2.95Å
347	I	92.3	Very high	90.1	Very high	89 Å²	89	81 Å²	81	46%	0.456	43%	0.429	S	S	.	.	H	α-helix	trans	-63.2	-46.9	173.8	-68.3	166.8	0	0	0	110	L343 T344 Q350 S351	L343-I347 HydrophobicContact CD1-CD1 4.18Å; L343-I347 HydrophobicContact CD1-CG1 4.35Å; L343-I347 HydrophobicContact CG-CD1 3.95Å; L343-I347 WeakPolarHBondContact O-CG1 3.24Å; L343-I347 PolarHBondContact O-N 3.01Å; T344-I347 PolarHBondContact O-N 2.67Å; I347-Q350 PolarHBondContact O-N 2.95Å; I347-S351 PolarHBondContact O-N 3.47Å
348	F	89.4	Confident	90	Very high	123 Å²	123	85.2 Å²	85.2	54%	0.539	45%	0.446	S	S	.	.	H	α-helix	trans	-59.4	-52.9	178.2	178.6	-101.9	0	0	0	111.4	T344 D345 Q350 S351 E352	T344-F348 WeakPolarHBondContact O-CB 3.26Å; T344-F348 PolarHBondContact O-N 3.49Å; D345-F348 PolarHBondContact O-N 3.33Å; F348-Q350 PolarHBondContact O-N 2.91Å; F348-S351 WeakPolarHBondContact O-CA 3.23Å; F348-S351 WeakPolarHBondContact O-CB 3.5Å; F348-S351 PolarHBondContact O-N 3.27Å; F348-S351 PolarHBondContact O-OG 3.14Å; F348-E352 HydrophobicContact CE1-CG 4.14Å; F348-E352 WeakPolarHBondContact CE1-OE1 3.3Å; F348-E352 HydrophobicContact CZ-CG 4.16Å; F348-E352 WeakPolarHBondContact CZ-OE1 3.37Å; F348-E352 PolarHBondContact O-N 3.12Å; F348-E352 VanDerWaalsContact O-N 3.1Å
349	A	94.4	Very high	90	Very high	34 Å²	34	84 Å²	84	28%	0.281	44%	0.439	S	S	.	.	H	α-helix	trans	-61.8	-26.4	178.3	0	0	0	0	0	113.4	D345 K353	D345-A349 VanDerWaalsContact O-CB 3.29Å; D345-A349 WeakPolarHBondContact O-CB 3.37Å; D345-A349 PolarHBondContact O-N 3.17Å; A349-K353 WeakPolarHBondContact O-CD 3.13Å; A349-K353 VanDerWaalsContact O-CE 3.24Å; A349-K353 WeakPolarHBondContact O-CE 3.29Å; A349-K353 WeakPolarHBondContact O-CG 3.08Å
350	Q	92.3	Very high	90.1	Very high	105 Å²	105	83.6 Å²	83.6	49%	0.491	43%	0.434	S	S	.	.	H	α-helix	trans	-77.1	-38.4	172.1	-174.8	56.9	34.9	0	0	111.6	A346 I347 F348 E352 K353	A346-Q350 WeakPolarHBondContact O-CB 3.49Å; A346-Q350 PolarHBondContact O-N 2.95Å; I347-Q350 PolarHBondContact O-N 2.95Å; F348-Q350 PolarHBondContact O-N 2.91Å; Q350-E352 VanDerWaalsContact C-N 3.3Å; Q350-E352 PolarHBondContact O-N 3.33Å; Q350-K353 PolarHBondContact O-N 2.92Å; Q350-K353 VanDerWaalsContact O-N 3.12Å
351	S	88.3	Confident	90	Very high	58 Å²	58	86.5 Å²	86.5	41%	0.406	44%	0.441	S	S	.	.	H	α-helix	trans	-61.8	-36.5	178	78	0	0	0	0	112.5	I347 F348 K353 L354	I347-S351 PolarHBondContact O-N 3.47Å; F348-S351 WeakPolarHBondContact O-CA 3.23Å; F348-S351 WeakPolarHBondContact O-CB 3.5Å; F348-S351 PolarHBondContact O-N 3.27Å; F348-S351 PolarHBondContact O-OG 3.14Å; S351-K353 PolarHBondContact O-N 2.95Å; S351-K353 VanDerWaalsContact O-N 3.15Å; S351-L354 PolarHBondContact O-N 3.33Å
352	E	88.7	Confident	90	Very high	132 Å²	132	84.9 Å²	84.9	62%	0.617	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-19.8	176	-66.7	-177.4	128.2	0	0	113.5	F348 Q350	F348-E352 HydrophobicContact CE1-CG 4.14Å; F348-E352 WeakPolarHBondContact CE1-OE1 3.3Å; F348-E352 HydrophobicContact CZ-CG 4.16Å; F348-E352 WeakPolarHBondContact CZ-OE1 3.37Å; F348-E352 PolarHBondContact O-N 3.12Å; F348-E352 VanDerWaalsContact O-N 3.1Å; Q350-E352 VanDerWaalsContact C-N 3.3Å; Q350-E352 PolarHBondContact O-N 3.33Å
353	K	90	Very high	89.9	Confident	141 Å²	141	81.9 Å²	81.9	61%	0.613	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.2	-7	-177.4	-61	169.5	-170.1	163.5	0	113.2	A349 Q350 S351 T355	A349-K353 WeakPolarHBondContact O-CD 3.13Å; A349-K353 VanDerWaalsContact O-CE 3.24Å; A349-K353 WeakPolarHBondContact O-CE 3.29Å; A349-K353 WeakPolarHBondContact O-CG 3.08Å; Q350-K353 PolarHBondContact O-N 2.92Å; Q350-K353 VanDerWaalsContact O-N 3.12Å; S351-K353 PolarHBondContact O-N 2.95Å; S351-K353 VanDerWaalsContact O-N 3.15Å; K353-T355 PolarHBondContact O-N 3.05Å
354	L	87.4	Confident	89.8	Confident	87 Å²	87	79.6 Å²	79.6	46%	0.455	42%	0.421	S	S	.	.			trans	-71.8	120.9	-176.2	-68.3	175.5	0	0	0	110.7	S351	S351-L354 PolarHBondContact O-N 3.33Å
355	T	89.1	Confident	89.5	Confident	113 Å²	113	81.1 Å²	81.1	69%	0.693	43%	0.426	S	S	*	.	S	Bend	trans	-102.7	-11.5	170.8	57.7	0	0	0	0	112.7	V25 K353	V25-T355 PolarHBondContact N-O 3.36Å; K353-T355 PolarHBondContact O-N 3.05Å
356	S	91.1	Very high	89.4	Confident	47 Å²	47	77 Å²	77	33%	0.329	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	160.9	176.3	56.3	0	0	0	0	110.5	Y23	Y23-S356 CarbonylContact O-C 3.57Å; Y23-S356 WeakPolarHBondContact O-CA 3.46Å; Y23-S356 WeakPolarHBondContact O-CB 3.01Å
357	Y	90.7	Very high	89	Confident	93 Å²	93	78.6 Å²	78.6	37%	0.365	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	147.8	171.3	68.3	-86.9	0	0	0	111.7	N22 Y23 V25 I277	N22-Y357 CarbonylContact C-O 3.59Å; N22-Y357 WeakPolarHBondContact CA-O 3.43Å; Y23-Y357 VanDerWaalsContact CB-CZ 3.41Å; Y23-Y357 AromaticContact CD2-CE2 3.84Å; Y23-Y357 HydrophobicContact CD2-CE2 3.84Å; Y23-Y357 AromaticContact CD2-CZ 3.85Å; Y23-Y357 HydrophobicContact CG-CE1 4.19Å; Y23-Y357 HydrophobicContact CG-CE2 4.17Å; Y23-Y357 AromaticContact CG-CZ 3.73Å; Y23-Y357 PolarHBondContact N-O 2.96Å; Y23-Y357 PolarHBondContact O-N 3.38Å; V25-Y357 HydrophobicContact CG2-CD1 3.94Å; I277-Y357 HydrophobicContact CD1-CD2 4.31Å; I277-Y357 HydrophobicContact CG1-CD2 4.49Å
358	K	93.7	Very high	88.8	Confident	92 Å²	92	74.4 Å²	74.4	40%	0.4	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	137.9	178.8	-75.8	171.2	-176.4	-179.7	0	111.1	V20 F21 N22 A280 N281	V20-K358 HydrophobicContact CG1-CG 4.45Å; F21-K358 CarbonylContact O-C 3.57Å; F21-K358 WeakPolarHBondContact O-CA 3.29Å; N22-K358 WeakPolarHBondContact OD1-CG 3.45Å; A280-K358 HydrophobicContact CB-CB 3.89Å; N281-K358 PolarHBondContact ND2-O 2.87Å
359	T	94.3	Very high	88.6	Confident	12 Å²	12	70.7 Å²	70.7	7%	0.074	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	174.8	169.9	-166.5	0	0	0	0	111	F21 Y23 P276 A280	F21-T359 PolarHBondContact N-O 3.13Å; F21-T359 PolarHBondContact O-N 3.42Å; Y23-T359 HydrophobicContact CD2-CG2 3.54Å; Y23-T359 HydrophobicContact CE2-CG2 3.47Å; Y23-T359 VanDerWaalsContact CE2-CG2 3.47Å; P276-T359 VanDerWaalsContact CB-OG1 3.29Å; P276-T359 WeakPolarHBondContact CB-OG1 3.31Å; A280-T359 VanDerWaalsContact CB-C 3.45Å; A280-T359 VanDerWaalsContact CB-CA 3.49Å
360	V	92	Very high	88.3	Confident	9 Å²	9	75.8 Å²	75.8	6%	0.055	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	132.2	169.3	178.6	0	0	0	0	108.8	Y18 E19 P276 L279 A280 L364 L378	Y18-V360 HydrophobicContact CD1-CG1 3.99Å; Y18-V360 HydrophobicContact CG-CG1 4.3Å; E19-V360 WeakPolarHBondContact O-CA 3.46Å; P276-V360 HydrophobicContact CB-CB 4.09Å; L279-V360 HydrophobicContact CB-CG2 4.19Å; A280-V360 HydrophobicContact CB-CG2 4.35Å; V360-L364 HydrophobicContact CB-CD2 4.39Å; V360-L364 HydrophobicContact CG1-CD2 3.9Å; V360-L378 HydrophobicContact CG2-CD2 3.95Å
361	K	82.6	Confident	88.3	Confident	120 Å²	120	75.1 Å²	75.1	52%	0.522	38%	0.377	S	S	.	.	S	Bend	trans	-77.3	-39.4	-174.7	-174.7	177.8	175.2	-175.4	0	112.9	E19 F21	E19-K361 PolarHBondContact O-N 3.3Å; E19-K361 VanDerWaalsContact O-N 3.16Å; E19-K361 IonicContact OE2-NZ 3.03Å; F21-K361 HydrophobicContact CB-CB 4.21Å
362	E	83.8	Confident	88.7	Confident	68 Å²	68	74.1 Å²	74.1	32%	0.318	38%	0.376	S	S	.	.	S	Bend	trans	-81.7	143.8	179.7	-55.1	83.5	177.4	0	0	111.3	Y18 E19 L364	Y18-E362 HydrophobicContact CD1-CB 4.26Å; E19-E362 WeakPolarHBondContact CB-OE1 3.2Å; E19-E362 PolarHBondContact N-OE1 3.12Å; E19-E362 PolarHBondContact N-OE2 3.03Å; E362-L364 PolarHBondContact O-N 3.04Å
363	P	84.4	Confident	89	Confident	122 Å²	122	71.8 Å²	71.8	79%	0.792	37%	0.374	S	S	*	.	P	Polyproline II helix	trans	-55.2	125.1	170.1	-24.7	33.9	0	0	0	111.1	N365	P363-N365 PolarHBondContact O-N 2.97Å
364	L	87.3	Confident	89.3	Confident	12 Å²	12	68.6 Å²	68.6	6%	0.063	36%	0.36	C	S	.	.	P	Polyproline II helix	trans	-76.3	120.5	172.6	-60.7	179.1	0	0	0	108.3	Y18 I275 P276 L279 V360 E362 I366 Y376	Y18-L364 HydrophobicContact CD1-CD2 3.46Å; Y18-L364 VanDerWaalsContact CD1-CD2 3.46Å; Y18-L364 HydrophobicContact CE1-CD2 3.48Å; Y18-L364 VanDerWaalsContact CE1-CD2 3.48Å; Y18-L364 HydrophobicContact CG-CD2 4.05Å; I275-L364 HydrophobicContact CB-CD1 4.48Å; I275-L364 HydrophobicContact CG2-CD1 3.78Å; P276-L364 HydrophobicContact CB-CD1 4.32Å; P276-L364 HydrophobicContact CG-CD1 3.75Å; P276-L364 HydrophobicContact CG-CG 4.25Å; L279-L364 HydrophobicContact CD2-CD1 3.85Å; L279-L364 HydrophobicContact CD2-CD2 4.26Å; V360-L364 HydrophobicContact CB-CD2 4.39Å; V360-L364 HydrophobicContact CG1-CD2 3.9Å; E362-L364 PolarHBondContact O-N 3.04Å; L364-I366 HydrophobicContact CB-CD1 3.51Å; L364-I366 HydrophobicContact CB-CG1 3.68Å; L364-I366 HydrophobicContact CD1-CD1 3.9Å; L364-I366 HydrophobicContact CG-CD1 4.36Å; L364-I366 PolarHBondContact O-N 2.85Å; L364-Y376 HydrophobicContact CB-CE1 4.41Å; L364-Y376 HydrophobicContact CD2-CD1 4.11Å; L364-Y376 HydrophobicContact CD2-CE1 4.27Å
365	N	83.9	Confident	89.7	Confident	90 Å²	90	70.8 Å²	70.8	48%	0.481	37%	0.366	S	S	.	.			trans	-73.9	77.1	173.5	-179.3	8.9	0	0	0	110.2	P363 K374 Y376	P363-N365 PolarHBondContact O-N 2.97Å; N365-K374 PolarHBondContact O-NZ 3.46Å; N365-Y376 PolarHBondContact O-OH 3.05Å
366	I	87.2	Confident	90	Very high	13 Å²	13	65.6 Å²	65.6	7%	0.067	33%	0.334	C	S	.	.			trans	-96.1	121.7	179.7	-60.3	157.5	0	0	0	108.2	E271 I275 L364 L368 Y376 I388	E271-I366 HydrophobicContact CG-CB 4.47Å; I275-I366 HydrophobicContact CB-CD1 3.94Å; I275-I366 HydrophobicContact CD1-CD1 3.77Å; I275-I366 HydrophobicContact CD1-CG2 4.37Å; I275-I366 HydrophobicContact CG1-CD1 4.46Å; I275-I366 HydrophobicContact CG2-CD1 3.62Å; L364-I366 HydrophobicContact CB-CD1 3.51Å; L364-I366 HydrophobicContact CB-CG1 3.68Å; L364-I366 HydrophobicContact CD1-CD1 3.9Å; L364-I366 HydrophobicContact CG-CD1 4.36Å; L364-I366 PolarHBondContact O-N 2.85Å; I366-L368 HydrophobicContact CG2-CD2 3.66Å; I366-L368 HydrophobicContact CG2-CG 4.02Å; I366-L368 PolarHBondContact O-N 3.44Å; I366-Y376 WeakPolarHBondContact CG1-OH 3.45Å; I366-I388 HydrophobicContact CG2-CD1 4.4Å
367	Q	86.3	Confident	90.1	Very high	90 Å²	90	66.3 Å²	66.3	42%	0.421	34%	0.336	S	S	.	.			trans	-96.1	80.2	176.9	-65.6	-177.6	-7.1	0	0	109.5	N369 R370	Q367-N369 PolarHBondContact O-N 2.93Å; Q367-N369 VanDerWaalsContact O-N 3.14Å; Q367-R370 HydrophobicContact CB-CB 4.05Å; Q367-R370 PolarHBondContact O-N 3.17Å
368	L	88.6	Confident	90.2	Very high	1 Å²	1	62 Å²	62	1%	0.005	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-26.5	-177	-69.9	-177.6	0	0	0	113.5	R267 L270 E271 V288 Q290 N291 I366 R370 I388	R267-L368 HydrophobicContact CB-CD1 4.47Å; R267-L368 HydrophobicContact CG-CD1 4.14Å; L270-L368 HydrophobicContact CB-CD1 4.28Å; L270-L368 HydrophobicContact CD1-CD1 4.09Å; E271-L368 HydrophobicContact CG-CD1 3.84Å; E271-L368 HydrophobicContact CG-CG 4.17Å; E271-L368 WeakPolarHBondContact OE1-CD1 3.5Å; V288-L368 HydrophobicContact CG1-CD2 3.86Å; Q290-L368 CarbonylContact C-O 3.43Å; Q290-L368 WeakPolarHBondContact CA-O 3.41Å; N291-L368 PolarHBondContact N-O 2.82Å; I366-L368 HydrophobicContact CG2-CD2 3.66Å; I366-L368 HydrophobicContact CG2-CG 4.02Å; I366-L368 PolarHBondContact O-N 3.44Å; L368-R370 VanDerWaalsContact C-N 3.3Å; L368-R370 PolarHBondContact O-N 3.29Å; L368-I388 HydrophobicContact CD2-CD1 3.93Å; L368-I388 WeakPolarHBondContact O-CG2 3.41Å
369	N	85.3	Confident	90	Very high	46 Å²	46	61.2 Å²	61.2	25%	0.246	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-11.2	178.6	63.9	-31.9	0	0	0	114.1	Q290 N291 Q367	Q290-N369 PolarHBondContact NE2-O 3.26Å; N291-N369 WeakPolarHBondContact OD1-CA 3.41Å; N291-N369 VanDerWaalsContact OD1-CB 3.31Å; N291-N369 WeakPolarHBondContact OD1-CB 3.36Å; Q367-N369 PolarHBondContact O-N 2.93Å; Q367-N369 VanDerWaalsContact O-N 3.14Å
370	R	86.8	Confident	89.7	Confident	140 Å²	140	65 Å²	65	53%	0.528	35%	0.346	S	S	.	.	S	Bend	trans	-114.4	115	-172.2	-174.1	-179.5	178.4	-179.5	1.7	111.5	Q367 L368 G372 I388	Q367-R370 HydrophobicContact CB-CB 4.05Å; Q367-R370 PolarHBondContact O-N 3.17Å; L368-R370 VanDerWaalsContact C-N 3.3Å; L368-R370 PolarHBondContact O-N 3.29Å; R370-G372 PolarHBondContact O-N 3.26Å; R370-I388 VanDerWaalsContact O-CB 3.22Å; R370-I388 WeakPolarHBondContact O-CB 3.32Å; R370-I388 WeakPolarHBondContact O-CG2 3.35Å
371	I	93.6	Very high	89.6	Confident	91 Å²	91	67.2 Å²	67.2	47%	0.467	37%	0.37	S	S	.	.			trans	-60	134.1	172.4	-63.2	172.9	0	0	0	110.2	I388	I371-I388 WeakPolarHBondContact CA-O 3.41Å
372	G	94.8	Very high	90	Very high	37 Å²	37	63.8 Å²	63.8	38%	0.381	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	144.5	173.1	179	0	0	0	0	0	113	R370 I388	R370-G372 PolarHBondContact O-N 3.26Å; G372-I388 PolarHBondContact N-O 3.07Å; G372-I388 PolarHBondContact O-N 2.95Å
373	S	96.8	Very high	90.5	Very high	83 Å²	83	63.2 Å²	63.2	58%	0.58	36%	0.357	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.5	140.5	-179.8	-55.2	0	0	0	0	111.7	V386 T387	S373-V386 CarbonylContact C-O 3.57Å; S373-V386 WeakPolarHBondContact CA-O 3.12Å; S373-T387 WeakPolarHBondContact OG-CG2 3.4Å; S373-T387 PolarHBondContact OG-OG1 2.65Å
374	K	95.8	Very high	91.1	Very high	74 Å²	74	57.4 Å²	57.4	32%	0.322	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	132.5	172.2	-177.7	170.3	166.4	-170.2	0	110.1	N365 Y376 V386	N365-K374 PolarHBondContact O-NZ 3.46Å; K374-Y376 HydrophobicContact CB-CE2 3.99Å; K374-Y376 HydrophobicContact CD-CE1 4.32Å; K374-Y376 HydrophobicContact CD-CE2 4.19Å; K374-Y376 WeakPolarHBondContact CD-OH 3.42Å; K374-Y376 HydrophobicContact CG-CD2 4.48Å; K374-Y376 HydrophobicContact CG-CE2 3.85Å; K374-Y376 WeakPolarHBondContact O-CD2 3.29Å; K374-V386 PolarHBondContact N-O 2.89Å; K374-V386 PolarHBondContact O-N 3.18Å
375	K	95.7	Very high	91.5	Very high	133 Å²	133	59.9 Å²	59.9	58%	0.578	33%	0.332	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.2	134.7	175.3	-175.3	176.7	-179.4	176	0	110.2	T383 S384	K375-T383 VanDerWaalsContact CE-CB 3.42Å; K375-S384 WeakPolarHBondContact CA-O 3.12Å
376	Y	94.5	Very high	92.2	Very high	5 Å²	5	55.8 Å²	55.8	2%	0.02	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	135.7	174.3	-64	-94.1	0	0	0	109.3	Y18 L279 L364 N365 I366 K374 T383 S384 V386	Y18-Y376 HydrophobicContact CD2-CD1 4.26Å; Y18-Y376 AromaticContact CE2-CD1 3.63Å; Y18-Y376 HydrophobicContact CE2-CD1 3.63Å; Y18-Y376 HydrophobicContact CE2-CE1 4.32Å; Y18-Y376 AromaticContact CZ-CD1 3.82Å; L279-Y376 HydrophobicContact CD2-CD1 4.36Å; L279-Y376 HydrophobicContact CD2-CD2 4.26Å; L279-Y376 HydrophobicContact CD2-CG 3.85Å; L364-Y376 HydrophobicContact CB-CE1 4.41Å; L364-Y376 HydrophobicContact CD2-CD1 4.11Å; L364-Y376 HydrophobicContact CD2-CE1 4.27Å; N365-Y376 PolarHBondContact O-OH 3.05Å; I366-Y376 WeakPolarHBondContact CG1-OH 3.45Å; K374-Y376 HydrophobicContact CB-CE2 3.99Å; K374-Y376 HydrophobicContact CD-CE1 4.32Å; K374-Y376 HydrophobicContact CD-CE2 4.19Å; K374-Y376 WeakPolarHBondContact CD-OH 3.42Å; K374-Y376 HydrophobicContact CG-CD2 4.48Å; K374-Y376 HydrophobicContact CG-CE2 3.85Å; K374-Y376 WeakPolarHBondContact O-CD2 3.29Å; Y376-T383 CarbonylContact O-C 3.54Å; Y376-T383 VanDerWaalsContact O-CA 3.25Å; Y376-T383 WeakPolarHBondContact O-CA 3.25Å; Y376-S384 PolarHBondContact N-O 3.46Å; Y376-S384 PolarHBondContact O-N 3.17Å; Y376-V386 HydrophobicContact CD2-CB 4.34Å; Y376-V386 HydrophobicContact CD2-CG2 3.8Å; Y376-V386 HydrophobicContact CE2-CB 3.86Å; Y376-V386 HydrophobicContact CE2-CG2 3.65Å
377	T	94	Very high	92.7	Very high	61 Å²	61	56.1 Å²	56.1	37%	0.374	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	120.5	176.9	-57.2	0	0	0	0	108.6	Y18 T383	Y18-T377 PolarHBondContact N-O 3Å; T377-T383 HydrophobicContact CG2-CG2 4.02Å
378	L	91.8	Very high	93.2	Very high	3 Å²	3	52.3 Å²	52.3	2%	0.016	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	162	-180	-53.1	-175.5	0	0	0	111	Y18 V20 L279 V360 N380 G381 Q382	Y18-L378 CarbonylContact O-C 3.6Å; Y18-L378 WeakPolarHBondContact O-CA 3.07Å; V20-L378 HydrophobicContact CG2-CB 4.09Å; V20-L378 HydrophobicContact CG2-CD1 3.7Å; V20-L378 HydrophobicContact CG2-CG 4.42Å; L279-L378 HydrophobicContact CB-CD1 4.31Å; L279-L378 HydrophobicContact CB-CD2 4.48Å; L279-L378 HydrophobicContact CD2-CD2 4.46Å; L279-L378 VanDerWaalsContact O-CD1 3.29Å; L279-L378 WeakPolarHBondContact O-CD1 3.24Å; V360-L378 HydrophobicContact CG2-CD2 3.95Å; L378-N380 WeakPolarHBondContact CB-OD1 3.48Å; L378-N380 PolarHBondContact O-N 3.19Å; L378-N380 VanDerWaalsContact O-N 3.15Å; L378-G381 PolarHBondContact O-N 3.38Å; L378-Q382 PolarHBondContact N-O 3.03Å
379	S	89.3	Confident	93.6	Very high	75 Å²	75	53.2 Å²	53.2	52%	0.524	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-24.3	-178.8	62.3	0	0	0	0	114	Y18 G381	Y18-S379 PolarHBondContact O-N 3.3Å; S379-G381 PolarHBondContact O-N 3.35Å
380	N	88.7	Confident	94.2	Very high	93 Å²	93	52.5 Å²	52.5	50%	0.497	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	3.7	174.2	68.6	0.4	0	0	0	113.7	L378 Q382	L378-N380 WeakPolarHBondContact CB-OD1 3.48Å; L378-N380 PolarHBondContact O-N 3.19Å; L378-N380 VanDerWaalsContact O-N 3.15Å; N380-Q382 VanDerWaalsContact C-N 3.27Å; N380-Q382 PolarHBondContact O-N 3.07Å; N380-Q382 WeakPolarHBondContact OD1-CB 3.24Å; N380-Q382 PolarHBondContact OD1-N 3.32Å
381	G	90.2	Very high	94.5	Very high	55 Å²	55	46.3 Å²	46.3	57%	0.567	28%	0.277	S	S	*	.	S	Bend	trans	82.4	-5.1	-178.7	0	0	0	0	0	114.7	L378 S379	L378-G381 PolarHBondContact O-N 3.38Å; S379-G381 PolarHBondContact O-N 3.35Å
382	Q	91.3	Very high	94.6	Very high	47 Å²	47	42.6 Å²	42.6	22%	0.22	26%	0.258	C	S	.	.			trans	-67.3	139.9	175.4	-168.5	-161.3	-50.5	0	0	110.1	L279 G282 L378 N380	L279-Q382 PolarHBondContact O-NE2 3.14Å; G282-Q382 VanDerWaalsContact CA-CD 3.43Å; L378-Q382 PolarHBondContact N-O 3.03Å; N380-Q382 VanDerWaalsContact C-N 3.27Å; N380-Q382 PolarHBondContact O-N 3.07Å; N380-Q382 WeakPolarHBondContact OD1-CB 3.24Å; N380-Q382 PolarHBondContact OD1-N 3.32Å
383	T	94.4	Very high	94.8	Very high	57 Å²	57	43.5 Å²	43.5	35%	0.35	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	138.5	176.6	65.6	0	0	0	0	111.6	K375 Y376 T377	K375-T383 VanDerWaalsContact CE-CB 3.42Å; Y376-T383 CarbonylContact O-C 3.54Å; Y376-T383 VanDerWaalsContact O-CA 3.25Å; Y376-T383 WeakPolarHBondContact O-CA 3.25Å; T377-T383 HydrophobicContact CG2-CG2 4.02Å
384	S	96	Very high	94.8	Very high	0 Å²	0	41 Å²	41	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	147.7	176.9	-58.6	0	0	0	0	110.2	V283 S284 K375 Y376	V283-S384 VanDerWaalsContact O-CB 3.24Å; V283-S384 WeakPolarHBondContact O-CB 3.44Å; V283-S384 PolarHBondContact O-OG 3.35Å; S284-S384 CarbonylContact O-C 3.06Å; S284-S384 VanDerWaalsContact O-CA 3.3Å; S284-S384 WeakPolarHBondContact O-CA 3.44Å; K375-S384 WeakPolarHBondContact CA-O 3.12Å; Y376-S384 PolarHBondContact N-O 3.46Å; Y376-S384 PolarHBondContact O-N 3.17Å
385	I	97.3	Very high	94.9	Very high	64 Å²	64	37.5 Å²	37.5	33%	0.328	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	122.7	174	-58.4	175.8	0	0	0	108.1	S284 E285 L286	S284-I385 PolarHBondContact O-N 3.39Å; E285-I385 CarbonylContact C-O 3.5Å; E285-I385 WeakPolarHBondContact CA-O 3.48Å; L286-I385 PolarHBondContact N-O 3.48Å
386	V	97.7	Very high	95.1	Very high	4 Å²	4	31.2 Å²	31.2	2%	0.024	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	121.5	169.7	-176.7	0	0	0	0	107.7	I275 L279 L286 V288 S373 K374 Y376 I388	I275-V386 HydrophobicContact CG2-CG2 4.01Å; L279-V386 HydrophobicContact CD1-CG2 4.03Å; L286-V386 HydrophobicContact CB-CG2 4.36Å; L286-V386 HydrophobicContact CD1-CG2 4.26Å; L286-V386 WeakPolarHBondContact O-CA 3.21Å; V288-V386 HydrophobicContact CG2-CG1 4.28Å; S373-V386 CarbonylContact C-O 3.57Å; S373-V386 WeakPolarHBondContact CA-O 3.12Å; K374-V386 PolarHBondContact N-O 2.89Å; K374-V386 PolarHBondContact O-N 3.18Å; Y376-V386 HydrophobicContact CD2-CB 4.34Å; Y376-V386 HydrophobicContact CD2-CG2 3.8Å; Y376-V386 HydrophobicContact CE2-CB 3.86Å; Y376-V386 HydrophobicContact CE2-CG2 3.65Å; V386-I388 HydrophobicContact CG1-CD1 4.24Å
387	T	98.1	Very high	95.3	Very high	20 Å²	20	35.2 Å²	35.2	12%	0.123	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	115.3	-179.9	-60.5	0	0	0	0	109.5	L286 F287 V288 S373 I389	L286-T387 PolarHBondContact O-N 2.88Å; F287-T387 WeakPolarHBondContact CA-O 3.08Å; F287-T387 HydrophobicContact CD1-CG2 4.26Å; F287-T387 HydrophobicContact CE1-CG2 4.17Å; V288-T387 PolarHBondContact N-O 3.19Å; S373-T387 WeakPolarHBondContact OG-CG2 3.4Å; S373-T387 PolarHBondContact OG-OG1 2.65Å; T387-I389 HydrophobicContact CG2-CG2 3.77Å
388	I	97.3	Very high	95.5	Very high	9 Å²	9	34.3 Å²	34.3	5%	0.046	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	121.8	169.2	-50.3	-52.7	0	0	0	107.9	V288 Q290 I366 L368 R370 I371 G372 V386	V288-I388 HydrophobicContact CB-CD1 3.84Å; V288-I388 HydrophobicContact CG1-CD1 4.42Å; V288-I388 HydrophobicContact CG2-CD1 4.42Å; V288-I388 CarbonylContact O-C 3.59Å; V288-I388 VanDerWaalsContact O-CA 3.29Å; V288-I388 WeakPolarHBondContact O-CA 3.19Å; Q290-I388 HydrophobicContact CB-CG2 4.39Å; I366-I388 HydrophobicContact CG2-CD1 4.4Å; L368-I388 HydrophobicContact CD2-CD1 3.93Å; L368-I388 WeakPolarHBondContact O-CG2 3.41Å; R370-I388 VanDerWaalsContact O-CB 3.22Å; R370-I388 WeakPolarHBondContact O-CB 3.32Å; R370-I388 WeakPolarHBondContact O-CG2 3.35Å; I371-I388 WeakPolarHBondContact CA-O 3.41Å; G372-I388 PolarHBondContact N-O 3.07Å; G372-I388 PolarHBondContact O-N 2.95Å; V386-I388 HydrophobicContact CG1-CD1 4.24Å
389	I	97.1	Very high	95.8	Very high	20 Å²	20	34.2 Å²	34.2	10%	0.103	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	156.9	-178.6	58.8	174.5	0	0	0	111.4	F287 V288 G289 Q290 I302 T387 S391	F287-I389 HydrophobicContact CD1-CD1 4.44Å; F287-I389 HydrophobicContact CD1-CG2 3.79Å; F287-I389 HydrophobicContact CE1-CG2 4.33Å; V288-I389 WeakPolarHBondContact O-CG1 3.28Å; V288-I389 PolarHBondContact O-N 2.79Å; G289-I389 CarbonylContact C-O 3.53Å; Q290-I389 WeakPolarHBondContact CB-O 3.36Å; Q290-I389 PolarHBondContact N-O 2.99Å; I302-I389 HydrophobicContact CD1-CD1 3.72Å; I302-I389 HydrophobicContact CG1-CD1 4.34Å; I302-I389 HydrophobicContact CG2-CD1 3.89Å; T387-I389 HydrophobicContact CG2-CG2 3.77Å; I389-S391 PolarHBondContact O-N 3.04Å
390	S	95.9	Very high	96.2	Very high	31 Å²	31	35.8 Å²	35.8	22%	0.217	20%	0.202	C	C	.	.			trans	-55.8	133.3	167.3	172	0	0	0	0	109.8	V392 S393	S390-V392 PolarHBondContact O-N 3.37Å; S390-V392 PolarHBondContact OG-N 2.85Å; S390-S393 VanDerWaalsContact CB-OG 3.26Å; S390-S393 WeakPolarHBondContact CB-OG 3.42Å; S390-S393 WeakPolarHBondContact OG-CB 3.43Å; S390-S393 PolarHBondContact OG-N 3.43Å; S390-S393 VanDerWaalsContact OG-N 3.11Å; S390-S393 PolarHBondContact OG-OG 3.28Å
391	S	94	Very high	96.7	Very high	11 Å²	11	34.7 Å²	34.7	8%	0.077	20%	0.199	C	C	.	.	S	Bend	trans	-63.1	-26.4	177.5	-57.5	0	0	0	0	112.4	Q290 I293 L294 I389 Y435	Q290-S391 PolarHBondContact N-OG 2.97Å; Q290-S391 PolarHBondContact O-OG 2.98Å; I293-S391 WeakPolarHBondContact O-CB 3.33Å; I293-S391 PolarHBondContact O-OG 3.18Å; L294-S391 WeakPolarHBondContact CD2-O 3.29Å; I389-S391 PolarHBondContact O-N 3.04Å; S391-Y435 WeakPolarHBondContact O-CE1 3.46Å; S391-Y435 PolarHBondContact O-OH 3.05Å
392	V	96.5	Very high	97.1	Very high	12 Å²	12	32.3 Å²	32.3	7%	0.073	17%	0.173	C	C	.	.	S	Bend	trans	-118.6	-34.2	-165.2	-173	0	0	0	0	113.7	S390 D394 Y395 A396 P434 Y435 E438	S390-V392 PolarHBondContact O-N 3.37Å; S390-V392 PolarHBondContact OG-N 2.85Å; V392-D394 PolarHBondContact O-N 3.49Å; V392-Y395 PolarHBondContact O-N 3.09Å; V392-A396 HydrophobicContact CG1-CB 4.02Å; V392-A396 WeakPolarHBondContact O-CB 3.36Å; V392-A396 PolarHBondContact O-N 3.42Å; V392-P434 HydrophobicContact CG2-CB 3.59Å; V392-Y435 HydrophobicContact CB-CD1 4.29Å; V392-Y435 HydrophobicContact CB-CE1 4.32Å; V392-Y435 HydrophobicContact CG1-CD1 3.79Å; V392-Y435 HydrophobicContact CG1-CE1 4.26Å; V392-Y435 HydrophobicContact CG1-CG 4.31Å; V392-Y435 HydrophobicContact CG2-CD1 4.08Å; V392-Y435 HydrophobicContact CG2-CD2 4.33Å; V392-Y435 HydrophobicContact CG2-CE1 4.11Å; V392-Y435 HydrophobicContact CG2-CE2 4.4Å; V392-Y435 HydrophobicContact CG2-CG 4.18Å; V392-E438 HydrophobicContact CB-CB 4.49Å; V392-E438 HydrophobicContact CG1-CB 3.67Å; V392-E438 HydrophobicContact CG1-CG 3.73Å
393	S	97.6	Very high	97.5	Very high	57 Å²	57	30.1 Å²	30.1	40%	0.399	16%	0.163	S	C	.	.	H	α-helix	trans	-57.1	-51.2	-164.7	-58.9	0	0	0	0	113.7	S390 Y395 A396 D397	S390-S393 VanDerWaalsContact CB-OG 3.26Å; S390-S393 WeakPolarHBondContact CB-OG 3.42Å; S390-S393 WeakPolarHBondContact OG-CB 3.43Å; S390-S393 PolarHBondContact OG-N 3.43Å; S390-S393 VanDerWaalsContact OG-N 3.11Å; S390-S393 PolarHBondContact OG-OG 3.28Å; S393-Y395 VanDerWaalsContact C-N 3.31Å; S393-Y395 PolarHBondContact O-N 3.08Å; S393-A396 PolarHBondContact O-N 3.1Å; S393-D397 WeakPolarHBondContact O-CB 3.46Å; S393-D397 PolarHBondContact O-N 3.41Å
394	D	97.8	Very high	97.7	Very high	31 Å²	31	30.7 Å²	30.7	17%	0.166	16%	0.164	C	C	.	.	H	α-helix	trans	-58	-44.4	-179.2	-88.6	-1.2	0	0	0	111.9	F301 I302 K305 H306 V392 Y398	F301-D394 HydrophobicContact CD1-CB 4.38Å; F301-D394 HydrophobicContact CE1-CB 4.04Å; F301-D394 WeakPolarHBondContact CE1-O 3.33Å; I302-D394 HydrophobicContact CG1-CB 4.14Å; K305-D394 HydrophobicContact CD-CB 4.43Å; K305-D394 IonicContact NZ-OD1 2.94Å; K305-D394 PolarHBondContact NZ-OD1 2.82Å; K305-D394 IonicContact NZ-OD2 3.07Å; K305-D394 PolarHBondContact NZ-OD2 3.42Å; H306-D394 IonicContact CD2-OD2 3.83Å; H306-D394 IonicContact CE1-OD2 2.88Å; H306-D394 IonicContact NE2-OD2 2.63Å; H306-D394 PolarHBondContact NE2-OD2 2.98Å; V392-D394 PolarHBondContact O-N 3.49Å; D394-Y398 PolarHBondContact O-N 3.17Å
395	Y	98.6	Very high	97.8	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-71.6	-42.2	-179.7	175.8	-88.5	0	0	0	112	P297 A298 V392 S393 Y398 M399 Y435 I439 D594 L596	P297-Y395 HydrophobicContact CB-CE2 4.03Å; A298-Y395 HydrophobicContact CB-CD2 3.99Å; A298-Y395 HydrophobicContact CB-CG 3.99Å; V392-Y395 PolarHBondContact O-N 3.09Å; S393-Y395 VanDerWaalsContact C-N 3.31Å; S393-Y395 PolarHBondContact O-N 3.08Å; Y395-Y398 WeakPolarHBondContact O-CB 3.31Å; Y395-Y398 PolarHBondContact O-N 2.78Å; Y395-Y398 VanDerWaalsContact O-N 3.16Å; Y395-M399 HydrophobicContact CD1-CG 3.98Å; Y395-M399 HydrophobicContact CD2-CE 4.19Å; Y395-M399 HydrophobicContact CE1-CE 4.42Å; Y395-M399 HydrophobicContact CE1-CG 3.4Å; Y395-M399 VanDerWaalsContact CE1-CG 3.4Å; Y395-M399 HydrophobicContact CE1-SD 4.19Å; Y395-M399 HydrophobicContact CE2-CE 3.58Å; Y395-M399 HydrophobicContact CE2-CG 4.28Å; Y395-M399 HydrophobicContact CE2-SD 4.26Å; Y395-M399 WeakPolarHBondContact O-CG 3.33Å; Y395-M399 PolarHBondContact O-N 3.15Å; Y395-M399 PolarHBondContact OH-SD 2.97Å; Y395-Y435 AromaticContact CD1-CD1 3.72Å; Y395-Y435 HydrophobicContact CD1-CD1 3.72Å; Y395-Y435 AromaticContact CD1-CE1 3.99Å; Y395-Y435 HydrophobicContact CD1-CE1 3.99Å; Y395-Y435 HydrophobicContact CE1-CD1 4.2Å; Y395-Y435 HydrophobicContact CG-CD1 4.43Å; Y395-Y435 HydrophobicContact CG-CE1 4.25Å; Y395-I439 HydrophobicContact CD1-CD1 3.84Å; Y395-I439 HydrophobicContact CE1-CD1 3.81Å; Y395-D594 VanDerWaalsContact CE2-OD2 3.28Å; Y395-D594 WeakPolarHBondContact CE2-OD2 3.38Å; Y395-D594 PolarHBondContact OH-OD1 3.31Å; Y395-D594 PolarHBondContact OH-OD2 2.88Å; Y395-L596 HydrophobicContact CE1-CD2 4.01Å
396	A	98.6	Very high	97.9	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-62.8	-44	178.3	0	0	0	0	0	112.2	V392 S393 Y398 M399 R400 E438 I439	V392-A396 HydrophobicContact CG1-CB 4.02Å; V392-A396 WeakPolarHBondContact O-CB 3.36Å; V392-A396 PolarHBondContact O-N 3.42Å; S393-A396 PolarHBondContact O-N 3.1Å; A396-Y398 PolarHBondContact O-N 2.66Å; A396-M399 PolarHBondContact O-N 2.87Å; A396-R400 PolarHBondContact O-N 3.47Å; A396-E438 HydrophobicContact CB-CG 4.34Å; A396-I439 HydrophobicContact CB-CD1 3.83Å; A396-I439 HydrophobicContact CB-CG1 3.59Å
397	D	98.5	Very high	97.9	Very high	89 Å²	89	34.7 Å²	34.7	48%	0.476	19%	0.187	S	C	.	.	H	α-helix	trans	-59.9	-38.6	174.3	-73.8	-18.3	0	0	0	111.1	S393 T401	S393-D397 WeakPolarHBondContact O-CB 3.46Å; S393-D397 PolarHBondContact O-N 3.41Å; D397-T401 WeakPolarHBondContact O-CG2 3.42Å; D397-T401 PolarHBondContact O-N 2.97Å
398	Y	98.6	Very high	97.9	Very high	43 Å²	43	33.8 Å²	33.8	17%	0.169	18%	0.181	C	C	.	.	H	α-helix	trans	-68.2	-47.4	176.2	-171	-139.5	0	0	0	112.2	F301 D394 Y395 A396 R400 T401 L402 H589 I590	F301-Y398 HydrophobicContact CD1-CD1 4.45Å; F301-Y398 AromaticContact CD2-CD1 3.23Å; F301-Y398 HydrophobicContact CD2-CD1 3.23Å; F301-Y398 AromaticContact CD2-CE1 3.51Å; F301-Y398 HydrophobicContact CD2-CE1 3.51Å; F301-Y398 AromaticContact CD2-CG 3.82Å; F301-Y398 HydrophobicContact CD2-CG 3.82Å; F301-Y398 HydrophobicContact CE1-CD1 4.5Å; F301-Y398 HydrophobicContact CE1-CG 4.31Å; F301-Y398 AromaticContact CE2-CD1 3.3Å; F301-Y398 HydrophobicContact CE2-CD1 3.3Å; F301-Y398 AromaticContact CE2-CD2 3.8Å; F301-Y398 HydrophobicContact CE2-CD2 3.8Å; F301-Y398 AromaticContact CE2-CE1 3.68Å; F301-Y398 HydrophobicContact CE2-CE1 3.68Å; F301-Y398 HydrophobicContact CE2-CE2 4.18Å; F301-Y398 AromaticContact CE2-CG 3.36Å; F301-Y398 HydrophobicContact CE2-CG 3.36Å; F301-Y398 AromaticContact CG-CD1 3.85Å; F301-Y398 HydrophobicContact CG-CD1 3.85Å; F301-Y398 HydrophobicContact CG-CE1 4.43Å; F301-Y398 HydrophobicContact CG-CG 4.46Å; F301-Y398 AromaticContact CZ-CD1 3.97Å; F301-Y398 HydrophobicContact CZ-CD1 3.97Å; F301-Y398 HydrophobicContact CZ-CD2 4.16Å; F301-Y398 AromaticContact CZ-CG 3.64Å; F301-Y398 HydrophobicContact CZ-CG 3.64Å; D394-Y398 PolarHBondContact O-N 3.17Å; Y395-Y398 WeakPolarHBondContact O-CB 3.31Å; Y395-Y398 PolarHBondContact O-N 2.78Å; Y395-Y398 VanDerWaalsContact O-N 3.16Å; A396-Y398 PolarHBondContact O-N 2.66Å; Y398-R400 PolarHBondContact O-N 3.43Å; Y398-T401 PolarHBondContact O-N 3.15Å; Y398-T401 PolarHBondContact O-OG1 2.95Å; Y398-L402 HydrophobicContact CD1-CD1 4.26Å; Y398-L402 HydrophobicContact CD2-CD2 4.39Å; Y398-L402 HydrophobicContact CD2-CG 4.46Å; Y398-L402 HydrophobicContact CE1-CD1 4.05Å; Y398-L402 HydrophobicContact CE2-CD2 3.77Å; Y398-L402 HydrophobicContact CE2-CG 4.27Å; Y398-L402 WeakPolarHBondContact O-CG 3.43Å; Y398-L402 PolarHBondContact O-N 3.25Å; Y398-H589 HydrophobicContact CE1-CB 4.27Å; Y398-H589 AromaticContact CE1-CD2 3.87Å; Y398-H589 PolarHBondContact OH-O 2.72Å; Y398-H589 VanDerWaalsContact OH-O 3.13Å; Y398-I590 HydrophobicContact CE1-CG2 4.04Å
399	M	98.8	Very high	98	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-55.8	-37.6	176.9	-70.9	-56.4	110.1	0	0	112.3	Y395 A396 T401 L402 F403 F405 I439 W597 L600	Y395-M399 HydrophobicContact CD1-CG 3.98Å; Y395-M399 HydrophobicContact CD2-CE 4.19Å; Y395-M399 HydrophobicContact CE1-CE 4.42Å; Y395-M399 HydrophobicContact CE1-CG 3.4Å; Y395-M399 VanDerWaalsContact CE1-CG 3.4Å; Y395-M399 HydrophobicContact CE1-SD 4.19Å; Y395-M399 HydrophobicContact CE2-CE 3.58Å; Y395-M399 HydrophobicContact CE2-CG 4.28Å; Y395-M399 HydrophobicContact CE2-SD 4.26Å; Y395-M399 WeakPolarHBondContact O-CG 3.33Å; Y395-M399 PolarHBondContact O-N 3.15Å; Y395-M399 PolarHBondContact OH-SD 2.97Å; A396-M399 PolarHBondContact O-N 2.87Å; M399-T401 PolarHBondContact O-N 3.39Å; M399-L402 HydrophobicContact CE-CD1 3.53Å; M399-L402 PolarHBondContact O-N 3.19Å; M399-L402 VanDerWaalsContact O-N 3.12Å; M399-L402 HydrophobicContact SD-CD1 4.12Å; M399-F403 WeakPolarHBondContact O-CD2 3.41Å; M399-F403 PolarHBondContact O-N 3.42Å; M399-F403 HydrophobicContact SD-CE2 4.18Å; M399-F405 HydrophobicContact CB-CE1 4.46Å; M399-F405 HydrophobicContact CB-CZ 4.12Å; M399-F405 WeakPolarHBondContact O-CE1 3.49Å; M399-I439 HydrophobicContact CG-CD1 4.47Å; M399-W597 HydrophobicContact SD-CB 4.2Å; M399-L600 HydrophobicContact CB-CD1 4.04Å; M399-L600 HydrophobicContact CG-CD1 4.16Å; M399-L600 HydrophobicContact SD-CD1 4.19Å
400	R	98.4	Very high	98	Very high	108 Å²	108	40 Å²	40	41%	0.408	21%	0.213	S	C	.	.	H	α-helix	trans	-60.8	-30.9	174.3	-171.8	-168.9	-64	-89.2	9.2	113.2	A396 Y398 F403 F405 Q443	A396-R400 PolarHBondContact O-N 3.47Å; Y398-R400 PolarHBondContact O-N 3.43Å; R400-F403 VanDerWaalsContact O-O 3.11Å; R400-F405 HydrophobicContact CB-CD2 4.19Å; R400-F405 HydrophobicContact CB-CE1 4.37Å; R400-F405 HydrophobicContact CB-CE2 4.03Å; R400-F405 HydrophobicContact CB-CG 4.43Å; R400-F405 HydrophobicContact CB-CZ 4.12Å; R400-F405 HydrophobicContact CG-CD2 4Å; R400-F405 HydrophobicContact CG-CE2 4.34Å; R400-F405 HydrophobicContact CG-CG 4.1Å; R400-Q443 VanDerWaalsContact CZ-OE1 3.29Å
401	T	98.4	Very high	98.1	Very high	71 Å²	71	38.6 Å²	38.6	44%	0.436	20%	0.203	S	C	.	.	H	α-helix	trans	-75	-32.4	175.7	76.7	0	0	0	0	111.9	D397 Y398 M399 K525	D397-T401 WeakPolarHBondContact O-CG2 3.42Å; D397-T401 PolarHBondContact O-N 2.97Å; Y398-T401 PolarHBondContact O-N 3.15Å; Y398-T401 PolarHBondContact O-OG1 2.95Å; M399-T401 PolarHBondContact O-N 3.39Å; T401-K525 WeakPolarHBondContact O-CE 3.46Å; T401-K525 PolarHBondContact O-NZ 3.48Å
402	L	98.7	Very high	98.3	Very high	4 Å²	4	38.3 Å²	38.3	2%	0.021	20%	0.201	C	C	.	.	H	α-helix	trans	-78.6	-25.4	-174.6	-56	-177.2	0	0	0	114.4	Y398 M399 K525 Y526 H589	Y398-L402 HydrophobicContact CD1-CD1 4.26Å; Y398-L402 HydrophobicContact CD2-CD2 4.39Å; Y398-L402 HydrophobicContact CD2-CG 4.46Å; Y398-L402 HydrophobicContact CE1-CD1 4.05Å; Y398-L402 HydrophobicContact CE2-CD2 3.77Å; Y398-L402 HydrophobicContact CE2-CG 4.27Å; Y398-L402 WeakPolarHBondContact O-CG 3.43Å; Y398-L402 PolarHBondContact O-N 3.25Å; M399-L402 HydrophobicContact CE-CD1 3.53Å; M399-L402 PolarHBondContact O-N 3.19Å; M399-L402 VanDerWaalsContact O-N 3.12Å; M399-L402 HydrophobicContact SD-CD1 4.12Å; L402-K525 WeakPolarHBondContact O-CB 3.37Å; L402-Y526 HydrophobicContact CD2-CD2 3.42Å; L402-Y526 VanDerWaalsContact CD2-CD2 3.42Å; L402-Y526 HydrophobicContact CD2-CE2 4.04Å; L402-Y526 HydrophobicContact CD2-CG 3.92Å; L402-Y526 WeakPolarHBondContact O-CB 3.34Å; L402-Y526 PolarHBondContact O-N 2.85Å; L402-H589 HydrophobicContact CD1-CB 3.96Å; L402-H589 WeakPolarHBondContact CD1-CD2 3.38Å; L402-H589 HydrophobicContact CD2-CB 4.36Å
403	F	98.9	Very high	98.4	Very high	2 Å²	2	41.7 Å²	41.7	1%	0.009	22%	0.218	C	C	.	.	S	Bend	trans	-126.2	159.2	-174.9	-62.5	-76.8	0	0	0	112.4	M399 R400 F405 I408 I524 W597 L600 A601 S604	M399-F403 WeakPolarHBondContact O-CD2 3.41Å; M399-F403 PolarHBondContact O-N 3.42Å; M399-F403 HydrophobicContact SD-CE2 4.18Å; R400-F403 VanDerWaalsContact O-O 3.11Å; F403-F405 HydrophobicContact CB-CD1 3.99Å; F403-F405 HydrophobicContact CB-CE1 4Å; F403-F405 PolarHBondContact O-N 3.32Å; F403-I408 HydrophobicContact CB-CD1 4.05Å; F403-I524 HydrophobicContact CD1-CG2 4.01Å; F403-I524 HydrophobicContact CE1-CG1 4.4Å; F403-I524 HydrophobicContact CE1-CG2 3.7Å; F403-W597 AromaticContact CE2-CD1 3.4Å; F403-W597 VanDerWaalsContact CE2-CD1 3.4Å; F403-W597 HydrophobicContact CE2-CG 4.04Å; F403-W597 AromaticContact CE2-NE1 3.74Å; F403-W597 AromaticContact CZ-CD1 3.4Å; F403-W597 VanDerWaalsContact CZ-CD1 3.4Å; F403-W597 HydrophobicContact CZ-CD2 4.11Å; F403-W597 AromaticContact CZ-CE2 3.8Å; F403-W597 AromaticContact CZ-CG 3.82Å; F403-W597 HydrophobicContact CZ-CG 3.82Å; F403-W597 AromaticContact CZ-NE1 3.37Å; F403-W597 WeakPolarHBondContact CZ-O 3.37Å; F403-L600 HydrophobicContact CD1-CB 4.16Å; F403-L600 HydrophobicContact CD2-CB 3.69Å; F403-L600 HydrophobicContact CD2-CD1 3.74Å; F403-L600 HydrophobicContact CD2-CG 4.3Å; F403-L600 HydrophobicContact CE1-CB 3.94Å; F403-L600 HydrophobicContact CE2-CB 3.44Å; F403-L600 VanDerWaalsContact CE2-CB 3.44Å; F403-L600 HydrophobicContact CE2-CD1 3.75Å; F403-L600 HydrophobicContact CE2-CG 4.25Å; F403-L600 HydrophobicContact CG-CB 4.03Å; F403-L600 HydrophobicContact CZ-CB 3.56Å; F403-A601 HydrophobicContact CE1-CB 4.18Å; F403-A601 HydrophobicContact CZ-CB 4.46Å; F403-S604 WeakPolarHBondContact CD1-OG 3.15Å
404	D	98.6	Very high	98.2	Very high	69 Å²	69	39.4 Å²	39.4	37%	0.369	20%	0.204	S	C	.	.			trans	-83.9	89.9	170.3	-178	-8.7	0	0	0	109.8	D406 S407 I408	D404-D406 VanDerWaalsContact C-N 3.27Å; D404-D406 PolarHBondContact O-N 2.84Å; D404-D406 PolarHBondContact OD1-N 2.87Å; D404-S407 VanDerWaalsContact CG-CB 3.47Å; D404-S407 PolarHBondContact O-N 3Å; D404-S407 PolarHBondContact OD1-N 3.43Å; D404-S407 PolarHBondContact OD1-OG 3.41Å; D404-S407 WeakPolarHBondContact OD2-CB 3.5Å; D404-S407 PolarHBondContact OD2-OG 2.97Å; D404-I408 WeakPolarHBondContact O-CG1 3.38Å; D404-I408 PolarHBondContact O-N 3.38Å; D404-I408 VanDerWaalsContact O-N 3.11Å
405	F	98.7	Very high	97.9	Very high	12 Å²	12	41 Å²	41	5%	0.053	22%	0.217	C	C	.	.	H	α-helix	trans	-65	-28.8	-178.7	-89.8	37.9	0	0	0	112.9	M399 R400 F403 K409 I439 Q443 L444	M399-F405 HydrophobicContact CB-CE1 4.46Å; M399-F405 HydrophobicContact CB-CZ 4.12Å; M399-F405 WeakPolarHBondContact O-CE1 3.49Å; R400-F405 HydrophobicContact CB-CD2 4.19Å; R400-F405 HydrophobicContact CB-CE1 4.37Å; R400-F405 HydrophobicContact CB-CE2 4.03Å; R400-F405 HydrophobicContact CB-CG 4.43Å; R400-F405 HydrophobicContact CB-CZ 4.12Å; R400-F405 HydrophobicContact CG-CD2 4Å; R400-F405 HydrophobicContact CG-CE2 4.34Å; R400-F405 HydrophobicContact CG-CG 4.1Å; F403-F405 HydrophobicContact CB-CD1 3.99Å; F403-F405 HydrophobicContact CB-CE1 4Å; F403-F405 PolarHBondContact O-N 3.32Å; F405-K409 WeakPolarHBondContact O-CB 3.16Å; F405-K409 PolarHBondContact O-N 3.28Å; F405-I439 HydrophobicContact CE2-CG2 4.11Å; F405-I439 HydrophobicContact CZ-CG2 3.87Å; F405-Q443 HydrophobicContact CD2-CB 4.38Å; F405-Q443 HydrophobicContact CE2-CB 4.24Å; F405-L444 HydrophobicContact CB-CD2 3.79Å; F405-L444 HydrophobicContact CD1-CD2 4.18Å; F405-L444 HydrophobicContact CD2-CD2 3.55Å; F405-L444 HydrophobicContact CD2-CG 4.06Å; F405-L444 HydrophobicContact CE2-CD1 4.48Å; F405-L444 HydrophobicContact CE2-CD2 4.12Å; F405-L444 HydrophobicContact CE2-CG 4.17Å; F405-L444 HydrophobicContact CG-CD2 3.58Å; F405-L444 HydrophobicContact CG-CG 4.49Å; F405-L444 WeakPolarHBondContact O-CD2 3.28Å
406	D	98.3	Very high	97.5	Very high	122 Å²	122	49.7 Å²	49.7	65%	0.652	26%	0.263	S	S	*	.	H	α-helix	trans	-70.1	-42.4	179.7	-68.6	-28.6	0	0	0	110.5	D404 K409 T410	D404-D406 VanDerWaalsContact C-N 3.27Å; D404-D406 PolarHBondContact O-N 2.84Å; D404-D406 PolarHBondContact OD1-N 2.87Å; D406-K409 PolarHBondContact O-N 2.86Å; D406-T410 WeakPolarHBondContact O-CB 3.12Å; D406-T410 PolarHBondContact O-N 3.36Å; D406-T410 PolarHBondContact O-OG1 3.12Å
407	S	98.2	Very high	96.9	Very high	18 Å²	18	58.8 Å²	58.8	13%	0.126	31%	0.306	C	S	.	.	H	α-helix	trans	-64.6	-43.4	174.6	-68.7	0	0	0	0	112.4	D404 T410 L411 Q611	D404-S407 VanDerWaalsContact CG-CB 3.47Å; D404-S407 PolarHBondContact O-N 3Å; D404-S407 PolarHBondContact OD1-N 3.43Å; D404-S407 PolarHBondContact OD1-OG 3.41Å; D404-S407 WeakPolarHBondContact OD2-CB 3.5Å; D404-S407 PolarHBondContact OD2-OG 2.97Å; S407-T410 PolarHBondContact O-N 2.92Å; S407-L411 PolarHBondContact O-N 3.4Å; S407-Q611 PolarHBondContact OG-NE2 2.87Å
408	I	98.7	Very high	96.6	Very high	1 Å²	1	57 Å²	57	1%	0.005	29%	0.292	C	S	.	.	H	α-helix	trans	-67.5	-41.9	176.9	-64.3	168.5	0	0	0	110.8	F403 D404 T410 L411 L412 L444 L600 L603 A607	F403-I408 HydrophobicContact CB-CD1 4.05Å; D404-I408 WeakPolarHBondContact O-CG1 3.38Å; D404-I408 PolarHBondContact O-N 3.38Å; D404-I408 VanDerWaalsContact O-N 3.11Å; I408-T410 VanDerWaalsContact C-N 3.34Å; I408-T410 PolarHBondContact O-N 2.9Å; I408-L411 WeakPolarHBondContact O-CA 3.48Å; I408-L411 VanDerWaalsContact O-CB 3.28Å; I408-L411 WeakPolarHBondContact O-CB 3.35Å; I408-L411 PolarHBondContact O-N 3.41Å; I408-L411 VanDerWaalsContact O-N 3.08Å; I408-L412 HydrophobicContact CG2-CD1 4.31Å; I408-L412 HydrophobicContact CG2-CG 4.36Å; I408-L412 PolarHBondContact O-N 3.08Å; I408-L444 HydrophobicContact CB-CD2 4Å; I408-L444 HydrophobicContact CG2-CD1 3.84Å; I408-L444 HydrophobicContact CG2-CD2 3.9Å; I408-L444 HydrophobicContact CG2-CG 4.36Å; I408-L600 HydrophobicContact CD1-CD2 4.24Å; I408-L603 HydrophobicContact CD1-CB 4.37Å; I408-L603 HydrophobicContact CG1-CB 4.25Å; I408-L603 HydrophobicContact CG2-CB 3.95Å; I408-L603 HydrophobicContact CG2-CD1 4.02Å; I408-A607 HydrophobicContact CG1-CB 4.49Å
409	K	98.5	Very high	96.3	Very high	82 Å²	82	62.6 Å²	62.6	36%	0.357	32%	0.32	S	S	.	.	H	α-helix	trans	-58.9	-48.3	176.2	178.2	169.1	-173.9	168	0	110.7	F405 D406 L411 L412 I413 L444	F405-K409 WeakPolarHBondContact O-CB 3.16Å; F405-K409 PolarHBondContact O-N 3.28Å; D406-K409 PolarHBondContact O-N 2.86Å; K409-L411 PolarHBondContact O-N 3.23Å; K409-L412 PolarHBondContact O-N 3.16Å; K409-I413 HydrophobicContact CG-CD1 4.16Å; K409-I413 HydrophobicContact CG-CG2 4.24Å; K409-I413 WeakPolarHBondContact O-CG1 3.38Å; K409-I413 PolarHBondContact O-N 2.92Å; K409-L444 WeakPolarHBondContact CA-O 3.36Å; K409-L444 HydrophobicContact CB-CD2 4.32Å; K409-L444 WeakPolarHBondContact CG-O 3.5Å
410	T	97.9	Very high	96.2	Very high	76 Å²	76	65.5 Å²	65.5	47%	0.466	34%	0.339	S	S	.	.	H	α-helix	trans	-57.2	-36.5	175.2	-56.1	0	0	0	0	111.7	D406 S407 I408 G414 R418	D406-T410 WeakPolarHBondContact O-CB 3.12Å; D406-T410 PolarHBondContact O-N 3.36Å; D406-T410 PolarHBondContact O-OG1 3.12Å; S407-T410 PolarHBondContact O-N 2.92Å; I408-T410 VanDerWaalsContact C-N 3.34Å; I408-T410 PolarHBondContact O-N 2.9Å; T410-G414 PolarHBondContact O-N 2.79Å; T410-R418 PolarHBondContact O-NH2 3.46Å
411	L	97.9	Very high	96.2	Very high	2 Å²	2	60.9 Å²	60.9	1%	0.01	32%	0.322	C	S	.	.	H	α-helix	trans	-64	-46.9	172	176.3	72.2	0	0	0	112.1	S407 I408 K409 R418 F421 L603 L606 A607 V616	S407-L411 PolarHBondContact O-N 3.4Å; I408-L411 WeakPolarHBondContact O-CA 3.48Å; I408-L411 VanDerWaalsContact O-CB 3.28Å; I408-L411 WeakPolarHBondContact O-CB 3.35Å; I408-L411 PolarHBondContact O-N 3.41Å; I408-L411 VanDerWaalsContact O-N 3.08Å; K409-L411 PolarHBondContact O-N 3.23Å; L411-R418 PolarHBondContact O-NH1 3.25Å; L411-R418 PolarHBondContact O-NH2 3.22Å; L411-F421 HydrophobicContact CD1-CB 3.9Å; L411-F421 HydrophobicContact CD1-CD2 4.09Å; L411-F421 HydrophobicContact CD1-CG 4.09Å; L411-F421 HydrophobicContact CG-CB 3.86Å; L411-F421 HydrophobicContact CG-CG 4.14Å; L411-F421 WeakPolarHBondContact O-CB 3.41Å; L411-F421 PolarHBondContact O-N 2.88Å; L411-F421 VanDerWaalsContact O-N 3.1Å; L411-L603 HydrophobicContact CD2-CD2 4.14Å; L411-L606 HydrophobicContact CD2-CB 3.64Å; L411-A607 HydrophobicContact CB-CB 4.13Å; L411-A607 HydrophobicContact CD2-CB 4.22Å; L411-V616 HydrophobicContact CD1-CG1 3.6Å
412	L	98.2	Very high	96.2	Very high	6 Å²	6	61.6 Å²	61.6	3%	0.031	32%	0.319	C	S	.	.	H	α-helix	trans	-73.4	-44.6	-175.4	-63.9	-175	0	0	0	112.6	I408 K409 P420 F421 L423 L444 L446 L603	I408-L412 HydrophobicContact CG2-CD1 4.31Å; I408-L412 HydrophobicContact CG2-CG 4.36Å; I408-L412 PolarHBondContact O-N 3.08Å; K409-L412 PolarHBondContact O-N 3.16Å; L412-P420 WeakPolarHBondContact O-CA 3.49Å; L412-P420 VanDerWaalsContact O-CB 3.27Å; L412-P420 WeakPolarHBondContact O-CB 3.12Å; L412-F421 HydrophobicContact CD2-CB 4.5Å; L412-F421 HydrophobicContact CD2-CD1 4.26Å; L412-F421 PolarHBondContact O-N 3.2Å; L412-L423 HydrophobicContact CD2-CB 4.4Å; L412-L444 HydrophobicContact CD1-CB 3.81Å; L412-L446 HydrophobicContact CD1-CB 4.19Å; L412-L603 HydrophobicContact CD2-CD2 4.2Å
413	I	97.8	Very high	96.2	Very high	82 Å²	82	61.4 Å²	61.4	42%	0.421	32%	0.318	S	S	.	.	H	α-helix	trans	-81.6	-18	-175.5	73.7	180	0	0	0	114	K409 P420	K409-I413 HydrophobicContact CG-CD1 4.16Å; K409-I413 HydrophobicContact CG-CG2 4.24Å; K409-I413 WeakPolarHBondContact O-CG1 3.38Å; K409-I413 PolarHBondContact O-N 2.92Å; I413-P420 WeakPolarHBondContact O-CG 3.35Å
414	G	95	Very high	96.2	Very high	10 Å²	10	61.4 Å²	61.4	10%	0.103	32%	0.319	C	S	.	.			trans	84.1	-171.5	-174	0	0	0	0	0	113.8	T410 R418	T410-G414 PolarHBondContact O-N 2.79Å; G414-R418 CarbonylContact C-O 3.58Å; G414-R418 WeakPolarHBondContact CA-O 3.14Å
415	S	90.3	Very high	96.2	Very high	65 Å²	65	58.1 Å²	58.1	46%	0.455	30%	0.301	S	S	.	.	B	Isolated β-bridge	trans	-151.4	176.9	170.7	66.8	0	0	0	0	108.7	E417 R418	S415-E417 PolarHBondContact O-N 2.84Å; S415-E417 PolarHBondContact OG-N 2.83Å; S415-R418 PolarHBondContact N-O 2.81Å; S415-R418 CarbonylContact O-C 3.55Å; S415-R418 PolarHBondContact O-N 3Å; S415-R418 VanDerWaalsContact O-N 3.12Å; S415-R418 PolarHBondContact OG-N 2.91Å
416	D	89.7	Confident	96.1	Very high	181 Å²	181	57.6 Å²	57.6	97%	0.968	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-21.5	174.6	-64	-27.4	0	0	0	113.3
417	E	87.8	Confident	96	Very high	191 Å²	191	51.8 Å²	51.8	89%	0.893	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.2	-13.6	-178.5	-61.5	-178.2	174.7	0	0	113.5	S415	S415-E417 PolarHBondContact O-N 2.84Å; S415-E417 PolarHBondContact OG-N 2.83Å
418	R	90.8	Very high	95.8	Very high	51 Å²	51	51.2 Å²	51.2	19%	0.192	26%	0.263	C	S	.	.	B	Isolated β-bridge	trans	-146.6	125	-173.9	-168	-169.9	65	74.8	13.6	111.8	T410 L411 G414 S415 S610	T410-R418 PolarHBondContact O-NH2 3.46Å; L411-R418 PolarHBondContact O-NH1 3.25Å; L411-R418 PolarHBondContact O-NH2 3.22Å; G414-R418 CarbonylContact C-O 3.58Å; G414-R418 WeakPolarHBondContact CA-O 3.14Å; S415-R418 PolarHBondContact N-O 2.81Å; S415-R418 CarbonylContact O-C 3.55Å; S415-R418 PolarHBondContact O-N 3Å; S415-R418 VanDerWaalsContact O-N 3.12Å; S415-R418 PolarHBondContact OG-N 2.91Å; R418-S610 WeakPolarHBondContact CD-OG 3.33Å
419	E	93.6	Very high	95.4	Very high	161 Å²	161	52.2 Å²	52.2	75%	0.752	27%	0.268	S	S	*	.			trans	-56.7	149.5	174.3	-67.6	-64.3	146.8	0	0	113	F421	E419-F421 PolarHBondContact O-N 3.06Å
420	P	96.3	Very high	95.2	Very high	62 Å²	62	48.4 Å²	48.4	40%	0.403	25%	0.252	S	S	.	.			trans	-49	135.1	172.6	-25.2	31.1	0	0	0	112.7	L412 I413 K422	L412-P420 WeakPolarHBondContact O-CA 3.49Å; L412-P420 VanDerWaalsContact O-CB 3.27Å; L412-P420 WeakPolarHBondContact O-CB 3.12Å; I413-P420 WeakPolarHBondContact O-CG 3.35Å; P420-K422 PolarHBondContact O-N 2.79Å; P420-K422 VanDerWaalsContact O-N 3.15Å
421	F	97.8	Very high	95	Very high	10 Å²	10	44.8 Å²	44.8	4%	0.044	23%	0.23	C	C	.	.			trans	-77.6	101.6	173.1	-171.6	-90.3	0	0	0	109.5	L411 L412 E419 L423 A486 M487 L603 L606 V616	L411-F421 HydrophobicContact CD1-CB 3.9Å; L411-F421 HydrophobicContact CD1-CD2 4.09Å; L411-F421 HydrophobicContact CD1-CG 4.09Å; L411-F421 HydrophobicContact CG-CB 3.86Å; L411-F421 HydrophobicContact CG-CG 4.14Å; L411-F421 WeakPolarHBondContact O-CB 3.41Å; L411-F421 PolarHBondContact O-N 2.88Å; L411-F421 VanDerWaalsContact O-N 3.1Å; L412-F421 HydrophobicContact CD2-CB 4.5Å; L412-F421 HydrophobicContact CD2-CD1 4.26Å; L412-F421 PolarHBondContact O-N 3.2Å; E419-F421 PolarHBondContact O-N 3.06Å; F421-L423 HydrophobicContact CD1-CB 4.47Å; F421-L423 PolarHBondContact O-N 3.05Å; F421-L423 VanDerWaalsContact O-N 3.09Å; F421-A486 HydrophobicContact CD1-CB 4.3Å; F421-A486 HydrophobicContact CD2-CB 3.78Å; F421-A486 HydrophobicContact CE1-CB 4.02Å; F421-A486 HydrophobicContact CE2-CB 3.46Å; F421-A486 VanDerWaalsContact CE2-CB 3.46Å; F421-A486 HydrophobicContact CG-CB 4.19Å; F421-A486 HydrophobicContact CZ-CB 3.59Å; F421-M487 HydrophobicContact CE1-CB 3.65Å; F421-M487 HydrophobicContact CE1-SD 4.21Å; F421-M487 HydrophobicContact CZ-CB 3.78Å; F421-M487 HydrophobicContact CZ-SD 4.37Å; F421-L603 HydrophobicContact CE1-CD2 4.46Å; F421-L606 HydrophobicContact CE1-CD1 4.09Å; F421-L606 HydrophobicContact CE2-CD1 4.3Å; F421-L606 HydrophobicContact CE2-CD2 4.38Å; F421-L606 HydrophobicContact CZ-CD1 3.68Å; F421-L606 HydrophobicContact CZ-CD2 4.44Å; F421-V616 HydrophobicContact CD2-CG1 4.12Å; F421-V616 HydrophobicContact CE2-CG1 4.17Å
422	K	98.1	Very high	94.9	Very high	86 Å²	86	44.7 Å²	44.7	37%	0.374	23%	0.23	S	C	.	.			trans	-74.1	99.8	-177.4	-67.4	-177.3	175.6	-175	0	111.8	P420 L450 S484 L485 A486 M487	P420-K422 PolarHBondContact O-N 2.79Å; P420-K422 VanDerWaalsContact O-N 3.15Å; K422-L450 HydrophobicContact CB-CD1 4.28Å; K422-L450 HydrophobicContact CG-CD1 4.49Å; K422-S484 WeakPolarHBondContact CD-O 3.01Å; K422-S484 PolarHBondContact NZ-OG 2.99Å; K422-S484 VanDerWaalsContact NZ-OG 3.08Å; K422-L485 HydrophobicContact CB-CD2 4.15Å; K422-A486 PolarHBondContact O-N 2.82Å; K422-M487 PolarHBondContact O-N 3.22Å
423	L	98.7	Very high	94.7	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	112.2	173.2	169.7	66	0	0	0	110	L412 F421 L440 L446 L450 M487 A489 L599 L603	L412-L423 HydrophobicContact CD2-CB 4.4Å; F421-L423 HydrophobicContact CD1-CB 4.47Å; F421-L423 PolarHBondContact O-N 3.05Å; F421-L423 VanDerWaalsContact O-N 3.09Å; L423-L440 HydrophobicContact CD2-CD1 4.44Å; L423-L446 HydrophobicContact CB-CD1 3.96Å; L423-L446 HydrophobicContact CD2-CD2 4.35Å; L423-L450 VanDerWaalsContact O-CB 3.28Å; L423-L450 WeakPolarHBondContact O-CB 3.5Å; L423-M487 WeakPolarHBondContact CA-O 2.91Å; L423-M487 HydrophobicContact CD1-CB 4.08Å; L423-M487 HydrophobicContact CD1-CG 3.92Å; L423-M487 HydrophobicContact CD1-SD 4.38Å; L423-A489 HydrophobicContact CD1-CB 4.27Å; L423-L599 HydrophobicContact CD1-CD1 4.31Å; L423-L599 HydrophobicContact CD2-CD1 4.33Å; L423-L599 HydrophobicContact CD2-CD2 4.16Å; L423-L603 HydrophobicContact CD2-CD1 4.17Å; L423-L603 HydrophobicContact CD2-CD2 4.37Å
424	L	98.7	Very high	94.6	Very high	3 Å²	3	42.5 Å²	42.5	2%	0.016	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	122	169.5	-175.8	69.3	0	0	0	109.3	L450 I452 L475 M478 L485 M487 A488 A489	L424-L450 HydrophobicContact CD1-CD2 4.4Å; L424-I452 HydrophobicContact CD1-CD1 4.33Å; L424-I452 HydrophobicContact CD1-CG1 4.46Å; L424-I452 HydrophobicContact CD1-CG2 4.01Å; L424-I452 HydrophobicContact CD2-CD1 4.47Å; L424-I452 HydrophobicContact CG-CD1 4.43Å; L424-L475 HydrophobicContact CB-CD1 4.41Å; L424-L475 HydrophobicContact CD2-CD1 3.47Å; L424-L475 VanDerWaalsContact CD2-CD1 3.47Å; L424-L475 HydrophobicContact CG-CD1 3.59Å; L424-M478 HydrophobicContact CD1-CE 4.03Å; L424-M478 HydrophobicContact CD2-CB 3.64Å; L424-M478 HydrophobicContact CD2-CE 3.96Å; L424-M478 HydrophobicContact CD2-CG 4.47Å; L424-M478 HydrophobicContact CD2-SD 4.08Å; L424-L485 HydrophobicContact CB-CD1 4.12Å; L424-L485 HydrophobicContact CB-CD2 4.14Å; L424-L485 HydrophobicContact CD2-CD1 3.78Å; L424-L485 HydrophobicContact CG-CD1 4.47Å; L424-M487 PolarHBondContact N-O 2.85Å; L424-A488 HydrophobicContact CB-CB 4.23Å; L424-A488 CarbonylContact O-C 3.4Å; L424-A488 WeakPolarHBondContact O-CA 3.14Å; L424-A489 PolarHBondContact O-N 3.45Å
425	V	98.7	Very high	94.7	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	133.5	-175.4	63.9	0	0	0	0	111.3	I436 L440 L446 L450 A451 I452 A489 F491	V425-I436 HydrophobicContact CG1-CG2 3.54Å; V425-I436 HydrophobicContact CG2-CD1 3.91Å; V425-I436 HydrophobicContact CG2-CG1 3.98Å; V425-L440 HydrophobicContact CB-CD1 4.35Å; V425-L440 HydrophobicContact CG1-CD1 4.11Å; V425-L440 HydrophobicContact CG2-CD1 3.99Å; V425-L446 HydrophobicContact CG1-CD2 3.82Å; V425-L450 PolarHBondContact N-O 3.28Å; V425-A451 HydrophobicContact CG1-CB 4.11Å; V425-A451 WeakPolarHBondContact O-CA 3.47Å; V425-I452 PolarHBondContact O-N 3.09Å; V425-A489 CarbonylContact C-O 3.55Å; V425-A489 WeakPolarHBondContact CA-O 3.46Å; V425-A489 HydrophobicContact CG2-CB 4.42Å; V425-F491 HydrophobicContact CG2-CD2 4.3Å; V425-F491 HydrophobicContact CG2-CE2 3.52Å; V425-F491 HydrophobicContact CG2-CZ 4.29Å
426	S	97.9	Very high	95.1	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	129.3	179.2	-177.3	0	0	0	0	111.9	L428 I452 A489 A490 F491	S426-L428 VanDerWaalsContact C-N 3.31Å; S426-L428 WeakPolarHBondContact OG-CD2 3.06Å; S426-L428 PolarHBondContact OG-N 3.31Å; S426-L428 VanDerWaalsContact OG-N 3.14Å; S426-I452 VanDerWaalsContact CA-O 3.29Å; S426-I452 WeakPolarHBondContact CA-O 3.45Å; S426-A489 PolarHBondContact N-O 2.78Å; S426-A490 WeakPolarHBondContact O-CA 3.35Å; S426-F491 PolarHBondContact O-N 2.73Å; S426-F491 VanDerWaalsContact O-N 3.08Å
427	G	96	Very high	95.5	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.162	C	C	.	.			trans	-84.1	-3.6	168.4	0	0	0	0	0	113.8	N429 G430 I452 K453	G427-N429 PolarHBondContact O-N 3.49Å; G427-G430 WeakPolarHBondContact O-CA 3.28Å; G427-G430 PolarHBondContact O-N 3.42Å; G427-I452 PolarHBondContact N-O 3.29Å; G427-K453 CarbonylContact C-O 3.56Å; G427-K453 WeakPolarHBondContact CA-O 3.44Å
428	L	93.9	Very high	95.9	Very high	7 Å²	7	27 Å²	27	4%	0.037	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.2	32.9	-170.9	-61.2	-179.2	0	0	0	113.6	S426 G430 K453 P465 P467 A472 A490 F491	S426-L428 VanDerWaalsContact C-N 3.31Å; S426-L428 WeakPolarHBondContact OG-CD2 3.06Å; S426-L428 PolarHBondContact OG-N 3.31Å; S426-L428 VanDerWaalsContact OG-N 3.14Å; L428-G430 PolarHBondContact O-N 3.05Å; L428-G430 VanDerWaalsContact O-N 3.13Å; L428-K453 HydrophobicContact CD2-CD 4.4Å; L428-K453 PolarHBondContact N-O 3.37Å; L428-P465 HydrophobicContact CB-CB 4.32Å; L428-P467 HydrophobicContact CD1-CB 4.31Å; L428-A472 HydrophobicContact CD2-CB 4.17Å; L428-A490 HydrophobicContact CD1-CB 4.44Å; L428-A490 HydrophobicContact CG-CB 4.46Å; L428-F491 WeakPolarHBondContact CD1-O 3.16Å
429	N	90.9	Very high	96.3	Very high	22 Å²	22	24.6 Å²	24.6	12%	0.118	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.7	18.7	-173.3	-63.4	110.7	0	0	0	114.4	G427 K453 Q455 P456 L457	G427-N429 PolarHBondContact O-N 3.49Å; N429-K453 WeakPolarHBondContact CA-O 3.46Å; N429-K453 PolarHBondContact N-O 3.33Å; N429-Q455 WeakPolarHBondContact CA-O 3.29Å; N429-Q455 PolarHBondContact ND2-O 2.86Å; N429-P456 CarbonylContact O-C 3.42Å; N429-P456 WeakPolarHBondContact O-CA 3.29Å; N429-L457 HydrophobicContact CB-CB 4.15Å; N429-L457 HydrophobicContact CB-CD1 4.08Å; N429-L457 HydrophobicContact CB-CG 4.07Å; N429-L457 PolarHBondContact O-N 3Å
430	G	93	Very high	96.6	Very high	1 Å²	1	17 Å²	17	1%	0.01	9%	0.088	C	C	.	.	S	Bend	trans	-86.9	-174.9	170.6	0	0	0	0	0	113.3	G427 L428 M432 G433	G427-G430 WeakPolarHBondContact O-CA 3.28Å; G427-G430 PolarHBondContact O-N 3.42Å; L428-G430 PolarHBondContact O-N 3.05Å; L428-G430 VanDerWaalsContact O-N 3.13Å; G430-M432 PolarHBondContact O-N 3.04Å; G430-M432 VanDerWaalsContact O-N 3.09Å; G430-G433 PolarHBondContact O-N 3.07Å
431	V	93.8	Very high	96.6	Very high	1 Å²	1	14.5 Å²	14.5	1%	0.006	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-12.1	-172.5	-58.2	0	0	0	0	114.4	R263 I293 G433 P434 Y435 G493	R263-V431 VanDerWaalsContact NH2-CG1 3.27Å; I293-V431 HydrophobicContact CG2-CB 3.94Å; I293-V431 HydrophobicContact CG2-CG1 4Å; V431-G433 PolarHBondContact O-N 3.45Å; V431-P434 WeakPolarHBondContact O-CD 3.02Å; V431-Y435 WeakPolarHBondContact O-CD2 2.97Å; V431-Y435 VanDerWaalsContact O-CE2 3.28Å; V431-Y435 WeakPolarHBondContact O-CE2 3.27Å; V431-G493 WeakPolarHBondContact CG2-O 3.18Å; V431-G493 PolarHBondContact N-O 2.87Å
432	M	96	Very high	96.6	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-71	-12.9	-179.1	-70.9	-53.9	-66	0	0	114	G430 Y435 I436 F491 G495 L596	G430-M432 PolarHBondContact O-N 3.04Å; G430-M432 VanDerWaalsContact O-N 3.09Å; M432-Y435 HydrophobicContact CE-CG 4.22Å; M432-Y435 WeakPolarHBondContact O-CB 3.41Å; M432-Y435 PolarHBondContact O-N 2.78Å; M432-Y435 VanDerWaalsContact O-N 3.1Å; M432-Y435 HydrophobicContact SD-CD2 4Å; M432-Y435 HydrophobicContact SD-CG 4.24Å; M432-I436 HydrophobicContact CB-CD1 4.42Å; M432-I436 WeakPolarHBondContact O-CG1 3.39Å; M432-I436 PolarHBondContact O-N 3.43Å; M432-F491 HydrophobicContact CB-CB 3.89Å; M432-F491 HydrophobicContact CB-CD2 3.89Å; M432-F491 HydrophobicContact CB-CG 4.08Å; M432-F491 HydrophobicContact CE-CG 4.44Å; M432-F491 HydrophobicContact CG-CB 3.6Å; M432-F491 HydrophobicContact CG-CD2 4.24Å; M432-F491 HydrophobicContact CG-CG 3.93Å; M432-G495 WeakPolarHBondContact SD-CA 3.37Å; M432-L596 HydrophobicContact CE-CB 3.54Å; M432-L596 HydrophobicContact CE-CD2 3.84Å; M432-L596 HydrophobicContact CE-CG 4.26Å
433	G	94.7	Very high	96.7	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-46.7	-62.5	176.7	0	0	0	0	0	115.3	G430 V431 Y435 I436 H437 S454	G430-G433 PolarHBondContact O-N 3.07Å; V431-G433 PolarHBondContact O-N 3.45Å; G433-Y435 PolarHBondContact O-N 3.01Å; G433-I436 WeakPolarHBondContact O-CB 3.14Å; G433-I436 PolarHBondContact O-N 2.95Å; G433-I436 VanDerWaalsContact O-N 3.16Å; G433-H437 PolarHBondContact O-CD2 3.17Å; G433-H437 PolarHBondContact O-N 3.06Å; G433-H437 VanDerWaalsContact O-N 3.09Å; G433-S454 CarbonylContact C-O 3.25Å; G433-S454 WeakPolarHBondContact CA-O 3.35Å
434	P	94.2	Very high	96.6	Very high	42 Å²	42	16 Å²	16	27%	0.273	8%	0.084	S	C	.	.	H	α-helix	trans	-55.6	-34.6	175.9	-30.1	36.3	0	0	0	114.4	V392 V431 E438 P456	V392-P434 HydrophobicContact CG2-CB 3.59Å; V431-P434 WeakPolarHBondContact O-CD 3.02Å; P434-E438 WeakPolarHBondContact O-CB 3.07Å; P434-E438 PolarHBondContact O-N 3.23Å; P434-P456 HydrophobicContact CG-CG 4.11Å
435	Y	98.2	Very high	96.6	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-72.1	-38.4	178.8	-58.4	-95.7	0	0	0	112	L294 S295 A298 S391 V392 Y395 V431 M432 G433 I439	L294-Y435 WeakPolarHBondContact CA-OH 3.46Å; S295-Y435 PolarHBondContact N-OH 3Å; A298-Y435 HydrophobicContact CB-CE1 3.79Å; A298-Y435 WeakPolarHBondContact CB-OH 3.3Å; S391-Y435 WeakPolarHBondContact O-CE1 3.46Å; S391-Y435 PolarHBondContact O-OH 3.05Å; V392-Y435 HydrophobicContact CB-CD1 4.29Å; V392-Y435 HydrophobicContact CB-CE1 4.32Å; V392-Y435 HydrophobicContact CG1-CD1 3.79Å; V392-Y435 HydrophobicContact CG1-CE1 4.26Å; V392-Y435 HydrophobicContact CG1-CG 4.31Å; V392-Y435 HydrophobicContact CG2-CD1 4.08Å; V392-Y435 HydrophobicContact CG2-CD2 4.33Å; V392-Y435 HydrophobicContact CG2-CE1 4.11Å; V392-Y435 HydrophobicContact CG2-CE2 4.4Å; V392-Y435 HydrophobicContact CG2-CG 4.18Å; Y395-Y435 AromaticContact CD1-CD1 3.72Å; Y395-Y435 HydrophobicContact CD1-CD1 3.72Å; Y395-Y435 AromaticContact CD1-CE1 3.99Å; Y395-Y435 HydrophobicContact CD1-CE1 3.99Å; Y395-Y435 HydrophobicContact CE1-CD1 4.2Å; Y395-Y435 HydrophobicContact CG-CD1 4.43Å; Y395-Y435 HydrophobicContact CG-CE1 4.25Å; V431-Y435 WeakPolarHBondContact O-CD2 2.97Å; V431-Y435 VanDerWaalsContact O-CE2 3.28Å; V431-Y435 WeakPolarHBondContact O-CE2 3.27Å; M432-Y435 HydrophobicContact CE-CG 4.22Å; M432-Y435 WeakPolarHBondContact O-CB 3.41Å; M432-Y435 PolarHBondContact O-N 2.78Å; M432-Y435 VanDerWaalsContact O-N 3.1Å; M432-Y435 HydrophobicContact SD-CD2 4Å; M432-Y435 HydrophobicContact SD-CG 4.24Å; G433-Y435 PolarHBondContact O-N 3.01Å; Y435-I439 VanDerWaalsContact O-CB 3.3Å; Y435-I439 WeakPolarHBondContact O-CB 3.4Å; Y435-I439 PolarHBondContact O-N 3.32Å
436	I	98.4	Very high	96.6	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	10%	0.1	C	C	.	.	I	π-helix	trans	-59.5	-50.3	172.8	-71.8	162.3	0	0	0	109.9	V425 M432 G433 L440 C441 A451 F491	V425-I436 HydrophobicContact CG1-CG2 3.54Å; V425-I436 HydrophobicContact CG2-CD1 3.91Å; V425-I436 HydrophobicContact CG2-CG1 3.98Å; M432-I436 HydrophobicContact CB-CD1 4.42Å; M432-I436 WeakPolarHBondContact O-CG1 3.39Å; M432-I436 PolarHBondContact O-N 3.43Å; G433-I436 WeakPolarHBondContact O-CB 3.14Å; G433-I436 PolarHBondContact O-N 2.95Å; G433-I436 VanDerWaalsContact O-N 3.16Å; I436-L440 HydrophobicContact CG1-CD1 4.4Å; I436-L440 HydrophobicContact CG2-CD1 4.33Å; I436-L440 WeakPolarHBondContact O-CA 3.37Å; I436-L440 VanDerWaalsContact O-CB 3.26Å; I436-L440 WeakPolarHBondContact O-CB 3.46Å; I436-L440 PolarHBondContact O-N 3.23Å; I436-C441 PolarHBondContact O-N 3.21Å; I436-C441 VanDerWaalsContact O-N 3.12Å; I436-A451 HydrophobicContact CG2-CB 3.57Å; I436-F491 HydrophobicContact CD1-CD2 3.98Å; I436-F491 HydrophobicContact CD1-CE2 4.01Å; I436-F491 HydrophobicContact CG1-CD2 4.26Å; I436-F491 HydrophobicContact CG1-CE2 3.86Å
437	H	97.3	Very high	96.4	Very high	62 Å²	62	21.5 Å²	21.5	29%	0.287	12%	0.12	S	C	.	.	I	π-helix	trans	-64	-48.2	-178.3	-84	-77.4	0	0	0	111.7	G433 C441 N442 S454	G433-H437 PolarHBondContact O-CD2 3.17Å; G433-H437 PolarHBondContact O-N 3.06Å; G433-H437 VanDerWaalsContact O-N 3.09Å; H437-C441 VanDerWaalsContact O-CB 3.26Å; H437-C441 WeakPolarHBondContact O-CB 3.42Å; H437-C441 PolarHBondContact O-N 3.22Å; H437-N442 VanDerWaalsContact O-CG 3.31Å; H437-N442 PolarHBondContact O-N 3.19Å; H437-S454 PolarHBondContact NE2-OG 2.81Å
438	E	97.8	Very high	96.3	Very high	60 Å²	60	24.6 Å²	24.6	28%	0.28	14%	0.142	S	C	.	.	I	π-helix	trans	-70.3	-49	-177.8	-179.8	51.4	-153.5	0	0	112.6	V392 A396 P434 N442 Q443	V392-E438 HydrophobicContact CB-CB 4.49Å; V392-E438 HydrophobicContact CG1-CB 3.67Å; V392-E438 HydrophobicContact CG1-CG 3.73Å; A396-E438 HydrophobicContact CB-CG 4.34Å; P434-E438 WeakPolarHBondContact O-CB 3.07Å; P434-E438 PolarHBondContact O-N 3.23Å; E438-N442 WeakPolarHBondContact O-CB 3.38Å; E438-N442 PolarHBondContact OE2-ND2 2.74Å; E438-Q443 VanDerWaalsContact O-CG 3.28Å; E438-Q443 WeakPolarHBondContact O-CG 3.34Å; E438-Q443 PolarHBondContact O-N 2.88Å; E438-Q443 PolarHBondContact OE1-NE2 3.37Å
439	I	98.6	Very high	96.3	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	18%	0.175	C	C	.	.	I	π-helix	trans	-83.3	-53.3	-172	-62.5	165.8	0	0	0	110.6	Y395 A396 M399 F405 Y435 Q443 L444 L596	Y395-I439 HydrophobicContact CD1-CD1 3.84Å; Y395-I439 HydrophobicContact CE1-CD1 3.81Å; A396-I439 HydrophobicContact CB-CD1 3.83Å; A396-I439 HydrophobicContact CB-CG1 3.59Å; M399-I439 HydrophobicContact CG-CD1 4.47Å; F405-I439 HydrophobicContact CE2-CG2 4.11Å; F405-I439 HydrophobicContact CZ-CG2 3.87Å; Y435-I439 VanDerWaalsContact O-CB 3.3Å; Y435-I439 WeakPolarHBondContact O-CB 3.4Å; Y435-I439 PolarHBondContact O-N 3.32Å; I439-Q443 WeakPolarHBondContact O-CB 3.3Å; I439-L444 HydrophobicContact CG2-CD1 4.15Å; I439-L444 WeakPolarHBondContact O-CB 3.48Å; I439-L444 VanDerWaalsContact O-CG 3.26Å; I439-L444 WeakPolarHBondContact O-CG 3.32Å; I439-L444 PolarHBondContact O-N 2.91Å; I439-L596 HydrophobicContact CB-CD2 4.4Å; I439-L596 HydrophobicContact CD1-CD2 3.57Å
440	L	98.7	Very high	96.6	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.177	C	C	.	.	I	π-helix	trans	-77.2	-45	-174.2	-55.1	179.1	0	0	0	111.4	L423 V425 I436 L444 G445 L446 L596 L599 L600 L603	L423-L440 HydrophobicContact CD2-CD1 4.44Å; V425-L440 HydrophobicContact CB-CD1 4.35Å; V425-L440 HydrophobicContact CG1-CD1 4.11Å; V425-L440 HydrophobicContact CG2-CD1 3.99Å; I436-L440 HydrophobicContact CG1-CD1 4.4Å; I436-L440 HydrophobicContact CG2-CD1 4.33Å; I436-L440 WeakPolarHBondContact O-CA 3.37Å; I436-L440 VanDerWaalsContact O-CB 3.26Å; I436-L440 WeakPolarHBondContact O-CB 3.46Å; I436-L440 PolarHBondContact O-N 3.23Å; L440-L444 HydrophobicContact CD2-CD1 3.99Å; L440-L444 CarbonylContact O-C 3.46Å; L440-L444 WeakPolarHBondContact O-CB 3.48Å; L440-G445 PolarHBondContact O-N 2.94Å; L440-L446 HydrophobicContact CB-CB 4.23Å; L440-L446 HydrophobicContact CB-CD2 3.91Å; L440-L446 HydrophobicContact CD1-CD2 4.43Å; L440-L446 WeakPolarHBondContact O-CB 3.03Å; L440-L446 PolarHBondContact O-N 3.27Å; L440-L596 HydrophobicContact CD1-CD1 4.29Å; L440-L596 HydrophobicContact CD2-CD1 4.09Å; L440-L596 HydrophobicContact CG-CD1 4.27Å; L440-L599 HydrophobicContact CD1-CD2 3.88Å; L440-L599 HydrophobicContact CD2-CD2 4.42Å; L440-L600 HydrophobicContact CD2-CD2 4.3Å; L440-L603 HydrophobicContact CD2-CD1 4.4Å
441	C	98.2	Very high	96.7	Very high	11 Å²	11	32.6 Å²	32.6	7%	0.074	18%	0.181	C	C	.	.	I	π-helix	trans	-83.1	-60	-175.6	-49	0	0	0	0	111.7	I436 H437 G445 L446	I436-C441 PolarHBondContact O-N 3.21Å; I436-C441 VanDerWaalsContact O-N 3.12Å; H437-C441 VanDerWaalsContact O-CB 3.26Å; H437-C441 WeakPolarHBondContact O-CB 3.42Å; H437-C441 PolarHBondContact O-N 3.22Å; C441-G445 WeakPolarHBondContact O-CA 3.45Å; C441-G445 PolarHBondContact O-N 2.73Å; C441-L446 WeakPolarHBondContact CA-O 3.34Å; C441-L446 WeakPolarHBondContact CB-O 3.47Å
442	N	97.7	Very high	96.8	Very high	107 Å²	107	34.1 Å²	34.1	57%	0.572	19%	0.189	S	C	*	.	I	π-helix	trans	-70.9	-49.9	-173.3	-60.8	-21.6	0	0	0	112.4	H437 E438	H437-N442 VanDerWaalsContact O-CG 3.31Å; H437-N442 PolarHBondContact O-N 3.19Å; E438-N442 WeakPolarHBondContact O-CB 3.38Å; E438-N442 PolarHBondContact OE2-ND2 2.74Å
443	Q	98.5	Very high	96.5	Very high	21 Å²	21	37.6 Å²	37.6	10%	0.098	20%	0.204	C	C	.	.	I	π-helix	trans	-81.6	-42.3	-174.8	-64.6	-178.2	26.2	0	0	112.8	R400 F405 E438 I439	R400-Q443 VanDerWaalsContact CZ-OE1 3.29Å; F405-Q443 HydrophobicContact CD2-CB 4.38Å; F405-Q443 HydrophobicContact CE2-CB 4.24Å; E438-Q443 VanDerWaalsContact O-CG 3.28Å; E438-Q443 WeakPolarHBondContact O-CG 3.34Å; E438-Q443 PolarHBondContact O-N 2.88Å; E438-Q443 PolarHBondContact OE1-NE2 3.37Å; I439-Q443 WeakPolarHBondContact O-CB 3.3Å
444	L	98.6	Very high	96.4	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.1	-5.3	-175.8	-62.7	171	0	0	0	114.5	F405 I408 K409 L412 I439 L440 L600	F405-L444 HydrophobicContact CB-CD2 3.79Å; F405-L444 HydrophobicContact CD1-CD2 4.18Å; F405-L444 HydrophobicContact CD2-CD2 3.55Å; F405-L444 HydrophobicContact CD2-CG 4.06Å; F405-L444 HydrophobicContact CE2-CD1 4.48Å; F405-L444 HydrophobicContact CE2-CD2 4.12Å; F405-L444 HydrophobicContact CE2-CG 4.17Å; F405-L444 HydrophobicContact CG-CD2 3.58Å; F405-L444 HydrophobicContact CG-CG 4.49Å; F405-L444 WeakPolarHBondContact O-CD2 3.28Å; I408-L444 HydrophobicContact CB-CD2 4Å; I408-L444 HydrophobicContact CG2-CD1 3.84Å; I408-L444 HydrophobicContact CG2-CD2 3.9Å; I408-L444 HydrophobicContact CG2-CG 4.36Å; K409-L444 WeakPolarHBondContact CA-O 3.36Å; K409-L444 HydrophobicContact CB-CD2 4.32Å; K409-L444 WeakPolarHBondContact CG-O 3.5Å; L412-L444 HydrophobicContact CD1-CB 3.81Å; I439-L444 HydrophobicContact CG2-CD1 4.15Å; I439-L444 WeakPolarHBondContact O-CB 3.48Å; I439-L444 VanDerWaalsContact O-CG 3.26Å; I439-L444 WeakPolarHBondContact O-CG 3.32Å; I439-L444 PolarHBondContact O-N 2.91Å; L440-L444 HydrophobicContact CD2-CD1 3.99Å; L440-L444 CarbonylContact O-C 3.46Å; L440-L444 WeakPolarHBondContact O-CB 3.48Å; L444-L600 HydrophobicContact CD1-CD2 3.73Å
445	G	97.5	Very high	95.9	Very high	29 Å²	29	39.1 Å²	39.1	30%	0.299	21%	0.209	S	C	.	.			trans	78.5	18.9	171.5	0	0	0	0	0	115.5	L440 C441 N447	L440-G445 PolarHBondContact O-N 2.94Å; C441-G445 WeakPolarHBondContact O-CA 3.45Å; C441-G445 PolarHBondContact O-N 2.73Å; G445-N447 PolarHBondContact O-N 2.92Å
446	L	98.1	Very high	95.5	Very high	9 Å²	9	39.2 Å²	39.2	5%	0.047	21%	0.21	C	C	.	.			trans	-60.1	136.2	169.7	-173	64	0	0	0	110	L412 L423 V425 L440 C441 S448 L450	L412-L446 HydrophobicContact CD1-CB 4.19Å; L423-L446 HydrophobicContact CB-CD1 3.96Å; L423-L446 HydrophobicContact CD2-CD2 4.35Å; V425-L446 HydrophobicContact CG1-CD2 3.82Å; L440-L446 HydrophobicContact CB-CB 4.23Å; L440-L446 HydrophobicContact CB-CD2 3.91Å; L440-L446 HydrophobicContact CD1-CD2 4.43Å; L440-L446 WeakPolarHBondContact O-CB 3.03Å; L440-L446 PolarHBondContact O-N 3.27Å; C441-L446 WeakPolarHBondContact CA-O 3.34Å; C441-L446 WeakPolarHBondContact CB-O 3.47Å; L446-S448 PolarHBondContact O-N 3.43Å; L446-L450 HydrophobicContact CD1-CB 4.45Å; L446-L450 HydrophobicContact CD1-CD1 3.9Å; L446-L450 HydrophobicContact CG-CB 4.48Å
447	N	93.5	Very high	94.8	Very high	79 Å²	79	39.9 Å²	39.9	42%	0.422	21%	0.214	S	C	.	.			trans	-60	123	170.6	-179.7	-4.4	0	0	0	109.2	G445 E449 L450	G445-N447 PolarHBondContact O-N 2.92Å; N447-E449 PolarHBondContact ND2-OE2 3.01Å; N447-E449 PolarHBondContact O-N 2.82Å; N447-E449 WeakPolarHBondContact OD1-CB 3.27Å; N447-E449 WeakPolarHBondContact OD1-CG 3.34Å; N447-E449 PolarHBondContact OD1-N 2.91Å; N447-L450 HydrophobicContact CB-CD1 4.3Å; N447-L450 HydrophobicContact CB-CG 4.37Å; N447-L450 WeakPolarHBondContact O-CB 3.13Å; N447-L450 PolarHBondContact O-N 2.85Å
448	S	93.8	Very high	93.8	Very high	66 Å²	66	38 Å²	38	46%	0.462	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	-61.2	-22.3	-179.7	54.3	0	0	0	0	113.4	L446 L450 A451	L446-S448 PolarHBondContact O-N 3.43Å; S448-L450 PolarHBondContact O-N 2.75Å; S448-A451 WeakPolarHBondContact O-CB 3.42Å; S448-A451 PolarHBondContact O-N 3.37Å
449	E	94.3	Very high	92.9	Very high	156 Å²	156	37.9 Å²	37.9	73%	0.729	21%	0.206	S	C	*	.	G	3₁₀ helix	trans	-64.6	-20.5	172.1	-63.7	176.8	154.2	0	0	113	N447 A451	N447-E449 PolarHBondContact ND2-OE2 3.01Å; N447-E449 PolarHBondContact O-N 2.82Å; N447-E449 WeakPolarHBondContact OD1-CB 3.27Å; N447-E449 WeakPolarHBondContact OD1-CG 3.34Å; N447-E449 PolarHBondContact OD1-N 2.91Å; E449-A451 VanDerWaalsContact C-N 3.32Å
450	L	97.3	Very high	92.3	Very high	30 Å²	30	38.2 Å²	38.2	16%	0.157	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-86.3	-4	174.2	-61	173.9	0	0	0	112.6	K422 L423 L424 V425 L446 N447 S448 L485	K422-L450 HydrophobicContact CB-CD1 4.28Å; K422-L450 HydrophobicContact CG-CD1 4.49Å; L423-L450 VanDerWaalsContact O-CB 3.28Å; L423-L450 WeakPolarHBondContact O-CB 3.5Å; L424-L450 HydrophobicContact CD1-CD2 4.4Å; V425-L450 PolarHBondContact N-O 3.28Å; L446-L450 HydrophobicContact CD1-CB 4.45Å; L446-L450 HydrophobicContact CD1-CD1 3.9Å; L446-L450 HydrophobicContact CG-CB 4.48Å; N447-L450 HydrophobicContact CB-CD1 4.3Å; N447-L450 HydrophobicContact CB-CG 4.37Å; N447-L450 WeakPolarHBondContact O-CB 3.13Å; N447-L450 PolarHBondContact O-N 2.85Å; S448-L450 PolarHBondContact O-N 2.75Å; L450-L485 HydrophobicContact CD2-CD2 3.86Å
451	A	96.5	Very high	91.5	Very high	12 Å²	12	40.1 Å²	40.1	10%	0.099	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	102.3	171.3	0	0	0	0	0	109.7	V425 I436 S448 E449	V425-A451 HydrophobicContact CG1-CB 4.11Å; V425-A451 WeakPolarHBondContact O-CA 3.47Å; I436-A451 HydrophobicContact CG2-CB 3.57Å; S448-A451 WeakPolarHBondContact O-CB 3.42Å; S448-A451 PolarHBondContact O-N 3.37Å; E449-A451 VanDerWaalsContact C-N 3.32Å
452	I	94.3	Very high	90.4	Very high	33 Å²	33	42.6 Å²	42.6	17%	0.169	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	155.4	-178.8	66.8	170.6	0	0	0	110.9	L424 V425 S426 G427 S454 L475 M478	L424-I452 HydrophobicContact CD1-CD1 4.33Å; L424-I452 HydrophobicContact CD1-CG1 4.46Å; L424-I452 HydrophobicContact CD1-CG2 4.01Å; L424-I452 HydrophobicContact CD2-CD1 4.47Å; L424-I452 HydrophobicContact CG-CD1 4.43Å; V425-I452 PolarHBondContact O-N 3.09Å; S426-I452 VanDerWaalsContact CA-O 3.29Å; S426-I452 WeakPolarHBondContact CA-O 3.45Å; G427-I452 PolarHBondContact N-O 3.29Å; I452-S454 PolarHBondContact O-N 2.83Å; I452-L475 HydrophobicContact CD1-CD1 3.86Å; I452-L475 HydrophobicContact CG1-CD1 4.49Å; I452-M478 HydrophobicContact CD1-CE 4.32Å; I452-M478 HydrophobicContact CD1-SD 3.69Å; I452-M478 HydrophobicContact CG2-CE 4.44Å
453	K	89.8	Confident	89.5	Confident	73 Å²	73	39.1 Å²	39.1	32%	0.317	24%	0.244	S	C	.	.	S	Bend	trans	44.6	35.4	-177.4	-60.8	-175	179.8	172	0	112.1	G427 L428 N429 Q455 D474	G427-K453 CarbonylContact C-O 3.56Å; G427-K453 WeakPolarHBondContact CA-O 3.44Å; L428-K453 HydrophobicContact CD2-CD 4.4Å; L428-K453 PolarHBondContact N-O 3.37Å; N429-K453 WeakPolarHBondContact CA-O 3.46Å; N429-K453 PolarHBondContact N-O 3.33Å; K453-Q455 VanDerWaalsContact C-N 3.28Å; K453-D474 WeakPolarHBondContact CE-OD2 2.93Å; K453-D474 IonicContact NZ-OD1 3.36Å; K453-D474 PolarHBondContact NZ-OD1 2.74Å; K453-D474 VanDerWaalsContact NZ-OD1 3.13Å; K453-D474 IonicContact NZ-OD2 3.22Å; K453-D474 PolarHBondContact NZ-OD2 3.05Å
454	S	92.3	Very high	88.8	Confident	17 Å²	17	40 Å²	40	12%	0.119	25%	0.248	C	C	.	.			trans	-94.8	14.1	-174	63.6	0	0	0	0	111.7	G433 H437 I452	G433-S454 CarbonylContact C-O 3.25Å; G433-S454 WeakPolarHBondContact CA-O 3.35Å; H437-S454 PolarHBondContact NE2-OG 2.81Å; I452-S454 PolarHBondContact O-N 2.83Å
455	Q	85.2	Confident	88.5	Confident	57 Å²	57	40 Å²	40	27%	0.266	25%	0.248	S	C	.	.	S	Bend	trans	-105.5	117.2	173.3	-178.1	51.7	51.7	0	0	107.9	S252 I256 N429 K453 L457	S252-Q455 PolarHBondContact OG-OE1 3.42Å; I256-Q455 HydrophobicContact CG1-CG 4.46Å; N429-Q455 WeakPolarHBondContact CA-O 3.29Å; N429-Q455 PolarHBondContact ND2-O 2.86Å; K453-Q455 VanDerWaalsContact C-N 3.28Å; Q455-L457 HydrophobicContact CG-CD2 4.29Å; Q455-L457 PolarHBondContact O-N 2.89Å
456	P	89.2	Confident	88.3	Confident	2 Å²	2	39 Å²	39	1%	0.013	24%	0.236	C	C	.	.			trans	-56.3	130.7	172.2	-27.1	34.3	0	0	0	111.5	D261 I293 N429 P434	D261-P456 WeakPolarHBondContact O-CB 3.4Å; I293-P456 HydrophobicContact CD1-CB 4.31Å; I293-P456 HydrophobicContact CD1-CG 4.26Å; N429-P456 CarbonylContact O-C 3.42Å; N429-P456 WeakPolarHBondContact O-CA 3.29Å; P434-P456 HydrophobicContact CG-CG 4.11Å
457	L	83.1	Confident	88.1	Confident	14 Å²	14	38.5 Å²	38.5	7%	0.073	23%	0.234	C	C	.	.			trans	-132.6	143.1	176.7	-60.8	-178.6	0	0	0	111.5	R259 G262 N429 Q455 D459 F460	R259-L457 HydrophobicContact CB-CD2 3.95Å; R259-L457 VanDerWaalsContact CD-CD2 3.49Å; R259-L457 HydrophobicContact CG-CD2 4.38Å; G262-L457 CarbonylContact C-O 3.54Å; G262-L457 VanDerWaalsContact C-O 3.31Å; G262-L457 WeakPolarHBondContact CA-O 3.49Å; G262-L457 CarbonylContact O-C 3.56Å; N429-L457 HydrophobicContact CB-CB 4.15Å; N429-L457 HydrophobicContact CB-CD1 4.08Å; N429-L457 HydrophobicContact CB-CG 4.07Å; N429-L457 PolarHBondContact O-N 3Å; Q455-L457 HydrophobicContact CG-CD2 4.29Å; Q455-L457 PolarHBondContact O-N 2.89Å; L457-D459 PolarHBondContact O-N 3.07Å; L457-F460 PolarHBondContact O-N 3.44Å
458	E	77	Confident	88.1	Confident	23 Å²	23	34.8 Å²	34.8	11%	0.107	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.5	-30.3	-174.3	-81	178.2	-177.9	0	0	116.9	R132 R259 G260 Y264 G322	R132-E458 IonicContact NH1-OE2 3.97Å; R132-E458 PolarHBondContact NH1-OE2 3.03Å; R259-E458 WeakPolarHBondContact O-CB 3.38Å; R259-E458 WeakPolarHBondContact O-CG 3.29Å; R259-E458 PolarHBondContact O-N 2.92Å; G260-E458 VanDerWaalsContact CA-OE1 3.27Å; G260-E458 WeakPolarHBondContact CA-OE1 3.37Å; Y264-E458 PolarHBondContact N-O 3.45Å; G322-E458 PolarHBondContact N-O 2.61Å
459	D	78.8	Confident	88.1	Confident	56 Å²	56	34.6 Å²	34.6	30%	0.299	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118.1	15.3	-176.3	66.5	-7.4	0	0	0	112.1	L457 G461 G462	L457-D459 PolarHBondContact O-N 3.07Å; D459-G461 PolarHBondContact O-N 3.2Å; D459-G461 WeakPolarHBondContact OD1-CA 3.46Å; D459-G461 PolarHBondContact OD1-N 3.49Å; D459-G462 VanDerWaalsContact CG-N 3.34Å; D459-G462 WeakPolarHBondContact O-CA 3.12Å; D459-G462 PolarHBondContact O-N 3.19Å; D459-G462 PolarHBondContact OD1-N 3.46Å; D459-G462 PolarHBondContact OD2-N 2.99Å
460	F	86.8	Confident	87.9	Confident	7 Å²	7	30 Å²	30	3%	0.031	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	54.5	32.1	-173.5	-47.7	-66.9	0	0	0	113.4	A316 N319 L457 G462 G463 P465	A316-F460 HydrophobicContact CB-CE2 3.91Å; A316-F460 HydrophobicContact CB-CZ 4.16Å; N319-F460 WeakPolarHBondContact O-CE2 3.4Å; L457-F460 PolarHBondContact O-N 3.44Å; F460-G462 VanDerWaalsContact C-N 3.31Å; F460-G463 PolarHBondContact O-N 2.86Å; F460-P465 HydrophobicContact CB-CB 4.06Å; F460-P465 HydrophobicContact CB-CG 4.32Å; F460-P465 HydrophobicContact CD1-CB 3.97Å; F460-P465 HydrophobicContact CD1-CG 4.13Å; F460-P465 HydrophobicContact CD2-CB 4.04Å; F460-P465 HydrophobicContact CD2-CG 3.43Å; F460-P465 VanDerWaalsContact CD2-CG 3.43Å; F460-P465 HydrophobicContact CE1-CB 4.42Å; F460-P465 HydrophobicContact CE1-CG 4.3Å; F460-P465 HydrophobicContact CE2-CB 4.48Å; F460-P465 HydrophobicContact CE2-CG 3.62Å; F460-P465 HydrophobicContact CG-CB 3.75Å; F460-P465 HydrophobicContact CG-CG 3.69Å; F460-P465 HydrophobicContact CZ-CG 4.05Å
461	G	82	Confident	87.4	Confident	40 Å²	40	31.6 Å²	31.6	41%	0.412	19%	0.194	S	C	.	.	G	3₁₀ helix	trans	74.2	22.2	-176.2	0	0	0	0	0	113.5	D459 G463	D459-G461 PolarHBondContact O-N 3.2Å; D459-G461 WeakPolarHBondContact OD1-CA 3.46Å; D459-G461 PolarHBondContact OD1-N 3.49Å; G461-G463 PolarHBondContact O-N 2.94Å
462	G	74.4	Confident	87.2	Confident	63 Å²	63	31 Å²	31	65%	0.649	19%	0.19	S	C	*	.	G	3₁₀ helix	trans	74.3	11.6	-174	0	0	0	0	0	113.8	D459 F460	D459-G462 VanDerWaalsContact CG-N 3.34Å; D459-G462 WeakPolarHBondContact O-CA 3.12Å; D459-G462 PolarHBondContact O-N 3.19Å; D459-G462 PolarHBondContact OD1-N 3.46Å; D459-G462 PolarHBondContact OD2-N 2.99Å; F460-G462 VanDerWaalsContact C-N 3.31Å
463	G	78.5	Confident	87	Confident	35 Å²	35	31.8 Å²	31.8	36%	0.361	20%	0.201	S	C	.	.	S	Bend	trans	-100.3	175.5	-178.5	0	0	0	0	0	113.7	F460 G461	F460-G463 PolarHBondContact O-N 2.86Å; G461-G463 PolarHBondContact O-N 2.94Å
464	H	84.6	Confident	87.1	Confident	38 Å²	38	31 Å²	31	18%	0.176	20%	0.2	C	C	.	.			trans	-95.3	116.4	170.3	-164.1	-48.4	0	0	0	108.7	H318 P320 D466 Y471	H318-H464 PolarHBondContact O-CE1 3.12Å; H318-H464 PolarHBondContact O-ND1 3.15Å; P320-H464 HydrophobicContact CG-CB 4.27Å; H464-D466 WeakPolarHBondContact ND1-CB 3.22Å; H464-D466 PolarHBondContact ND1-N 2.87Å; H464-D466 PolarHBondContact O-N 3.23Å; H464-D466 VanDerWaalsContact O-N 3.09Å; H464-Y471 HydrophobicContact CB-CD1 3.71Å; H464-Y471 HydrophobicContact CB-CD2 3.97Å; H464-Y471 HydrophobicContact CB-CE1 4.06Å; H464-Y471 HydrophobicContact CB-CE2 4.29Å; H464-Y471 HydrophobicContact CB-CG 3.67Å; H464-Y471 AromaticContact CD2-CD2 3.98Å; H464-Y471 AromaticContact CD2-CE1 3.9Å; H464-Y471 AromaticContact CD2-CE2 3.46Å; H464-Y471 VanDerWaalsContact CD2-CE2 3.46Å; H464-Y471 WeakPolarHBondContact CD2-CE2 3.07Å; H464-Y471 AromaticContact CD2-CZ 3.41Å; H464-Y471 VanDerWaalsContact CD2-CZ 3.41Å; H464-Y471 AromaticContact CE1-CE2 3.71Å; H464-Y471 AromaticContact CG-CD2 3.6Å; H464-Y471 AromaticContact CG-CE2 3.59Å; H464-Y471 AromaticContact CG-CG 3.85Å; H464-Y471 AromaticContact CG-CZ 3.84Å; H464-Y471 AromaticContact ND1-CD2 3.64Å; H464-Y471 AromaticContact ND1-CE2 3.75Å; H464-Y471 AromaticContact NE2-CE2 3.56Å; H464-Y471 AromaticContact NE2-CZ 3.85Å
465	P	91.8	Very high	87.3	Confident	1 Å²	1	30.1 Å²	30.1	1%	0.006	19%	0.194	C	C	.	.			trans	-87.3	40	-173.8	40.7	-42.6	0	0	0	111.8	H318 N319 L428 F460 D492 G493	H318-P465 CarbonylContact O-C 3.58Å; H318-P465 WeakPolarHBondContact O-CD 3.13Å; H318-P465 WeakPolarHBondContact O-CG 3.28Å; N319-P465 WeakPolarHBondContact O-CD 3.42Å; N319-P465 VanDerWaalsContact O-CG 3.32Å; N319-P465 WeakPolarHBondContact O-CG 3.37Å; L428-P465 HydrophobicContact CB-CB 4.32Å; F460-P465 HydrophobicContact CB-CB 4.06Å; F460-P465 HydrophobicContact CB-CG 4.32Å; F460-P465 HydrophobicContact CD1-CB 3.97Å; F460-P465 HydrophobicContact CD1-CG 4.13Å; F460-P465 HydrophobicContact CD2-CB 4.04Å; F460-P465 HydrophobicContact CD2-CG 3.43Å; F460-P465 VanDerWaalsContact CD2-CG 3.43Å; F460-P465 HydrophobicContact CE1-CB 4.42Å; F460-P465 HydrophobicContact CE1-CG 4.3Å; F460-P465 HydrophobicContact CE2-CB 4.48Å; F460-P465 HydrophobicContact CE2-CG 3.62Å; F460-P465 HydrophobicContact CG-CB 3.75Å; F460-P465 HydrophobicContact CG-CG 3.69Å; F460-P465 HydrophobicContact CZ-CG 4.05Å; P465-D492 WeakPolarHBondContact O-CA 3.28Å; P465-D492 WeakPolarHBondContact O-CB 3.45Å; P465-G493 PolarHBondContact O-N 3.16Å
466	D	92.4	Very high	87.8	Confident	7 Å²	7	28.8 Å²	28.8	4%	0.037	19%	0.19	C	C	.	.			trans	-100.9	120.3	173.8	-174.8	44.3	0	0	0	108.7	H318 H464 N468 Y471 R497	H318-D466 HydrophobicContact CB-CB 3.85Å; H318-D466 IonicContact CD2-OD1 3.79Å; H318-D466 IonicContact CG-OD1 3.26Å; H318-D466 PolarHBondContact O-N 3.22Å; H464-D466 WeakPolarHBondContact ND1-CB 3.22Å; H464-D466 PolarHBondContact ND1-N 2.87Å; H464-D466 PolarHBondContact O-N 3.23Å; H464-D466 VanDerWaalsContact O-N 3.09Å; D466-N468 VanDerWaalsContact C-N 3.32Å; D466-N468 PolarHBondContact O-N 3.35Å; D466-N468 PolarHBondContact OD2-ND2 3.12Å; D466-Y471 HydrophobicContact CB-CD2 3.97Å; D466-Y471 WeakPolarHBondContact O-CB 3.48Å; D466-R497 IonicContact OD1-CZ 2.81Å; D466-R497 IonicContact OD1-NH1 2.85Å; D466-R497 PolarHBondContact OD1-NH1 3.03Å
467	P	95.4	Very high	88.2	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	22%	0.222	C	C	.	.			trans	-76.7	86.2	-173.3	31.4	-36.5	0	0	0	109.2	L428 A490 D492 R497 M499 F583	L428-P467 HydrophobicContact CD1-CB 4.31Å; P467-A490 HydrophobicContact CB-CB 3.73Å; P467-D492 HydrophobicContact CG-CB 4.05Å; P467-R497 HydrophobicContact CG-CB 3.81Å; P467-M499 HydrophobicContact CB-CB 3.87Å; P467-M499 WeakPolarHBondContact O-CB 3.42Å; P467-F583 WeakPolarHBondContact O-CD2 3.26Å; P467-F583 WeakPolarHBondContact O-CE2 3.21Å
468	N	93.6	Very high	88.9	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	24%	0.237	C	C	.	.	S	Bend	trans	-139.7	169.9	174	70.7	51.4	0	0	0	110.5	D466 T470 Y471 A472 M499 F583	D466-N468 VanDerWaalsContact C-N 3.32Å; D466-N468 PolarHBondContact O-N 3.35Å; D466-N468 PolarHBondContact OD2-ND2 3.12Å; N468-T470 PolarHBondContact O-N 3.37Å; N468-T470 VanDerWaalsContact O-N 3.12Å; N468-T470 WeakPolarHBondContact OD1-CA 3.43Å; N468-T470 WeakPolarHBondContact OD1-CB 3.38Å; N468-T470 PolarHBondContact OD1-N 3.46Å; N468-Y471 WeakPolarHBondContact ND2-CD2 3.39Å; N468-Y471 PolarHBondContact O-N 2.83Å; N468-Y471 PolarHBondContact OD1-N 3.06Å; N468-A472 WeakPolarHBondContact O-CB 3.32Å; N468-A472 PolarHBondContact O-N 3.09Å; N468-M499 VanDerWaalsContact C-SD 3.52Å; N468-M499 VanDerWaalsContact CA-SD 3.59Å; N468-F583 HydrophobicContact CB-CE2 3.81Å; N468-F583 HydrophobicContact CB-CZ 4.27Å
469	L	93.3	Very high	89.8	Confident	62 Å²	62	37.7 Å²	37.7	33%	0.325	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-21.9	-176.2	-64.2	177.5	0	0	0	113.7	V476 M499 I501 F507	L469-V476 HydrophobicContact CD2-CG2 3.74Å; L469-M499 HydrophobicContact CD2-SD 4.04Å; L469-M499 HydrophobicContact CG-SD 4.41Å; L469-I501 HydrophobicContact CD2-CD1 4.06Å; L469-F507 HydrophobicContact CD1-CB 4.43Å; L469-F507 HydrophobicContact CD1-CD1 4.09Å; L469-F507 HydrophobicContact CD1-CD2 4.07Å; L469-F507 HydrophobicContact CD1-CE1 4.34Å; L469-F507 HydrophobicContact CD1-CE2 4.32Å; L469-F507 HydrophobicContact CD1-CG 3.94Å; L469-F507 HydrophobicContact CD1-CZ 4.45Å; L469-F507 HydrophobicContact CD2-CB 4.48Å; L469-F507 HydrophobicContact CD2-CD2 3.69Å; L469-F507 HydrophobicContact CD2-CE2 4.15Å; L469-F507 HydrophobicContact CD2-CG 4.2Å; L469-F507 HydrophobicContact CG-CD2 3.98Å; L469-F507 HydrophobicContact CG-CE2 4.05Å; L469-F507 HydrophobicContact CG-CG 4.36Å; L469-F507 HydrophobicContact CG-CZ 4.5Å
470	T	89.8	Confident	90.8	Very high	61 Å²	61	38.9 Å²	38.9	37%	0.374	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-49.8	-179.6	-51.9	0	0	0	0	111.1	N468 A473	N468-T470 PolarHBondContact O-N 3.37Å; N468-T470 VanDerWaalsContact O-N 3.12Å; N468-T470 WeakPolarHBondContact OD1-CA 3.43Å; N468-T470 WeakPolarHBondContact OD1-CB 3.38Å; N468-T470 PolarHBondContact OD1-N 3.46Å; T470-A473 WeakPolarHBondContact O-CB 3.33Å
471	Y	86.4	Confident	91.2	Very high	63 Å²	63	42.6 Å²	42.6	25%	0.247	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.3	-23.4	-172.4	-58.9	-46.8	0	0	0	113.9	H464 D466 N468 A473 E640 V770	H464-Y471 HydrophobicContact CB-CD1 3.71Å; H464-Y471 HydrophobicContact CB-CD2 3.97Å; H464-Y471 HydrophobicContact CB-CE1 4.06Å; H464-Y471 HydrophobicContact CB-CE2 4.29Å; H464-Y471 HydrophobicContact CB-CG 3.67Å; H464-Y471 AromaticContact CD2-CD2 3.98Å; H464-Y471 AromaticContact CD2-CE1 3.9Å; H464-Y471 AromaticContact CD2-CE2 3.46Å; H464-Y471 VanDerWaalsContact CD2-CE2 3.46Å; H464-Y471 WeakPolarHBondContact CD2-CE2 3.07Å; H464-Y471 AromaticContact CD2-CZ 3.41Å; H464-Y471 VanDerWaalsContact CD2-CZ 3.41Å; H464-Y471 AromaticContact CE1-CE2 3.71Å; H464-Y471 AromaticContact CG-CD2 3.6Å; H464-Y471 AromaticContact CG-CE2 3.59Å; H464-Y471 AromaticContact CG-CG 3.85Å; H464-Y471 AromaticContact CG-CZ 3.84Å; H464-Y471 AromaticContact ND1-CD2 3.64Å; H464-Y471 AromaticContact ND1-CE2 3.75Å; H464-Y471 AromaticContact NE2-CE2 3.56Å; H464-Y471 AromaticContact NE2-CZ 3.85Å; D466-Y471 HydrophobicContact CB-CD2 3.97Å; D466-Y471 WeakPolarHBondContact O-CB 3.48Å; N468-Y471 WeakPolarHBondContact ND2-CD2 3.39Å; N468-Y471 PolarHBondContact O-N 2.83Å; N468-Y471 PolarHBondContact OD1-N 3.06Å; Y471-A473 VanDerWaalsContact C-N 3.31Å; Y471-E640 PolarHBondContact OH-OE1 2.97Å; Y471-E640 PolarHBondContact OH-OE2 3.5Å; Y471-V770 HydrophobicContact CE2-CG2 3.79Å
472	A	93.2	Very high	92	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.8	29.8	168.8	0	0	0	0	0	112.1	L428 N468 D474 L475 V476 A490 M499	L428-A472 HydrophobicContact CD2-CB 4.17Å; N468-A472 WeakPolarHBondContact O-CB 3.32Å; N468-A472 PolarHBondContact O-N 3.09Å; A472-D474 PolarHBondContact O-N 3.02Å; A472-L475 HydrophobicContact CB-CB 4.41Å; A472-L475 WeakPolarHBondContact O-CB 3.33Å; A472-L475 PolarHBondContact O-N 3.08Å; A472-L475 VanDerWaalsContact O-N 3.11Å; A472-V476 WeakPolarHBondContact O-CG2 3.48Å; A472-V476 PolarHBondContact O-N 3.27Å; A472-V476 VanDerWaalsContact O-N 3.08Å; A472-A490 HydrophobicContact CB-CB 4.35Å; A472-M499 HydrophobicContact CB-CE 3.65Å
473	A	90.3	Very high	92.9	Very high	48 Å²	48	43.8 Å²	43.8	40%	0.397	26%	0.26	S	S	.	.	H	α-helix	trans	-58.1	-32.3	-174.5	0	0	0	0	0	113.7	T470 Y471 V476 Q477	T470-A473 WeakPolarHBondContact O-CB 3.33Å; Y471-A473 VanDerWaalsContact C-N 3.31Å; A473-V476 WeakPolarHBondContact O-CB 3.18Å; A473-V476 PolarHBondContact O-N 3.24Å; A473-Q477 WeakPolarHBondContact O-CB 3.35Å; A473-Q477 PolarHBondContact O-N 3.1Å
474	D	91	Very high	93.8	Very high	56 Å²	56	44.4 Å²	44.4	30%	0.299	26%	0.258	S	S	.	.	H	α-helix	trans	-68.4	-42	176.6	63.7	-30.1	0	0	0	112.3	K453 A472 V476 Q477 M478	K453-D474 WeakPolarHBondContact CE-OD2 2.93Å; K453-D474 IonicContact NZ-OD1 3.36Å; K453-D474 PolarHBondContact NZ-OD1 2.74Å; K453-D474 VanDerWaalsContact NZ-OD1 3.13Å; K453-D474 IonicContact NZ-OD2 3.22Å; K453-D474 PolarHBondContact NZ-OD2 3.05Å; A472-D474 PolarHBondContact O-N 3.02Å; D474-V476 VanDerWaalsContact C-N 3.32Å; D474-V476 PolarHBondContact O-N 2.92Å; D474-Q477 PolarHBondContact O-N 2.64Å; D474-M478 VanDerWaalsContact O-CG 3.3Å; D474-M478 WeakPolarHBondContact O-CG 3.5Å; D474-M478 PolarHBondContact O-N 3.22Å
475	L	95.7	Very high	94.4	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-58.4	-45.3	170.8	-178.6	77	0	0	0	111.1	L424 I452 A472 Q477 M478 I479 A488 A489 A490 M499	L424-L475 HydrophobicContact CB-CD1 4.41Å; L424-L475 HydrophobicContact CD2-CD1 3.47Å; L424-L475 VanDerWaalsContact CD2-CD1 3.47Å; L424-L475 HydrophobicContact CG-CD1 3.59Å; I452-L475 HydrophobicContact CD1-CD1 3.86Å; I452-L475 HydrophobicContact CG1-CD1 4.49Å; A472-L475 HydrophobicContact CB-CB 4.41Å; A472-L475 WeakPolarHBondContact O-CB 3.33Å; A472-L475 PolarHBondContact O-N 3.08Å; A472-L475 VanDerWaalsContact O-N 3.11Å; L475-Q477 VanDerWaalsContact C-N 3.32Å; L475-Q477 PolarHBondContact O-N 3.07Å; L475-M478 PolarHBondContact O-N 3.21Å; L475-I479 PolarHBondContact O-N 3.27Å; L475-A488 HydrophobicContact CD1-CB 4.1Å; L475-A488 HydrophobicContact CD2-CB 4.2Å; L475-A488 HydrophobicContact CG-CB 4.04Å; L475-A489 WeakPolarHBondContact CD2-O 3.4Å; L475-A490 HydrophobicContact CD2-CB 3.76Å; L475-M499 HydrophobicContact CD2-CE 4.43Å
476	V	96.3	Very high	94.7	Very high	29 Å²	29	43.8 Å²	43.8	18%	0.176	26%	0.259	C	S	.	.	H	α-helix	trans	-58.6	-46.2	176.4	-179.8	0	0	0	0	110.1	L469 A472 A473 D474 M478 I479 V480 I501	L469-V476 HydrophobicContact CD2-CG2 3.74Å; A472-V476 WeakPolarHBondContact O-CG2 3.48Å; A472-V476 PolarHBondContact O-N 3.27Å; A472-V476 VanDerWaalsContact O-N 3.08Å; A473-V476 WeakPolarHBondContact O-CB 3.18Å; A473-V476 PolarHBondContact O-N 3.24Å; D474-V476 VanDerWaalsContact C-N 3.32Å; D474-V476 PolarHBondContact O-N 2.92Å; V476-M478 VanDerWaalsContact C-N 3.32Å; V476-M478 PolarHBondContact O-N 3.4Å; V476-I479 VanDerWaalsContact O-CG2 3.27Å; V476-I479 WeakPolarHBondContact O-CG2 3.34Å; V476-I479 PolarHBondContact O-N 3.45Å; V476-V480 HydrophobicContact CG1-CG2 4.35Å; V476-V480 WeakPolarHBondContact O-CB 3.47Å; V476-V480 VanDerWaalsContact O-CG2 3.25Å; V476-V480 WeakPolarHBondContact O-CG2 3.49Å; V476-V480 PolarHBondContact O-N 3Å; V476-I501 HydrophobicContact CB-CD1 4.31Å; V476-I501 HydrophobicContact CG2-CD1 3.55Å
477	Q	97	Very high	95	Very high	146 Å²	146	43.4 Å²	43.4	68%	0.682	26%	0.257	S	S	*	.	H	α-helix	trans	-63.2	-39.4	-179.1	-142.7	174	31.1	0	0	111.8	A473 D474 L475 V480 A481	A473-Q477 WeakPolarHBondContact O-CB 3.35Å; A473-Q477 PolarHBondContact O-N 3.1Å; D474-Q477 PolarHBondContact O-N 2.64Å; L475-Q477 VanDerWaalsContact C-N 3.32Å; L475-Q477 PolarHBondContact O-N 3.07Å; Q477-V480 PolarHBondContact O-N 3.25Å; Q477-A481 VanDerWaalsContact O-CB 3.24Å; Q477-A481 WeakPolarHBondContact O-CB 3.01Å; Q477-A481 PolarHBondContact O-N 2.94Å
478	M	97.9	Very high	95.2	Very high	79 Å²	79	43.4 Å²	43.4	39%	0.389	26%	0.257	S	S	.	.	H	α-helix	trans	-62.3	-47.2	177.1	-70.7	174.6	75.9	0	0	112.3	L424 I452 D474 L475 V476 V480 A481 D482	L424-M478 HydrophobicContact CD1-CE 4.03Å; L424-M478 HydrophobicContact CD2-CB 3.64Å; L424-M478 HydrophobicContact CD2-CE 3.96Å; L424-M478 HydrophobicContact CD2-CG 4.47Å; L424-M478 HydrophobicContact CD2-SD 4.08Å; I452-M478 HydrophobicContact CD1-CE 4.32Å; I452-M478 HydrophobicContact CD1-SD 3.69Å; I452-M478 HydrophobicContact CG2-CE 4.44Å; D474-M478 VanDerWaalsContact O-CG 3.3Å; D474-M478 WeakPolarHBondContact O-CG 3.5Å; D474-M478 PolarHBondContact O-N 3.22Å; L475-M478 PolarHBondContact O-N 3.21Å; V476-M478 VanDerWaalsContact C-N 3.32Å; V476-M478 PolarHBondContact O-N 3.4Å; M478-V480 VanDerWaalsContact C-N 3.35Å; M478-A481 PolarHBondContact O-N 3.17Å; M478-D482 PolarHBondContact O-N 2.81Å
479	I	97.6	Very high	95.4	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-73.3	-25.3	179.2	-171.1	159.1	0	0	0	113.8	L475 V476 L485 A488 I501 G502	L475-I479 PolarHBondContact O-N 3.27Å; V476-I479 VanDerWaalsContact O-CG2 3.27Å; V476-I479 WeakPolarHBondContact O-CG2 3.34Å; V476-I479 PolarHBondContact O-N 3.45Å; I479-L485 HydrophobicContact CB-CD1 4.38Å; I479-L485 HydrophobicContact CD1-CB 4.49Å; I479-L485 HydrophobicContact CG1-CB 4.16Å; I479-A488 HydrophobicContact CB-CB 4.09Å; I479-A488 HydrophobicContact CD1-CB 3.54Å; I479-A488 VanDerWaalsContact CD1-N 3.26Å; I479-A488 HydrophobicContact CG1-CB 4.41Å; I479-A488 HydrophobicContact CG2-CB 4.18Å; I479-I501 HydrophobicContact CD1-CG2 4.46Å; I479-I501 HydrophobicContact CG2-CB 4.45Å; I479-I501 HydrophobicContact CG2-CG2 3.88Å; I479-G502 VanDerWaalsContact CD1-O 3.28Å; I479-G502 WeakPolarHBondContact CD1-O 3.31Å
480	V	97.8	Very high	95.7	Very high	81 Å²	81	40.5 Å²	40.5	49%	0.491	24%	0.242	S	C	.	.	H	α-helix	trans	-70.7	-41	170.5	169.5	0	0	0	0	110.6	V476 Q477 M478	V476-V480 HydrophobicContact CG1-CG2 4.35Å; V476-V480 WeakPolarHBondContact O-CB 3.47Å; V476-V480 VanDerWaalsContact O-CG2 3.25Å; V476-V480 WeakPolarHBondContact O-CG2 3.49Å; V476-V480 PolarHBondContact O-N 3Å; Q477-V480 PolarHBondContact O-N 3.25Å; M478-V480 VanDerWaalsContact C-N 3.35Å
481	A	97.2	Very high	96.1	Very high	86 Å²	86	37.6 Å²	37.6	71%	0.711	22%	0.224	S	C	*	.	H	α-helix	trans	-79.3	-38.7	-175.4	0	0	0	0	0	113.9	Q477 M478	Q477-A481 VanDerWaalsContact O-CB 3.24Å; Q477-A481 WeakPolarHBondContact O-CB 3.01Å; Q477-A481 PolarHBondContact O-N 2.94Å; M478-A481 PolarHBondContact O-N 3.17Å
482	D	97.2	Very high	96.5	Very high	66 Å²	66	34.6 Å²	34.6	35%	0.353	21%	0.212	S	C	.	.			trans	-99.5	98.3	-179.3	-175.8	-0.1	0	0	0	111.3	M478 S484 L485	M478-D482 PolarHBondContact O-N 2.81Å; D482-S484 VanDerWaalsContact CG-OG 3.3Å; D482-S484 PolarHBondContact O-N 2.92Å; D482-S484 WeakPolarHBondContact OD1-CA 3.3Å; D482-S484 WeakPolarHBondContact OD1-CB 3.22Å; D482-S484 PolarHBondContact OD1-N 3.46Å; D482-S484 PolarHBondContact OD1-OG 2.9Å; D482-S484 PolarHBondContact OD2-OG 3.45Å; D482-S484 VanDerWaalsContact OD2-OG 3.07Å; D482-L485 HydrophobicContact CB-CD1 3.98Å; D482-L485 HydrophobicContact CB-CG 4.03Å; D482-L485 WeakPolarHBondContact O-CB 3.27Å; D482-L485 PolarHBondContact O-N 2.68Å; D482-L485 VanDerWaalsContact O-N 3.11Å
483	S	94.6	Very high	96.5	Very high	62 Å²	62	34.6 Å²	34.6	43%	0.434	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-15.9	175.3	67.9	0	0	0	0	114.4	L485 R503	S483-L485 VanDerWaalsContact C-N 3.33Å; S483-R503 PolarHBondContact O-NE 2.89Å; S483-R503 PolarHBondContact O-NH2 2.98Å
484	S	95.8	Very high	96.8	Very high	47 Å²	47	32.3 Å²	32.3	33%	0.329	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-21.4	177.6	86.3	0	0	0	0	112.9	K422 D482	K422-S484 WeakPolarHBondContact CD-O 3.01Å; K422-S484 PolarHBondContact NZ-OG 2.99Å; K422-S484 VanDerWaalsContact NZ-OG 3.08Å; D482-S484 VanDerWaalsContact CG-OG 3.3Å; D482-S484 PolarHBondContact O-N 2.92Å; D482-S484 WeakPolarHBondContact OD1-CA 3.3Å; D482-S484 WeakPolarHBondContact OD1-CB 3.22Å; D482-S484 PolarHBondContact OD1-N 3.46Å; D482-S484 PolarHBondContact OD1-OG 2.9Å; D482-S484 PolarHBondContact OD2-OG 3.45Å; D482-S484 VanDerWaalsContact OD2-OG 3.07Å
485	L	98.2	Very high	97.1	Very high	6 Å²	6	29.7 Å²	29.7	3%	0.031	18%	0.179	C	C	.	.			trans	-71	127.6	175.4	-63.8	176.8	0	0	0	110.4	K422 L424 L450 I479 D482 S483 R503	K422-L485 HydrophobicContact CB-CD2 4.15Å; L424-L485 HydrophobicContact CB-CD1 4.12Å; L424-L485 HydrophobicContact CB-CD2 4.14Å; L424-L485 HydrophobicContact CD2-CD1 3.78Å; L424-L485 HydrophobicContact CG-CD1 4.47Å; L450-L485 HydrophobicContact CD2-CD2 3.86Å; I479-L485 HydrophobicContact CB-CD1 4.38Å; I479-L485 HydrophobicContact CD1-CB 4.49Å; I479-L485 HydrophobicContact CG1-CB 4.16Å; D482-L485 HydrophobicContact CB-CD1 3.98Å; D482-L485 HydrophobicContact CB-CG 4.03Å; D482-L485 WeakPolarHBondContact O-CB 3.27Å; D482-L485 PolarHBondContact O-N 2.68Å; D482-L485 VanDerWaalsContact O-N 3.11Å; S483-L485 VanDerWaalsContact C-N 3.33Å; L485-R503 WeakPolarHBondContact O-CG 3.11Å
486	A	98.1	Very high	97.1	Very high	20 Å²	20	29.8 Å²	29.8	17%	0.165	18%	0.18	C	C	.	.			trans	-89.9	-30.8	-178.2	0	0	0	0	0	112.3	F421 K422 R503	F421-A486 HydrophobicContact CD1-CB 4.3Å; F421-A486 HydrophobicContact CD2-CB 3.78Å; F421-A486 HydrophobicContact CE1-CB 4.02Å; F421-A486 HydrophobicContact CE2-CB 3.46Å; F421-A486 VanDerWaalsContact CE2-CB 3.46Å; F421-A486 HydrophobicContact CG-CB 4.19Å; F421-A486 HydrophobicContact CZ-CB 3.59Å; K422-A486 PolarHBondContact O-N 2.82Å; A486-R503 PolarHBondContact O-N 3.4Å; A486-R503 VanDerWaalsContact O-N 3.09Å
487	M	98.6	Very high	97.2	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	150.4	-176.6	-175.2	170.5	174	0	0	110.1	F421 K422 L423 L424 L500 I501 L599 W602 L606 V618	F421-M487 HydrophobicContact CE1-CB 3.65Å; F421-M487 HydrophobicContact CE1-SD 4.21Å; F421-M487 HydrophobicContact CZ-CB 3.78Å; F421-M487 HydrophobicContact CZ-SD 4.37Å; K422-M487 PolarHBondContact O-N 3.22Å; L423-M487 WeakPolarHBondContact CA-O 2.91Å; L423-M487 HydrophobicContact CD1-CB 4.08Å; L423-M487 HydrophobicContact CD1-CG 3.92Å; L423-M487 HydrophobicContact CD1-SD 4.38Å; L424-M487 PolarHBondContact N-O 2.85Å; M487-L500 HydrophobicContact CE-CB 4.16Å; M487-L500 HydrophobicContact CE-CD1 3.91Å; M487-L500 HydrophobicContact CE-CD2 3.37Å; M487-L500 HydrophobicContact CE-CG 4Å; M487-I501 CarbonylContact C-O 3.56Å; M487-I501 WeakPolarHBondContact CA-O 3Å; M487-L599 HydrophobicContact CE-CD1 3.75Å; M487-W602 HydrophobicContact CE-CB 4.14Å; M487-L606 HydrophobicContact SD-CD1 3.91Å; M487-V618 HydrophobicContact CB-CG2 4.48Å; M487-V618 HydrophobicContact CE-CG2 4.44Å; M487-V618 HydrophobicContact CG-CG2 4.07Å; M487-V618 HydrophobicContact SD-CG2 3.78Å
488	A	98.7	Very high	97.3	Very high	0 Å²	0	23 Å²	23	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	147.6	168.9	0	0	0	0	0	110.7	L424 L475 I479 I501	L424-A488 HydrophobicContact CB-CB 4.23Å; L424-A488 CarbonylContact O-C 3.4Å; L424-A488 WeakPolarHBondContact O-CA 3.14Å; L475-A488 HydrophobicContact CD1-CB 4.1Å; L475-A488 HydrophobicContact CD2-CB 4.2Å; L475-A488 HydrophobicContact CG-CB 4.04Å; I479-A488 HydrophobicContact CB-CB 4.09Å; I479-A488 HydrophobicContact CD1-CB 3.54Å; I479-A488 VanDerWaalsContact CD1-N 3.26Å; I479-A488 HydrophobicContact CG1-CB 4.41Å; I479-A488 HydrophobicContact CG2-CB 4.18Å; A488-I501 HydrophobicContact CB-CB 4.38Å; A488-I501 PolarHBondContact N-O 2.85Å; A488-I501 PolarHBondContact O-N 3.4Å
489	A	98.8	Very high	97.3	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	145.9	175.8	0	0	0	0	0	111.4	L423 L424 V425 S426 L475 M499 L500 L599	L423-A489 HydrophobicContact CD1-CB 4.27Å; L424-A489 PolarHBondContact O-N 3.45Å; V425-A489 CarbonylContact C-O 3.55Å; V425-A489 WeakPolarHBondContact CA-O 3.46Å; V425-A489 HydrophobicContact CG2-CB 4.42Å; S426-A489 PolarHBondContact N-O 2.78Å; L475-A489 WeakPolarHBondContact CD2-O 3.4Å; A489-M499 VanDerWaalsContact CA-O 3.24Å; A489-M499 WeakPolarHBondContact CA-O 3.14Å; A489-L500 HydrophobicContact CB-CD2 3.71Å; A489-L599 HydrophobicContact CB-CD1 3.95Å; A489-L599 HydrophobicContact CB-CD2 4.12Å
490	A	98.5	Very high	97.3	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	148	171.7	0	0	0	0	0	110.2	S426 L428 P467 A472 L475 N498 M499	S426-A490 WeakPolarHBondContact O-CA 3.35Å; L428-A490 HydrophobicContact CD1-CB 4.44Å; L428-A490 HydrophobicContact CG-CB 4.46Å; P467-A490 HydrophobicContact CB-CB 3.73Å; A472-A490 HydrophobicContact CB-CB 4.35Å; L475-A490 HydrophobicContact CD2-CB 3.76Å; A490-N498 CarbonylContact O-C 3.56Å; A490-N498 VanDerWaalsContact O-CA 3.23Å; A490-N498 WeakPolarHBondContact O-CA 3.49Å; A490-M499 HydrophobicContact CB-CE 4.3Å; A490-M499 PolarHBondContact N-O 2.87Å; A490-M499 VanDerWaalsContact N-O 3.08Å; A490-M499 PolarHBondContact O-N 3.2Å
491	F	98.4	Very high	97.3	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	155.4	170.8	-51	-74.6	0	0	0	111.2	V425 S426 L428 M432 I436 R497 N498 G595 L596 L599	V425-F491 HydrophobicContact CG2-CD2 4.3Å; V425-F491 HydrophobicContact CG2-CE2 3.52Å; V425-F491 HydrophobicContact CG2-CZ 4.29Å; S426-F491 PolarHBondContact O-N 2.73Å; S426-F491 VanDerWaalsContact O-N 3.08Å; L428-F491 WeakPolarHBondContact CD1-O 3.16Å; M432-F491 HydrophobicContact CB-CB 3.89Å; M432-F491 HydrophobicContact CB-CD2 3.89Å; M432-F491 HydrophobicContact CB-CG 4.08Å; M432-F491 HydrophobicContact CE-CG 4.44Å; M432-F491 HydrophobicContact CG-CB 3.6Å; M432-F491 HydrophobicContact CG-CD2 4.24Å; M432-F491 HydrophobicContact CG-CG 3.93Å; I436-F491 HydrophobicContact CD1-CD2 3.98Å; I436-F491 HydrophobicContact CD1-CE2 4.01Å; I436-F491 HydrophobicContact CG1-CD2 4.26Å; I436-F491 HydrophobicContact CG1-CE2 3.86Å; F491-R497 WeakPolarHBondContact CA-O 3.28Å; F491-N498 HydrophobicContact CD1-CB 3.87Å; F491-N498 HydrophobicContact CE1-CB 3.99Å; F491-G595 VanDerWaalsContact CE1-C 3.45Å; F491-G595 WeakPolarHBondContact CE1-O 3.33Å; F491-L596 HydrophobicContact CE1-CB 4.18Å; F491-L596 HydrophobicContact CE1-CD1 4.49Å; F491-L596 HydrophobicContact CZ-CB 4.3Å; F491-L596 HydrophobicContact CZ-CD1 3.84Å; F491-L599 HydrophobicContact CE1-CB 4.35Å; F491-L599 HydrophobicContact CE1-CD2 4.46Å; F491-L599 HydrophobicContact CE2-CD2 4.46Å; F491-L599 HydrophobicContact CZ-CB 4.29Å; F491-L599 HydrophobicContact CZ-CD2 3.64Å
492	D	96.1	Very high	97.3	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	7%	0.071	C	C	.	.			trans	-79.6	179	174.1	77	-36.5	0	0	0	113.1	H318 P465 P467 D494 G495 D496 R497	H318-D492 HydrophobicContact CB-CB 4.19Å; P465-D492 WeakPolarHBondContact O-CA 3.28Å; P465-D492 WeakPolarHBondContact O-CB 3.45Å; P467-D492 HydrophobicContact CG-CB 4.05Å; D492-D494 VanDerWaalsContact C-N 3.25Å; D492-D494 PolarHBondContact O-N 2.92Å; D492-G495 PolarHBondContact O-N 2.96Å; D492-G495 VanDerWaalsContact OD1-CA 3.32Å; D492-G495 WeakPolarHBondContact OD1-CA 3.2Å; D492-G495 PolarHBondContact OD1-N 3Å; D492-D496 PolarHBondContact OD1-N 2.76Å; D492-R497 HydrophobicContact CB-CB 3.97Å; D492-R497 HydrophobicContact CB-CG 4.32Å; D492-R497 PolarHBondContact N-O 3.1Å; D492-R497 PolarHBondContact OD1-N 3.26Å; D492-R497 IonicContact OD2-NE 2.66Å
493	G	93.3	Very high	97.3	Very high	0 Å²	0	14 Å²	14	0%	0	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-28.2	-172.3	0	0	0	0	0	114.8	S317 V431 P465	S317-G493 WeakPolarHBondContact O-CA 3.46Å; S317-G493 PolarHBondContact O-N 3.43Å; V431-G493 WeakPolarHBondContact CG2-O 3.18Å; V431-G493 PolarHBondContact N-O 2.87Å; P465-G493 PolarHBondContact O-N 3.16Å
494	D	95.4	Very high	97.4	Very high	1 Å²	1	16.4 Å²	16.4	1%	0.005	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.7	0.1	175.2	68.6	22.6	0	0	0	115.8	S295 T296 T315 S317 K330 D492 D496	S295-D494 CarbonylContact C-O 3.52Å; S295-D494 VanDerWaalsContact CA-O 3.29Å; S295-D494 WeakPolarHBondContact CA-O 3.39Å; S295-D494 VanDerWaalsContact CB-O 3.29Å; S295-D494 WeakPolarHBondContact CB-O 3.1Å; T296-D494 PolarHBondContact N-O 3.23Å; T296-D494 WeakPolarHBondContact OG1-CB 3.18Å; T296-D494 PolarHBondContact OG1-OD2 3.42Å; T315-D494 HydrophobicContact CG2-CB 4.11Å; T315-D494 VanDerWaalsContact CG2-OD2 3.28Å; T315-D494 WeakPolarHBondContact CG2-OD2 3.26Å; T315-D494 WeakPolarHBondContact OG1-CB 3.39Å; S317-D494 WeakPolarHBondContact CA-OD2 3.37Å; S317-D494 WeakPolarHBondContact CB-OD2 3.48Å; S317-D494 PolarHBondContact OG-OD2 2.8Å; K330-D494 IonicContact NZ-OD2 3.49Å; K330-D494 PolarHBondContact NZ-OD2 3.1Å; D492-D494 VanDerWaalsContact C-N 3.25Å; D492-D494 PolarHBondContact O-N 2.92Å; D494-D496 PolarHBondContact OD1-N 3.27Å
495	G	97.2	Very high	97.4	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.076	C	C	.	.	S	Bend	trans	82.8	8.6	171.1	0	0	0	0	0	115.6	M432 D492 R497 G595	M432-G495 WeakPolarHBondContact SD-CA 3.37Å; D492-G495 PolarHBondContact O-N 2.96Å; D492-G495 VanDerWaalsContact OD1-CA 3.32Å; D492-G495 WeakPolarHBondContact OD1-CA 3.2Å; D492-G495 PolarHBondContact OD1-N 3Å; G495-R497 VanDerWaalsContact C-N 3.33Å; G495-G595 PolarHBondContact O-N 3.15Å; G495-G595 VanDerWaalsContact O-N 3.17Å
496	D	97.3	Very high	97.3	Very high	2 Å²	2	16.9 Å²	16.9	1%	0.011	8%	0.082	C	C	.	.	S	Bend	trans	-85.8	-5.4	179.1	85.8	17.8	0	0	0	112.7	T296 D492 D494 K593	T296-D496 HydrophobicContact CG2-CB 4.12Å; D492-D496 PolarHBondContact OD1-N 2.76Å; D494-D496 PolarHBondContact OD1-N 3.27Å; D496-K593 HydrophobicContact CB-CB 3.97Å; D496-K593 WeakPolarHBondContact O-CB 3.5Å; D496-K593 WeakPolarHBondContact OD1-CE 3.45Å; D496-K593 IonicContact OD1-NZ 3.84Å; D496-K593 WeakPolarHBondContact OD2-CE 3.28Å; D496-K593 IonicContact OD2-NZ 2.65Å; D496-K593 PolarHBondContact OD2-NZ 3.07Å
497	R	97.8	Very high	97.2	Very high	28 Å²	28	18.3 Å²	18.3	11%	0.106	9%	0.085	C	C	.	.			trans	-122.5	155.3	173.8	-54.9	177	-176.6	-168.1	-0.2	113.2	H318 D466 P467 F491 D492 G495 S582 F583	H318-R497 PolarHBondContact CD2-NH1 3.22Å; H318-R497 PolarHBondContact CE1-NH2 2.78Å; H318-R497 VanDerWaalsContact CG-CZ 3.43Å; H318-R497 PolarHBondContact ND1-NH2 3.14Å; H318-R497 PolarHBondContact NE2-NH1 3.39Å; H318-R497 PolarHBondContact NE2-NH2 2.77Å; D466-R497 IonicContact OD1-CZ 2.81Å; D466-R497 IonicContact OD1-NH1 2.85Å; D466-R497 PolarHBondContact OD1-NH1 3.03Å; P467-R497 HydrophobicContact CG-CB 3.81Å; F491-R497 WeakPolarHBondContact CA-O 3.28Å; D492-R497 HydrophobicContact CB-CB 3.97Å; D492-R497 HydrophobicContact CB-CG 4.32Å; D492-R497 PolarHBondContact N-O 3.1Å; D492-R497 PolarHBondContact OD1-N 3.26Å; D492-R497 IonicContact OD2-NE 2.66Å; G495-R497 VanDerWaalsContact C-N 3.33Å; R497-S582 VanDerWaalsContact CD-O 3.29Å; R497-S582 WeakPolarHBondContact CD-O 3.35Å; R497-F583 CarbonylContact C-O 3.58Å; R497-F583 VanDerWaalsContact CA-O 3.23Å; R497-F583 WeakPolarHBondContact CA-O 3.24Å; R497-F583 HydrophobicContact CB-CB 4.08Å; R497-F583 WeakPolarHBondContact CB-O 3.47Å
498	N	98	Very high	97.2	Very high	6 Å²	6	18.4 Å²	18.4	3%	0.032	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	138.4	169.5	72.5	-61.6	0	0	0	114.4	A490 F491 F583 G595 A598	A490-N498 CarbonylContact O-C 3.56Å; A490-N498 VanDerWaalsContact O-CA 3.23Å; A490-N498 WeakPolarHBondContact O-CA 3.49Å; F491-N498 HydrophobicContact CD1-CB 3.87Å; F491-N498 HydrophobicContact CE1-CB 3.99Å; N498-F583 PolarHBondContact N-O 3.03Å; N498-F583 WeakPolarHBondContact O-CB 3.47Å; N498-F583 WeakPolarHBondContact O-CD1 3.46Å; N498-G595 WeakPolarHBondContact CB-O 3.46Å; N498-A598 VanDerWaalsContact OD1-CB 3.28Å; N498-A598 WeakPolarHBondContact OD1-CB 3.39Å
499	M	98.1	Very high	97.1	Very high	1 Å²	1	18.9 Å²	18.9	1%	0.005	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	144.3	166.2	-179.9	177.7	64.9	0	0	110.4	P467 N468 L469 A472 L475 A489 A490 I501 F507 F583	P467-M499 HydrophobicContact CB-CB 3.87Å; P467-M499 WeakPolarHBondContact O-CB 3.42Å; N468-M499 VanDerWaalsContact C-SD 3.52Å; N468-M499 VanDerWaalsContact CA-SD 3.59Å; L469-M499 HydrophobicContact CD2-SD 4.04Å; L469-M499 HydrophobicContact CG-SD 4.41Å; A472-M499 HydrophobicContact CB-CE 3.65Å; L475-M499 HydrophobicContact CD2-CE 4.43Å; A489-M499 VanDerWaalsContact CA-O 3.24Å; A489-M499 WeakPolarHBondContact CA-O 3.14Å; A490-M499 HydrophobicContact CB-CE 4.3Å; A490-M499 PolarHBondContact N-O 2.87Å; A490-M499 VanDerWaalsContact N-O 3.08Å; A490-M499 PolarHBondContact O-N 3.2Å; M499-I501 HydrophobicContact CE-CD1 3.71Å; M499-I501 HydrophobicContact CE-CG1 4.27Å; M499-I501 HydrophobicContact CG-CG1 4.29Å; M499-I501 HydrophobicContact SD-CD1 4.17Å; M499-I501 HydrophobicContact SD-CG1 4.35Å; M499-F507 HydrophobicContact CG-CE2 3.98Å; M499-F507 HydrophobicContact SD-CD2 4.44Å; M499-F507 HydrophobicContact SD-CE2 3.99Å; M499-F583 HydrophobicContact CB-CD1 4.07Å; M499-F583 HydrophobicContact CB-CE1 4.01Å; M499-F583 HydrophobicContact CG-CD1 4.44Å; M499-F583 HydrophobicContact CG-CE1 3.9Å; M499-F583 HydrophobicContact CG-CZ 4.47Å
500	L	97.9	Very high	97.1	Very high	3 Å²	3	19 Å²	19	2%	0.016	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	137	175.9	-60	179.2	0	0	0	111.2	M487 A489 V508 L599 W602	M487-L500 HydrophobicContact CE-CB 4.16Å; M487-L500 HydrophobicContact CE-CD1 3.91Å; M487-L500 HydrophobicContact CE-CD2 3.37Å; M487-L500 HydrophobicContact CE-CG 4Å; A489-L500 HydrophobicContact CB-CD2 3.71Å; L500-V508 PolarHBondContact O-N 3.09Å; L500-L599 HydrophobicContact CD2-CD1 3.87Å; L500-W602 HydrophobicContact CD1-CB 4.21Å; L500-W602 HydrophobicContact CD1-CD2 3.92Å; L500-W602 HydrophobicContact CD1-CG 3.49Å; L500-W602 VanDerWaalsContact CD1-CG 3.49Å; L500-W602 VanDerWaalsContact CD1-NE1 3.26Å
501	I	98.1	Very high	97.1	Very high	1 Å²	1	19 Å²	19	1%	0.005	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	126.5	177.2	-51.9	176.5	0	0	0	107.9	L469 V476 I479 M487 A488 M499 F506 F507	L469-I501 HydrophobicContact CD2-CD1 4.06Å; V476-I501 HydrophobicContact CB-CD1 4.31Å; V476-I501 HydrophobicContact CG2-CD1 3.55Å; I479-I501 HydrophobicContact CD1-CG2 4.46Å; I479-I501 HydrophobicContact CG2-CB 4.45Å; I479-I501 HydrophobicContact CG2-CG2 3.88Å; M487-I501 CarbonylContact C-O 3.56Å; M487-I501 WeakPolarHBondContact CA-O 3Å; A488-I501 HydrophobicContact CB-CB 4.38Å; A488-I501 PolarHBondContact N-O 2.85Å; A488-I501 PolarHBondContact O-N 3.4Å; M499-I501 HydrophobicContact CE-CD1 3.71Å; M499-I501 HydrophobicContact CE-CG1 4.27Å; M499-I501 HydrophobicContact CG-CG1 4.29Å; M499-I501 HydrophobicContact SD-CD1 4.17Å; M499-I501 HydrophobicContact SD-CG1 4.35Å; I501-F506 CarbonylContact C-O 3.57Å; I501-F507 HydrophobicContact CG1-CD2 4.46Å
502	G	98.3	Very high	97.1	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	174.5	170.6	0	0	0	0	0	112.6	I479 G505 F506	I479-G502 VanDerWaalsContact CD1-O 3.28Å; I479-G502 WeakPolarHBondContact CD1-O 3.31Å; G502-G505 PolarHBondContact O-N 3.38Å; G502-F506 PolarHBondContact N-O 2.71Å; G502-F506 PolarHBondContact O-N 3.46Å
503	R	97	Very high	97.2	Very high	118 Å²	118	19.6 Å²	19.6	45%	0.445	9%	0.093	S	C	.	.	G	3₁₀ helix	trans	-44.3	144.7	174.8	-167.4	178.8	-158.9	-177.3	3.3	112.8	S483 L485 A486 G505 F506	S483-R503 PolarHBondContact O-NE 2.89Å; S483-R503 PolarHBondContact O-NH2 2.98Å; L485-R503 WeakPolarHBondContact O-CG 3.11Å; A486-R503 PolarHBondContact O-N 3.4Å; A486-R503 VanDerWaalsContact O-N 3.09Å; R503-G505 PolarHBondContact O-N 2.73Å; R503-G505 VanDerWaalsContact O-N 3.17Å; R503-F506 PolarHBondContact O-N 2.76Å
504	H	95.6	Very high	97.5	Very high	112 Å²	112	19.7 Å²	19.7	52%	0.519	9%	0.093	S	C	.	.	G	3₁₀ helix	trans	59.2	20.9	179.6	-57.4	-61.8	0	0	0	114.7
505	G	95.7	Very high	97.6	Very high	24 Å²	24	19.6 Å²	19.6	25%	0.247	9%	0.093	C	C	.	.	G	3₁₀ helix	trans	84.3	19.4	178.6	0	0	0	0	0	114.5	G502 R503 F507	G502-G505 PolarHBondContact O-N 3.38Å; R503-G505 PolarHBondContact O-N 2.73Å; R503-G505 VanDerWaalsContact O-N 3.17Å; G505-F507 PolarHBondContact O-N 3.38Å
506	F	96.9	Very high	97.7	Very high	39 Å²	39	19.6 Å²	19.6	17%	0.171	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	97.3	176.7	-177	-90.5	0	0	0	110.7	I501 G502 R503 V508 V618 E619 V622 W626	I501-F506 CarbonylContact C-O 3.57Å; G502-F506 PolarHBondContact N-O 2.71Å; G502-F506 PolarHBondContact O-N 3.46Å; R503-F506 PolarHBondContact O-N 2.76Å; F506-V508 HydrophobicContact CD1-CG2 4.28Å; F506-V508 HydrophobicContact CE1-CG2 4.24Å; F506-V618 HydrophobicContact CD1-CG1 4.23Å; F506-E619 HydrophobicContact CD1-CB 4.06Å; F506-E619 HydrophobicContact CD2-CB 4.02Å; F506-E619 HydrophobicContact CD2-CG 3.74Å; F506-E619 HydrophobicContact CE1-CB 4.27Å; F506-E619 HydrophobicContact CE2-CB 4.23Å; F506-E619 HydrophobicContact CE2-CG 3.7Å; F506-E619 HydrophobicContact CG-CB 3.94Å; F506-E619 HydrophobicContact CG-CG 4.2Å; F506-E619 HydrophobicContact CZ-CB 4.35Å; F506-E619 HydrophobicContact CZ-CG 4.12Å; F506-V622 HydrophobicContact CE1-CB 3.8Å; F506-V622 HydrophobicContact CE1-CG1 3.97Å; F506-V622 HydrophobicContact CE1-CG2 3.94Å; F506-V622 HydrophobicContact CZ-CB 3.94Å; F506-V622 HydrophobicContact CZ-CG1 3.81Å; F506-W626 HydrophobicContact CZ-CH2 4.04Å; F506-W626 HydrophobicContact CZ-CZ3 4.25Å
507	F	96.7	Very high	97.8	Very high	49 Å²	49	19.5 Å²	19.5	22%	0.215	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	133.4	-177.7	176.5	-115.9	0	0	0	112	L469 M499 I501 G505 F583 T772	L469-F507 HydrophobicContact CD1-CB 4.43Å; L469-F507 HydrophobicContact CD1-CD1 4.09Å; L469-F507 HydrophobicContact CD1-CD2 4.07Å; L469-F507 HydrophobicContact CD1-CE1 4.34Å; L469-F507 HydrophobicContact CD1-CE2 4.32Å; L469-F507 HydrophobicContact CD1-CG 3.94Å; L469-F507 HydrophobicContact CD1-CZ 4.45Å; L469-F507 HydrophobicContact CD2-CB 4.48Å; L469-F507 HydrophobicContact CD2-CD2 3.69Å; L469-F507 HydrophobicContact CD2-CE2 4.15Å; L469-F507 HydrophobicContact CD2-CG 4.2Å; L469-F507 HydrophobicContact CG-CD2 3.98Å; L469-F507 HydrophobicContact CG-CE2 4.05Å; L469-F507 HydrophobicContact CG-CG 4.36Å; L469-F507 HydrophobicContact CG-CZ 4.5Å; M499-F507 HydrophobicContact CG-CE2 3.98Å; M499-F507 HydrophobicContact SD-CD2 4.44Å; M499-F507 HydrophobicContact SD-CE2 3.99Å; I501-F507 HydrophobicContact CG1-CD2 4.46Å; G505-F507 PolarHBondContact O-N 3.38Å; F507-F583 AromaticContact CE2-CE1 3.94Å; F507-F583 HydrophobicContact CE2-CE1 3.94Å; F507-F583 HydrophobicContact CE2-CZ 4.08Å; F507-F583 AromaticContact CZ-CE1 3.91Å; F507-F583 HydrophobicContact CZ-CE1 3.91Å; F507-F583 AromaticContact CZ-CZ 3.83Å; F507-F583 HydrophobicContact CZ-CZ 3.83Å; F507-T772 WeakPolarHBondContact CE1-OXT 3.46Å; F507-T772 HydrophobicContact CZ-CG2 4.41Å
508	V	97.9	Very high	97.8	Very high	3 Å²	3	18.2 Å²	18.2	2%	0.018	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	116.6	171.1	-173.5	0	0	0	0	108.5	L500 F506 D512 W602 V618 V622	L500-V508 PolarHBondContact O-N 3.09Å; F506-V508 HydrophobicContact CD1-CG2 4.28Å; F506-V508 HydrophobicContact CE1-CG2 4.24Å; V508-D512 HydrophobicContact CG1-CB 4.15Å; V508-W602 HydrophobicContact CG1-CH2 4.39Å; V508-W602 HydrophobicContact CG1-CZ2 3.94Å; V508-V618 HydrophobicContact CG2-CG1 3.31Å; V508-V622 HydrophobicContact CG1-CG2 4.33Å; V508-V622 HydrophobicContact CG2-CG2 4.15Å
509	S	97.3	Very high	97.9	Very high	9 Å²	9	19.3 Å²	19.3	6%	0.063	9%	0.093	C	C	.	.	P	Polyproline II helix	trans	-62.6	149.5	175.7	81	0	0	0	0	110.4	C511 D512 S513	S509-C511 PolarHBondContact O-N 2.87Å; S509-D512 PolarHBondContact O-N 3.36Å; S509-D512 VanDerWaalsContact O-N 3.12Å; S509-D512 WeakPolarHBondContact OG-CB 3.39Å; S509-D512 VanDerWaalsContact OG-CG 3.27Å; S509-D512 PolarHBondContact OG-N 2.8Å; S509-D512 PolarHBondContact OG-OD2 2.75Å; S509-S513 WeakPolarHBondContact O-CB 3.46Å; S509-S513 PolarHBondContact O-N 3.44Å
510	P	97.7	Very high	97.9	Very high	3 Å²	3	21 Å²	21	2%	0.019	10%	0.103	C	C	.	.	H	α-helix	trans	-60.6	-28.3	177	20.6	-29.4	0	0	0	112.3	L514 E581 F583 T772	P510-L514 WeakPolarHBondContact O-CB 3.02Å; P510-L514 PolarHBondContact O-N 2.68Å; P510-L514 VanDerWaalsContact O-N 3.09Å; P510-E581 WeakPolarHBondContact CG-O 3.39Å; P510-F583 HydrophobicContact CB-CD1 4Å; P510-F583 HydrophobicContact CB-CE1 4.44Å; P510-F583 HydrophobicContact CB-CG 4.4Å; P510-F583 HydrophobicContact CG-CD1 4.08Å; P510-F583 HydrophobicContact CG-CE1 4.11Å; P510-F583 HydrophobicContact CG-CG 4.41Å; P510-F583 HydrophobicContact CG-CZ 4.45Å; P510-T772 HydrophobicContact CG-CG2 4.25Å
511	C	98.5	Very high	97.9	Very high	1 Å²	1	20.9 Å²	20.9	1%	0.007	10%	0.102	C	C	.	.	H	α-helix	trans	-68	-45.9	174.7	-55.8	0	0	0	0	112.4	S509 A515 T541 S542	S509-C511 PolarHBondContact O-N 2.87Å; C511-A515 PolarHBondContact O-N 3.16Å; C511-T541 HydrophobicContact CB-CG2 4.3Å; C511-S542 VanDerWaalsContact CB-OG 3.24Å; C511-S542 WeakPolarHBondContact CB-OG 3.42Å; C511-S542 PolarHBondContact SG-N 2.75Å
512	D	98.5	Very high	97.9	Very high	7 Å²	7	26 Å²	26	4%	0.037	13%	0.129	C	C	.	.	H	α-helix	trans	-67.1	-39.9	175.6	-69.4	-56.4	0	0	0	110.9	V508 S509 L514 A515 V516 W626	V508-D512 HydrophobicContact CG1-CB 4.15Å; S509-D512 PolarHBondContact O-N 3.36Å; S509-D512 VanDerWaalsContact O-N 3.12Å; S509-D512 WeakPolarHBondContact OG-CB 3.39Å; S509-D512 VanDerWaalsContact OG-CG 3.27Å; S509-D512 PolarHBondContact OG-N 2.8Å; S509-D512 PolarHBondContact OG-OD2 2.75Å; D512-L514 PolarHBondContact O-N 2.92Å; D512-A515 PolarHBondContact O-N 3.31Å; D512-V516 WeakPolarHBondContact O-CB 3.02Å; D512-V516 VanDerWaalsContact O-CG2 3.29Å; D512-V516 WeakPolarHBondContact O-CG2 3.5Å; D512-V516 PolarHBondContact O-N 3.21Å; D512-W626 PolarHBondContact OD1-NE1 3.07Å
513	S	98.7	Very high	97.9	Very high	5 Å²	5	27.3 Å²	27.3	4%	0.035	14%	0.139	C	C	.	.	H	α-helix	trans	-57.2	-48.5	177.5	-173.9	0	0	0	0	111.5	S509 A515 V516 I517 I585 W602	S509-S513 WeakPolarHBondContact O-CB 3.46Å; S509-S513 PolarHBondContact O-N 3.44Å; S513-A515 PolarHBondContact O-N 3.27Å; S513-V516 PolarHBondContact O-N 3.23Å; S513-I517 VanDerWaalsContact O-CG1 3.3Å; S513-I517 WeakPolarHBondContact O-CG1 3.05Å; S513-I517 PolarHBondContact O-N 3.44Å; S513-I585 WeakPolarHBondContact OG-CD1 3.12Å; S513-W602 PolarHBondContact OG-NE1 3.47Å
514	L	98.8	Very high	98	Very high	1 Å²	1	21.7 Å²	21.7	1%	0.005	12%	0.117	C	C	.	.	H	α-helix	trans	-59.9	-46	175.7	177.7	60.9	0	0	0	112	P510 D512 I517 A518 R537 T541 L545 L577 I585	P510-L514 WeakPolarHBondContact O-CB 3.02Å; P510-L514 PolarHBondContact O-N 2.68Å; P510-L514 VanDerWaalsContact O-N 3.09Å; D512-L514 PolarHBondContact O-N 2.92Å; L514-I517 PolarHBondContact O-N 3.31Å; L514-A518 VanDerWaalsContact O-CB 3.31Å; L514-A518 WeakPolarHBondContact O-CB 3.33Å; L514-A518 PolarHBondContact O-N 3.11Å; L514-R537 HydrophobicContact CD2-CB 4.21Å; L514-T541 HydrophobicContact CD2-CG2 4.2Å; L514-L545 HydrophobicContact CD2-CD2 3.86Å; L514-L545 HydrophobicContact CG-CD1 4.4Å; L514-L545 HydrophobicContact CG-CD2 4.22Å; L514-L577 HydrophobicContact CD1-CD1 4.09Å; L514-L577 HydrophobicContact CD1-CD2 4.31Å; L514-L577 HydrophobicContact CD1-CG 3.91Å; L514-I585 HydrophobicContact CB-CD1 4.08Å; L514-I585 HydrophobicContact CB-CG1 4.38Å; L514-I585 HydrophobicContact CD1-CG2 4.31Å
515	A	98.8	Very high	98.2	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-66.7	-38.9	-179.3	0	0	0	0	0	112.5	C511 D512 S513 A518 D519 A544 V548 H625	C511-A515 PolarHBondContact O-N 3.16Å; D512-A515 PolarHBondContact O-N 3.31Å; S513-A515 PolarHBondContact O-N 3.27Å; A515-A518 PolarHBondContact O-N 2.94Å; A515-D519 PolarHBondContact O-N 2.89Å; A515-A544 HydrophobicContact CB-CB 3.87Å; A515-V548 HydrophobicContact CB-CG2 4.14Å; A515-H625 PolarHBondContact O-CE1 3.46Å
516	V	98.9	Very high	98.3	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-65.6	-46.1	176.3	167.9	0	0	0	0	111	D512 S513 A518 D519 N520 W602 I605 I621 V622 H625	D512-V516 WeakPolarHBondContact O-CB 3.02Å; D512-V516 VanDerWaalsContact O-CG2 3.29Å; D512-V516 WeakPolarHBondContact O-CG2 3.5Å; D512-V516 PolarHBondContact O-N 3.21Å; S513-V516 PolarHBondContact O-N 3.23Å; V516-A518 VanDerWaalsContact C-N 3.28Å; V516-A518 PolarHBondContact O-N 2.92Å; V516-D519 PolarHBondContact O-N 3.34Å; V516-N520 PolarHBondContact O-N 3Å; V516-N520 VanDerWaalsContact O-N 3.15Å; V516-N520 PolarHBondContact O-ND2 2.9Å; V516-W602 HydrophobicContact CB-CH2 4.15Å; V516-W602 HydrophobicContact CB-CZ2 3.89Å; V516-W602 HydrophobicContact CG1-CH2 3.61Å; V516-W602 HydrophobicContact CG1-CZ2 3.68Å; V516-W602 HydrophobicContact CG1-CZ3 4.19Å; V516-W602 HydrophobicContact CG2-CH2 4.31Å; V516-W602 HydrophobicContact CG2-CZ2 4.36Å; V516-I605 HydrophobicContact CG1-CD1 4.27Å; V516-I621 HydrophobicContact CG1-CG2 3.53Å; V516-V622 HydrophobicContact CG2-CG2 4.45Å; V516-H625 HydrophobicContact CG2-CB 3.97Å
517	I	98.9	Very high	98.4	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-60.6	-42.7	175.2	-65.1	168.3	0	0	0	109.8	S513 L514 D519 N520 T521 I524 L577 I585 W597 A601	S513-I517 VanDerWaalsContact O-CG1 3.3Å; S513-I517 WeakPolarHBondContact O-CG1 3.05Å; S513-I517 PolarHBondContact O-N 3.44Å; L514-I517 PolarHBondContact O-N 3.31Å; I517-D519 VanDerWaalsContact C-N 3.33Å; I517-D519 PolarHBondContact O-N 2.95Å; I517-N520 CarbonylContact O-C 3.56Å; I517-N520 PolarHBondContact O-N 2.89Å; I517-N520 VanDerWaalsContact O-N 3.11Å; I517-T521 PolarHBondContact O-N 3.33Å; I517-T521 VanDerWaalsContact O-N 3.11Å; I517-I524 HydrophobicContact CG2-CD1 3.96Å; I517-L577 HydrophobicContact CB-CD2 4.2Å; I517-L577 HydrophobicContact CG2-CD1 4.16Å; I517-L577 HydrophobicContact CG2-CD2 3.67Å; I517-I585 HydrophobicContact CD1-CD1 4.23Å; I517-I585 HydrophobicContact CD1-CG2 4.19Å; I517-W597 HydrophobicContact CG2-CH2 4.26Å; I517-A601 HydrophobicContact CD1-CB 4.14Å; I517-A601 HydrophobicContact CG1-CB 4.24Å; I517-A601 HydrophobicContact CG2-CB 4.15Å
518	A	98.8	Very high	98.4	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-63.1	-34.1	177.4	0	0	0	0	0	113.4	L514 A515 V516 N520 F535 L545 V548 R552 L577	L514-A518 VanDerWaalsContact O-CB 3.31Å; L514-A518 WeakPolarHBondContact O-CB 3.33Å; L514-A518 PolarHBondContact O-N 3.11Å; A515-A518 PolarHBondContact O-N 2.94Å; V516-A518 VanDerWaalsContact C-N 3.28Å; V516-A518 PolarHBondContact O-N 2.92Å; A518-N520 VanDerWaalsContact C-N 3.28Å; A518-F535 HydrophobicContact CB-CD1 3.83Å; A518-F535 HydrophobicContact CB-CE1 3.61Å; A518-F535 HydrophobicContact CB-CZ 4.2Å; A518-L545 HydrophobicContact CB-CD1 3.41Å; A518-L545 VanDerWaalsContact CB-CD1 3.41Å; A518-V548 HydrophobicContact CB-CG1 4.07Å; A518-R552 PolarHBondContact O-NH1 2.66Å; A518-L577 HydrophobicContact CB-CD2 3.79Å
519	D	98.6	Very high	98.5	Very high	29 Å²	29	27 Å²	27	16%	0.155	14%	0.135	C	C	.	.	H	α-helix	trans	-75.5	-20.5	175.9	-168.5	45	0	0	0	112.5	A515 V516 I517 V548 K628 Y629	A515-D519 PolarHBondContact O-N 2.89Å; V516-D519 PolarHBondContact O-N 3.34Å; I517-D519 VanDerWaalsContact C-N 3.33Å; I517-D519 PolarHBondContact O-N 2.95Å; D519-V548 HydrophobicContact CB-CG1 3.97Å; D519-V548 HydrophobicContact CB-CG2 4.39Å; D519-K628 IonicContact OD1-NZ 2.88Å; D519-K628 PolarHBondContact OD1-NZ 2.85Å; D519-K628 IonicContact OD2-NZ 3.56Å; D519-K628 PolarHBondContact OD2-NZ 3.4Å; D519-Y629 HydrophobicContact CB-CE2 4.14Å; D519-Y629 VanDerWaalsContact CG-OH 3.3Å; D519-Y629 PolarHBondContact OD1-OH 3.4Å; D519-Y629 WeakPolarHBondContact OD2-CE2 3.42Å
520	N	98.6	Very high	98.5	Very high	38 Å²	38	30.9 Å²	30.9	20%	0.203	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.6	26.5	-172.6	-65.6	-90.2	0	0	0	113.1	V516 I517 A518 D522 C523 I605	V516-N520 PolarHBondContact O-N 3Å; V516-N520 VanDerWaalsContact O-N 3.15Å; V516-N520 PolarHBondContact O-ND2 2.9Å; I517-N520 CarbonylContact O-C 3.56Å; I517-N520 PolarHBondContact O-N 2.89Å; I517-N520 VanDerWaalsContact O-N 3.11Å; A518-N520 VanDerWaalsContact C-N 3.28Å; N520-D522 PolarHBondContact O-N 2.98Å; N520-C523 WeakPolarHBondContact O-CB 3.26Å; N520-C523 PolarHBondContact O-N 3.49Å; N520-I605 HydrophobicContact CB-CD1 3.63Å; N520-I605 HydrophobicContact CB-CG1 3.69Å; N520-I605 HydrophobicContact CB-CG2 4.35Å
521	T	98.4	Very high	98.4	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-53.9	-30	176.5	57.2	0	0	0	0	112.4	I517 C523 I524 F527 V532 F535 R552	I517-T521 PolarHBondContact O-N 3.33Å; I517-T521 VanDerWaalsContact O-N 3.11Å; T521-C523 PolarHBondContact O-N 3.43Å; T521-C523 VanDerWaalsContact O-N 3.16Å; T521-I524 WeakPolarHBondContact O-CB 3.49Å; T521-I524 PolarHBondContact O-N 2.94Å; T521-F527 HydrophobicContact CG2-CD2 3.8Å; T521-F527 HydrophobicContact CG2-CE2 4.04Å; T521-F527 HydrophobicContact CG2-CG 4.36Å; T521-V532 HydrophobicContact CG2-CG2 4.13Å; T521-F535 HydrophobicContact CG2-CE1 4.06Å; T521-F535 HydrophobicContact CG2-CZ 4.19Å; T521-R552 PolarHBondContact OG1-NH1 2.68Å; T521-R552 PolarHBondContact OG1-NH2 2.91Å
522	D	97.8	Very high	98.4	Very high	107 Å²	107	33.7 Å²	33.7	57%	0.572	18%	0.179	S	C	*	.	G	3₁₀ helix	trans	-69.6	-8.9	-179.7	-56.2	-8.2	0	0	0	112.7	N520 Q528 R552	N520-D522 PolarHBondContact O-N 2.98Å; D522-Q528 PolarHBondContact O-NE2 2.91Å; D522-R552 IonicContact OD1-NH2 3.89Å
523	C	98.5	Very high	98.3	Very high	29 Å²	29	37.8 Å²	37.8	20%	0.196	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-86.7	-9.2	170.1	-60.7	0	0	0	0	112.9	N520 T521 S604 I605 K608	N520-C523 WeakPolarHBondContact O-CB 3.26Å; N520-C523 PolarHBondContact O-N 3.49Å; T521-C523 PolarHBondContact O-N 3.43Å; T521-C523 VanDerWaalsContact O-N 3.16Å; C523-S604 WeakPolarHBondContact O-CB 3.43Å; C523-I605 HydrophobicContact CB-CG1 4.03Å; C523-K608 HydrophobicContact CB-CB 4.18Å; C523-K608 HydrophobicContact CB-CG 4.5Å
524	I	98.7	Very high	98.2	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.196	C	C	.	.	S	Bend	trans	-108.3	116.8	-172.6	-60.1	166.8	0	0	0	108.6	F403 I517 T521 Y526 F527 Q528 A601	F403-I524 HydrophobicContact CD1-CG2 4.01Å; F403-I524 HydrophobicContact CE1-CG1 4.4Å; F403-I524 HydrophobicContact CE1-CG2 3.7Å; I517-I524 HydrophobicContact CG2-CD1 3.96Å; T521-I524 WeakPolarHBondContact O-CB 3.49Å; T521-I524 PolarHBondContact O-N 2.94Å; I524-Y526 VanDerWaalsContact C-N 3.28Å; I524-Y526 PolarHBondContact O-N 2.67Å; I524-F527 HydrophobicContact CB-CD2 3.83Å; I524-F527 HydrophobicContact CB-CE2 4.49Å; I524-F527 HydrophobicContact CD1-CD2 3.89Å; I524-F527 HydrophobicContact CD1-CE2 3.84Å; I524-F527 HydrophobicContact CG1-CD2 4.45Å; I524-F527 HydrophobicContact CG2-CD2 3.92Å; I524-F527 HydrophobicContact CG2-CE2 4.33Å; I524-F527 PolarHBondContact O-N 3.27Å; I524-Q528 PolarHBondContact O-N 3.38Å; I524-Q528 VanDerWaalsContact O-N 3.15Å; I524-A601 HydrophobicContact CD1-CB 3.69Å; I524-A601 HydrophobicContact CG1-CB 4.38Å
525	K	98.7	Very high	98.2	Very high	60 Å²	60	37.5 Å²	37.5	26%	0.261	20%	0.196	S	C	.	.	H	α-helix	trans	-49.4	-46.5	-176.8	176.1	-172.7	171.4	-156.5	0	112.8	T401 L402 F527 Q528 E529	T401-K525 WeakPolarHBondContact O-CE 3.46Å; T401-K525 PolarHBondContact O-NZ 3.48Å; L402-K525 WeakPolarHBondContact O-CB 3.37Å; K525-F527 VanDerWaalsContact C-N 3.32Å; K525-F527 PolarHBondContact O-N 2.66Å; K525-Q528 WeakPolarHBondContact O-CB 3.38Å; K525-Q528 PolarHBondContact O-N 3.02Å; K525-Q528 VanDerWaalsContact O-N 3.07Å; K525-E529 WeakPolarHBondContact CE-OE1 3.42Å; K525-E529 HydrophobicContact CG-CG 4.4Å; K525-E529 WeakPolarHBondContact O-CG 3.15Å; K525-E529 PolarHBondContact O-N 2.81Å
526	Y	98.6	Very high	98.2	Very high	28 Å²	28	37.5 Å²	37.5	11%	0.11	20%	0.196	C	C	.	.	H	α-helix	trans	-53.9	-44.3	178.5	176	-105.9	0	0	0	113.6	L402 I524 E529 N530 D588 H589	L402-Y526 HydrophobicContact CD2-CD2 3.42Å; L402-Y526 VanDerWaalsContact CD2-CD2 3.42Å; L402-Y526 HydrophobicContact CD2-CE2 4.04Å; L402-Y526 HydrophobicContact CD2-CG 3.92Å; L402-Y526 WeakPolarHBondContact O-CB 3.34Å; L402-Y526 PolarHBondContact O-N 2.85Å; I524-Y526 VanDerWaalsContact C-N 3.28Å; I524-Y526 PolarHBondContact O-N 2.67Å; Y526-E529 PolarHBondContact O-N 2.82Å; Y526-N530 VanDerWaalsContact CD2-ND2 3.28Å; Y526-N530 WeakPolarHBondContact CD2-ND2 3.45Å; Y526-N530 HydrophobicContact CE2-CB 4.4Å; Y526-N530 WeakPolarHBondContact CE2-ND2 3.33Å; Y526-N530 WeakPolarHBondContact O-CB 3.49Å; Y526-N530 PolarHBondContact O-N 2.84Å; Y526-N530 PolarHBondContact O-ND2 3.07Å; Y526-D588 WeakPolarHBondContact CE1-OD1 3.16Å; Y526-D588 PolarHBondContact OH-OD1 3.43Å; Y526-H589 HydrophobicContact CE1-CB 4.35Å; Y526-H589 HydrophobicContact CE2-CB 4.43Å
527	F	98.5	Very high	98.2	Very high	7 Å²	7	37.8 Å²	37.8	3%	0.031	20%	0.196	C	C	.	.	H	α-helix	trans	-75.8	-26.8	178.7	-64.9	-48.6	0	0	0	112.9	T521 I524 K525 E529 G531 V532 L577 W597	T521-F527 HydrophobicContact CG2-CD2 3.8Å; T521-F527 HydrophobicContact CG2-CE2 4.04Å; T521-F527 HydrophobicContact CG2-CG 4.36Å; I524-F527 HydrophobicContact CB-CD2 3.83Å; I524-F527 HydrophobicContact CB-CE2 4.49Å; I524-F527 HydrophobicContact CD1-CD2 3.89Å; I524-F527 HydrophobicContact CD1-CE2 3.84Å; I524-F527 HydrophobicContact CG1-CD2 4.45Å; I524-F527 HydrophobicContact CG2-CD2 3.92Å; I524-F527 HydrophobicContact CG2-CE2 4.33Å; I524-F527 PolarHBondContact O-N 3.27Å; K525-F527 VanDerWaalsContact C-N 3.32Å; K525-F527 PolarHBondContact O-N 2.66Å; F527-E529 VanDerWaalsContact C-N 3.33Å; F527-G531 WeakPolarHBondContact O-CA 3.08Å; F527-G531 PolarHBondContact O-N 3.42Å; F527-V532 HydrophobicContact CB-CG2 3.93Å; F527-V532 HydrophobicContact CD1-CG2 3.95Å; F527-V532 HydrophobicContact CG-CG2 4.01Å; F527-L577 HydrophobicContact CZ-CB 4.18Å; F527-W597 AromaticContact CE2-CH2 3.96Å; F527-W597 HydrophobicContact CE2-CH2 3.96Å; F527-W597 AromaticContact CE2-CZ2 3.86Å; F527-W597 HydrophobicContact CE2-CZ2 3.86Å; F527-W597 HydrophobicContact CZ-CH2 4.01Å; F527-W597 AromaticContact CZ-CZ2 3.87Å; F527-W597 HydrophobicContact CZ-CZ2 3.87Å
528	Q	98.2	Very high	98.2	Very high	121 Å²	121	37.8 Å²	37.8	57%	0.565	20%	0.196	S	C	*	.	H	α-helix	trans	-65.1	-39	170.9	-64	173	-20.3	0	0	111.4	D522 I524 K525	D522-Q528 PolarHBondContact O-NE2 2.91Å; I524-Q528 PolarHBondContact O-N 3.38Å; I524-Q528 VanDerWaalsContact O-N 3.15Å; K525-Q528 WeakPolarHBondContact O-CB 3.38Å; K525-Q528 PolarHBondContact O-N 3.02Å; K525-Q528 VanDerWaalsContact O-N 3.07Å
529	E	98.3	Very high	98.1	Very high	122 Å²	122	37.9 Å²	37.9	57%	0.57	20%	0.197	S	C	*	.	H	α-helix	trans	-82.8	-34	-176.3	-68.8	177	170.4	0	0	113.1	K525 Y526 F527	K525-E529 WeakPolarHBondContact CE-OE1 3.42Å; K525-E529 HydrophobicContact CG-CG 4.4Å; K525-E529 WeakPolarHBondContact O-CG 3.15Å; K525-E529 PolarHBondContact O-N 2.81Å; Y526-E529 PolarHBondContact O-N 2.82Å; F527-E529 VanDerWaalsContact C-N 3.33Å
530	N	97.1	Very high	98	Very high	90 Å²	90	36.5 Å²	36.5	48%	0.481	19%	0.19	S	C	.	.	H	α-helix	trans	-109.3	-12	-172.7	-61.8	-84.7	0	0	0	113.7	Y526	Y526-N530 VanDerWaalsContact CD2-ND2 3.28Å; Y526-N530 WeakPolarHBondContact CD2-ND2 3.45Å; Y526-N530 HydrophobicContact CE2-CB 4.4Å; Y526-N530 WeakPolarHBondContact CE2-ND2 3.33Å; Y526-N530 WeakPolarHBondContact O-CB 3.49Å; Y526-N530 PolarHBondContact O-N 2.84Å; Y526-N530 PolarHBondContact O-ND2 3.07Å
531	G	96.8	Very high	98	Very high	34 Å²	34	34.7 Å²	34.7	35%	0.351	18%	0.18	S	C	.	.			trans	75.2	-172.2	-170.9	0	0	0	0	0	112.9	F527	F527-G531 WeakPolarHBondContact O-CA 3.08Å; F527-G531 PolarHBondContact O-N 3.42Å
532	V	98	Very high	98	Very high	30 Å²	30	34.8 Å²	34.8	18%	0.182	18%	0.181	C	C	.	.			trans	-131.8	123.9	179.4	-172.3	0	0	0	0	108.3	T521 F527 F535 M554	T521-V532 HydrophobicContact CG2-CG2 4.13Å; F527-V532 HydrophobicContact CB-CG2 3.93Å; F527-V532 HydrophobicContact CD1-CG2 3.95Å; F527-V532 HydrophobicContact CG-CG2 4.01Å; V532-F535 HydrophobicContact CG1-CE1 3.96Å; V532-F535 HydrophobicContact CG1-CE2 4.15Å; V532-F535 HydrophobicContact CG1-CZ 3.64Å; V532-M554 HydrophobicContact CB-CE 3.89Å; V532-M554 HydrophobicContact CG1-CE 3.71Å; V532-M554 HydrophobicContact CG1-SD 4.39Å; V532-M554 WeakPolarHBondContact O-CE 3.26Å
533	H	96.4	Very high	98	Very high	93 Å²	93	31.6 Å²	31.6	43%	0.431	16%	0.161	S	C	.	.			trans	-86.7	-32.1	-177.1	-64.9	-54.1	0	0	0	113.6	K573 S576 D588	H533-K573 WeakPolarHBondContact CB-O 3.38Å; H533-S576 WeakPolarHBondContact CB-OG 3.44Å; H533-S576 PolarHBondContact CD2-OG 2.81Å; H533-S576 PolarHBondContact N-OG 3.38Å; H533-D588 IonicContact CD2-OD2 3.78Å
534	G	97.8	Very high	98	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.153	C	C	.	.			trans	168.5	179.1	-177.7	0	0	0	0	0	111.2	L574 S576 L577	G534-L574 WeakPolarHBondContact CA-O 3.49Å; G534-S576 PolarHBondContact O-N 2.79Å; G534-L577 PolarHBondContact O-N 3.39Å
535	F	98.7	Very high	98	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	152.8	179.9	-56.3	-85.9	0	0	0	110.9	A518 T521 V532 L545 C549 M554 Q555 C556 Y557 L577	A518-F535 HydrophobicContact CB-CD1 3.83Å; A518-F535 HydrophobicContact CB-CE1 3.61Å; A518-F535 HydrophobicContact CB-CZ 4.2Å; T521-F535 HydrophobicContact CG2-CE1 4.06Å; T521-F535 HydrophobicContact CG2-CZ 4.19Å; V532-F535 HydrophobicContact CG1-CE1 3.96Å; V532-F535 HydrophobicContact CG1-CE2 4.15Å; V532-F535 HydrophobicContact CG1-CZ 3.64Å; F535-L545 HydrophobicContact CB-CD1 4.1Å; F535-L545 HydrophobicContact CB-CD2 4.03Å; F535-L545 HydrophobicContact CB-CG 4.32Å; F535-L545 HydrophobicContact CD1-CD1 4.3Å; F535-L545 HydrophobicContact CG-CD1 4.26Å; F535-C549 VanDerWaalsContact CB-SG 3.59Å; F535-C549 WeakPolarHBondContact CD2-SG 3.28Å; F535-M554 HydrophobicContact CD2-CB 4.14Å; F535-M554 HydrophobicContact CD2-SD 4.41Å; F535-M554 HydrophobicContact CE2-CB 4.04Å; F535-M554 HydrophobicContact CE2-CE 4.05Å; F535-M554 HydrophobicContact CE2-CG 4.36Å; F535-M554 HydrophobicContact CE2-SD 3.52Å; F535-M554 VanDerWaalsContact CE2-SD 3.52Å; F535-M554 HydrophobicContact CZ-SD 4.21Å; F535-Q555 PolarHBondContact N-O 3.38Å; F535-C556 CarbonylContact O-C 3.56Å; F535-C556 WeakPolarHBondContact O-CA 3.41Å; F535-Y557 WeakPolarHBondContact O-CD2 3.39Å; F535-Y557 PolarHBondContact O-N 3.07Å; F535-L577 VanDerWaalsContact CA-O 3.26Å; F535-L577 WeakPolarHBondContact CA-O 3.39Å; F535-L577 HydrophobicContact CD1-CB 3.75Å; F535-L577 HydrophobicContact CD1-CD2 3.97Å; F535-L577 HydrophobicContact CD1-CG 4.16Å; F535-L577 HydrophobicContact CE1-CB 3.98Å; F535-L577 HydrophobicContact CE1-CD2 3.85Å; F535-L577 HydrophobicContact CE1-CG 4.42Å
536	A	98.7	Very high	97.9	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	151.6	174.1	0	0	0	0	0	111.8	Y557 F566 L569 C575 L577 C578 G579	A536-Y557 CarbonylContact C-O 3.49Å; A536-Y557 VanDerWaalsContact CA-O 3.23Å; A536-Y557 WeakPolarHBondContact CA-O 3.4Å; A536-F566 HydrophobicContact CB-CD1 3.54Å; A536-F566 HydrophobicContact CB-CE1 3.57Å; A536-L569 HydrophobicContact CB-CD1 3.97Å; A536-C575 HydrophobicContact CB-CB 4.32Å; A536-C575 VanDerWaalsContact CB-SG 3.55Å; A536-L577 PolarHBondContact N-O 3.38Å; A536-C578 HydrophobicContact CB-CB 3.89Å; A536-C578 WeakPolarHBondContact O-CA 3.22Å; A536-C578 VanDerWaalsContact O-CB 3.25Å; A536-C578 WeakPolarHBondContact O-CB 3.4Å; A536-G579 PolarHBondContact O-N 3.04Å
537	R	98.6	Very high	97.9	Very high	5 Å²	5	30.7 Å²	30.7	2%	0.019	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	154.8	170	63.3	166.8	-177.5	75.1	8.4	110.1	L514 M539 T541 S542 L545 N546 Y557 E558 V559 G579	L514-R537 HydrophobicContact CD2-CB 4.21Å; R537-M539 PolarHBondContact NH1-O 3.22Å; R537-T541 HydrophobicContact CB-CG2 4.01Å; R537-T541 PolarHBondContact NH1-O 3.17Å; R537-T541 VanDerWaalsContact NH1-O 3.07Å; R537-S542 WeakPolarHBondContact CD-O 3.47Å; R537-L545 HydrophobicContact CB-CD2 3.87Å; R537-L545 HydrophobicContact CG-CD2 4.31Å; R537-N546 PolarHBondContact NE-OD1 2.84Å; R537-Y557 PolarHBondContact N-O 3.02Å; R537-E558 IonicContact CZ-OE1 2.74Å; R537-E558 VanDerWaalsContact CZ-OE1 3.23Å; R537-E558 IonicContact NH1-OE1 3.56Å; R537-E558 PolarHBondContact NH1-OE1 2.84Å; R537-E558 IonicContact NH2-OE1 3.47Å; R537-E558 PolarHBondContact NH2-OE1 3.04Å; R537-E558 WeakPolarHBondContact O-CA 3.28Å; R537-V559 PolarHBondContact O-N 2.83Å; R537-G579 WeakPolarHBondContact CA-O 3.29Å
538	S	97.8	Very high	97.9	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	157.2	169.8	78.3	0	0	0	0	109.9	P540 T541 V559 G579 E581	S538-P540 VanDerWaalsContact C-N 3.35Å; S538-P540 WeakPolarHBondContact OG-CD 3.42Å; S538-T541 VanDerWaalsContact O-CB 3.32Å; S538-T541 WeakPolarHBondContact O-CB 3.24Å; S538-T541 PolarHBondContact O-N 2.9Å; S538-T541 VanDerWaalsContact O-N 3.17Å; S538-T541 PolarHBondContact O-OG1 3.37Å; S538-T541 PolarHBondContact OG-OG1 3.01Å; S538-V559 CarbonylContact C-O 3.59Å; S538-V559 VanDerWaalsContact CA-O 3.31Å; S538-V559 WeakPolarHBondContact CA-O 3.19Å; S538-G579 PolarHBondContact N-O 3.22Å; S538-E581 PolarHBondContact OG-OE2 3.28Å; S538-E581 VanDerWaalsContact OG-OE2 3.05Å
539	M	97.1	Very high	97.9	Very high	2 Å²	2	24.7 Å²	24.7	1%	0.01	13%	0.131	C	C	.	.	S	Bend	trans	-55.5	-44.1	-179.7	176.6	-80	-73.3	0	0	112.1	R537 T541 E558 V559 F684 R701 R709 V711	R537-M539 PolarHBondContact NH1-O 3.22Å; M539-T541 PolarHBondContact O-N 2.8Å; M539-E558 HydrophobicContact CB-CG 4.14Å; M539-V559 PolarHBondContact N-O 2.73Å; M539-F684 HydrophobicContact CB-CD1 3.83Å; M539-F684 HydrophobicContact CB-CE1 3.68Å; M539-F684 HydrophobicContact CB-CE2 4.42Å; M539-F684 HydrophobicContact CB-CG 4.3Å; M539-F684 HydrophobicContact CB-CZ 3.99Å; M539-F684 HydrophobicContact CE-CB 4.03Å; M539-F684 HydrophobicContact CE-CD1 4.28Å; M539-F684 HydrophobicContact CE-CG 4.3Å; M539-F684 HydrophobicContact CG-CB 4.29Å; M539-F684 HydrophobicContact CG-CD1 3.75Å; M539-F684 HydrophobicContact CG-CD2 3.87Å; M539-F684 HydrophobicContact CG-CE1 3.99Å; M539-F684 HydrophobicContact CG-CE2 4.06Å; M539-F684 HydrophobicContact CG-CG 3.7Å; M539-F684 HydrophobicContact CG-CZ 4.13Å; M539-R701 HydrophobicContact CE-CG 4.42Å; M539-R701 VanDerWaalsContact SD-CD 3.54Å; M539-R701 HydrophobicContact SD-CG 3.87Å; M539-R709 PolarHBondContact O-NH1 3.05Å; M539-R709 PolarHBondContact O-NH2 2.63Å; M539-V711 HydrophobicContact CE-CG1 3.56Å; M539-V711 HydrophobicContact SD-CB 4.22Å; M539-V711 HydrophobicContact SD-CG1 3.43Å; M539-V711 WeakPolarHBondContact SD-CG1 3.36Å; M539-V711 HydrophobicContact SD-CG2 3.71Å
540	P	97.3	Very high	97.9	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.14	C	C	.	.	S	Bend	trans	-71.2	-25.3	177.8	-18.6	32	0	0	0	114.9	S538 S542 E581 R709 Y727	S538-P540 VanDerWaalsContact C-N 3.35Å; S538-P540 WeakPolarHBondContact OG-CD 3.42Å; P540-S542 PolarHBondContact O-N 3.21Å; P540-E581 HydrophobicContact CB-CG 4.14Å; P540-R709 PolarHBondContact O-NH2 3.03Å; P540-Y727 HydrophobicContact CB-CD1 3.72Å; P540-Y727 HydrophobicContact CB-CD2 4.01Å; P540-Y727 HydrophobicContact CB-CE1 3.53Å; P540-Y727 HydrophobicContact CB-CE2 3.86Å; P540-Y727 HydrophobicContact CB-CG 3.94Å; P540-Y727 HydrophobicContact CG-CE1 4.42Å; P540-Y727 HydrophobicContact CG-CE2 4.17Å
541	T	98.2	Very high	98	Very high	1 Å²	1	26.2 Å²	26.2	1%	0.006	14%	0.141	C	C	.	.	S	Bend	trans	-55.1	135.6	172	-48.9	0	0	0	0	110.7	C511 L514 R537 S538 M539 G579 E580 E581 R709	C511-T541 HydrophobicContact CB-CG2 4.3Å; L514-T541 HydrophobicContact CD2-CG2 4.2Å; R537-T541 HydrophobicContact CB-CG2 4.01Å; R537-T541 PolarHBondContact NH1-O 3.17Å; R537-T541 VanDerWaalsContact NH1-O 3.07Å; S538-T541 VanDerWaalsContact O-CB 3.32Å; S538-T541 WeakPolarHBondContact O-CB 3.24Å; S538-T541 PolarHBondContact O-N 2.9Å; S538-T541 VanDerWaalsContact O-N 3.17Å; S538-T541 PolarHBondContact O-OG1 3.37Å; S538-T541 PolarHBondContact OG-OG1 3.01Å; M539-T541 PolarHBondContact O-N 2.8Å; T541-G579 PolarHBondContact OG1-O 3.19Å; T541-E580 WeakPolarHBondContact OG1-CA 3.22Å; T541-E581 PolarHBondContact OG1-N 2.92Å; T541-R709 PolarHBondContact O-NH2 2.92Å
542	S	98	Very high	98	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.007	14%	0.136	C	C	.	.			trans	-60.2	161.8	-179.2	95.5	0	0	0	0	112.2	C511 R537 P540 A544	C511-S542 VanDerWaalsContact CB-OG 3.24Å; C511-S542 WeakPolarHBondContact CB-OG 3.42Å; C511-S542 PolarHBondContact SG-N 2.75Å; R537-S542 WeakPolarHBondContact CD-O 3.47Å; P540-S542 PolarHBondContact O-N 3.21Å; S542-A544 PolarHBondContact O-N 2.96Å; S542-A544 PolarHBondContact OG-N 2.86Å
543	R	97.5	Very high	97.9	Very high	41 Å²	41	32 Å²	32	16%	0.155	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80	13.5	-179.6	-73.5	165.3	-70.3	165.8	4.5	113.7	L545 N546 Y632 G707 R709 D729	R543-L545 VanDerWaalsContact C-N 3.29Å; R543-L545 PolarHBondContact O-N 3.21Å; R543-N546 HydrophobicContact CB-CB 4.42Å; R543-N546 VanDerWaalsContact O-CB 3.32Å; R543-N546 WeakPolarHBondContact O-CB 3.42Å; R543-N546 PolarHBondContact O-N 2.94Å; R543-Y632 HydrophobicContact CB-CD1 4.46Å; R543-Y632 HydrophobicContact CB-CE1 3.79Å; R543-Y632 HydrophobicContact CB-CE2 3.89Å; R543-Y632 VanDerWaalsContact CB-CZ 3.46Å; R543-Y632 WeakPolarHBondContact CB-OH 3.37Å; R543-Y632 WeakPolarHBondContact O-CE2 3.07Å; R543-G707 PolarHBondContact NH2-O 2.92Å; R543-R709 VanDerWaalsContact NH2-CB 3.33Å; R543-D729 IonicContact CZ-OD1 3.01Å; R543-D729 IonicContact NE-OD1 3.51Å; R543-D729 PolarHBondContact NE-OD1 3.22Å; R543-D729 IonicContact NH2-OD1 3.98Å; R543-D729 PolarHBondContact NH2-OD1 3.43Å
544	A	98.4	Very high	97.9	Very high	4 Å²	4	29.6 Å²	29.6	3%	0.033	16%	0.156	C	C	.	.	H	α-helix	trans	-54.5	-45.1	175.2	0	0	0	0	0	112.1	A515 S542 N546 L547 Y632	A515-A544 HydrophobicContact CB-CB 3.87Å; S542-A544 PolarHBondContact O-N 2.96Å; S542-A544 PolarHBondContact OG-N 2.86Å; A544-N546 VanDerWaalsContact C-N 3.27Å; A544-N546 PolarHBondContact O-N 3.46Å; A544-L547 WeakPolarHBondContact O-CB 3.28Å; A544-L547 PolarHBondContact O-N 3.11Å; A544-L547 VanDerWaalsContact O-N 3.17Å; A544-Y632 HydrophobicContact CB-CD2 4.18Å
545	L	98.7	Very high	97.9	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.005	18%	0.18	C	C	.	.	H	α-helix	trans	-58.6	-36.9	176.5	-179.4	64.4	0	0	0	112.6	L514 A518 F535 R537 R543 L547 V548 C549	L514-L545 HydrophobicContact CD2-CD2 3.86Å; L514-L545 HydrophobicContact CG-CD1 4.4Å; L514-L545 HydrophobicContact CG-CD2 4.22Å; A518-L545 HydrophobicContact CB-CD1 3.41Å; A518-L545 VanDerWaalsContact CB-CD1 3.41Å; F535-L545 HydrophobicContact CB-CD1 4.1Å; F535-L545 HydrophobicContact CB-CD2 4.03Å; F535-L545 HydrophobicContact CB-CG 4.32Å; F535-L545 HydrophobicContact CD1-CD1 4.3Å; F535-L545 HydrophobicContact CG-CD1 4.26Å; R537-L545 HydrophobicContact CB-CD2 3.87Å; R537-L545 HydrophobicContact CG-CD2 4.31Å; R543-L545 VanDerWaalsContact C-N 3.29Å; R543-L545 PolarHBondContact O-N 3.21Å; L545-L547 PolarHBondContact O-N 3.41Å; L545-V548 WeakPolarHBondContact O-CB 3.44Å; L545-V548 PolarHBondContact O-N 3.06Å; L545-V548 VanDerWaalsContact O-N 3.15Å; L545-C549 PolarHBondContact O-N 2.76Å; L545-C549 PolarHBondContact O-SG 3.49Å
546	N	98.3	Very high	97.9	Very high	54 Å²	54	36 Å²	36	29%	0.289	19%	0.189	S	C	.	.	H	α-helix	trans	-59.5	-33.2	-179.5	-66.7	54.3	0	0	0	112.1	R537 R543 A544 K550	R537-N546 PolarHBondContact NE-OD1 2.84Å; R543-N546 HydrophobicContact CB-CB 4.42Å; R543-N546 VanDerWaalsContact O-CB 3.32Å; R543-N546 WeakPolarHBondContact O-CB 3.42Å; R543-N546 PolarHBondContact O-N 2.94Å; A544-N546 VanDerWaalsContact C-N 3.27Å; A544-N546 PolarHBondContact O-N 3.46Å; N546-K550 VanDerWaalsContact O-CB 3.27Å; N546-K550 WeakPolarHBondContact O-CB 3.5Å; N546-K550 PolarHBondContact O-N 2.8Å
547	L	98.2	Very high	97.9	Very high	39 Å²	39	38 Å²	38	20%	0.204	20%	0.197	C	C	.	.	H	α-helix	trans	-68.6	-42.4	179.3	-58.6	175.3	0	0	0	111.3	A544 L545 K550 S551 Y629 Y632 Y731	A544-L547 WeakPolarHBondContact O-CB 3.28Å; A544-L547 PolarHBondContact O-N 3.11Å; A544-L547 VanDerWaalsContact O-N 3.17Å; L545-L547 PolarHBondContact O-N 3.41Å; L547-K550 PolarHBondContact O-N 3.06Å; L547-S551 WeakPolarHBondContact O-CB 3.42Å; L547-S551 PolarHBondContact O-N 2.79Å; L547-Y629 HydrophobicContact CB-CD1 4.27Å; L547-Y629 HydrophobicContact CB-CG 4.42Å; L547-Y629 WeakPolarHBondContact CD1-O 3.13Å; L547-Y632 HydrophobicContact CD1-CD2 3.84Å; L547-Y632 HydrophobicContact CD1-CE2 3.53Å; L547-Y632 HydrophobicContact CD2-CE2 4.39Å; L547-Y632 HydrophobicContact CG-CE2 3.91Å; L547-Y731 HydrophobicContact CD1-CD2 4.14Å; L547-Y731 HydrophobicContact CD1-CE2 3.72Å
548	V	98.6	Very high	97.9	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-62.7	-50.8	174.9	-177.6	0	0	0	0	110.2	A515 A518 D519 L545 K550 S551 R552 Y629	A515-V548 HydrophobicContact CB-CG2 4.14Å; A518-V548 HydrophobicContact CB-CG1 4.07Å; D519-V548 HydrophobicContact CB-CG1 3.97Å; D519-V548 HydrophobicContact CB-CG2 4.39Å; L545-V548 WeakPolarHBondContact O-CB 3.44Å; L545-V548 PolarHBondContact O-N 3.06Å; L545-V548 VanDerWaalsContact O-N 3.15Å; V548-K550 VanDerWaalsContact C-N 3.32Å; V548-K550 PolarHBondContact O-N 2.93Å; V548-S551 PolarHBondContact O-N 3.13Å; V548-S551 VanDerWaalsContact O-N 3.11Å; V548-R552 HydrophobicContact CG1-CG 4.4Å; V548-R552 WeakPolarHBondContact O-CG 3.41Å; V548-R552 PolarHBondContact O-N 3.2Å; V548-Y629 HydrophobicContact CG2-CD2 4.19Å; V548-Y629 HydrophobicContact CG2-CE2 3.94Å
549	C	98.5	Very high	97.8	Very high	2 Å²	2	40.3 Å²	40.3	1%	0.014	21%	0.208	C	C	.	.	H	α-helix	trans	-58	-44.1	179.2	-64.3	0	0	0	0	111.9	F535 L545 S551 R552 S553 M554 C556	F535-C549 VanDerWaalsContact CB-SG 3.59Å; F535-C549 WeakPolarHBondContact CD2-SG 3.28Å; L545-C549 PolarHBondContact O-N 2.76Å; L545-C549 PolarHBondContact O-SG 3.49Å; C549-S551 PolarHBondContact O-N 2.75Å; C549-R552 CarbonylContact O-C 3.5Å; C549-R552 PolarHBondContact O-N 2.87Å; C549-S553 PolarHBondContact O-N 2.58Å; C549-M554 WeakPolarHBondContact CB-O 3.34Å; C549-M554 PolarHBondContact O-N 3.45Å; C549-C556 HydrophobicContact CB-CB 3.69Å
550	K	98	Very high	97.7	Very high	172 Å²	172	40.3 Å²	40.3	75%	0.748	21%	0.208	S	C	*	.	H	α-helix	trans	-60.7	-44.9	175.2	-177.2	179	178.4	-178.8	0	111.8	N546 L547 V548 R552 S553	N546-K550 VanDerWaalsContact O-CB 3.27Å; N546-K550 WeakPolarHBondContact O-CB 3.5Å; N546-K550 PolarHBondContact O-N 2.8Å; L547-K550 PolarHBondContact O-N 3.06Å; V548-K550 VanDerWaalsContact C-N 3.32Å; V548-K550 PolarHBondContact O-N 2.93Å; K550-R552 VanDerWaalsContact C-N 3.3Å; K550-R552 PolarHBondContact O-N 2.92Å; K550-S553 PolarHBondContact O-N 2.85Å
551	S	97.8	Very high	97.5	Very high	72 Å²	72	41.8 Å²	41.8	50%	0.503	22%	0.217	S	C	.	.	H	α-helix	trans	-66.8	-30.7	178.6	-174.5	0	0	0	0	113.3	L547 V548 C549	L547-S551 WeakPolarHBondContact O-CB 3.42Å; L547-S551 PolarHBondContact O-N 2.79Å; V548-S551 PolarHBondContact O-N 3.13Å; V548-S551 VanDerWaalsContact O-N 3.11Å; C549-S551 PolarHBondContact O-N 2.75Å
552	R	96.6	Very high	97	Very high	66 Å²	66	42.8 Å²	42.8	25%	0.249	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-0	177.6	-63.5	-172.8	70.8	177.8	5.1	113.2	A518 T521 D522 V548 C549 K550 M554	A518-R552 PolarHBondContact O-NH1 2.66Å; T521-R552 PolarHBondContact OG1-NH1 2.68Å; T521-R552 PolarHBondContact OG1-NH2 2.91Å; D522-R552 IonicContact OD1-NH2 3.89Å; V548-R552 HydrophobicContact CG1-CG 4.4Å; V548-R552 WeakPolarHBondContact O-CG 3.41Å; V548-R552 PolarHBondContact O-N 3.2Å; C549-R552 CarbonylContact O-C 3.5Å; C549-R552 PolarHBondContact O-N 2.87Å; K550-R552 VanDerWaalsContact C-N 3.3Å; K550-R552 PolarHBondContact O-N 2.92Å; R552-M554 HydrophobicContact CB-CB 4.49Å; R552-M554 HydrophobicContact CB-CG 4Å; R552-M554 HydrophobicContact CB-SD 4.36Å; R552-M554 WeakPolarHBondContact O-CG 3.5Å; R552-M554 PolarHBondContact O-N 3.16Å
553	S	97.3	Very high	96.8	Very high	118 Å²	118	43.1 Å²	43.1	83%	0.825	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.8	40.1	-172.8	-58.7	0	0	0	0	112.9	C549 K550	C549-S553 PolarHBondContact O-N 2.58Å; K550-S553 PolarHBondContact O-N 2.85Å
554	M	97	Very high	96.4	Very high	43 Å²	43	43.8 Å²	43.8	21%	0.212	23%	0.233	C	C	.	.			trans	-113.6	151	-179.4	-65.3	-167.1	73.2	0	0	111.4	V532 F535 C549 R552	V532-M554 HydrophobicContact CB-CE 3.89Å; V532-M554 HydrophobicContact CG1-CE 3.71Å; V532-M554 HydrophobicContact CG1-SD 4.39Å; V532-M554 WeakPolarHBondContact O-CE 3.26Å; F535-M554 HydrophobicContact CD2-CB 4.14Å; F535-M554 HydrophobicContact CD2-SD 4.41Å; F535-M554 HydrophobicContact CE2-CB 4.04Å; F535-M554 HydrophobicContact CE2-CE 4.05Å; F535-M554 HydrophobicContact CE2-CG 4.36Å; F535-M554 HydrophobicContact CE2-SD 3.52Å; F535-M554 VanDerWaalsContact CE2-SD 3.52Å; F535-M554 HydrophobicContact CZ-SD 4.21Å; C549-M554 WeakPolarHBondContact CB-O 3.34Å; C549-M554 PolarHBondContact O-N 3.45Å; R552-M554 HydrophobicContact CB-CB 4.49Å; R552-M554 HydrophobicContact CB-CG 4Å; R552-M554 HydrophobicContact CB-SD 4.36Å; R552-M554 WeakPolarHBondContact O-CG 3.5Å; R552-M554 PolarHBondContact O-N 3.16Å
555	Q	97.1	Very high	96.2	Very high	109 Å²	109	44.2 Å²	44.2	51%	0.509	23%	0.234	S	C	.	.			trans	-69.8	135.4	178.9	-172.1	62.7	16	0	0	110.8	F535 Y557	F535-Q555 PolarHBondContact N-O 3.38Å; Q555-Y557 HydrophobicContact CB-CE2 3.95Å; Q555-Y557 HydrophobicContact CG-CD1 4.46Å; Q555-Y557 HydrophobicContact CG-CD2 3.93Å; Q555-Y557 HydrophobicContact CG-CE1 3.97Å; Q555-Y557 HydrophobicContact CG-CE2 3.35Å; Q555-Y557 HydrophobicContact CG-CG 4.44Å
556	C	98.2	Very high	96.1	Very high	27 Å²	27	44.1 Å²	44.1	18%	0.182	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	112	172.7	-167.3	0	0	0	0	109	F535 C549	F535-C556 CarbonylContact O-C 3.56Å; F535-C556 WeakPolarHBondContact O-CA 3.41Å; C549-C556 HydrophobicContact CB-CB 3.69Å
557	Y	98.4	Very high	95.9	Very high	42 Å²	42	41.9 Å²	41.9	17%	0.165	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	131.2	176.2	-62.3	-89.3	0	0	0	110.5	F535 A536 R537 Q555 L569 L574 P689	F535-Y557 WeakPolarHBondContact O-CD2 3.39Å; F535-Y557 PolarHBondContact O-N 3.07Å; A536-Y557 CarbonylContact C-O 3.49Å; A536-Y557 VanDerWaalsContact CA-O 3.23Å; A536-Y557 WeakPolarHBondContact CA-O 3.4Å; R537-Y557 PolarHBondContact N-O 3.02Å; Q555-Y557 HydrophobicContact CB-CE2 3.95Å; Q555-Y557 HydrophobicContact CG-CD1 4.46Å; Q555-Y557 HydrophobicContact CG-CD2 3.93Å; Q555-Y557 HydrophobicContact CG-CE1 3.97Å; Q555-Y557 HydrophobicContact CG-CE2 3.35Å; Q555-Y557 HydrophobicContact CG-CG 4.44Å; Y557-L569 HydrophobicContact CD1-CD1 4.36Å; Y557-L569 HydrophobicContact CD1-CD2 4.1Å; Y557-L569 HydrophobicContact CD2-CD1 4.27Å; Y557-L569 HydrophobicContact CE1-CD2 4.31Å; Y557-L569 HydrophobicContact CG-CD1 3.85Å; Y557-L569 HydrophobicContact CG-CD2 4.31Å; Y557-L574 HydrophobicContact CE1-CD1 4.49Å; Y557-L574 HydrophobicContact CE2-CB 3.95Å; Y557-L574 VanDerWaalsContact CE2-O 3.29Å; Y557-L574 WeakPolarHBondContact CE2-O 3.3Å; Y557-P689 HydrophobicContact CD1-CG 4.18Å; Y557-P689 HydrophobicContact CE1-CG 3.92Å
558	E	98.2	Very high	95.7	Very high	53 Å²	53	42 Å²	42	25%	0.248	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	119.3	168.1	179.9	175.3	-115.3	0	0	108	R537 M539 F684 Y686 R701 R709	R537-E558 IonicContact CZ-OE1 2.74Å; R537-E558 VanDerWaalsContact CZ-OE1 3.23Å; R537-E558 IonicContact NH1-OE1 3.56Å; R537-E558 PolarHBondContact NH1-OE1 2.84Å; R537-E558 IonicContact NH2-OE1 3.47Å; R537-E558 PolarHBondContact NH2-OE1 3.04Å; R537-E558 WeakPolarHBondContact O-CA 3.28Å; M539-E558 HydrophobicContact CB-CG 4.14Å; E558-F684 HydrophobicContact CG-CE2 4.24Å; E558-F684 HydrophobicContact CG-CZ 3.95Å; E558-F684 WeakPolarHBondContact OE2-CE2 3.39Å; E558-Y686 WeakPolarHBondContact O-CD2 3.38Å; E558-R701 IonicContact OE1-NH1 3.62Å; E558-R701 IonicContact OE2-NH1 3.66Å; E558-R701 PolarHBondContact OE2-NH1 3.22Å; E558-R709 IonicContact OE1-NH1 3.83Å; E558-R709 PolarHBondContact OE1-NH1 2.88Å
559	V	97.4	Very high	95.6	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	163.2	-177.2	-56	0	0	0	0	111	R537 S538 M539 F565 F566 L569 Y686	R537-V559 PolarHBondContact O-N 2.83Å; S538-V559 CarbonylContact C-O 3.59Å; S538-V559 VanDerWaalsContact CA-O 3.31Å; S538-V559 WeakPolarHBondContact CA-O 3.19Å; M539-V559 PolarHBondContact N-O 2.73Å; V559-F565 HydrophobicContact CB-CB 3.79Å; V559-F565 HydrophobicContact CB-CG 4.48Å; V559-F565 HydrophobicContact CG1-CB 4.24Å; V559-F565 HydrophobicContact CG2-CB 3.99Å; V559-F566 HydrophobicContact CG2-CD1 3.67Å; V559-F566 HydrophobicContact CG2-CE1 3.2Å; V559-F566 HydrophobicContact CG2-CE2 4.25Å; V559-F566 HydrophobicContact CG2-CG 4.38Å; V559-F566 HydrophobicContact CG2-CZ 3.55Å; V559-L569 HydrophobicContact CG1-CD1 3.76Å; V559-Y686 HydrophobicContact CB-CE2 4.26Å; V559-Y686 HydrophobicContact CG1-CE2 3.75Å
560	P	94.8	Very high	95.5	Very high	1 Å²	1	42 Å²	42	1%	0.006	22%	0.224	C	C	.	.			trans	-64.3	162.3	170.4	-16.1	30	0	0	0	111.5	G562 F565 F684 Y686 Q698	P560-G562 PolarHBondContact O-N 3.25Å; P560-F565 HydrophobicContact CB-CD2 3.94Å; P560-F565 HydrophobicContact CB-CE2 3.58Å; P560-F565 HydrophobicContact CB-CZ 4.01Å; P560-F565 HydrophobicContact CG-CD1 4.42Å; P560-F565 HydrophobicContact CG-CD2 4.14Å; P560-F565 HydrophobicContact CG-CE1 4.13Å; P560-F565 HydrophobicContact CG-CE2 3.87Å; P560-F565 HydrophobicContact CG-CG 4.43Å; P560-F565 HydrophobicContact CG-CZ 3.86Å; P560-F565 WeakPolarHBondContact O-CD2 3.24Å; P560-F684 HydrophobicContact CB-CE1 4.43Å; P560-F684 HydrophobicContact CG-CE1 4.04Å; P560-Y686 VanDerWaalsContact CD-CG 3.45Å; P560-Y686 HydrophobicContact CG-CD1 4.05Å; P560-Y686 HydrophobicContact CG-CG 3.93Å; P560-Q698 HydrophobicContact CB-CB 4.21Å; P560-Q698 HydrophobicContact CB-CG 3.8Å; P560-Q698 HydrophobicContact CG-CG 3.97Å
561	T	91.6	Very high	95.3	Very high	31 Å²	31	37.4 Å²	37.4	19%	0.19	21%	0.207	C	C	.	.	S	Bend	trans	-63.8	136.6	170.8	-57.7	0	0	0	0	110.2	E580 R713	T561-E580 WeakPolarHBondContact CG2-OE1 3.49Å; T561-R713 VanDerWaalsContact CB-NH1 3.25Å; T561-R713 PolarHBondContact OG1-NH1 3.21Å
562	G	88.7	Confident	95.3	Very high	23 Å²	23	35.8 Å²	35.8	24%	0.237	20%	0.198	C	C	.	.	S	Bend	trans	128.7	120.1	-177	0	0	0	0	0	111	P560 K564 F565 E580	P560-G562 PolarHBondContact O-N 3.25Å; G562-K564 PolarHBondContact O-N 2.99Å; G562-F565 VanDerWaalsContact O-CD2 3.24Å; G562-F565 WeakPolarHBondContact O-CD2 3.33Å; G562-F565 PolarHBondContact O-N 2.84Å; G562-E580 PolarHBondContact N-OE1 2.93Å
563	W	93.5	Very high	95.2	Very high	8 Å²	8	39.7 Å²	39.7	3%	0.03	22%	0.217	C	C	.	.	H	α-helix	trans	-64.6	-19.1	-170.5	-155.4	-100.8	0	0	0	114.8	P338 F565 F566 G567 M570 C578 E580 E592 K593	P338-W563 HydrophobicContact CG-CB 4.19Å; W563-F565 VanDerWaalsContact C-N 3.25Å; W563-F565 PolarHBondContact O-N 3.38Å; W563-F566 AromaticContact CD2-CD2 3.7Å; W563-F566 HydrophobicContact CD2-CD2 3.7Å; W563-F566 HydrophobicContact CD2-CE2 4.43Å; W563-F566 AromaticContact CE3-CD2 3.29Å; W563-F566 HydrophobicContact CE3-CD2 3.29Å; W563-F566 AromaticContact CE3-CE2 3.59Å; W563-F566 HydrophobicContact CE3-CE2 3.59Å; W563-F566 HydrophobicContact CE3-CG 4.42Å; W563-F566 HydrophobicContact CG-CD2 4.33Å; W563-F566 HydrophobicContact CH2-CD2 4.28Å; W563-F566 AromaticContact CZ3-CD2 3.59Å; W563-F566 HydrophobicContact CZ3-CD2 3.59Å; W563-F566 AromaticContact CZ3-CE2 3.67Å; W563-F566 HydrophobicContact CZ3-CE2 3.67Å; W563-F566 PolarHBondContact O-N 3.19Å; W563-F566 VanDerWaalsContact O-N 3.17Å; W563-G567 PolarHBondContact O-N 3.41Å; W563-M570 HydrophobicContact CZ2-CE 4.09Å; W563-C578 WeakPolarHBondContact CH2-SG 3.5Å; W563-C578 VanDerWaalsContact CZ2-SG 3.52Å; W563-E580 HydrophobicContact CE3-CG 4.22Å; W563-E580 HydrophobicContact CZ3-CG 4.17Å; W563-E592 VanDerWaalsContact CD1-CA 3.47Å; W563-E592 VanDerWaalsContact CE2-C 3.41Å; W563-E592 VanDerWaalsContact NE1-CA 3.25Å; W563-E592 PolarHBondContact NE1-O 2.88Å; W563-K593 HydrophobicContact CD2-CD 4.39Å; W563-K593 HydrophobicContact CD2-CG 3.46Å; W563-K593 VanDerWaalsContact CD2-CG 3.46Å; W563-K593 HydrophobicContact CE3-CB 4.45Å; W563-K593 HydrophobicContact CE3-CD 3.83Å; W563-K593 HydrophobicContact CE3-CG 3.17Å; W563-K593 HydrophobicContact CG-CG 4.21Å; W563-K593 HydrophobicContact CH2-CB 4.34Å; W563-K593 HydrophobicContact CH2-CG 3.72Å; W563-K593 HydrophobicContact CZ2-CB 4.39Å; W563-K593 HydrophobicContact CZ2-CG 3.97Å; W563-K593 HydrophobicContact CZ3-CB 4.4Å; W563-K593 HydrophobicContact CZ3-CD 4.13Å; W563-K593 HydrophobicContact CZ3-CG 3.35Å
564	K	90.1	Very high	95.3	Very high	55 Å²	55	36.4 Å²	36.4	24%	0.239	19%	0.19	C	C	.	.	H	α-helix	trans	-56.2	-34.9	174.8	69.2	-172.1	179.5	-172.4	0	113.6	P338 E341 G562 G567 N568	P338-K564 HydrophobicContact CG-CB 4.27Å; E341-K564 VanDerWaalsContact CG-NZ 3.31Å; E341-K564 IonicContact OE1-NZ 3.57Å; E341-K564 PolarHBondContact OE1-NZ 3.09Å; E341-K564 IonicContact OE2-NZ 3.67Å; G562-K564 PolarHBondContact O-N 2.99Å; K564-G567 PolarHBondContact O-N 2.85Å; K564-N568 PolarHBondContact O-N 3.33Å; K564-N568 VanDerWaalsContact O-N 3.07Å
565	F	93.3	Very high	95.3	Very high	12 Å²	12	34.4 Å²	34.4	5%	0.053	18%	0.18	C	C	.	.	H	α-helix	trans	-69.7	-39.4	179.3	-59.6	-70.6	0	0	0	111.3	V559 P560 G562 W563 L569 Y686 T695	V559-F565 HydrophobicContact CB-CB 3.79Å; V559-F565 HydrophobicContact CB-CG 4.48Å; V559-F565 HydrophobicContact CG1-CB 4.24Å; V559-F565 HydrophobicContact CG2-CB 3.99Å; P560-F565 HydrophobicContact CB-CD2 3.94Å; P560-F565 HydrophobicContact CB-CE2 3.58Å; P560-F565 HydrophobicContact CB-CZ 4.01Å; P560-F565 HydrophobicContact CG-CD1 4.42Å; P560-F565 HydrophobicContact CG-CD2 4.14Å; P560-F565 HydrophobicContact CG-CE1 4.13Å; P560-F565 HydrophobicContact CG-CE2 3.87Å; P560-F565 HydrophobicContact CG-CG 4.43Å; P560-F565 HydrophobicContact CG-CZ 3.86Å; P560-F565 WeakPolarHBondContact O-CD2 3.24Å; G562-F565 VanDerWaalsContact O-CD2 3.24Å; G562-F565 WeakPolarHBondContact O-CD2 3.33Å; G562-F565 PolarHBondContact O-N 2.84Å; W563-F565 VanDerWaalsContact C-N 3.25Å; W563-F565 PolarHBondContact O-N 3.38Å; F565-L569 WeakPolarHBondContact O-CG 3.36Å; F565-L569 PolarHBondContact O-N 3.12Å; F565-Y686 HydrophobicContact CD1-CD1 4.02Å; F565-Y686 AromaticContact CD1-CE1 3.82Å; F565-Y686 HydrophobicContact CD1-CE1 3.82Å; F565-Y686 HydrophobicContact CE1-CD1 4.25Å; F565-Y686 HydrophobicContact CE1-CE1 4.44Å; F565-T695 HydrophobicContact CZ-CG2 4.09Å
566	F	96.5	Very high	95.4	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-66.1	-42.2	171.2	-58	-57.9	0	0	0	111.6	A536 V559 W563 N568 L569 M570 C578 E580	A536-F566 HydrophobicContact CB-CD1 3.54Å; A536-F566 HydrophobicContact CB-CE1 3.57Å; V559-F566 HydrophobicContact CG2-CD1 3.67Å; V559-F566 HydrophobicContact CG2-CE1 3.2Å; V559-F566 HydrophobicContact CG2-CE2 4.25Å; V559-F566 HydrophobicContact CG2-CG 4.38Å; V559-F566 HydrophobicContact CG2-CZ 3.55Å; W563-F566 AromaticContact CD2-CD2 3.7Å; W563-F566 HydrophobicContact CD2-CD2 3.7Å; W563-F566 HydrophobicContact CD2-CE2 4.43Å; W563-F566 AromaticContact CE3-CD2 3.29Å; W563-F566 HydrophobicContact CE3-CD2 3.29Å; W563-F566 AromaticContact CE3-CE2 3.59Å; W563-F566 HydrophobicContact CE3-CE2 3.59Å; W563-F566 HydrophobicContact CE3-CG 4.42Å; W563-F566 HydrophobicContact CG-CD2 4.33Å; W563-F566 HydrophobicContact CH2-CD2 4.28Å; W563-F566 AromaticContact CZ3-CD2 3.59Å; W563-F566 HydrophobicContact CZ3-CD2 3.59Å; W563-F566 AromaticContact CZ3-CE2 3.67Å; W563-F566 HydrophobicContact CZ3-CE2 3.67Å; W563-F566 PolarHBondContact O-N 3.19Å; W563-F566 VanDerWaalsContact O-N 3.17Å; F566-N568 VanDerWaalsContact C-N 3.26Å; F566-N568 PolarHBondContact O-N 2.96Å; F566-L569 WeakPolarHBondContact O-CB 3.1Å; F566-L569 PolarHBondContact O-N 3.05Å; F566-L569 VanDerWaalsContact O-N 3.09Å; F566-M570 HydrophobicContact CB-CE 4.2Å; F566-M570 VanDerWaalsContact O-CG 3.3Å; F566-M570 WeakPolarHBondContact O-CG 3.26Å; F566-M570 PolarHBondContact O-N 3.17Å; F566-C578 HydrophobicContact CB-CB 4.41Å; F566-C578 HydrophobicContact CD1-CB 3.47Å; F566-C578 VanDerWaalsContact CD1-CB 3.47Å; F566-C578 HydrophobicContact CD2-CB 4.43Å; F566-C578 HydrophobicContact CE1-CB 3.67Å; F566-C578 HydrophobicContact CG-CB 3.87Å; F566-C578 VanDerWaalsContact CG-SG 3.55Å; F566-C578 HydrophobicContact CZ-CB 4.25Å; F566-E580 HydrophobicContact CE2-CG 3.7Å; F566-E580 HydrophobicContact CZ-CG 4.25Å
567	G	94.7	Very high	95.4	Very high	6 Å²	6	27.9 Å²	27.9	6%	0.062	15%	0.147	C	C	.	.	H	α-helix	trans	-53.6	-42.9	176.7	0	0	0	0	0	112.7	W563 K564 M570 D571	W563-G567 PolarHBondContact O-N 3.41Å; K564-G567 PolarHBondContact O-N 2.85Å; G567-M570 PolarHBondContact O-N 2.99Å; G567-D571 WeakPolarHBondContact O-CB 3.17Å; G567-D571 PolarHBondContact O-N 3.02Å
568	N	93.6	Very high	95.4	Very high	42 Å²	42	25.9 Å²	25.9	23%	0.225	14%	0.139	C	C	.	.	H	α-helix	trans	-63.2	-43.7	177.1	-154.4	24.1	0	0	0	112.1	K564 F566 D571 A572 D688 D691	K564-N568 PolarHBondContact O-N 3.33Å; K564-N568 VanDerWaalsContact O-N 3.07Å; F566-N568 VanDerWaalsContact C-N 3.26Å; F566-N568 PolarHBondContact O-N 2.96Å; N568-D571 PolarHBondContact O-N 2.94Å; N568-A572 WeakPolarHBondContact O-CB 3.23Å; N568-A572 PolarHBondContact O-N 3.39Å; N568-D688 PolarHBondContact ND2-OD1 3.01Å; N568-D688 PolarHBondContact ND2-OD2 2.9Å; N568-D691 PolarHBondContact ND2-OD2 3.22Å
569	L	96.9	Very high	95.4	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-64.7	-38.5	175.1	-63	175.7	0	0	0	112.4	A536 Y557 V559 F565 F566 A572 K573 L574 C575 P689 V690	A536-L569 HydrophobicContact CB-CD1 3.97Å; Y557-L569 HydrophobicContact CD1-CD1 4.36Å; Y557-L569 HydrophobicContact CD1-CD2 4.1Å; Y557-L569 HydrophobicContact CD2-CD1 4.27Å; Y557-L569 HydrophobicContact CE1-CD2 4.31Å; Y557-L569 HydrophobicContact CG-CD1 3.85Å; Y557-L569 HydrophobicContact CG-CD2 4.31Å; V559-L569 HydrophobicContact CG1-CD1 3.76Å; F565-L569 WeakPolarHBondContact O-CG 3.36Å; F565-L569 PolarHBondContact O-N 3.12Å; F566-L569 WeakPolarHBondContact O-CB 3.1Å; F566-L569 PolarHBondContact O-N 3.05Å; F566-L569 VanDerWaalsContact O-N 3.09Å; L569-A572 CarbonylContact O-C 3.56Å; L569-A572 PolarHBondContact O-N 3.2Å; L569-K573 PolarHBondContact O-N 3.39Å; L569-L574 HydrophobicContact CB-CB 4.36Å; L569-L574 HydrophobicContact CD2-CB 4.24Å; L569-L574 HydrophobicContact CD2-CD1 4.02Å; L569-L574 PolarHBondContact O-N 3.29Å; L569-C575 HydrophobicContact CB-CB 3.63Å; L569-C575 HydrophobicContact CD1-CB 4.37Å; L569-C575 PolarHBondContact O-N 2.86Å; L569-P689 HydrophobicContact CD2-CG 3.61Å; L569-V690 HydrophobicContact CD2-CG2 4.19Å
570	M	96.6	Very high	95.4	Very high	3 Å²	3	24 Å²	24	2%	0.015	13%	0.13	C	C	.	.	H	α-helix	trans	-65.9	-44.4	176.9	-68.5	174.8	-175.2	0	0	111.4	W563 F566 G567 A572 K573 C578 D588	W563-M570 HydrophobicContact CZ2-CE 4.09Å; F566-M570 HydrophobicContact CB-CE 4.2Å; F566-M570 VanDerWaalsContact O-CG 3.3Å; F566-M570 WeakPolarHBondContact O-CG 3.26Å; F566-M570 PolarHBondContact O-N 3.17Å; G567-M570 PolarHBondContact O-N 2.99Å; M570-A572 PolarHBondContact O-N 3.14Å; M570-K573 PolarHBondContact O-N 3.04Å; M570-C578 WeakPolarHBondContact CE-SG 3.36Å; M570-D588 HydrophobicContact CB-CB 4.13Å; M570-D588 HydrophobicContact CG-CB 3.94Å; M570-D588 HydrophobicContact SD-CB 4.4Å
571	D	94	Very high	95.4	Very high	75 Å²	75	24 Å²	24	40%	0.401	13%	0.13	S	C	.	.	H	α-helix	trans	-65.7	-31.1	178.8	-72.4	-15.9	0	0	0	111.6	N335 G567 N568 K573 R591	N335-D571 PolarHBondContact ND2-OD2 3.43Å; G567-D571 WeakPolarHBondContact O-CB 3.17Å; G567-D571 PolarHBondContact O-N 3.02Å; N568-D571 PolarHBondContact O-N 2.94Å; D571-K573 VanDerWaalsContact C-N 3.3Å; D571-K573 PolarHBondContact O-N 2.85Å; D571-R591 IonicContact OD1-CZ 3.23Å; D571-R591 VanDerWaalsContact OD1-CZ 3.26Å; D571-R591 IonicContact OD1-NE 2.78Å; D571-R591 PolarHBondContact OD1-NE 2.92Å; D571-R591 IonicContact OD1-NH2 2.78Å; D571-R591 PolarHBondContact OD1-NH2 2.83Å
572	A	96.2	Very high	95.5	Very high	38 Å²	38	23 Å²	23	31%	0.314	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	1.5	172.1	0	0	0	0	0	114.8	N568 L569 M570 L574 V690	N568-A572 WeakPolarHBondContact O-CB 3.23Å; N568-A572 PolarHBondContact O-N 3.39Å; L569-A572 CarbonylContact O-C 3.56Å; L569-A572 PolarHBondContact O-N 3.2Å; M570-A572 PolarHBondContact O-N 3.14Å; A572-L574 HydrophobicContact CB-CD1 4.16Å; A572-L574 HydrophobicContact CB-CG 3.99Å; A572-L574 PolarHBondContact O-N 2.9Å; A572-V690 HydrophobicContact CB-CB 4.21Å; A572-V690 HydrophobicContact CB-CG1 3.7Å; A572-V690 HydrophobicContact CB-CG2 3.41Å; A572-V690 VanDerWaalsContact CB-CG2 3.41Å
573	K	96.1	Very high	95.8	Very high	147 Å²	147	22 Å²	22	64%	0.639	11%	0.114	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.7	37.9	-175	-54.5	-176.2	178.3	-174.6	0	113.5	H533 L569 M570 D571	H533-K573 WeakPolarHBondContact CB-O 3.38Å; L569-K573 PolarHBondContact O-N 3.39Å; M570-K573 PolarHBondContact O-N 3.04Å; D571-K573 VanDerWaalsContact C-N 3.3Å; D571-K573 PolarHBondContact O-N 2.85Å
574	L	97.8	Very high	96	Very high	50 Å²	50	21.7 Å²	21.7	26%	0.262	11%	0.112	S	C	.	.	S	Bend	trans	-100.2	-22.6	175.1	-63.4	-177.9	0	0	0	112.4	G534 Y557 L569 A572 P689 V690	G534-L574 WeakPolarHBondContact CA-O 3.49Å; Y557-L574 HydrophobicContact CE1-CD1 4.49Å; Y557-L574 HydrophobicContact CE2-CB 3.95Å; Y557-L574 VanDerWaalsContact CE2-O 3.29Å; Y557-L574 WeakPolarHBondContact CE2-O 3.3Å; L569-L574 HydrophobicContact CB-CB 4.36Å; L569-L574 HydrophobicContact CD2-CB 4.24Å; L569-L574 HydrophobicContact CD2-CD1 4.02Å; L569-L574 PolarHBondContact O-N 3.29Å; A572-L574 HydrophobicContact CB-CD1 4.16Å; A572-L574 HydrophobicContact CB-CG 3.99Å; A572-L574 PolarHBondContact O-N 2.9Å; L574-P689 HydrophobicContact CD1-CG 4.2Å; L574-V690 HydrophobicContact CD1-CG2 3.85Å
575	C	97.4	Very high	96.4	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.101	C	C	.	.			trans	-132.6	130.2	-178.3	178.4	0	0	0	0	110.4	A536 L569 L577	A536-C575 HydrophobicContact CB-CB 4.32Å; A536-C575 VanDerWaalsContact CB-SG 3.55Å; L569-C575 HydrophobicContact CB-CB 3.63Å; L569-C575 HydrophobicContact CD1-CB 4.37Å; L569-C575 PolarHBondContact O-N 2.86Å; C575-L577 PolarHBondContact SG-O 2.86Å
576	S	98.4	Very high	96.7	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.099	C	C	.	.	S	Bend	trans	-107.7	-32.1	172.9	-67.3	0	0	0	0	113.3	H533 G534 S587 D588	H533-S576 WeakPolarHBondContact CB-OG 3.44Å; H533-S576 PolarHBondContact CD2-OG 2.81Å; H533-S576 PolarHBondContact N-OG 3.38Å; G534-S576 PolarHBondContact O-N 2.79Å; S576-S587 CarbonylContact O-C 3.6Å; S576-S587 WeakPolarHBondContact O-CA 3.43Å; S576-S587 WeakPolarHBondContact O-CB 3.34Å; S576-D588 VanDerWaalsContact CA-OD2 3.27Å; S576-D588 WeakPolarHBondContact CA-OD2 3.41Å; S576-D588 VanDerWaalsContact CB-OD2 3.3Å; S576-D588 WeakPolarHBondContact CB-OD2 3.49Å; S576-D588 PolarHBondContact O-N 3.43Å; S576-D588 PolarHBondContact OG-OD2 3.18Å
577	L	98.7	Very high	96.7	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	132.6	177.8	169.2	68.2	0	0	0	110	L514 I517 A518 F527 G534 F535 A536 C575 I585 G586 W597	L514-L577 HydrophobicContact CD1-CD1 4.09Å; L514-L577 HydrophobicContact CD1-CD2 4.31Å; L514-L577 HydrophobicContact CD1-CG 3.91Å; I517-L577 HydrophobicContact CB-CD2 4.2Å; I517-L577 HydrophobicContact CG2-CD1 4.16Å; I517-L577 HydrophobicContact CG2-CD2 3.67Å; A518-L577 HydrophobicContact CB-CD2 3.79Å; F527-L577 HydrophobicContact CZ-CB 4.18Å; G534-L577 PolarHBondContact O-N 3.39Å; F535-L577 VanDerWaalsContact CA-O 3.26Å; F535-L577 WeakPolarHBondContact CA-O 3.39Å; F535-L577 HydrophobicContact CD1-CB 3.75Å; F535-L577 HydrophobicContact CD1-CD2 3.97Å; F535-L577 HydrophobicContact CD1-CG 4.16Å; F535-L577 HydrophobicContact CE1-CB 3.98Å; F535-L577 HydrophobicContact CE1-CD2 3.85Å; F535-L577 HydrophobicContact CE1-CG 4.42Å; A536-L577 PolarHBondContact N-O 3.38Å; C575-L577 PolarHBondContact SG-O 2.86Å; L577-I585 HydrophobicContact CD1-CG2 3.97Å; L577-G586 WeakPolarHBondContact CD1-O 3.39Å; L577-W597 HydrophobicContact CD1-CH2 3.74Å; L577-W597 HydrophobicContact CD1-CZ3 3.81Å
578	C	98.6	Very high	96.9	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	166.3	178.6	60.1	0	0	0	0	113.9	A536 W563 F566 M570 G586	A536-C578 HydrophobicContact CB-CB 3.89Å; A536-C578 WeakPolarHBondContact O-CA 3.22Å; A536-C578 VanDerWaalsContact O-CB 3.25Å; A536-C578 WeakPolarHBondContact O-CB 3.4Å; W563-C578 WeakPolarHBondContact CH2-SG 3.5Å; W563-C578 VanDerWaalsContact CZ2-SG 3.52Å; F566-C578 HydrophobicContact CB-CB 4.41Å; F566-C578 HydrophobicContact CD1-CB 3.47Å; F566-C578 VanDerWaalsContact CD1-CB 3.47Å; F566-C578 HydrophobicContact CD2-CB 4.43Å; F566-C578 HydrophobicContact CE1-CB 3.67Å; F566-C578 HydrophobicContact CG-CB 3.87Å; F566-C578 VanDerWaalsContact CG-SG 3.55Å; F566-C578 HydrophobicContact CZ-CB 4.25Å; M570-C578 WeakPolarHBondContact CE-SG 3.36Å; C578-G586 PolarHBondContact N-O 3.03Å; C578-G586 PolarHBondContact O-N 2.91Å; C578-G586 VanDerWaalsContact O-O 3.11Å
579	G	98.3	Very high	97	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.6	162.3	174.6	0	0	0	0	0	116.2	A536 R537 S538 T541 G584	A536-G579 PolarHBondContact O-N 3.04Å; R537-G579 WeakPolarHBondContact CA-O 3.29Å; S538-G579 PolarHBondContact N-O 3.22Å; T541-G579 PolarHBondContact OG1-O 3.19Å; G579-G584 CarbonylContact C-O 3.35Å; G579-G584 WeakPolarHBondContact CA-O 3.39Å
580	E	96.9	Very high	97.1	Very high	14 Å²	14	17.3 Å²	17.3	7%	0.065	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	149.5	177.2	-56.8	-165.9	131.4	0	0	109.7	T541 T561 G562 W563 F566 S582 G584	T541-E580 WeakPolarHBondContact OG1-CA 3.22Å; T561-E580 WeakPolarHBondContact CG2-OE1 3.49Å; G562-E580 PolarHBondContact N-OE1 2.93Å; W563-E580 HydrophobicContact CE3-CG 4.22Å; W563-E580 HydrophobicContact CZ3-CG 4.17Å; F566-E580 HydrophobicContact CE2-CG 3.7Å; F566-E580 HydrophobicContact CZ-CG 4.25Å; E580-S582 WeakPolarHBondContact CB-OG 3.06Å; E580-S582 PolarHBondContact O-N 3.32Å; E580-S582 VanDerWaalsContact O-N 3.14Å; E580-G584 PolarHBondContact N-O 3.05Å; E580-G584 PolarHBondContact O-N 3.12Å
581	E	95	Very high	97	Very high	1 Å²	1	18.2 Å²	18.2	1%	0.005	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-7.4	177.5	82.1	-62.8	167.1	0	0	113.7	P510 S538 P540 T541 F583 F634 Y727	P510-E581 WeakPolarHBondContact CG-O 3.39Å; S538-E581 PolarHBondContact OG-OE2 3.28Å; S538-E581 VanDerWaalsContact OG-OE2 3.05Å; P540-E581 HydrophobicContact CB-CG 4.14Å; T541-E581 PolarHBondContact OG1-N 2.92Å; E581-F583 PolarHBondContact O-N 3.01Å; E581-F634 HydrophobicContact CB-CE1 4.42Å; E581-F634 HydrophobicContact CB-CE2 4.39Å; E581-F634 HydrophobicContact CB-CZ 3.75Å; E581-F634 HydrophobicContact CG-CZ 3.98Å; E581-Y727 HydrophobicContact CG-CD1 3.88Å; E581-Y727 HydrophobicContact CG-CE1 3.41Å; E581-Y727 VanDerWaalsContact CG-CE1 3.41Å; E581-Y727 WeakPolarHBondContact OE1-CE1 3.33Å; E581-Y727 PolarHBondContact OE1-OH 2.93Å
582	S	93.3	Very high	97.2	Very high	9 Å²	9	15 Å²	15	6%	0.063	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	29.7	175.1	52.6	0	0	0	0	113.1	R497 E580 G584	R497-S582 VanDerWaalsContact CD-O 3.29Å; R497-S582 WeakPolarHBondContact CD-O 3.35Å; E580-S582 WeakPolarHBondContact CB-OG 3.06Å; E580-S582 PolarHBondContact O-N 3.32Å; E580-S582 VanDerWaalsContact O-N 3.14Å; S582-G584 PolarHBondContact O-N 2.94Å
583	F	96.7	Very high	97.3	Very high	3 Å²	3	14.1 Å²	14.1	1%	0.013	7%	0.065	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.7	20.6	-177.5	-59.6	-81.3	0	0	0	114.6	P467 N468 R497 N498 M499 F507 P510 E581 T772	P467-F583 WeakPolarHBondContact O-CD2 3.26Å; P467-F583 WeakPolarHBondContact O-CE2 3.21Å; N468-F583 HydrophobicContact CB-CE2 3.81Å; N468-F583 HydrophobicContact CB-CZ 4.27Å; R497-F583 CarbonylContact C-O 3.58Å; R497-F583 VanDerWaalsContact CA-O 3.23Å; R497-F583 WeakPolarHBondContact CA-O 3.24Å; R497-F583 HydrophobicContact CB-CB 4.08Å; R497-F583 WeakPolarHBondContact CB-O 3.47Å; N498-F583 PolarHBondContact N-O 3.03Å; N498-F583 WeakPolarHBondContact O-CB 3.47Å; N498-F583 WeakPolarHBondContact O-CD1 3.46Å; M499-F583 HydrophobicContact CB-CD1 4.07Å; M499-F583 HydrophobicContact CB-CE1 4.01Å; M499-F583 HydrophobicContact CG-CD1 4.44Å; M499-F583 HydrophobicContact CG-CE1 3.9Å; M499-F583 HydrophobicContact CG-CZ 4.47Å; F507-F583 AromaticContact CE2-CE1 3.94Å; F507-F583 HydrophobicContact CE2-CE1 3.94Å; F507-F583 HydrophobicContact CE2-CZ 4.08Å; F507-F583 AromaticContact CZ-CE1 3.91Å; F507-F583 HydrophobicContact CZ-CE1 3.91Å; F507-F583 AromaticContact CZ-CZ 3.83Å; F507-F583 HydrophobicContact CZ-CZ 3.83Å; P510-F583 HydrophobicContact CB-CD1 4Å; P510-F583 HydrophobicContact CB-CE1 4.44Å; P510-F583 HydrophobicContact CB-CG 4.4Å; P510-F583 HydrophobicContact CG-CD1 4.08Å; P510-F583 HydrophobicContact CG-CE1 4.11Å; P510-F583 HydrophobicContact CG-CG 4.41Å; P510-F583 HydrophobicContact CG-CZ 4.45Å; E581-F583 PolarHBondContact O-N 3.01Å; F583-T772 HydrophobicContact CE2-CG2 3.66Å; F583-T772 HydrophobicContact CZ-CG2 3.57Å
584	G	97.4	Very high	97.4	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	4%	0.035	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	110.7	176.7	0	0	0	0	0	112	G579 E580 S582	G579-G584 CarbonylContact C-O 3.35Å; G579-G584 WeakPolarHBondContact CA-O 3.39Å; E580-G584 PolarHBondContact N-O 3.05Å; E580-G584 PolarHBondContact O-N 3.12Å; S582-G584 PolarHBondContact O-N 2.94Å
585	I	98.6	Very high	97.4	Very high	3 Å²	3	4.7 Å²	4.7	2%	0.015	2%	0.022	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	145.8	171.2	-64.1	174.3	0	0	0	108.2	S513 L514 I517 L577 D594 W597 A598	S513-I585 WeakPolarHBondContact OG-CD1 3.12Å; L514-I585 HydrophobicContact CB-CD1 4.08Å; L514-I585 HydrophobicContact CB-CG1 4.38Å; L514-I585 HydrophobicContact CD1-CG2 4.31Å; I517-I585 HydrophobicContact CD1-CD1 4.23Å; I517-I585 HydrophobicContact CD1-CG2 4.19Å; L577-I585 HydrophobicContact CD1-CG2 3.97Å; I585-D594 PolarHBondContact O-N 2.63Å; I585-W597 HydrophobicContact CG2-CZ3 4.07Å; I585-A598 HydrophobicContact CB-CB 4.02Å; I585-A598 HydrophobicContact CG2-CB 4.17Å
586	G	98	Very high	97.5	Very high	0 Å²	0	4.7 Å²	4.7	0%	0	2%	0.022	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.9	174.2	176.5	0	0	0	0	0	111.7	L577 C578	L577-G586 WeakPolarHBondContact CD1-O 3.39Å; C578-G586 PolarHBondContact N-O 3.03Å; C578-G586 PolarHBondContact O-N 2.91Å; C578-G586 VanDerWaalsContact O-O 3.11Å
587	S	98.1	Very high	97.5	Very high	0 Å²	0	4.7 Å²	4.7	0%	0	2%	0.022	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	170.6	-178.6	69.8	0	0	0	0	111.2	S576 H589 I590 W597	S576-S587 CarbonylContact O-C 3.6Å; S576-S587 WeakPolarHBondContact O-CA 3.43Å; S576-S587 WeakPolarHBondContact O-CB 3.34Å; S587-H589 PolarHBondContact O-N 3.12Å; S587-H589 PolarHBondContact O-ND1 3.21Å; S587-H589 VanDerWaalsContact O-ND1 3.11Å; S587-H589 PolarHBondContact OG-CE1 2.84Å; S587-H589 PolarHBondContact OG-ND1 2.78Å; S587-I590 PolarHBondContact O-N 2.65Å; S587-I590 VanDerWaalsContact O-O 3.1Å; S587-W597 VanDerWaalsContact OG-CE2 3.26Å; S587-W597 WeakPolarHBondContact OG-CZ2 3.25Å
588	D	97.3	Very high	97.5	Very high	19 Å²	19	4.7 Å²	4.7	10%	0.102	2%	0.022	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	5.9	-176	64.6	9.4	0	0	0	115.2	Y526 H533 M570 S576 I590 R591	Y526-D588 WeakPolarHBondContact CE1-OD1 3.16Å; Y526-D588 PolarHBondContact OH-OD1 3.43Å; H533-D588 IonicContact CD2-OD2 3.78Å; M570-D588 HydrophobicContact CB-CB 4.13Å; M570-D588 HydrophobicContact CG-CB 3.94Å; M570-D588 HydrophobicContact SD-CB 4.4Å; S576-D588 VanDerWaalsContact CA-OD2 3.27Å; S576-D588 WeakPolarHBondContact CA-OD2 3.41Å; S576-D588 VanDerWaalsContact CB-OD2 3.3Å; S576-D588 WeakPolarHBondContact CB-OD2 3.49Å; S576-D588 PolarHBondContact O-N 3.43Å; S576-D588 PolarHBondContact OG-OD2 3.18Å; D588-I590 VanDerWaalsContact C-N 3.34Å; D588-R591 PolarHBondContact O-NH1 3.3Å
589	H	97.3	Very high	97.5	Very high	1 Å²	1	4.7 Å²	4.7	1%	0.005	2%	0.022	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-31.5	169	76.2	-70	0	0	0	112.5	R304 Y398 L402 Y526 S587 D594 W597	R304-H589 PolarHBondContact NH1-O 3.48Å; Y398-H589 HydrophobicContact CE1-CB 4.27Å; Y398-H589 AromaticContact CE1-CD2 3.87Å; Y398-H589 PolarHBondContact OH-O 2.72Å; Y398-H589 VanDerWaalsContact OH-O 3.13Å; L402-H589 HydrophobicContact CD1-CB 3.96Å; L402-H589 WeakPolarHBondContact CD1-CD2 3.38Å; L402-H589 HydrophobicContact CD2-CB 4.36Å; Y526-H589 HydrophobicContact CE1-CB 4.35Å; Y526-H589 HydrophobicContact CE2-CB 4.43Å; S587-H589 PolarHBondContact O-N 3.12Å; S587-H589 PolarHBondContact O-ND1 3.21Å; S587-H589 VanDerWaalsContact O-ND1 3.11Å; S587-H589 PolarHBondContact OG-CE1 2.84Å; S587-H589 PolarHBondContact OG-ND1 2.78Å; H589-D594 IonicContact NE2-OD2 3.59Å; H589-D594 PolarHBondContact NE2-OD2 2.88Å; H589-W597 AromaticContact CD2-CD1 3.96Å; H589-W597 AromaticContact CE1-CD1 3.46Å; H589-W597 VanDerWaalsContact CE1-CD1 3.46Å; H589-W597 AromaticContact CE1-CD2 3.88Å; H589-W597 AromaticContact CE1-CG 3.55Å; H589-W597 AromaticContact CE1-NE1 3.79Å; H589-W597 AromaticContact ND1-CD1 3.99Å; H589-W597 AromaticContact ND1-NE1 3.91Å; H589-W597 AromaticContact NE2-CD1 3.44Å; H589-W597 AromaticContact NE2-CG 3.74Å
590	I	97.4	Very high	97.6	Very high	0 Å²	0	4.7 Å²	4.7	0%	0	2%	0.022	C	C	.	.	S	Bend	trans	-139.5	178.8	173.3	67.1	172.2	0	0	0	110.8	P297 F301 Y398 S587 D588 E592 D594	P297-I590 HydrophobicContact CB-CD1 3.42Å; P297-I590 VanDerWaalsContact CB-CD1 3.42Å; F301-I590 HydrophobicContact CB-CG2 4.05Å; Y398-I590 HydrophobicContact CE1-CG2 4.04Å; S587-I590 PolarHBondContact O-N 2.65Å; S587-I590 VanDerWaalsContact O-O 3.1Å; D588-I590 VanDerWaalsContact C-N 3.34Å; I590-E592 HydrophobicContact CD1-CB 4.21Å; I590-D594 HydrophobicContact CD1-CB 3.9Å
591	R	96.4	Very high	97.7	Very high	23 Å²	23	4 Å²	4	9%	0.087	2%	0.019	C	C	.	.	S	Bend	trans	-111.8	26.8	-177.4	-85	54.3	178.3	159.5	8	112.1	S300 N335 G337 P338 D571 D588	S300-R591 PolarHBondContact OG-N 3.18Å; N335-R591 WeakPolarHBondContact O-CG 3.38Å; G337-R591 VanDerWaalsContact CA-CB 3.46Å; G337-R591 WeakPolarHBondContact CA-O 3.46Å; P338-R591 WeakPolarHBondContact CD-O 3.49Å; D571-R591 IonicContact OD1-CZ 3.23Å; D571-R591 VanDerWaalsContact OD1-CZ 3.26Å; D571-R591 IonicContact OD1-NE 2.78Å; D571-R591 PolarHBondContact OD1-NE 2.92Å; D571-R591 IonicContact OD1-NH2 2.78Å; D571-R591 PolarHBondContact OD1-NH2 2.83Å; D588-R591 PolarHBondContact O-NH1 3.3Å
592	E	97.1	Very high	97.8	Very high	8 Å²	8	4 Å²	4	4%	0.037	2%	0.019	C	C	.	.	S	Bend	trans	-134	166.6	175.9	-86.6	-69.2	179.6	0	0	110.7	T296 N332 W563 I590	T296-E592 HydrophobicContact CG2-CB 4.12Å; T296-E592 VanDerWaalsContact CG2-CD 3.42Å; T296-E592 HydrophobicContact CG2-CG 3.59Å; N332-E592 PolarHBondContact ND2-OE1 3.16Å; W563-E592 VanDerWaalsContact CD1-CA 3.47Å; W563-E592 VanDerWaalsContact CE2-C 3.41Å; W563-E592 VanDerWaalsContact NE1-CA 3.25Å; W563-E592 PolarHBondContact NE1-O 2.88Å; I590-E592 HydrophobicContact CD1-CB 4.21Å
593	K	98	Very high	98.1	Very high	18 Å²	18	3.6 Å²	3.6	8%	0.078	2%	0.016	C	C	.	.			trans	-66	147.8	164.8	-56.3	167.3	-55.1	-55.5	0	108.2	D496 W563	D496-K593 HydrophobicContact CB-CB 3.97Å; D496-K593 WeakPolarHBondContact O-CB 3.5Å; D496-K593 WeakPolarHBondContact OD1-CE 3.45Å; D496-K593 IonicContact OD1-NZ 3.84Å; D496-K593 WeakPolarHBondContact OD2-CE 3.28Å; D496-K593 IonicContact OD2-NZ 2.65Å; D496-K593 PolarHBondContact OD2-NZ 3.07Å; W563-K593 HydrophobicContact CD2-CD 4.39Å; W563-K593 HydrophobicContact CD2-CG 3.46Å; W563-K593 VanDerWaalsContact CD2-CG 3.46Å; W563-K593 HydrophobicContact CE3-CB 4.45Å; W563-K593 HydrophobicContact CE3-CD 3.83Å; W563-K593 HydrophobicContact CE3-CG 3.17Å; W563-K593 HydrophobicContact CG-CG 4.21Å; W563-K593 HydrophobicContact CH2-CB 4.34Å; W563-K593 HydrophobicContact CH2-CG 3.72Å; W563-K593 HydrophobicContact CZ2-CB 4.39Å; W563-K593 HydrophobicContact CZ2-CG 3.97Å; W563-K593 HydrophobicContact CZ3-CB 4.4Å; W563-K593 HydrophobicContact CZ3-CD 4.13Å; W563-K593 HydrophobicContact CZ3-CG 3.35Å
594	D	98.5	Very high	98.2	Very high	0 Å²	0	3.8 Å²	3.8	0%	0	2%	0.018	C	C	.	.			trans	-140.1	96.8	-177.5	-167.3	-30.2	0	0	0	110.8	P297 Y395 I585 H589 I590 L596 W597 A598	P297-D594 HydrophobicContact CB-CB 3.94Å; P297-D594 WeakPolarHBondContact CB-OD2 3.41Å; Y395-D594 VanDerWaalsContact CE2-OD2 3.28Å; Y395-D594 WeakPolarHBondContact CE2-OD2 3.38Å; Y395-D594 PolarHBondContact OH-OD1 3.31Å; Y395-D594 PolarHBondContact OH-OD2 2.88Å; I585-D594 PolarHBondContact O-N 2.63Å; H589-D594 IonicContact NE2-OD2 3.59Å; H589-D594 PolarHBondContact NE2-OD2 2.88Å; I590-D594 HydrophobicContact CD1-CB 3.9Å; D594-L596 PolarHBondContact OD1-N 2.97Å; D594-W597 HydrophobicContact CB-CB 3.65Å; D594-W597 WeakPolarHBondContact OD1-CB 3.34Å; D594-W597 PolarHBondContact OD1-N 3.4Å; D594-A598 PolarHBondContact O-N 3.22Å
595	G	98.6	Very high	98.3	Very high	0 Å²	0	3.8 Å²	3.8	0%	0	2%	0.018	C	C	.	.	H	α-helix	trans	-64.9	-41.1	-177.1	0	0	0	0	0	112.9	F491 G495 N498 A598 L599	F491-G595 VanDerWaalsContact CE1-C 3.45Å; F491-G595 WeakPolarHBondContact CE1-O 3.33Å; G495-G595 PolarHBondContact O-N 3.15Å; G495-G595 VanDerWaalsContact O-N 3.17Å; N498-G595 WeakPolarHBondContact CB-O 3.46Å; G595-A598 PolarHBondContact O-N 3.11Å; G595-L599 PolarHBondContact O-N 3.2Å
596	L	98.8	Very high	98.3	Very high	0 Å²	0	3.6 Å²	3.6	0%	0	2%	0.017	C	C	.	.	H	α-helix	trans	-72.8	-37.9	-179	-179.8	57.6	0	0	0	111.5	Y395 M432 I439 L440 F491 D594 A598 L599 L600	Y395-L596 HydrophobicContact CE1-CD2 4.01Å; M432-L596 HydrophobicContact CE-CB 3.54Å; M432-L596 HydrophobicContact CE-CD2 3.84Å; M432-L596 HydrophobicContact CE-CG 4.26Å; I439-L596 HydrophobicContact CB-CD2 4.4Å; I439-L596 HydrophobicContact CD1-CD2 3.57Å; L440-L596 HydrophobicContact CD1-CD1 4.29Å; L440-L596 HydrophobicContact CD2-CD1 4.09Å; L440-L596 HydrophobicContact CG-CD1 4.27Å; F491-L596 HydrophobicContact CE1-CB 4.18Å; F491-L596 HydrophobicContact CE1-CD1 4.49Å; F491-L596 HydrophobicContact CZ-CB 4.3Å; F491-L596 HydrophobicContact CZ-CD1 3.84Å; D594-L596 PolarHBondContact OD1-N 2.97Å; L596-A598 VanDerWaalsContact C-N 3.28Å; L596-A598 PolarHBondContact O-N 3.05Å; L596-L599 HydrophobicContact CD1-CD2 4.16Å; L596-L599 PolarHBondContact O-N 2.79Å; L596-L600 HydrophobicContact CD1-CG 4.45Å; L596-L600 HydrophobicContact CG-CD1 4.33Å; L596-L600 WeakPolarHBondContact O-CG 3.4Å; L596-L600 PolarHBondContact O-N 2.66Å
597	W	98.8	Very high	98.3	Very high	0 Å²	0	3.8 Å²	3.8	0%	0	2%	0.018	C	C	.	.	H	α-helix	trans	-57.2	-43.4	169.6	179.6	95.1	0	0	0	111.3	M399 F403 I517 F527 L577 I585 S587 H589 D594 L599 L600 A601	M399-W597 HydrophobicContact SD-CB 4.2Å; F403-W597 AromaticContact CE2-CD1 3.4Å; F403-W597 VanDerWaalsContact CE2-CD1 3.4Å; F403-W597 HydrophobicContact CE2-CG 4.04Å; F403-W597 AromaticContact CE2-NE1 3.74Å; F403-W597 AromaticContact CZ-CD1 3.4Å; F403-W597 VanDerWaalsContact CZ-CD1 3.4Å; F403-W597 HydrophobicContact CZ-CD2 4.11Å; F403-W597 AromaticContact CZ-CE2 3.8Å; F403-W597 AromaticContact CZ-CG 3.82Å; F403-W597 HydrophobicContact CZ-CG 3.82Å; F403-W597 AromaticContact CZ-NE1 3.37Å; F403-W597 WeakPolarHBondContact CZ-O 3.37Å; I517-W597 HydrophobicContact CG2-CH2 4.26Å; F527-W597 AromaticContact CE2-CH2 3.96Å; F527-W597 HydrophobicContact CE2-CH2 3.96Å; F527-W597 AromaticContact CE2-CZ2 3.86Å; F527-W597 HydrophobicContact CE2-CZ2 3.86Å; F527-W597 HydrophobicContact CZ-CH2 4.01Å; F527-W597 AromaticContact CZ-CZ2 3.87Å; F527-W597 HydrophobicContact CZ-CZ2 3.87Å; L577-W597 HydrophobicContact CD1-CH2 3.74Å; L577-W597 HydrophobicContact CD1-CZ3 3.81Å; I585-W597 HydrophobicContact CG2-CZ3 4.07Å; S587-W597 VanDerWaalsContact OG-CE2 3.26Å; S587-W597 WeakPolarHBondContact OG-CZ2 3.25Å; H589-W597 AromaticContact CD2-CD1 3.96Å; H589-W597 AromaticContact CE1-CD1 3.46Å; H589-W597 VanDerWaalsContact CE1-CD1 3.46Å; H589-W597 AromaticContact CE1-CD2 3.88Å; H589-W597 AromaticContact CE1-CG 3.55Å; H589-W597 AromaticContact CE1-NE1 3.79Å; H589-W597 AromaticContact ND1-CD1 3.99Å; H589-W597 AromaticContact ND1-NE1 3.91Å; H589-W597 AromaticContact NE2-CD1 3.44Å; H589-W597 AromaticContact NE2-CG 3.74Å; D594-W597 HydrophobicContact CB-CB 3.65Å; D594-W597 WeakPolarHBondContact OD1-CB 3.34Å; D594-W597 PolarHBondContact OD1-N 3.4Å; W597-L599 VanDerWaalsContact C-N 3.35Å; W597-L599 PolarHBondContact O-N 2.88Å; W597-L600 PolarHBondContact O-N 3.49Å; W597-A601 HydrophobicContact CH2-CB 4.48Å; W597-A601 HydrophobicContact CZ3-CB 4.45Å; W597-A601 WeakPolarHBondContact O-CB 3.39Å; W597-A601 PolarHBondContact O-N 2.87Å
598	A	98.8	Very high	98.3	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	4%	0.035	C	C	.	.	H	α-helix	trans	-64.7	-37.1	177.9	0	0	0	0	0	112.4	N498 I585 D594 G595 L596 A601 W602	N498-A598 VanDerWaalsContact OD1-CB 3.28Å; N498-A598 WeakPolarHBondContact OD1-CB 3.39Å; I585-A598 HydrophobicContact CB-CB 4.02Å; I585-A598 HydrophobicContact CG2-CB 4.17Å; D594-A598 PolarHBondContact O-N 3.22Å; G595-A598 PolarHBondContact O-N 3.11Å; L596-A598 VanDerWaalsContact C-N 3.28Å; L596-A598 PolarHBondContact O-N 3.05Å; A598-A601 WeakPolarHBondContact O-CB 3.38Å; A598-A601 PolarHBondContact O-N 3.27Å; A598-W602 PolarHBondContact O-N 3.31Å
599	L	98.9	Very high	98.3	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	3%	0.033	C	C	.	.	H	α-helix	trans	-64	-46.2	170.3	174.3	62.1	0	0	0	111.8	L423 L440 M487 A489 F491 L500 G595 L596 W597 A601 W602 L603	L423-L599 HydrophobicContact CD1-CD1 4.31Å; L423-L599 HydrophobicContact CD2-CD1 4.33Å; L423-L599 HydrophobicContact CD2-CD2 4.16Å; L440-L599 HydrophobicContact CD1-CD2 3.88Å; L440-L599 HydrophobicContact CD2-CD2 4.42Å; M487-L599 HydrophobicContact CE-CD1 3.75Å; A489-L599 HydrophobicContact CB-CD1 3.95Å; A489-L599 HydrophobicContact CB-CD2 4.12Å; F491-L599 HydrophobicContact CE1-CB 4.35Å; F491-L599 HydrophobicContact CE1-CD2 4.46Å; F491-L599 HydrophobicContact CE2-CD2 4.46Å; F491-L599 HydrophobicContact CZ-CB 4.29Å; F491-L599 HydrophobicContact CZ-CD2 3.64Å; L500-L599 HydrophobicContact CD2-CD1 3.87Å; G595-L599 PolarHBondContact O-N 3.2Å; L596-L599 HydrophobicContact CD1-CD2 4.16Å; L596-L599 PolarHBondContact O-N 2.79Å; W597-L599 VanDerWaalsContact C-N 3.35Å; W597-L599 PolarHBondContact O-N 2.88Å; L599-A601 VanDerWaalsContact C-N 3.26Å; L599-A601 PolarHBondContact O-N 3.5Å; L599-W602 WeakPolarHBondContact O-CB 3.46Å; L599-W602 PolarHBondContact O-N 3.27Å; L599-W602 VanDerWaalsContact O-N 3.12Å; L599-L603 HydrophobicContact CD1-CD1 4.44Å; L599-L603 HydrophobicContact CD1-CG 4.27Å; L599-L603 HydrophobicContact CG-CD1 4.21Å; L599-L603 HydrophobicContact CG-CG 4.45Å; L599-L603 WeakPolarHBondContact O-CG 3.33Å; L599-L603 PolarHBondContact O-N 3.13Å
600	L	98.9	Very high	98.3	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-62.8	-32.9	178.6	-71.1	171.5	0	0	0	112.2	M399 F403 I408 L440 L444 L596 W597 L603 S604	M399-L600 HydrophobicContact CB-CD1 4.04Å; M399-L600 HydrophobicContact CG-CD1 4.16Å; M399-L600 HydrophobicContact SD-CD1 4.19Å; F403-L600 HydrophobicContact CD1-CB 4.16Å; F403-L600 HydrophobicContact CD2-CB 3.69Å; F403-L600 HydrophobicContact CD2-CD1 3.74Å; F403-L600 HydrophobicContact CD2-CG 4.3Å; F403-L600 HydrophobicContact CE1-CB 3.94Å; F403-L600 HydrophobicContact CE2-CB 3.44Å; F403-L600 VanDerWaalsContact CE2-CB 3.44Å; F403-L600 HydrophobicContact CE2-CD1 3.75Å; F403-L600 HydrophobicContact CE2-CG 4.25Å; F403-L600 HydrophobicContact CG-CB 4.03Å; F403-L600 HydrophobicContact CZ-CB 3.56Å; I408-L600 HydrophobicContact CD1-CD2 4.24Å; L440-L600 HydrophobicContact CD2-CD2 4.3Å; L444-L600 HydrophobicContact CD1-CD2 3.73Å; L596-L600 HydrophobicContact CD1-CG 4.45Å; L596-L600 HydrophobicContact CG-CD1 4.33Å; L596-L600 WeakPolarHBondContact O-CG 3.4Å; L596-L600 PolarHBondContact O-N 2.66Å; W597-L600 PolarHBondContact O-N 3.49Å; L600-L603 HydrophobicContact CD2-CD1 4.4Å; L600-L603 PolarHBondContact O-N 3.3Å; L600-S604 WeakPolarHBondContact O-CB 3.4Å; L600-S604 PolarHBondContact O-N 2.9Å; L600-S604 PolarHBondContact O-OG 3.5Å
601	A	98.9	Very high	98.2	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-61	-47.6	171.3	0	0	0	0	0	111.4	F403 I517 I524 W597 A598 L599 S604 I605	F403-A601 HydrophobicContact CE1-CB 4.18Å; F403-A601 HydrophobicContact CZ-CB 4.46Å; I517-A601 HydrophobicContact CD1-CB 4.14Å; I517-A601 HydrophobicContact CG1-CB 4.24Å; I517-A601 HydrophobicContact CG2-CB 4.15Å; I524-A601 HydrophobicContact CD1-CB 3.69Å; I524-A601 HydrophobicContact CG1-CB 4.38Å; W597-A601 HydrophobicContact CH2-CB 4.48Å; W597-A601 HydrophobicContact CZ3-CB 4.45Å; W597-A601 WeakPolarHBondContact O-CB 3.39Å; W597-A601 PolarHBondContact O-N 2.87Å; A598-A601 WeakPolarHBondContact O-CB 3.38Å; A598-A601 PolarHBondContact O-N 3.27Å; L599-A601 VanDerWaalsContact C-N 3.26Å; L599-A601 PolarHBondContact O-N 3.5Å; A601-S604 WeakPolarHBondContact O-CB 3.45Å; A601-S604 PolarHBondContact O-N 2.97Å; A601-I605 WeakPolarHBondContact O-CG1 3.24Å; A601-I605 PolarHBondContact O-N 3.43Å; A601-I605 VanDerWaalsContact O-N 3.08Å
602	W	98.9	Very high	98.2	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-62.4	-42.5	174.6	-89.4	90.2	0	0	0	113.1	M487 L500 V508 S513 V516 A598 L599 S604 I605 L606 V618 I621 V622	M487-W602 HydrophobicContact CE-CB 4.14Å; L500-W602 HydrophobicContact CD1-CB 4.21Å; L500-W602 HydrophobicContact CD1-CD2 3.92Å; L500-W602 HydrophobicContact CD1-CG 3.49Å; L500-W602 VanDerWaalsContact CD1-CG 3.49Å; L500-W602 VanDerWaalsContact CD1-NE1 3.26Å; V508-W602 HydrophobicContact CG1-CH2 4.39Å; V508-W602 HydrophobicContact CG1-CZ2 3.94Å; S513-W602 PolarHBondContact OG-NE1 3.47Å; V516-W602 HydrophobicContact CB-CH2 4.15Å; V516-W602 HydrophobicContact CB-CZ2 3.89Å; V516-W602 HydrophobicContact CG1-CH2 3.61Å; V516-W602 HydrophobicContact CG1-CZ2 3.68Å; V516-W602 HydrophobicContact CG1-CZ3 4.19Å; V516-W602 HydrophobicContact CG2-CH2 4.31Å; V516-W602 HydrophobicContact CG2-CZ2 4.36Å; A598-W602 PolarHBondContact O-N 3.31Å; L599-W602 WeakPolarHBondContact O-CB 3.46Å; L599-W602 PolarHBondContact O-N 3.27Å; L599-W602 VanDerWaalsContact O-N 3.12Å; W602-S604 VanDerWaalsContact C-N 3.27Å; W602-S604 PolarHBondContact O-N 3.39Å; W602-I605 PolarHBondContact O-N 3.13Å; W602-L606 WeakPolarHBondContact O-CG 3.2Å; W602-L606 PolarHBondContact O-N 2.77Å; W602-V618 HydrophobicContact CE3-CG2 4.46Å; W602-V618 HydrophobicContact CH2-CG1 4.13Å; W602-V618 HydrophobicContact CZ3-CB 4.41Å; W602-V618 HydrophobicContact CZ3-CG1 3.9Å; W602-V618 HydrophobicContact CZ3-CG2 4.36Å; W602-I621 HydrophobicContact CE3-CD1 4.42Å; W602-I621 HydrophobicContact CH2-CG2 4.27Å; W602-I621 HydrophobicContact CZ3-CB 4.24Å; W602-I621 HydrophobicContact CZ3-CD1 4.01Å; W602-I621 HydrophobicContact CZ3-CG2 4.05Å; W602-V622 HydrophobicContact CH2-CG2 3.85Å
603	L	98.9	Very high	98.1	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-63.4	-34.7	175.6	-67.5	177.6	0	0	0	111.9	I408 L411 L412 F421 L423 L440 L599 L600 L606 A607	I408-L603 HydrophobicContact CD1-CB 4.37Å; I408-L603 HydrophobicContact CG1-CB 4.25Å; I408-L603 HydrophobicContact CG2-CB 3.95Å; I408-L603 HydrophobicContact CG2-CD1 4.02Å; L411-L603 HydrophobicContact CD2-CD2 4.14Å; L412-L603 HydrophobicContact CD2-CD2 4.2Å; F421-L603 HydrophobicContact CE1-CD2 4.46Å; L423-L603 HydrophobicContact CD2-CD1 4.17Å; L423-L603 HydrophobicContact CD2-CD2 4.37Å; L440-L603 HydrophobicContact CD2-CD1 4.4Å; L599-L603 HydrophobicContact CD1-CD1 4.44Å; L599-L603 HydrophobicContact CD1-CG 4.27Å; L599-L603 HydrophobicContact CG-CD1 4.21Å; L599-L603 HydrophobicContact CG-CG 4.45Å; L599-L603 WeakPolarHBondContact O-CG 3.33Å; L599-L603 PolarHBondContact O-N 3.13Å; L600-L603 HydrophobicContact CD2-CD1 4.4Å; L600-L603 PolarHBondContact O-N 3.3Å; L603-L606 HydrophobicContact CD2-CD1 4.39Å; L603-L606 PolarHBondContact O-N 3.22Å; L603-A607 WeakPolarHBondContact O-CB 3.43Å; L603-A607 PolarHBondContact O-N 2.83Å
604	S	98.9	Very high	98	Very high	7 Å²	7	23.8 Å²	23.8	5%	0.049	14%	0.138	C	C	.	.	H	α-helix	trans	-65.6	-41.2	174.5	-58.5	0	0	0	0	112.1	F403 C523 L600 A601 W602 A607 K608	F403-S604 WeakPolarHBondContact CD1-OG 3.15Å; C523-S604 WeakPolarHBondContact O-CB 3.43Å; L600-S604 WeakPolarHBondContact O-CB 3.4Å; L600-S604 PolarHBondContact O-N 2.9Å; L600-S604 PolarHBondContact O-OG 3.5Å; A601-S604 WeakPolarHBondContact O-CB 3.45Å; A601-S604 PolarHBondContact O-N 2.97Å; W602-S604 VanDerWaalsContact C-N 3.27Å; W602-S604 PolarHBondContact O-N 3.39Å; S604-A607 PolarHBondContact O-N 2.87Å; S604-K608 WeakPolarHBondContact O-CB 3.48Å; S604-K608 PolarHBondContact O-N 3.03Å
605	I	98.9	Very high	97.9	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-62.6	-46.9	174.8	-61.3	166.4	0	0	0	110.2	V516 N520 C523 A601 W602 K608 R609 I621	V516-I605 HydrophobicContact CG1-CD1 4.27Å; N520-I605 HydrophobicContact CB-CD1 3.63Å; N520-I605 HydrophobicContact CB-CG1 3.69Å; N520-I605 HydrophobicContact CB-CG2 4.35Å; C523-I605 HydrophobicContact CB-CG1 4.03Å; A601-I605 WeakPolarHBondContact O-CG1 3.24Å; A601-I605 PolarHBondContact O-N 3.43Å; A601-I605 VanDerWaalsContact O-N 3.08Å; W602-I605 PolarHBondContact O-N 3.13Å; I605-K608 PolarHBondContact O-N 3.04Å; I605-R609 WeakPolarHBondContact O-CG 3.3Å; I605-R609 PolarHBondContact O-N 3.29Å; I605-I621 HydrophobicContact CG2-CD1 3.93Å
606	L	98.7	Very high	97.8	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-63.5	-43	177.9	-73.1	163.1	0	0	0	112.1	L411 F421 M487 W602 L603 R609 S610 V616 I621	L411-L606 HydrophobicContact CD2-CB 3.64Å; F421-L606 HydrophobicContact CE1-CD1 4.09Å; F421-L606 HydrophobicContact CE2-CD1 4.3Å; F421-L606 HydrophobicContact CE2-CD2 4.38Å; F421-L606 HydrophobicContact CZ-CD1 3.68Å; F421-L606 HydrophobicContact CZ-CD2 4.44Å; M487-L606 HydrophobicContact SD-CD1 3.91Å; W602-L606 WeakPolarHBondContact O-CG 3.2Å; W602-L606 PolarHBondContact O-N 2.77Å; L603-L606 HydrophobicContact CD2-CD1 4.39Å; L603-L606 PolarHBondContact O-N 3.22Å; L606-R609 PolarHBondContact O-N 2.97Å; L606-S610 PolarHBondContact O-N 3.33Å; L606-V616 HydrophobicContact CB-CG1 4.19Å; L606-V616 HydrophobicContact CD2-CG1 3.99Å; L606-I621 HydrophobicContact CD2-CD1 3.67Å; L606-I621 HydrophobicContact CG-CD1 4.12Å
607	A	98.4	Very high	97.7	Very high	3 Å²	3	31.2 Å²	31.2	3%	0.025	18%	0.182	C	C	.	.	H	α-helix	trans	-63	-44.2	177.2	0	0	0	0	0	110.8	I408 L411 L603 S604 R609 S610 Q611	I408-A607 HydrophobicContact CG1-CB 4.49Å; L411-A607 HydrophobicContact CB-CB 4.13Å; L411-A607 HydrophobicContact CD2-CB 4.22Å; L603-A607 WeakPolarHBondContact O-CB 3.43Å; L603-A607 PolarHBondContact O-N 2.83Å; S604-A607 PolarHBondContact O-N 2.87Å; A607-R609 VanDerWaalsContact C-N 3.35Å; A607-R609 PolarHBondContact O-N 3.37Å; A607-S610 WeakPolarHBondContact O-CB 3.25Å; A607-S610 PolarHBondContact O-N 2.9Å; A607-Q611 WeakPolarHBondContact O-CG 3.32Å; A607-Q611 PolarHBondContact O-N 3.04Å; A607-Q611 VanDerWaalsContact O-N 3.07Å
608	K	98.4	Very high	97.7	Very high	83 Å²	83	31.2 Å²	31.2	36%	0.361	18%	0.182	S	C	.	.	H	α-helix	trans	-61	-43.3	176.4	-174.9	57.7	174.6	-177.8	0	111.9	C523 S604 I605 S610 Q611 I612	C523-K608 HydrophobicContact CB-CB 4.18Å; C523-K608 HydrophobicContact CB-CG 4.5Å; S604-K608 WeakPolarHBondContact O-CB 3.48Å; S604-K608 PolarHBondContact O-N 3.03Å; I605-K608 PolarHBondContact O-N 3.04Å; K608-S610 VanDerWaalsContact C-N 3.32Å; K608-S610 PolarHBondContact O-N 3.47Å; K608-Q611 WeakPolarHBondContact O-CB 3.48Å; K608-Q611 PolarHBondContact O-N 3.39Å; K608-I612 WeakPolarHBondContact O-CG1 3.37Å; K608-I612 PolarHBondContact O-N 3.25Å
609	R	97.7	Very high	97.7	Very high	16 Å²	16	35.5 Å²	35.5	6%	0.06	20%	0.202	C	C	.	.	H	α-helix	trans	-60.6	-41.7	175.5	-72.9	177.3	71.5	89.1	-6.3	112.1	I605 L606 A607 Q611 I612 G613 L614 P615 S620 E624	I605-R609 WeakPolarHBondContact O-CG 3.3Å; I605-R609 PolarHBondContact O-N 3.29Å; L606-R609 PolarHBondContact O-N 2.97Å; A607-R609 VanDerWaalsContact C-N 3.35Å; A607-R609 PolarHBondContact O-N 3.37Å; R609-Q611 VanDerWaalsContact C-N 3.31Å; R609-Q611 PolarHBondContact O-N 3.25Å; R609-I612 PolarHBondContact O-N 2.87Å; R609-G613 PolarHBondContact O-N 3.14Å; R609-G613 VanDerWaalsContact O-N 3.15Å; R609-L614 HydrophobicContact CB-CB 4.01Å; R609-L614 HydrophobicContact CG-CB 4.2Å; R609-L614 HydrophobicContact CG-CD1 4.43Å; R609-L614 PolarHBondContact O-N 3.49Å; R609-P615 PolarHBondContact NE-O 3.1Å; R609-P615 PolarHBondContact NH2-O 3.09Å; R609-P615 VanDerWaalsContact NH2-O 3.14Å; R609-S620 PolarHBondContact NH2-OG 3.03Å; R609-E624 IonicContact CZ-OE1 3.74Å; R609-E624 IonicContact CZ-OE2 2.72Å; R609-E624 IonicContact NH1-OE1 2.73Å; R609-E624 IonicContact NH1-OE2 3.78Å; R609-E624 PolarHBondContact NH1-OE2 2.88Å; R609-E624 IonicContact NH2-OE1 3.45Å; R609-E624 PolarHBondContact NH2-OE1 3.5Å; R609-E624 IonicContact NH2-OE2 2.81Å; R609-E624 PolarHBondContact NH2-OE2 3.23Å
610	S	96.3	Very high	97.6	Very high	38 Å²	38	36.5 Å²	36.5	27%	0.266	21%	0.209	S	C	.	.	H	α-helix	trans	-58.5	-42.6	175.1	-168.4	0	0	0	0	111.9	R418 L606 A607 K608 I612 G613	R418-S610 WeakPolarHBondContact CD-OG 3.33Å; L606-S610 PolarHBondContact O-N 3.33Å; A607-S610 WeakPolarHBondContact O-CB 3.25Å; A607-S610 PolarHBondContact O-N 2.9Å; K608-S610 VanDerWaalsContact C-N 3.32Å; K608-S610 PolarHBondContact O-N 3.47Å; S610-I612 VanDerWaalsContact C-N 3.3Å; S610-I612 PolarHBondContact O-N 2.8Å; S610-G613 PolarHBondContact O-N 3.3Å
611	Q	96	Very high	97.6	Very high	110 Å²	110	36.8 Å²	36.8	51%	0.514	21%	0.211	S	C	.	.	H	α-helix	trans	-66.1	-29.9	179.9	-69.6	172.9	-17.7	0	0	113.8	S407 A607 K608 R609	S407-Q611 PolarHBondContact OG-NE2 2.87Å; A607-Q611 WeakPolarHBondContact O-CG 3.32Å; A607-Q611 PolarHBondContact O-N 3.04Å; A607-Q611 VanDerWaalsContact O-N 3.07Å; K608-Q611 WeakPolarHBondContact O-CB 3.48Å; K608-Q611 PolarHBondContact O-N 3.39Å; R609-Q611 VanDerWaalsContact C-N 3.31Å; R609-Q611 PolarHBondContact O-N 3.25Å
612	I	96.3	Very high	97.6	Very high	98 Å²	98	36.8 Å²	36.8	50%	0.503	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.9	11.9	-176.6	67.7	177	0	0	0	113.2	K608 R609 S610 L614	K608-I612 WeakPolarHBondContact O-CG1 3.37Å; K608-I612 PolarHBondContact O-N 3.25Å; R609-I612 PolarHBondContact O-N 2.87Å; S610-I612 VanDerWaalsContact C-N 3.3Å; S610-I612 PolarHBondContact O-N 2.8Å; I612-L614 VanDerWaalsContact C-N 3.34Å; I612-L614 HydrophobicContact CD1-CD1 3.66Å; I612-L614 HydrophobicContact CD1-CG 4.1Å; I612-L614 HydrophobicContact CG1-CB 4.4Å; I612-L614 HydrophobicContact CG1-CD1 4.09Å; I612-L614 HydrophobicContact CG1-CG 3.98Å; I612-L614 PolarHBondContact O-N 3.09Å
613	G	94.8	Very high	97.6	Very high	71 Å²	71	38.3 Å²	38.3	73%	0.732	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.2	22.8	175.3	0	0	0	0	0	115.1	R609 S610	R609-G613 PolarHBondContact O-N 3.14Å; R609-G613 VanDerWaalsContact O-N 3.15Å; S610-G613 PolarHBondContact O-N 3.3Å
614	L	96.8	Very high	97.5	Very high	74 Å²	74	42 Å²	42	39%	0.387	24%	0.236	S	C	.	.			trans	-89.3	157	173.5	-71.3	-178	0	0	0	111.6	R609 I612 V616	R609-L614 HydrophobicContact CB-CB 4.01Å; R609-L614 HydrophobicContact CG-CB 4.2Å; R609-L614 HydrophobicContact CG-CD1 4.43Å; R609-L614 PolarHBondContact O-N 3.49Å; I612-L614 VanDerWaalsContact C-N 3.34Å; I612-L614 HydrophobicContact CD1-CD1 3.66Å; I612-L614 HydrophobicContact CD1-CG 4.1Å; I612-L614 HydrophobicContact CG1-CB 4.4Å; I612-L614 HydrophobicContact CG1-CD1 4.09Å; I612-L614 HydrophobicContact CG1-CG 3.98Å; I612-L614 PolarHBondContact O-N 3.09Å; L614-V616 WeakPolarHBondContact O-CG2 3.42Å; L614-V616 PolarHBondContact O-N 2.96Å
615	P	96.1	Very high	97.5	Very high	64 Å²	64	42 Å²	42	42%	0.416	24%	0.235	S	C	.	.			trans	-53.9	124.2	176.6	-26.8	34.6	0	0	0	112.8	R609 N617 S620	R609-P615 PolarHBondContact NE-O 3.1Å; R609-P615 PolarHBondContact NH2-O 3.09Å; R609-P615 VanDerWaalsContact NH2-O 3.14Å; P615-N617 PolarHBondContact O-N 3.24Å; P615-S620 PolarHBondContact O-OG 3.16Å
616	V	96.7	Very high	97.5	Very high	37 Å²	37	42.5 Å²	42.5	22%	0.224	24%	0.237	C	C	.	.			trans	-96.3	70.5	-176.6	-169.2	0	0	0	0	110.1	L411 F421 L606 L614	L411-V616 HydrophobicContact CD1-CG1 3.6Å; F421-V616 HydrophobicContact CD2-CG1 4.12Å; F421-V616 HydrophobicContact CE2-CG1 4.17Å; L606-V616 HydrophobicContact CB-CG1 4.19Å; L606-V616 HydrophobicContact CD2-CG1 3.99Å; L614-V616 WeakPolarHBondContact O-CG2 3.42Å; L614-V616 PolarHBondContact O-N 2.96Å
617	N	96.7	Very high	97.5	Very high	54 Å²	54	49.1 Å²	49.1	29%	0.289	27%	0.265	S	S	.	.	S	Bend	trans	-153.4	151	173.7	65.8	81.8	0	0	0	111.5	P615 E619 S620	P615-N617 PolarHBondContact O-N 3.24Å; N617-E619 PolarHBondContact O-N 3.16Å; N617-E619 PolarHBondContact OD1-N 2.92Å; N617-S620 PolarHBondContact ND2-OG 3.37Å; N617-S620 PolarHBondContact O-N 3.06Å; N617-S620 PolarHBondContact O-OG 3.32Å; N617-S620 VanDerWaalsContact OD1-CB 3.29Å; N617-S620 WeakPolarHBondContact OD1-CB 3.14Å; N617-S620 PolarHBondContact OD1-N 3.19Å; N617-S620 PolarHBondContact OD1-OG 3.21Å
618	V	98.4	Very high	97.5	Very high	1 Å²	1	54.8 Å²	54.8	1%	0.006	29%	0.29	C	S	.	.	H	α-helix	trans	-60.1	-45.3	-176	174.8	0	0	0	0	112.3	M487 F506 V508 W602 S620 I621 V622	M487-V618 HydrophobicContact CB-CG2 4.48Å; M487-V618 HydrophobicContact CE-CG2 4.44Å; M487-V618 HydrophobicContact CG-CG2 4.07Å; M487-V618 HydrophobicContact SD-CG2 3.78Å; F506-V618 HydrophobicContact CD1-CG1 4.23Å; V508-V618 HydrophobicContact CG2-CG1 3.31Å; W602-V618 HydrophobicContact CE3-CG2 4.46Å; W602-V618 HydrophobicContact CH2-CG1 4.13Å; W602-V618 HydrophobicContact CZ3-CB 4.41Å; W602-V618 HydrophobicContact CZ3-CG1 3.9Å; W602-V618 HydrophobicContact CZ3-CG2 4.36Å; V618-S620 PolarHBondContact O-N 2.9Å; V618-I621 PolarHBondContact O-N 2.95Å; V618-V622 HydrophobicContact CG1-CG2 4.42Å; V618-V622 PolarHBondContact O-N 2.51Å; V618-V622 VanDerWaalsContact O-N 3.09Å
619	E	97.9	Very high	97.5	Very high	90 Å²	90	51.7 Å²	51.7	42%	0.421	28%	0.276	S	S	.	.	H	α-helix	trans	-59.2	-44.7	-177.8	178.7	174.1	-168.1	0	0	111.9	F506 N617 I621 V622 M623	F506-E619 HydrophobicContact CD1-CB 4.06Å; F506-E619 HydrophobicContact CD2-CB 4.02Å; F506-E619 HydrophobicContact CD2-CG 3.74Å; F506-E619 HydrophobicContact CE1-CB 4.27Å; F506-E619 HydrophobicContact CE2-CB 4.23Å; F506-E619 HydrophobicContact CE2-CG 3.7Å; F506-E619 HydrophobicContact CG-CB 3.94Å; F506-E619 HydrophobicContact CG-CG 4.2Å; F506-E619 HydrophobicContact CZ-CB 4.35Å; F506-E619 HydrophobicContact CZ-CG 4.12Å; N617-E619 PolarHBondContact O-N 3.16Å; N617-E619 PolarHBondContact OD1-N 2.92Å; E619-I621 VanDerWaalsContact C-N 3.31Å; E619-I621 PolarHBondContact O-N 2.86Å; E619-V622 PolarHBondContact O-N 3.31Å; E619-M623 HydrophobicContact CG-CG 4.08Å; E619-M623 WeakPolarHBondContact O-CB 3.35Å; E619-M623 VanDerWaalsContact O-CG 3.24Å; E619-M623 WeakPolarHBondContact O-CG 3.41Å; E619-M623 PolarHBondContact O-N 2.91Å
620	S	98	Very high	97.5	Very high	20 Å²	20	51.2 Å²	51.2	14%	0.14	28%	0.276	C	S	.	.	H	α-helix	trans	-60.2	-40.4	178.5	68.1	0	0	0	0	112.6	R609 P615 N617 V618 E624	R609-S620 PolarHBondContact NH2-OG 3.03Å; P615-S620 PolarHBondContact O-OG 3.16Å; N617-S620 PolarHBondContact ND2-OG 3.37Å; N617-S620 PolarHBondContact O-N 3.06Å; N617-S620 PolarHBondContact O-OG 3.32Å; N617-S620 VanDerWaalsContact OD1-CB 3.29Å; N617-S620 WeakPolarHBondContact OD1-CB 3.14Å; N617-S620 PolarHBondContact OD1-N 3.19Å; N617-S620 PolarHBondContact OD1-OG 3.21Å; V618-S620 PolarHBondContact O-N 2.9Å; S620-E624 VanDerWaalsContact O-CB 3.31Å; S620-E624 WeakPolarHBondContact O-CB 3.3Å; S620-E624 WeakPolarHBondContact O-CG 3.45Å; S620-E624 PolarHBondContact O-N 3.25Å
621	I	98.7	Very high	97.6	Very high	6 Å²	6	50.3 Å²	50.3	3%	0.031	27%	0.267	C	S	.	.	H	α-helix	trans	-64	-47.3	178.3	-63.5	165.8	0	0	0	110	V516 W602 I605 L606 V618 E619 E624 H625	V516-I621 HydrophobicContact CG1-CG2 3.53Å; W602-I621 HydrophobicContact CE3-CD1 4.42Å; W602-I621 HydrophobicContact CH2-CG2 4.27Å; W602-I621 HydrophobicContact CZ3-CB 4.24Å; W602-I621 HydrophobicContact CZ3-CD1 4.01Å; W602-I621 HydrophobicContact CZ3-CG2 4.05Å; I605-I621 HydrophobicContact CG2-CD1 3.93Å; L606-I621 HydrophobicContact CD2-CD1 3.67Å; L606-I621 HydrophobicContact CG-CD1 4.12Å; V618-I621 PolarHBondContact O-N 2.95Å; E619-I621 VanDerWaalsContact C-N 3.31Å; E619-I621 PolarHBondContact O-N 2.86Å; I621-E624 PolarHBondContact O-N 3.09Å; I621-H625 WeakPolarHBondContact O-CB 3.4Å; I621-H625 PolarHBondContact O-N 2.83Å
622	V	98.6	Very high	97.7	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.006	25%	0.246	C	C	.	.	H	α-helix	trans	-67.4	-41.7	-179.3	175.6	0	0	0	0	111.3	F506 V508 V516 W602 V618 E619 E624 H625 W626	F506-V622 HydrophobicContact CE1-CB 3.8Å; F506-V622 HydrophobicContact CE1-CG1 3.97Å; F506-V622 HydrophobicContact CE1-CG2 3.94Å; F506-V622 HydrophobicContact CZ-CB 3.94Å; F506-V622 HydrophobicContact CZ-CG1 3.81Å; V508-V622 HydrophobicContact CG1-CG2 4.33Å; V508-V622 HydrophobicContact CG2-CG2 4.15Å; V516-V622 HydrophobicContact CG2-CG2 4.45Å; W602-V622 HydrophobicContact CH2-CG2 3.85Å; V618-V622 HydrophobicContact CG1-CG2 4.42Å; V618-V622 PolarHBondContact O-N 2.51Å; V618-V622 VanDerWaalsContact O-N 3.09Å; E619-V622 PolarHBondContact O-N 3.31Å; V622-E624 PolarHBondContact O-N 3.41Å; V622-H625 WeakPolarHBondContact O-CB 3.24Å; V622-H625 PolarHBondContact O-N 3.08Å; V622-W626 HydrophobicContact CG1-CD2 3.73Å; V622-W626 HydrophobicContact CG1-CE3 3.99Å; V622-W626 HydrophobicContact CG1-CG 4.5Å; V622-W626 HydrophobicContact CG1-CH2 3.54Å; V622-W626 HydrophobicContact CG1-CZ2 3.23Å; V622-W626 HydrophobicContact CG1-CZ3 3.91Å; V622-W626 PolarHBondContact O-N 3.08Å
623	M	98	Very high	97.7	Very high	31 Å²	31	41.5 Å²	41.5	15%	0.153	22%	0.223	C	C	.	.	H	α-helix	trans	-66	-37.6	176.7	-69.8	-59.8	-65.5	0	0	112.4	E619 W626 K627 T739	E619-M623 HydrophobicContact CG-CG 4.08Å; E619-M623 WeakPolarHBondContact O-CB 3.35Å; E619-M623 VanDerWaalsContact O-CG 3.24Å; E619-M623 WeakPolarHBondContact O-CG 3.41Å; E619-M623 PolarHBondContact O-N 2.91Å; M623-W626 HydrophobicContact SD-CE3 3.53Å; M623-W626 VanDerWaalsContact SD-CE3 3.53Å; M623-W626 HydrophobicContact SD-CZ3 3.63Å; M623-K627 WeakPolarHBondContact O-CB 3.15Å; M623-K627 WeakPolarHBondContact O-CG 3.33Å; M623-K627 PolarHBondContact O-N 3.17Å; M623-T739 HydrophobicContact CE-CG2 3.69Å; M623-T739 HydrophobicContact SD-CG2 4.3Å
624	E	98.1	Very high	97.9	Very high	79 Å²	79	38.3 Å²	38.3	37%	0.369	19%	0.189	S	C	.	.	H	α-helix	trans	-65.1	-43.3	172.2	-75.9	167.6	-154.3	0	0	111.4	R609 S620 I621 V622 K627 K628	R609-E624 IonicContact CZ-OE1 3.74Å; R609-E624 IonicContact CZ-OE2 2.72Å; R609-E624 IonicContact NH1-OE1 2.73Å; R609-E624 IonicContact NH1-OE2 3.78Å; R609-E624 PolarHBondContact NH1-OE2 2.88Å; R609-E624 IonicContact NH2-OE1 3.45Å; R609-E624 PolarHBondContact NH2-OE1 3.5Å; R609-E624 IonicContact NH2-OE2 2.81Å; R609-E624 PolarHBondContact NH2-OE2 3.23Å; S620-E624 VanDerWaalsContact O-CB 3.31Å; S620-E624 WeakPolarHBondContact O-CB 3.3Å; S620-E624 WeakPolarHBondContact O-CG 3.45Å; S620-E624 PolarHBondContact O-N 3.25Å; I621-E624 PolarHBondContact O-N 3.09Å; V622-E624 PolarHBondContact O-N 3.41Å; E624-K627 PolarHBondContact O-N 3.46Å; E624-K628 WeakPolarHBondContact O-CB 3.35Å; E624-K628 PolarHBondContact O-N 3.34Å
625	H	98.6	Very high	98	Very high	7 Å²	7	34.9 Å²	34.9	3%	0.032	17%	0.17	C	C	.	.	H	α-helix	trans	-58.6	-49.7	175.3	-176.9	88.7	0	0	0	111.5	A515 V516 I621 V622 K627 K628 Y629	A515-H625 PolarHBondContact O-CE1 3.46Å; V516-H625 HydrophobicContact CG2-CB 3.97Å; I621-H625 WeakPolarHBondContact O-CB 3.4Å; I621-H625 PolarHBondContact O-N 2.83Å; V622-H625 WeakPolarHBondContact O-CB 3.24Å; V622-H625 PolarHBondContact O-N 3.08Å; H625-K627 PolarHBondContact O-N 2.89Å; H625-K628 PolarHBondContact O-N 2.96Å; H625-K628 VanDerWaalsContact O-N 3.14Å; H625-Y629 AromaticContact CE1-CD2 3.46Å; H625-Y629 VanDerWaalsContact CE1-CD2 3.46Å; H625-Y629 WeakPolarHBondContact CE1-CD2 3.34Å; H625-Y629 AromaticContact CE1-CE2 3.74Å; H625-Y629 AromaticContact CG-CD2 3.99Å; H625-Y629 AromaticContact ND1-CD2 3.56Å; H625-Y629 AromaticContact ND1-CE2 3.71Å; H625-Y629 AromaticContact NE2-CD2 3.81Å; H625-Y629 WeakPolarHBondContact O-CD2 2.99Å; H625-Y629 PolarHBondContact O-N 3.05Å
626	W	98.6	Very high	98	Very high	9 Å²	9	32.1 Å²	32.1	3%	0.034	15%	0.152	C	C	.	.	H	α-helix	trans	-64.9	-36.4	177.2	-64.4	-25.2	0	0	0	112.7	F506 D512 V622 M623 K628 G630 R631 Y738	F506-W626 HydrophobicContact CZ-CH2 4.04Å; F506-W626 HydrophobicContact CZ-CZ3 4.25Å; D512-W626 PolarHBondContact OD1-NE1 3.07Å; V622-W626 HydrophobicContact CG1-CD2 3.73Å; V622-W626 HydrophobicContact CG1-CE3 3.99Å; V622-W626 HydrophobicContact CG1-CG 4.5Å; V622-W626 HydrophobicContact CG1-CH2 3.54Å; V622-W626 HydrophobicContact CG1-CZ2 3.23Å; V622-W626 HydrophobicContact CG1-CZ3 3.91Å; V622-W626 PolarHBondContact O-N 3.08Å; M623-W626 HydrophobicContact SD-CE3 3.53Å; M623-W626 VanDerWaalsContact SD-CE3 3.53Å; M623-W626 HydrophobicContact SD-CZ3 3.63Å; W626-K628 VanDerWaalsContact C-N 3.28Å; W626-K628 PolarHBondContact O-N 3.36Å; W626-G630 CarbonylContact O-C 3.52Å; W626-G630 WeakPolarHBondContact O-CA 3.49Å; W626-G630 PolarHBondContact O-N 2.91Å; W626-R631 HydrophobicContact CB-CB 4.24Å; W626-R631 HydrophobicContact CD2-CB 4.21Å; W626-R631 HydrophobicContact CD2-CG 3.91Å; W626-R631 HydrophobicContact CG-CB 3.9Å; W626-R631 HydrophobicContact CG-CG 4.07Å; W626-R631 HydrophobicContact CZ2-CG 4.22Å; W626-R631 VanDerWaalsContact CZ2-NE 3.33Å; W626-Y738 HydrophobicContact CB-CD2 3.64Å; W626-Y738 HydrophobicContact CB-CE2 3.91Å; W626-Y738 HydrophobicContact CB-CG 4.19Å; W626-Y738 WeakPolarHBondContact CZ3-O 3.39Å; W626-Y738 WeakPolarHBondContact O-CE2 3.29Å; W626-Y738 PolarHBondContact O-OH 3.42Å
627	K	98.2	Very high	98	Very high	139 Å²	139	31.8 Å²	31.8	60%	0.604	15%	0.147	S	C	*	.	H	α-helix	trans	-61.7	-36.9	172.4	-77.2	171	-175.6	176.5	0	112.5	M623 E624 H625	M623-K627 WeakPolarHBondContact O-CB 3.15Å; M623-K627 WeakPolarHBondContact O-CG 3.33Å; M623-K627 PolarHBondContact O-N 3.17Å; E624-K627 PolarHBondContact O-N 3.46Å; H625-K627 PolarHBondContact O-N 2.89Å
628	K	98.2	Very high	97.8	Very high	123 Å²	123	29.5 Å²	29.5	54%	0.535	13%	0.134	S	C	.	.	H	α-helix	trans	-75.6	-39.1	-179.2	-173.8	176.7	174	-166.9	0	112.6	D519 E624 H625 W626	D519-K628 IonicContact OD1-NZ 2.88Å; D519-K628 PolarHBondContact OD1-NZ 2.85Å; D519-K628 IonicContact OD2-NZ 3.56Å; D519-K628 PolarHBondContact OD2-NZ 3.4Å; E624-K628 WeakPolarHBondContact O-CB 3.35Å; E624-K628 PolarHBondContact O-N 3.34Å; H625-K628 PolarHBondContact O-N 2.96Å; H625-K628 VanDerWaalsContact O-N 3.14Å; W626-K628 VanDerWaalsContact C-N 3.28Å; W626-K628 PolarHBondContact O-N 3.36Å
629	Y	98.2	Very high	97.5	Very high	18 Å²	18	29.5 Å²	29.5	7%	0.071	13%	0.134	C	C	.	.	H	α-helix	trans	-114.5	-18.4	-169.1	-64.1	-59.5	0	0	0	115.3	D519 L547 V548 H625 Y731	D519-Y629 HydrophobicContact CB-CE2 4.14Å; D519-Y629 VanDerWaalsContact CG-OH 3.3Å; D519-Y629 PolarHBondContact OD1-OH 3.4Å; D519-Y629 WeakPolarHBondContact OD2-CE2 3.42Å; L547-Y629 HydrophobicContact CB-CD1 4.27Å; L547-Y629 HydrophobicContact CB-CG 4.42Å; L547-Y629 WeakPolarHBondContact CD1-O 3.13Å; V548-Y629 HydrophobicContact CG2-CD2 4.19Å; V548-Y629 HydrophobicContact CG2-CE2 3.94Å; H625-Y629 AromaticContact CE1-CD2 3.46Å; H625-Y629 VanDerWaalsContact CE1-CD2 3.46Å; H625-Y629 WeakPolarHBondContact CE1-CD2 3.34Å; H625-Y629 AromaticContact CE1-CE2 3.74Å; H625-Y629 AromaticContact CG-CD2 3.99Å; H625-Y629 AromaticContact ND1-CD2 3.56Å; H625-Y629 AromaticContact ND1-CE2 3.71Å; H625-Y629 AromaticContact NE2-CD2 3.81Å; H625-Y629 WeakPolarHBondContact O-CD2 2.99Å; H625-Y629 PolarHBondContact O-N 3.05Å; Y629-Y731 WeakPolarHBondContact O-CE2 3.3Å; Y629-Y731 PolarHBondContact O-OH 2.96Å; Y629-Y731 VanDerWaalsContact O-OH 3.12Å
630	G	97.9	Very high	97	Very high	6 Å²	6	27.1 Å²	27.1	6%	0.062	12%	0.123	C	C	.	.			trans	90.9	169.4	-158.8	0	0	0	0	0	111.9	W626 E732 Y738	W626-G630 CarbonylContact O-C 3.52Å; W626-G630 WeakPolarHBondContact O-CA 3.49Å; W626-G630 PolarHBondContact O-N 2.91Å; G630-E732 WeakPolarHBondContact CA-O 3.3Å; G630-Y738 WeakPolarHBondContact CA-OH 3.31Å
631	R	97.9	Very high	96.2	Very high	19 Å²	19	30.2 Å²	30.2	7%	0.072	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	127	178.3	-177	173	-179	-159.6	-9.2	109.9	W626 F633 E732 Y738 I740 S742	W626-R631 HydrophobicContact CB-CB 4.24Å; W626-R631 HydrophobicContact CD2-CB 4.21Å; W626-R631 HydrophobicContact CD2-CG 3.91Å; W626-R631 HydrophobicContact CG-CB 3.9Å; W626-R631 HydrophobicContact CG-CG 4.07Å; W626-R631 HydrophobicContact CZ2-CG 4.22Å; W626-R631 VanDerWaalsContact CZ2-NE 3.33Å; R631-F633 HydrophobicContact CB-CE2 4.47Å; R631-F633 HydrophobicContact CG-CD2 4.26Å; R631-F633 HydrophobicContact CG-CE2 4.25Å; R631-E732 PolarHBondContact N-O 2.87Å; R631-E732 PolarHBondContact O-N 3.41Å; R631-Y738 HydrophobicContact CB-CD1 3.68Å; R631-Y738 HydrophobicContact CB-CE1 3.95Å; R631-Y738 HydrophobicContact CB-CG 4.24Å; R631-Y738 PolarHBondContact NH1-O 2.9Å; R631-I740 PolarHBondContact NH1-O 2.6Å; R631-S742 PolarHBondContact NH2-OG 2.91Å; R631-S742 VanDerWaalsContact NH2-OG 3.14Å
632	Y	98	Very high	95.4	Very high	23 Å²	23	29.9 Å²	29.9	9%	0.09	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	108	159.3	-87.5	-86.9	0	0	0	108.6	R543 A544 L547 F634 D729 T730 Y731	R543-Y632 HydrophobicContact CB-CD1 4.46Å; R543-Y632 HydrophobicContact CB-CE1 3.79Å; R543-Y632 HydrophobicContact CB-CE2 3.89Å; R543-Y632 VanDerWaalsContact CB-CZ 3.46Å; R543-Y632 WeakPolarHBondContact CB-OH 3.37Å; R543-Y632 WeakPolarHBondContact O-CE2 3.07Å; A544-Y632 HydrophobicContact CB-CD2 4.18Å; L547-Y632 HydrophobicContact CD1-CD2 3.84Å; L547-Y632 HydrophobicContact CD1-CE2 3.53Å; L547-Y632 HydrophobicContact CD2-CE2 4.39Å; L547-Y632 HydrophobicContact CG-CE2 3.91Å; Y632-F634 PolarHBondContact O-N 2.9Å; Y632-D729 HydrophobicContact CD1-CB 4.43Å; Y632-T730 CarbonylContact C-O 3.56Å; Y632-T730 WeakPolarHBondContact CA-O 3.38Å; Y632-Y731 AromaticContact CD2-CD2 3.97Å; Y632-Y731 HydrophobicContact CD2-CD2 3.97Å; Y632-Y731 AromaticContact CE2-CD2 3.69Å; Y632-Y731 HydrophobicContact CE2-CD2 3.69Å; Y632-Y731 HydrophobicContact CE2-CE2 4.48Å; Y632-Y731 HydrophobicContact CE2-CG 4.43Å
633	F	98.3	Very high	94.8	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	129.4	164.7	-72.5	-88.9	0	0	0	108	R631 D729 T730 E732 K737 I740 Y745 L746	R631-F633 HydrophobicContact CB-CE2 4.47Å; R631-F633 HydrophobicContact CG-CD2 4.26Å; R631-F633 HydrophobicContact CG-CE2 4.25Å; F633-D729 CarbonylContact O-C 3.52Å; F633-D729 WeakPolarHBondContact O-CA 3.24Å; F633-D729 WeakPolarHBondContact O-CB 3.15Å; F633-T730 HydrophobicContact CB-CG2 4.29Å; F633-T730 PolarHBondContact N-O 3.14Å; F633-T730 PolarHBondContact O-N 3.15Å; F633-E732 HydrophobicContact CD2-CB 3.97Å; F633-E732 HydrophobicContact CE2-CB 3.67Å; F633-E732 HydrophobicContact CE2-CG 4.13Å; F633-K737 WeakPolarHBondContact CZ-O 3.38Å; F633-I740 HydrophobicContact CE1-CB 4.44Å; F633-I740 WeakPolarHBondContact CE1-O 3.31Å; F633-I740 HydrophobicContact CZ-CB 4.49Å; F633-Y745 HydrophobicContact CB-CD1 3.81Å; F633-Y745 HydrophobicContact CB-CE1 4.29Å; F633-Y745 AromaticContact CD1-CD1 3.78Å; F633-Y745 HydrophobicContact CD1-CD1 3.78Å; F633-Y745 AromaticContact CD1-CG 3.73Å; F633-Y745 HydrophobicContact CD1-CG 3.73Å; F633-Y745 AromaticContact CD2-CD1 3.39Å; F633-Y745 HydrophobicContact CD2-CD1 3.39Å; F633-Y745 HydrophobicContact CD2-CD2 4.22Å; F633-Y745 AromaticContact CD2-CE1 3.43Å; F633-Y745 HydrophobicContact CD2-CE1 3.43Å; F633-Y745 VanDerWaalsContact CD2-CE1 3.43Å; F633-Y745 HydrophobicContact CD2-CE2 4.24Å; F633-Y745 AromaticContact CD2-CG 3.82Å; F633-Y745 HydrophobicContact CD2-CG 3.82Å; F633-Y745 AromaticContact CD2-CZ 3.88Å; F633-Y745 HydrophobicContact CE1-CD1 4.1Å; F633-Y745 HydrophobicContact CE1-CD2 4.01Å; F633-Y745 AromaticContact CE1-CG 3.6Å; F633-Y745 HydrophobicContact CE1-CG 3.6Å; F633-Y745 AromaticContact CE2-CD1 3.78Å; F633-Y745 HydrophobicContact CE2-CD1 3.78Å; F633-Y745 AromaticContact CE2-CD2 3.71Å; F633-Y745 HydrophobicContact CE2-CD2 3.71Å; F633-Y745 AromaticContact CE2-CE1 3.81Å; F633-Y745 HydrophobicContact CE2-CE1 3.81Å; F633-Y745 AromaticContact CE2-CE2 3.73Å; F633-Y745 HydrophobicContact CE2-CE2 3.73Å; F633-Y745 AromaticContact CE2-CG 3.74Å; F633-Y745 HydrophobicContact CE2-CG 3.74Å; F633-Y745 AromaticContact CE2-CZ 3.79Å; F633-Y745 AromaticContact CG-CD1 3.37Å; F633-Y745 HydrophobicContact CG-CD1 3.37Å; F633-Y745 AromaticContact CG-CE1 3.89Å; F633-Y745 HydrophobicContact CG-CE1 3.89Å; F633-Y745 AromaticContact CG-CG 3.79Å; F633-Y745 HydrophobicContact CG-CG 3.79Å; F633-Y745 HydrophobicContact CZ-CD1 4.1Å; F633-Y745 AromaticContact CZ-CD2 3.58Å; F633-Y745 HydrophobicContact CZ-CD2 3.58Å; F633-Y745 HydrophobicContact CZ-CE2 4.04Å; F633-Y745 AromaticContact CZ-CG 3.62Å; F633-Y745 HydrophobicContact CZ-CG 3.62Å; F633-L746 HydrophobicContact CB-CD1 4.16Å; F633-L746 HydrophobicContact CB-CD2 3.83Å; F633-L746 HydrophobicContact CB-CG 3.96Å
634	F	98.3	Very high	94.1	Very high	4 Å²	4	37.1 Å²	37.1	2%	0.018	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	143.5	-177.2	172.6	-92.7	0	0	0	109.6	E581 Y632 R636 Y727 V728 D729	E581-F634 HydrophobicContact CB-CE1 4.42Å; E581-F634 HydrophobicContact CB-CE2 4.39Å; E581-F634 HydrophobicContact CB-CZ 3.75Å; E581-F634 HydrophobicContact CG-CZ 3.98Å; Y632-F634 PolarHBondContact O-N 2.9Å; F634-R636 HydrophobicContact CE1-CB 4.27Å; F634-R636 HydrophobicContact CZ-CB 4.13Å; F634-Y727 HydrophobicContact CE2-CD1 4.34Å; F634-Y727 HydrophobicContact CZ-CD1 4.13Å; F634-V728 CarbonylContact C-O 3.43Å; F634-V728 WeakPolarHBondContact CA-O 3.47Å; F634-D729 HydrophobicContact CD2-CB 4.18Å
635	T	97.9	Very high	93.7	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.006	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	152.8	159.3	-168.6	0	0	0	0	111.9	Y637 Y727 V728 Q743 L746 I750 T772	T635-Y637 HydrophobicContact CG2-CD1 4.16Å; T635-Y637 HydrophobicContact CG2-CE1 3.96Å; T635-Y727 WeakPolarHBondContact O-CA 3.31Å; T635-V728 HydrophobicContact CG2-CB 4.1Å; T635-V728 PolarHBondContact N-O 2.77Å; T635-V728 PolarHBondContact O-N 2.73Å; T635-Q743 PolarHBondContact OG1-NE2 3.42Å; T635-L746 HydrophobicContact CG2-CD1 3.8Å; T635-I750 HydrophobicContact CG2-CD1 3.99Å; T635-I750 HydrophobicContact CG2-CG1 4.06Å; T635-T772 CarbonylContact C-O 3.56Å; T635-T772 WeakPolarHBondContact CA-O 3.39Å; T635-T772 WeakPolarHBondContact CB-O 3.41Å; T635-T772 PolarHBondContact OG1-O 3.23Å
636	R	96.9	Very high	93.4	Very high	6 Å²	6	38.2 Å²	38.2	2%	0.023	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	131.9	167.6	-175.8	-176.6	83.5	-157	2.6	110.2	F634 D638 V726 Y727 I771 T772	F634-R636 HydrophobicContact CE1-CB 4.27Å; F634-R636 HydrophobicContact CZ-CB 4.13Å; R636-D638 WeakPolarHBondContact CD-OD1 3.41Å; R636-D638 WeakPolarHBondContact CG-OD1 3.41Å; R636-D638 IonicContact CZ-OD1 3.2Å; R636-D638 IonicContact CZ-OD2 3.07Å; R636-D638 VanDerWaalsContact NE-CG 3.35Å; R636-D638 IonicContact NE-OD1 3.01Å; R636-D638 PolarHBondContact NE-OD1 2.88Å; R636-D638 IonicContact NE-OD2 2.74Å; R636-D638 PolarHBondContact NE-OD2 3.45Å; R636-D638 IonicContact NH2-OD2 2.81Å; R636-D638 PolarHBondContact NH2-OD2 3.37Å; R636-V726 CarbonylContact C-O 3.57Å; R636-V726 WeakPolarHBondContact CA-O 3.2Å; R636-Y727 HydrophobicContact CB-CD1 3.91Å; R636-Y727 HydrophobicContact CB-CE1 4.25Å; R636-Y727 HydrophobicContact CG-CD1 3.56Å; R636-Y727 HydrophobicContact CG-CE1 3.52Å; R636-Y727 HydrophobicContact CG-CG 4.36Å; R636-I771 WeakPolarHBondContact O-CA 3.45Å; R636-T772 PolarHBondContact N-O 3.25Å; R636-T772 PolarHBondContact NH2-OG1 3.23Å; R636-T772 PolarHBondContact O-N 2.85Å
637	Y	96.8	Very high	93	Very high	30 Å²	30	37.8 Å²	37.8	12%	0.118	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	118.7	173.8	-81.4	29.9	0	0	0	108.5	T635 Y639 R725 V726 Q743 I750 L754 P768 I771	T635-Y637 HydrophobicContact CG2-CD1 4.16Å; T635-Y637 HydrophobicContact CG2-CE1 3.96Å; Y637-Y639 HydrophobicContact CD2-CE2 4.46Å; Y637-R725 WeakPolarHBondContact O-CA 3.15Å; Y637-V726 PolarHBondContact N-O 3.3Å; Y637-V726 PolarHBondContact O-N 2.54Å; Y637-Q743 VanDerWaalsContact CE1-OE1 3.32Å; Y637-Q743 PolarHBondContact OH-OE1 3.42Å; Y637-I750 HydrophobicContact CD2-CG2 4.41Å; Y637-I750 HydrophobicContact CE1-CD1 4.34Å; Y637-I750 HydrophobicContact CE2-CG2 3.71Å; Y637-L754 HydrophobicContact CD2-CD1 4.45Å; Y637-L754 HydrophobicContact CD2-CD2 4.41Å; Y637-L754 HydrophobicContact CE2-CD1 4.37Å; Y637-P768 HydrophobicContact CD1-CG 4.35Å; Y637-P768 HydrophobicContact CD2-CB 4.01Å; Y637-P768 HydrophobicContact CD2-CG 3.5Å; Y637-P768 HydrophobicContact CE2-CG 3.85Å; Y637-P768 HydrophobicContact CG-CB 4.05Å; Y637-P768 HydrophobicContact CG-CG 3.77Å; Y637-I771 HydrophobicContact CD1-CG1 4.15Å; Y637-I771 HydrophobicContact CD1-CG2 4.18Å; Y637-I771 HydrophobicContact CE1-CD1 4.09Å; Y637-I771 HydrophobicContact CE1-CG1 4Å; Y637-I771 HydrophobicContact CE1-CG2 3.83Å
638	D	93.4	Very high	92.6	Very high	6 Å²	6	35.3 Å²	35.3	3%	0.032	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	119.7	176	-60.8	-34.2	0	0	0	109.6	R636 T723 R725 P768 N769 V770	R636-D638 WeakPolarHBondContact CD-OD1 3.41Å; R636-D638 WeakPolarHBondContact CG-OD1 3.41Å; R636-D638 IonicContact CZ-OD1 3.2Å; R636-D638 IonicContact CZ-OD2 3.07Å; R636-D638 VanDerWaalsContact NE-CG 3.35Å; R636-D638 IonicContact NE-OD1 3.01Å; R636-D638 PolarHBondContact NE-OD1 2.88Å; R636-D638 IonicContact NE-OD2 2.74Å; R636-D638 PolarHBondContact NE-OD2 3.45Å; R636-D638 IonicContact NH2-OD2 2.81Å; R636-D638 PolarHBondContact NH2-OD2 3.37Å; D638-T723 HydrophobicContact CB-CG2 4.24Å; D638-R725 WeakPolarHBondContact OD1-CD 3.48Å; D638-R725 WeakPolarHBondContact OD1-CG 3.36Å; D638-R725 IonicContact OD1-NE 3.59Å; D638-P768 WeakPolarHBondContact O-CB 3.26Å; D638-N769 PolarHBondContact O-N 2.88Å; D638-V770 HydrophobicContact CB-CB 4.18Å; D638-V770 PolarHBondContact N-O 3.25Å; D638-V770 PolarHBondContact O-N 3.08Å
639	Y	91.7	Very high	92.4	Very high	1 Å²	1	34.9 Å²	34.9	0%	0.004	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	97.8	169.6	-63.4	-96.2	0	0	0	107.9	Y637 C642 T723 L724 V726 L754 V759 R765 A767 P768	Y637-Y639 HydrophobicContact CD2-CE2 4.46Å; Y639-C642 PolarHBondContact O-SG 2.66Å; Y639-C642 VanDerWaalsContact O-SG 3.39Å; Y639-T723 WeakPolarHBondContact O-CA 3.47Å; Y639-L724 HydrophobicContact CD2-CD2 4.35Å; Y639-L724 PolarHBondContact N-O 3.45Å; Y639-L724 PolarHBondContact O-N 2.58Å; Y639-V726 HydrophobicContact CE2-CG2 4.41Å; Y639-L754 HydrophobicContact CE2-CD2 4.04Å; Y639-L754 WeakPolarHBondContact OH-CD2 3.11Å; Y639-V759 HydrophobicContact CD1-CG2 3.9Å; Y639-V759 HydrophobicContact CD2-CG2 4.15Å; Y639-V759 HydrophobicContact CE1-CG1 4.28Å; Y639-V759 HydrophobicContact CE1-CG2 3.99Å; Y639-V759 HydrophobicContact CE2-CG1 4.12Å; Y639-V759 HydrophobicContact CE2-CG2 4.25Å; Y639-V759 HydrophobicContact CG-CG2 3.98Å; Y639-R765 HydrophobicContact CD1-CB 4.08Å; Y639-R765 HydrophobicContact CE1-CB 4.19Å; Y639-A767 VanDerWaalsContact CE1-C 3.49Å; Y639-A767 WeakPolarHBondContact CE1-O 3.49Å; Y639-P768 HydrophobicContact CD2-CB 4.47Å; Y639-P768 HydrophobicContact CE1-CB 4.28Å; Y639-P768 HydrophobicContact CE2-CB 4.21Å
640	E	87	Confident	92.2	Very high	40 Å²	40	34 Å²	34	19%	0.187	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	155.1	-174.4	-62.9	174	169.3	0	0	111.4	Y471 C642 T723 R765 N769	Y471-E640 PolarHBondContact OH-OE1 2.97Å; Y471-E640 PolarHBondContact OH-OE2 3.5Å; E640-C642 PolarHBondContact O-N 2.83Å; E640-T723 HydrophobicContact CG-CG2 4.13Å; E640-R765 PolarHBondContact O-NH1 2.75Å; E640-R765 PolarHBondContact O-NH2 2.78Å; E640-N769 HydrophobicContact CB-CB 4.17Å; E640-N769 HydrophobicContact CG-CB 4Å; E640-N769 PolarHBondContact N-OD1 2.97Å
641	N	80.1	Confident	92.1	Very high	85 Å²	85	35.1 Å²	35.1	46%	0.455	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	56.4	34	178.9	-53.1	-44.4	0	0	0	113.5	S720 R765	N641-S720 PolarHBondContact OD1-O 2.76Å; N641-S720 PolarHBondContact OD1-OG 3.3Å; N641-R765 VanDerWaalsContact C-NH2 3.28Å; N641-R765 PolarHBondContact O-NH2 3.06Å
642	C	83.1	Confident	91.9	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	143.1	167.7	-67	0	0	0	0	108.9	Y639 E640 S644 G721 A722	Y639-C642 PolarHBondContact O-SG 2.66Å; Y639-C642 VanDerWaalsContact O-SG 3.39Å; E640-C642 PolarHBondContact O-N 2.83Å; C642-S644 PolarHBondContact O-N 3.26Å; C642-G721 WeakPolarHBondContact O-CA 3.31Å; C642-A722 WeakPolarHBondContact CB-O 3.48Å; C642-A722 PolarHBondContact N-O 2.82Å; C642-A722 PolarHBondContact O-N 3.38Å
643	E	85.2	Confident	91.7	Very high	121 Å²	121	41.1 Å²	41.1	57%	0.565	22%	0.215	S	C	*	.			trans	-60.2	140.5	169.5	-63.4	179.8	-179.1	0	0	108.9	S645 Q646 G647	E643-S645 PolarHBondContact O-N 3.34Å; E643-Q646 HydrophobicContact CB-CB 4.33Å; E643-Q646 HydrophobicContact CB-CG 3.97Å; E643-Q646 WeakPolarHBondContact O-CB 3.43Å; E643-Q646 PolarHBondContact O-N 3.22Å; E643-G647 PolarHBondContact O-N 3.11Å
644	S	84.4	Confident	91.5	Very high	62 Å²	62	41.1 Å²	41.1	43%	0.434	22%	0.215	S	C	.	.	H	α-helix	trans	-55.6	-40.9	-178.1	-55.1	0	0	0	0	111.7	C642 Q646 G647 D648	C642-S644 PolarHBondContact O-N 3.26Å; S644-Q646 PolarHBondContact O-N 3.14Å; S644-G647 PolarHBondContact O-N 3.33Å; S644-D648 PolarHBondContact O-N 3.17Å
645	S	89.3	Confident	91.2	Very high	74 Å²	74	45 Å²	45	52%	0.517	23%	0.232	S	C	.	.	H	α-helix	trans	-59.4	-40.9	175.5	53.3	0	0	0	0	113.3	E643 D648 E649	E643-S645 PolarHBondContact O-N 3.34Å; S645-D648 PolarHBondContact O-N 2.95Å; S645-E649 WeakPolarHBondContact O-CB 3.34Å; S645-E649 PolarHBondContact O-N 3.32Å
646	Q	91.1	Very high	91	Very high	35 Å²	35	51 Å²	51	16%	0.164	26%	0.258	C	S	.	.	H	α-helix	trans	-68.2	-41.8	176.3	-67.2	172.8	-18.7	0	0	111.1	E643 S644 D648 E649 I650 I762 T763	E643-Q646 HydrophobicContact CB-CB 4.33Å; E643-Q646 HydrophobicContact CB-CG 3.97Å; E643-Q646 WeakPolarHBondContact O-CB 3.43Å; E643-Q646 PolarHBondContact O-N 3.22Å; S644-Q646 PolarHBondContact O-N 3.14Å; Q646-D648 VanDerWaalsContact C-N 3.34Å; Q646-E649 PolarHBondContact O-N 2.81Å; Q646-I650 WeakPolarHBondContact O-CD1 3.48Å; Q646-I650 VanDerWaalsContact O-CG1 3.27Å; Q646-I650 WeakPolarHBondContact O-CG1 3.38Å; Q646-I650 PolarHBondContact O-N 2.94Å; Q646-I762 HydrophobicContact CB-CG2 4Å; Q646-I762 HydrophobicContact CG-CG2 4.24Å; Q646-T763 HydrophobicContact CB-CG2 4.12Å
647	G	90.2	Very high	90.6	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-57.7	-47.7	173.7	0	0	0	0	0	111.7	E643 S644 I650 M651	E643-G647 PolarHBondContact O-N 3.11Å; S644-G647 PolarHBondContact O-N 3.33Å; G647-I650 PolarHBondContact O-N 3.49Å; G647-M651 VanDerWaalsContact O-CG 3.3Å; G647-M651 WeakPolarHBondContact O-CG 3.44Å; G647-M651 PolarHBondContact O-N 2.91Å
648	D	90.4	Very high	90.3	Very high	88 Å²	88	52 Å²	52	47%	0.471	27%	0.265	S	S	.	.	H	α-helix	trans	-63.4	-41.7	177.1	-69.9	-24.4	0	0	0	112.2	S644 S645 Q646 M651 N652	S644-D648 PolarHBondContact O-N 3.17Å; S645-D648 PolarHBondContact O-N 2.95Å; Q646-D648 VanDerWaalsContact C-N 3.34Å; D648-M651 PolarHBondContact O-N 3.37Å; D648-N652 VanDerWaalsContact O-CB 3.27Å; D648-N652 WeakPolarHBondContact O-CB 3.14Å; D648-N652 PolarHBondContact O-N 2.8Å; D648-N652 PolarHBondContact O-ND2 3.47Å
649	E	94.6	Very high	90.1	Very high	113 Å²	113	56.7 Å²	56.7	53%	0.528	29%	0.291	S	S	.	.	H	α-helix	trans	-60.9	-45.5	176.9	-173.2	174.3	178.6	0	0	111.7	S645 Q646 N652 Q653 I762	S645-E649 WeakPolarHBondContact O-CB 3.34Å; S645-E649 PolarHBondContact O-N 3.32Å; Q646-E649 PolarHBondContact O-N 2.81Å; E649-N652 PolarHBondContact O-N 2.9Å; E649-Q653 PolarHBondContact O-N 3.21Å; E649-I762 HydrophobicContact CB-CG2 4.18Å; E649-I762 HydrophobicContact CG-CD1 4.03Å; E649-I762 HydrophobicContact CG-CG1 4.36Å; E649-I762 HydrophobicContact CG-CG2 4.3Å
650	I	94.7	Very high	89.6	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-59.5	-48.8	175.9	-69.6	165.3	0	0	0	110.7	Q646 G647 N652 Q653 L654 L724 C757 V759 I762 T763	Q646-I650 WeakPolarHBondContact O-CD1 3.48Å; Q646-I650 VanDerWaalsContact O-CG1 3.27Å; Q646-I650 WeakPolarHBondContact O-CG1 3.38Å; Q646-I650 PolarHBondContact O-N 2.94Å; G647-I650 PolarHBondContact O-N 3.49Å; I650-N652 VanDerWaalsContact C-N 3.35Å; I650-N652 PolarHBondContact O-N 2.65Å; I650-Q653 PolarHBondContact O-N 2.78Å; I650-L654 HydrophobicContact CG2-CD1 4.06Å; I650-L654 WeakPolarHBondContact O-CG 3.35Å; I650-L654 PolarHBondContact O-N 3.4Å; I650-L724 HydrophobicContact CD1-CD2 3.8Å; I650-L724 HydrophobicContact CG2-CD1 3.93Å; I650-L724 HydrophobicContact CG2-CD2 4.04Å; I650-C757 HydrophobicContact CG2-CB 3.9Å; I650-C757 WeakPolarHBondContact CG2-O 3.3Å; I650-V759 HydrophobicContact CD1-CB 4.29Å; I650-V759 HydrophobicContact CD1-CG2 4.19Å; I650-I762 HydrophobicContact CB-CD1 4.35Å; I650-I762 HydrophobicContact CD1-CG2 4.41Å; I650-I762 HydrophobicContact CG1-CB 4.12Å; I650-I762 HydrophobicContact CG1-CD1 3.51Å; I650-I762 HydrophobicContact CG1-CG1 4.41Å; I650-I762 HydrophobicContact CG1-CG2 4.04Å; I650-T763 HydrophobicContact CD1-CG2 3.89Å
651	M	94.1	Very high	88.5	Confident	29 Å²	29	60.6 Å²	60.6	14%	0.143	31%	0.313	C	S	.	.	H	α-helix	trans	-65.9	-38	-179.5	-66.4	-56.1	-75.9	0	0	111.6	G647 D648 L654 K655 F700 L714 L724	G647-M651 VanDerWaalsContact O-CG 3.3Å; G647-M651 WeakPolarHBondContact O-CG 3.44Å; G647-M651 PolarHBondContact O-N 2.91Å; D648-M651 PolarHBondContact O-N 3.37Å; M651-L654 PolarHBondContact O-N 2.98Å; M651-L654 HydrophobicContact SD-CD1 4.2Å; M651-K655 VanDerWaalsContact O-CB 3.29Å; M651-K655 WeakPolarHBondContact O-CB 3.36Å; M651-K655 PolarHBondContact O-N 3.31Å; M651-F700 HydrophobicContact CB-CE2 4.12Å; M651-F700 HydrophobicContact CE-CD2 3.42Å; M651-F700 VanDerWaalsContact CE-CD2 3.42Å; M651-F700 HydrophobicContact CE-CE2 3.33Å; M651-F700 HydrophobicContact CE-CG 4.33Å; M651-F700 HydrophobicContact CE-CZ 4.16Å; M651-F700 WeakPolarHBondContact O-CE2 3.24Å; M651-F700 HydrophobicContact SD-CD2 4.12Å; M651-F700 HydrophobicContact SD-CE2 4.12Å; M651-L714 HydrophobicContact CG-CB 3.97Å; M651-L714 HydrophobicContact CG-CD2 4.24Å; M651-L714 HydrophobicContact SD-CB 4.28Å; M651-L724 HydrophobicContact SD-CD1 4.44Å
652	N	94.2	Very high	87.5	Confident	103 Å²	103	59.3 Å²	59.3	55%	0.551	32%	0.32	S	S	*	.	H	α-helix	trans	-66.1	-38.4	175.2	-75.4	-38.9	0	0	0	112.3	D648 E649 I650 K655 K656	D648-N652 VanDerWaalsContact O-CB 3.27Å; D648-N652 WeakPolarHBondContact O-CB 3.14Å; D648-N652 PolarHBondContact O-N 2.8Å; D648-N652 PolarHBondContact O-ND2 3.47Å; E649-N652 PolarHBondContact O-N 2.9Å; I650-N652 VanDerWaalsContact C-N 3.35Å; I650-N652 PolarHBondContact O-N 2.65Å; N652-K655 PolarHBondContact O-N 2.63Å; N652-K656 WeakPolarHBondContact O-CB 3.37Å; N652-K656 PolarHBondContact O-N 3.44Å
653	Q	93.5	Very high	86.3	Confident	66 Å²	66	64.9 Å²	64.9	31%	0.308	35%	0.348	S	S	.	.	H	α-helix	trans	-62.8	-47.2	174	179.7	178.3	-52.5	0	0	111.2	E649 I650 K656 L657 L756	E649-Q653 PolarHBondContact O-N 3.21Å; I650-Q653 PolarHBondContact O-N 2.78Å; Q653-K656 WeakPolarHBondContact O-CB 3.42Å; Q653-K656 PolarHBondContact O-N 2.89Å; Q653-L657 WeakPolarHBondContact O-CG 3.31Å; Q653-L657 PolarHBondContact O-N 2.84Å; Q653-L756 PolarHBondContact NE2-O 3.28Å
654	L	94.1	Very high	85.8	Confident	0 Å²	0	62.6 Å²	62.6	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-62.7	-42.4	176.9	-72.8	167.3	0	0	0	111.8	I650 M651 K656 L657 I658 F700 F702 Y712 L756 C757	I650-L654 HydrophobicContact CG2-CD1 4.06Å; I650-L654 WeakPolarHBondContact O-CG 3.35Å; I650-L654 PolarHBondContact O-N 3.4Å; M651-L654 PolarHBondContact O-N 2.98Å; M651-L654 HydrophobicContact SD-CD1 4.2Å; L654-K656 VanDerWaalsContact C-N 3.32Å; L654-K656 PolarHBondContact O-N 3.25Å; L654-L657 WeakPolarHBondContact O-CB 3.25Å; L654-L657 PolarHBondContact O-N 2.96Å; L654-L657 VanDerWaalsContact O-N 3.13Å; L654-I658 WeakPolarHBondContact O-CG1 3.2Å; L654-I658 PolarHBondContact O-N 2.94Å; L654-F700 HydrophobicContact CB-CD2 3.61Å; L654-F700 HydrophobicContact CB-CE2 4.07Å; L654-F700 HydrophobicContact CB-CG 4.45Å; L654-F700 HydrophobicContact CD1-CD2 4.19Å; L654-F702 HydrophobicContact CD2-CE2 4.03Å; L654-F702 HydrophobicContact CD2-CZ 4.39Å; L654-Y712 HydrophobicContact CD1-CD1 3.84Å; L654-Y712 HydrophobicContact CD1-CD2 3.91Å; L654-Y712 HydrophobicContact CD1-CG 3.47Å; L654-Y712 VanDerWaalsContact CD1-CG 3.47Å; L654-Y712 HydrophobicContact CD2-CD1 4.44Å; L654-Y712 HydrophobicContact CD2-CD2 3.87Å; L654-Y712 HydrophobicContact CD2-CE1 4.42Å; L654-Y712 HydrophobicContact CD2-CE2 3.83Å; L654-Y712 HydrophobicContact CD2-CG 4.18Å; L654-Y712 HydrophobicContact CG-CG 4.49Å; L654-L756 HydrophobicContact CD2-CB 4.45Å; L654-C757 HydrophobicContact CD1-CB 3.95Å; L654-C757 HydrophobicContact CD2-CB 4.07Å; L654-C757 HydrophobicContact CG-CB 4.2Å
655	K	93.5	Very high	85.8	Confident	84 Å²	84	61.6 Å²	61.6	37%	0.365	35%	0.345	S	S	.	.	H	α-helix	trans	-58.4	-46.3	174.6	-176.5	174.1	178.6	58.1	0	111.1	M651 N652 L657 I658 D659 F700	M651-K655 VanDerWaalsContact O-CB 3.29Å; M651-K655 WeakPolarHBondContact O-CB 3.36Å; M651-K655 PolarHBondContact O-N 3.31Å; N652-K655 PolarHBondContact O-N 2.63Å; K655-L657 VanDerWaalsContact C-N 3.31Å; K655-L657 PolarHBondContact O-N 3.5Å; K655-I658 WeakPolarHBondContact O-CB 3.39Å; K655-I658 PolarHBondContact O-N 3.08Å; K655-I658 VanDerWaalsContact O-N 3.09Å; K655-D659 IonicContact NZ-OD1 2.61Å; K655-D659 IonicContact NZ-OD2 2.73Å; K655-D659 WeakPolarHBondContact O-CB 3.36Å; K655-D659 VanDerWaalsContact O-CG 3.28Å; K655-D659 PolarHBondContact O-N 3.45Å; K655-F700 HydrophobicContact CB-CE1 4.46Å; K655-F700 HydrophobicContact CB-CE2 4.16Å; K655-F700 HydrophobicContact CB-CZ 3.78Å; K655-F700 HydrophobicContact CG-CZ 4.33Å
656	K	92.3	Very high	85.7	Confident	127 Å²	127	61.6 Å²	61.6	55%	0.552	34%	0.336	S	S	*	.	H	α-helix	trans	-60.4	-40.8	175.1	-178.8	176.1	177.8	-177.4	0	111.6	N652 Q653 L654 I658 D659 D660	N652-K656 WeakPolarHBondContact O-CB 3.37Å; N652-K656 PolarHBondContact O-N 3.44Å; Q653-K656 WeakPolarHBondContact O-CB 3.42Å; Q653-K656 PolarHBondContact O-N 2.89Å; L654-K656 VanDerWaalsContact C-N 3.32Å; L654-K656 PolarHBondContact O-N 3.25Å; K656-I658 VanDerWaalsContact C-N 3.29Å; K656-I658 PolarHBondContact O-N 3.24Å; K656-D659 PolarHBondContact O-N 3.16Å; K656-D660 WeakPolarHBondContact CE-OD2 3.47Å; K656-D660 WeakPolarHBondContact CG-OD2 3.26Å; K656-D660 WeakPolarHBondContact O-CB 2.91Å; K656-D660 PolarHBondContact O-N 3.42Å
657	L	89.9	Confident	85.8	Confident	38 Å²	38	63.1 Å²	63.1	20%	0.199	35%	0.348	C	S	.	.	H	α-helix	trans	-62	-36.8	174.1	-71.7	172.3	0	0	0	112.2	Q653 L654 K655 N661 F702 L756	Q653-L657 WeakPolarHBondContact O-CG 3.31Å; Q653-L657 PolarHBondContact O-N 2.84Å; L654-L657 WeakPolarHBondContact O-CB 3.25Å; L654-L657 PolarHBondContact O-N 2.96Å; L654-L657 VanDerWaalsContact O-N 3.13Å; K655-L657 VanDerWaalsContact C-N 3.31Å; K655-L657 PolarHBondContact O-N 3.5Å; L657-N661 WeakPolarHBondContact CD2-ND2 3.45Å; L657-N661 VanDerWaalsContact O-CA 3.25Å; L657-N661 WeakPolarHBondContact O-CA 3.29Å; L657-N661 WeakPolarHBondContact O-CB 3.45Å; L657-N661 PolarHBondContact O-N 3.14Å; L657-N661 PolarHBondContact O-ND2 2.78Å; L657-N661 VanDerWaalsContact O-ND2 3.17Å; L657-F702 HydrophobicContact CB-CE1 4.41Å; L657-F702 HydrophobicContact CB-CZ 4.05Å; L657-L756 HydrophobicContact CD1-CB 4.41Å; L657-L756 HydrophobicContact CD1-CD2 4.15Å; L657-L756 WeakPolarHBondContact CD1-O 3.43Å
658	I	90.4	Very high	85.9	Confident	19 Å²	19	64.2 Å²	64.2	10%	0.097	35%	0.353	C	S	.	.	H	α-helix	trans	-69.9	-45.4	175.3	-69.9	166.6	0	0	0	111.1	L654 K655 K656 N661 G662 C681 F700 F702	L654-I658 WeakPolarHBondContact O-CG1 3.2Å; L654-I658 PolarHBondContact O-N 2.94Å; K655-I658 WeakPolarHBondContact O-CB 3.39Å; K655-I658 PolarHBondContact O-N 3.08Å; K655-I658 VanDerWaalsContact O-N 3.09Å; K656-I658 VanDerWaalsContact C-N 3.29Å; K656-I658 PolarHBondContact O-N 3.24Å; I658-N661 CarbonylContact O-C 3.3Å; I658-G662 PolarHBondContact O-N 3.11Å; I658-C681 HydrophobicContact CG1-CB 3.99Å; I658-F700 HydrophobicContact CD1-CB 3.63Å; I658-F700 HydrophobicContact CD1-CD1 3.39Å; I658-F700 HydrophobicContact CD1-CD2 4.46Å; I658-F700 HydrophobicContact CD1-CE1 4.21Å; I658-F700 HydrophobicContact CD1-CG 3.57Å; I658-F702 HydrophobicContact CD1-CE2 4.17Å; I658-F702 HydrophobicContact CD1-CZ 4.38Å; I658-F702 HydrophobicContact CG1-CE2 4.06Å; I658-F702 HydrophobicContact CG1-CZ 3.78Å
659	D	88.4	Confident	86.1	Confident	106 Å²	106	63.4 Å²	63.4	57%	0.567	35%	0.351	S	S	*	.	H	α-helix	trans	-67.7	-39.4	-179	-66.5	-19.5	0	0	0	111.2	K655 K656	K655-D659 IonicContact NZ-OD1 2.61Å; K655-D659 IonicContact NZ-OD2 2.73Å; K655-D659 WeakPolarHBondContact O-CB 3.36Å; K655-D659 VanDerWaalsContact O-CG 3.28Å; K655-D659 PolarHBondContact O-N 3.45Å; K656-D659 PolarHBondContact O-N 3.16Å
660	D	80.9	Confident	86	Confident	94 Å²	94	58.3 Å²	58.3	50%	0.503	33%	0.327	S	S	.	.	H	α-helix	trans	-80.3	-35.2	178.4	-68.2	-13.2	0	0	0	112.2	K656	K656-D660 WeakPolarHBondContact CE-OD2 3.47Å; K656-D660 WeakPolarHBondContact CG-OD2 3.26Å; K656-D660 WeakPolarHBondContact O-CB 2.91Å; K656-D660 PolarHBondContact O-N 3.42Å
661	N	65.1	Low	85.7	Confident	28 Å²	28	64.6 Å²	64.6	15%	0.15	37%	0.365	C	S	.	.			trans	-117.6	33.7	-175.2	-50.1	-66.3	0	0	0	114.3	L657 I658 I663 C681	L657-N661 WeakPolarHBondContact CD2-ND2 3.45Å; L657-N661 VanDerWaalsContact O-CA 3.25Å; L657-N661 WeakPolarHBondContact O-CA 3.29Å; L657-N661 WeakPolarHBondContact O-CB 3.45Å; L657-N661 PolarHBondContact O-N 3.14Å; L657-N661 PolarHBondContact O-ND2 2.78Å; L657-N661 VanDerWaalsContact O-ND2 3.17Å; I658-N661 CarbonylContact O-C 3.3Å; N661-I663 PolarHBondContact O-N 2.61Å; N661-C681 PolarHBondContact O-SG 3.23Å
662	G	59	Low	85.5	Confident	58 Å²	58	67 Å²	67	60%	0.598	39%	0.385	S	S	*	.			trans	-58.4	8.2	161.7	0	0	0	0	0	114.1	I658 S664	I658-G662 PolarHBondContact O-N 3.11Å; G662-S664 PolarHBondContact O-N 2.84Å
663	I	56.6	Low	85.4	Confident	118 Å²	118	64.4 Å²	64.4	61%	0.605	38%	0.383	S	S	*	.			trans	-89.7	99.8	-178.8	-51.7	171.4	0	0	0	108.4	N661 G665	N661-I663 PolarHBondContact O-N 2.61Å; I663-G665 PolarHBondContact O-N 3.08Å
664	S	75	Confident	85.5	Confident	73 Å²	73	64.9 Å²	64.9	51%	0.51	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-43.7	133.3	160.9	-173.5	0	0	0	0	110.9	G662 D679	G662-S664 PolarHBondContact O-N 2.84Å; S664-D679 WeakPolarHBondContact CA-O 3.38Å; S664-D679 WeakPolarHBondContact CB-O 3.29Å; S664-D679 PolarHBondContact OG-O 3.5Å
665	G	83.8	Confident	85.6	Confident	40 Å²	40	70.9 Å²	70.9	41%	0.412	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	102	-3.3	177.6	0	0	0	0	0	116.3	I663 V667 C678	I663-G665 PolarHBondContact O-N 3.08Å; G665-V667 PolarHBondContact O-N 3.14Å; G665-C678 PolarHBondContact N-O 3.15Å
666	H	88.8	Confident	85.7	Confident	74 Å²	74	67 Å²	67	34%	0.343	39%	0.393	S	S	.	.			trans	-60.8	133.4	174	-169.8	92.7	0	0	0	111.2	Y668 V677 C678	H666-Y668 HydrophobicContact CB-CE2 4.4Å; H666-Y668 AromaticContact CD2-CD1 3.87Å; H666-Y668 AromaticContact CD2-CD2 3.73Å; H666-Y668 AromaticContact CD2-CE1 3.62Å; H666-Y668 AromaticContact CD2-CE2 3.51Å; H666-Y668 AromaticContact CD2-CG 3.93Å; H666-Y668 AromaticContact CD2-CZ 3.46Å; H666-Y668 VanDerWaalsContact CD2-CZ 3.46Å; H666-Y668 AromaticContact NE2-CE1 3.79Å; H666-V677 WeakPolarHBondContact O-CA 3.42Å; H666-C678 HydrophobicContact CB-CB 4.47Å; H666-C678 PolarHBondContact O-N 3.24Å
667	V	92.5	Very high	85.8	Confident	68 Å²	68	63.4 Å²	63.4	41%	0.412	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	109.8	-178.6	-173.5	0	0	0	0	110	G665 Q675 F676 V677	G665-V667 PolarHBondContact O-N 3.14Å; V667-Q675 HydrophobicContact CG1-CB 3.97Å; V667-Q675 HydrophobicContact CG1-CG 4.12Å; V667-F676 WeakPolarHBondContact CA-O 3.43Å; V667-V677 HydrophobicContact CG2-CG2 4.21Å
668	Y	92.7	Very high	86	Confident	23 Å²	23	61.7 Å²	61.7	9%	0.09	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	136.3	169.8	-63.5	-82.3	0	0	0	109.7	H666 Q675 F676 C678 F704 L752 L756	H666-Y668 HydrophobicContact CB-CE2 4.4Å; H666-Y668 AromaticContact CD2-CD1 3.87Å; H666-Y668 AromaticContact CD2-CD2 3.73Å; H666-Y668 AromaticContact CD2-CE1 3.62Å; H666-Y668 AromaticContact CD2-CE2 3.51Å; H666-Y668 AromaticContact CD2-CG 3.93Å; H666-Y668 AromaticContact CD2-CZ 3.46Å; H666-Y668 VanDerWaalsContact CD2-CZ 3.46Å; H666-Y668 AromaticContact NE2-CE1 3.79Å; Y668-Q675 CarbonylContact O-C 3.46Å; Y668-Q675 VanDerWaalsContact O-CA 3.29Å; Y668-Q675 WeakPolarHBondContact O-CA 3.46Å; Y668-F676 PolarHBondContact N-O 3.09Å; Y668-F676 PolarHBondContact O-N 2.96Å; Y668-C678 HydrophobicContact CD2-CB 4.33Å; Y668-C678 HydrophobicContact CE2-CB 3.88Å; Y668-F704 AromaticContact CD2-CE1 3.86Å; Y668-F704 HydrophobicContact CD2-CE1 3.86Å; Y668-F704 HydrophobicContact CE2-CE1 4.36Å; Y668-L752 HydrophobicContact CD1-CD1 4.33Å; Y668-L752 HydrophobicContact CG-CD1 4.22Å; Y668-L752 HydrophobicContact CG-CD2 4.37Å; Y668-L756 HydrophobicContact CD1-CD2 3.67Å; Y668-L756 HydrophobicContact CE1-CD2 3.38Å; Y668-L756 HydrophobicContact CG-CD2 4.48Å
669	T	94	Very high	86.1	Confident	70 Å²	70	63.6 Å²	63.6	43%	0.429	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	122	178	-54.6	0	0	0	0	109.2	R674 Q675	T669-R674 CarbonylContact C-O 3.59Å; T669-R674 WeakPolarHBondContact CA-O 3.38Å; T669-Q675 HydrophobicContact CG2-CG 4.17Å
670	T	93.5	Very high	86.3	Confident	6 Å²	6	62.6 Å²	62.6	4%	0.037	37%	0.374	C	S	.	.			trans	-69.7	165.7	177.3	67.2	0	0	0	0	111.8	S672 G673 R674 F676 S748 L752	T670-S672 PolarHBondContact O-N 2.79Å; T670-S672 PolarHBondContact OG1-N 2.79Å; T670-S672 PolarHBondContact OG1-OG 2.72Å; T670-G673 WeakPolarHBondContact O-CA 3.21Å; T670-G673 PolarHBondContact O-N 3.4Å; T670-G673 PolarHBondContact OG1-N 3.02Å; T670-R674 HydrophobicContact CG2-CB 4.38Å; T670-R674 PolarHBondContact N-O 3.48Å; T670-R674 PolarHBondContact OG1-N 3.2Å; T670-R674 PolarHBondContact OG1-O 3.4Å; T670-F676 HydrophobicContact CG2-CD2 4.09Å; T670-F676 HydrophobicContact CG2-CE2 3.7Å; T670-S748 WeakPolarHBondContact CG2-O 3.45Å; T670-L752 HydrophobicContact CG2-CB 3.94Å
671	V	87.8	Confident	86.9	Confident	132 Å²	132	58.9 Å²	58.9	80%	0.8	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-32.6	172	-170.8	0	0	0	0	110.4	G673 E751	V671-G673 PolarHBondContact O-N 3.39Å; V671-E751 VanDerWaalsContact CA-OE1 3.3Å; V671-E751 WeakPolarHBondContact CA-OE1 3.12Å; V671-E751 WeakPolarHBondContact CB-OE1 3.31Å; V671-E751 PolarHBondContact N-OE1 3.49Å
672	S	89.7	Confident	88.3	Confident	80 Å²	80	59.6 Å²	59.6	56%	0.559	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-1.6	171.3	86.5	0	0	0	0	114.7	T670 E751	T670-S672 PolarHBondContact O-N 2.79Å; T670-S672 PolarHBondContact OG1-N 2.79Å; T670-S672 PolarHBondContact OG1-OG 2.72Å; S672-E751 PolarHBondContact N-OE1 2.9Å; S672-E751 VanDerWaalsContact N-OE1 3.15Å; S672-E751 PolarHBondContact OG-OE2 2.89Å
673	G	92.9	Very high	89.9	Confident	49 Å²	49	58.9 Å²	58.9	51%	0.505	34%	0.341	S	S	.	.			trans	82.3	6.5	177.4	0	0	0	0	0	115.7	T670 V671	T670-G673 WeakPolarHBondContact O-CA 3.21Å; T670-G673 PolarHBondContact O-N 3.4Å; T670-G673 PolarHBondContact OG1-N 3.02Å; V671-G673 PolarHBondContact O-N 3.39Å
674	R	95.4	Very high	91.8	Very high	75 Å²	75	53.7 Å²	53.7	28%	0.283	31%	0.314	S	S	.	.			trans	-75.6	134.6	175.7	-179.1	175.6	173.6	172.4	-7.2	109.5	T669 T670 F676 D706 S748 H749	T669-R674 CarbonylContact C-O 3.59Å; T669-R674 WeakPolarHBondContact CA-O 3.38Å; T670-R674 HydrophobicContact CG2-CB 4.38Å; T670-R674 PolarHBondContact N-O 3.48Å; T670-R674 PolarHBondContact OG1-N 3.2Å; T670-R674 PolarHBondContact OG1-O 3.4Å; R674-F676 HydrophobicContact CB-CE2 4.21Å; R674-F676 VanDerWaalsContact CD-CZ 3.45Å; R674-F676 HydrophobicContact CG-CD2 4.2Å; R674-F676 HydrophobicContact CG-CE2 3.71Å; R674-F676 HydrophobicContact CG-CZ 4.09Å; R674-F676 VanDerWaalsContact CZ-CZ 3.49Å; R674-D706 IonicContact NH2-OD2 3.06Å; R674-D706 PolarHBondContact NH2-OD2 3.31Å; R674-S748 WeakPolarHBondContact CD-OG 3.37Å; R674-S748 PolarHBondContact NH1-OG 2.94Å; R674-H749 VanDerWaalsContact CZ-NE2 3.34Å; R674-H749 PolarHBondContact NH1-CE1 3.19Å; R674-H749 PolarHBondContact NH1-ND1 3.18Å; R674-H749 PolarHBondContact NH1-NE2 2.8Å; R674-H749 VanDerWaalsContact NH1-NE2 3.16Å; R674-H749 PolarHBondContact NH2-NE2 3.38Å
675	Q	96	Very high	92.8	Very high	127 Å²	127	53 Å²	53	59%	0.593	31%	0.31	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.5	139.5	176.5	-66.1	-173.8	-19.4	0	0	111.6	V667 Y668 T669	V667-Q675 HydrophobicContact CG1-CB 3.97Å; V667-Q675 HydrophobicContact CG1-CG 4.12Å; Y668-Q675 CarbonylContact O-C 3.46Å; Y668-Q675 VanDerWaalsContact O-CA 3.29Å; Y668-Q675 WeakPolarHBondContact O-CA 3.46Å; T669-Q675 HydrophobicContact CG2-CG 4.17Å
676	F	95.1	Very high	93.4	Very high	2 Å²	2	51.8 Å²	51.8	1%	0.009	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	123.4	174.8	-69.4	-90.3	0	0	0	108.9	V667 Y668 T670 R674 F704 T708 H749 L752	V667-F676 WeakPolarHBondContact CA-O 3.43Å; Y668-F676 PolarHBondContact N-O 3.09Å; Y668-F676 PolarHBondContact O-N 2.96Å; T670-F676 HydrophobicContact CG2-CD2 4.09Å; T670-F676 HydrophobicContact CG2-CE2 3.7Å; R674-F676 HydrophobicContact CB-CE2 4.21Å; R674-F676 VanDerWaalsContact CD-CZ 3.45Å; R674-F676 HydrophobicContact CG-CD2 4.2Å; R674-F676 HydrophobicContact CG-CE2 3.71Å; R674-F676 HydrophobicContact CG-CZ 4.09Å; R674-F676 VanDerWaalsContact CZ-CZ 3.49Å; F676-F704 HydrophobicContact CB-CD1 3.59Å; F676-F704 HydrophobicContact CB-CE1 3.7Å; F676-F704 HydrophobicContact CB-CG 4.4Å; F676-F704 HydrophobicContact CD1-CD1 4.48Å; F676-F704 HydrophobicContact CG-CD1 4.48Å; F676-T708 HydrophobicContact CE1-CG2 4.31Å; F676-H749 AromaticContact CE1-CD2 3.46Å; F676-H749 VanDerWaalsContact CE1-CD2 3.46Å; F676-H749 WeakPolarHBondContact CE1-CD2 3.25Å; F676-H749 HydrophobicContact CZ-CB 4.3Å; F676-H749 AromaticContact CZ-CD2 3.72Å; F676-H749 AromaticContact CZ-CG 3.88Å; F676-L752 HydrophobicContact CB-CD2 3.64Å; F676-L752 HydrophobicContact CD1-CD2 4.44Å; F676-L752 HydrophobicContact CD2-CB 4.43Å; F676-L752 HydrophobicContact CD2-CD2 3.39Å; F676-L752 HydrophobicContact CE2-CB 4.35Å; F676-L752 HydrophobicContact CE2-CD2 4.07Å; F676-L752 HydrophobicContact CG-CD2 3.58Å
677	V	94.5	Very high	93.7	Very high	52 Å²	52	52.4 Å²	52.4	32%	0.315	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	112.2	178.9	-171.5	0	0	0	0	108.6	H666 V667 D679 F704 N705	H666-V677 WeakPolarHBondContact O-CA 3.42Å; V667-V677 HydrophobicContact CG2-CG2 4.21Å; V677-D679 PolarHBondContact O-N 2.91Å; V677-F704 VanDerWaalsContact O-CA 3.3Å; V677-F704 WeakPolarHBondContact O-CA 3.49Å; V677-F704 WeakPolarHBondContact O-CB 3.49Å; V677-N705 PolarHBondContact O-N 2.79Å
678	C	93.4	Very high	93.9	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.007	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	125.6	178.9	-169.8	0	0	0	0	109.6	G665 H666 Y668 F704	G665-C678 PolarHBondContact N-O 3.15Å; H666-C678 HydrophobicContact CB-CB 4.47Å; H666-C678 PolarHBondContact O-N 3.24Å; Y668-C678 HydrophobicContact CD2-CB 4.33Å; Y668-C678 HydrophobicContact CE2-CB 3.88Å; C678-F704 HydrophobicContact CB-CD1 4.32Å; C678-F704 HydrophobicContact CB-CE1 4.28Å
679	D	93.1	Very high	94.1	Very high	60 Å²	60	51.7 Å²	51.7	32%	0.321	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	-58.5	172.6	-174.8	13.4	0	0	0	109.6	S664 V677 I703 N705	S664-D679 WeakPolarHBondContact CA-O 3.38Å; S664-D679 WeakPolarHBondContact CB-O 3.29Å; S664-D679 PolarHBondContact OG-O 3.5Å; V677-D679 PolarHBondContact O-N 2.91Å; D679-I703 HydrophobicContact CB-CG2 4.45Å; D679-I703 WeakPolarHBondContact CB-O 3.5Å; D679-I703 PolarHBondContact N-O 2.95Å; D679-N705 VanDerWaalsContact CB-OD1 3.26Å; D679-N705 WeakPolarHBondContact CB-OD1 3.29Å
680	F	92.7	Very high	94.1	Very high	85 Å²	85	51.1 Å²	51.1	37%	0.373	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	160.9	172.7	72.2	-89.6	0	0	0	111.3	I703	F680-I703 HydrophobicContact CD1-CB 3.89Å; F680-I703 HydrophobicContact CD1-CG1 4.17Å; F680-I703 HydrophobicContact CD1-CG2 4.26Å; F680-I703 HydrophobicContact CD2-CG1 4.26Å; F680-I703 HydrophobicContact CE1-CB 3.7Å; F680-I703 HydrophobicContact CE1-CG1 3.62Å; F680-I703 HydrophobicContact CE1-CG2 3.86Å; F680-I703 HydrophobicContact CE2-CB 4.45Å; F680-I703 HydrophobicContact CE2-CG1 3.72Å; F680-I703 HydrophobicContact CG-CB 4.37Å; F680-I703 HydrophobicContact CG-CG1 4.48Å; F680-I703 HydrophobicContact CZ-CB 4.03Å; F680-I703 HydrophobicContact CZ-CG1 3.39Å; F680-I703 HydrophobicContact CZ-CG2 4.46Å; F680-I703 PolarHBondContact N-O 3.31Å; F680-I703 PolarHBondContact O-N 2.98Å
681	C	93.4	Very high	94.1	Very high	15 Å²	15	55.5 Å²	55.5	10%	0.101	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	146.6	169.5	58.8	0	0	0	0	109.9	I658 N661 R701 F702	I658-C681 HydrophobicContact CG1-CB 3.99Å; N661-C681 PolarHBondContact O-SG 3.23Å; C681-R701 CarbonylContact C-O 3.56Å; C681-R701 WeakPolarHBondContact CA-O 3.34Å; C681-R701 WeakPolarHBondContact CB-O 3.24Å; C681-F702 HydrophobicContact CB-CD1 3.68Å; C681-F702 HydrophobicContact CB-CD2 4.41Å; C681-F702 HydrophobicContact CB-CE1 3.88Å; C681-F702 HydrophobicContact CB-CG 3.97Å; C681-F702 HydrophobicContact CB-CZ 4.34Å
682	D	94.1	Very high	94.4	Very high	44 Å²	44	51.5 Å²	51.5	24%	0.235	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	166.1	-176.6	68.9	-12.8	0	0	0	112.3	F700 R701	D682-F700 CarbonylContact O-C 3.4Å; D682-F700 WeakPolarHBondContact O-CA 3.4Å; D682-R701 PolarHBondContact N-O 2.85Å; D682-R701 PolarHBondContact O-N 3.41Å; D682-R701 WeakPolarHBondContact OD1-CB 3.29Å; D682-R701 IonicContact OD1-CZ 3.45Å; D682-R701 IonicContact OD1-NE 3.48Å; D682-R701 PolarHBondContact OD1-NE 3.36Å; D682-R701 IonicContact OD1-NH2 3.53Å; D682-R701 PolarHBondContact OD1-NH2 3.05Å; D682-R701 IonicContact OD2-CZ 3.95Å; D682-R701 IonicContact OD2-NE 2.83Å; D682-R701 IonicContact OD2-NH2 3.74Å; D682-R701 PolarHBondContact OD2-NH2 2.98Å
683	D	94	Very high	94.4	Very high	42 Å²	42	50.1 Å²	50.1	23%	0.225	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	114.9	159.3	-170.6	-6	0	0	0	107.9	S685 N697 Q698 G699 F700	D683-S685 PolarHBondContact O-N 2.85Å; D683-N697 VanDerWaalsContact OD1-CA 3.29Å; D683-N697 WeakPolarHBondContact OD1-CA 3.41Å; D683-N697 WeakPolarHBondContact OD2-CA 3.45Å; D683-N697 PolarHBondContact OD2-OD1 2.96Å; D683-Q698 PolarHBondContact OD1-N 3.19Å; D683-G699 PolarHBondContact OD1-N 3.29Å; D683-F700 HydrophobicContact CB-CD1 3.74Å; D683-F700 HydrophobicContact CB-CE1 3.73Å; D683-F700 WeakPolarHBondContact OD2-CE1 3.45Å
684	F	95.4	Very high	94.5	Very high	9 Å²	9	52.5 Å²	52.5	4%	0.039	29%	0.294	C	S	.	.			trans	-60.1	129.6	-170.5	-175.8	-112.5	0	0	0	111.2	M539 E558 P560 N697 Q698 G699 R701	M539-F684 HydrophobicContact CB-CD1 3.83Å; M539-F684 HydrophobicContact CB-CE1 3.68Å; M539-F684 HydrophobicContact CB-CE2 4.42Å; M539-F684 HydrophobicContact CB-CG 4.3Å; M539-F684 HydrophobicContact CB-CZ 3.99Å; M539-F684 HydrophobicContact CE-CB 4.03Å; M539-F684 HydrophobicContact CE-CD1 4.28Å; M539-F684 HydrophobicContact CE-CG 4.3Å; M539-F684 HydrophobicContact CG-CB 4.29Å; M539-F684 HydrophobicContact CG-CD1 3.75Å; M539-F684 HydrophobicContact CG-CD2 3.87Å; M539-F684 HydrophobicContact CG-CE1 3.99Å; M539-F684 HydrophobicContact CG-CE2 4.06Å; M539-F684 HydrophobicContact CG-CG 3.7Å; M539-F684 HydrophobicContact CG-CZ 4.13Å; E558-F684 HydrophobicContact CG-CE2 4.24Å; E558-F684 HydrophobicContact CG-CZ 3.95Å; E558-F684 WeakPolarHBondContact OE2-CE2 3.39Å; P560-F684 HydrophobicContact CB-CE1 4.43Å; P560-F684 HydrophobicContact CG-CE1 4.04Å; F684-N697 PolarHBondContact O-N 3.03Å; F684-Q698 HydrophobicContact CB-CB 4.33Å; F684-Q698 HydrophobicContact CD1-CB 3.83Å; F684-Q698 WeakPolarHBondContact O-CB 3.45Å; F684-Q698 PolarHBondContact O-N 3.38Å; F684-Q698 VanDerWaalsContact O-N 3.09Å; F684-G699 WeakPolarHBondContact CB-O 3.36Å; F684-G699 PolarHBondContact N-O 2.96Å; F684-R701 HydrophobicContact CB-CG 4.42Å
685	S	95.5	Very high	94.3	Very high	59 Å²	59	50 Å²	50	41%	0.413	29%	0.287	S	S	.	.			trans	-127.4	148.8	170.8	66.5	0	0	0	0	110.2	D683 T695	D683-S685 PolarHBondContact O-N 2.85Å; S685-T695 CarbonylContact C-O 3.54Å; S685-T695 VanDerWaalsContact CA-O 3.25Å; S685-T695 WeakPolarHBondContact CA-O 3.33Å
686	Y	96.1	Very high	94.2	Very high	15 Å²	15	49.8 Å²	49.8	6%	0.059	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	131.2	-178.1	172.1	-106.7	0	0	0	109.9	E558 V559 P560 F565 D688 P689 H694 T695	E558-Y686 WeakPolarHBondContact O-CD2 3.38Å; V559-Y686 HydrophobicContact CB-CE2 4.26Å; V559-Y686 HydrophobicContact CG1-CE2 3.75Å; P560-Y686 VanDerWaalsContact CD-CG 3.45Å; P560-Y686 HydrophobicContact CG-CD1 4.05Å; P560-Y686 HydrophobicContact CG-CG 3.93Å; F565-Y686 HydrophobicContact CD1-CD1 4.02Å; F565-Y686 AromaticContact CD1-CE1 3.82Å; F565-Y686 HydrophobicContact CD1-CE1 3.82Å; F565-Y686 HydrophobicContact CE1-CD1 4.25Å; F565-Y686 HydrophobicContact CE1-CE1 4.44Å; Y686-D688 HydrophobicContact CD1-CB 4.36Å; Y686-D688 VanDerWaalsContact CE1-CA 3.46Å; Y686-D688 HydrophobicContact CE1-CB 3.56Å; Y686-D688 WeakPolarHBondContact CE1-OD2 3.44Å; Y686-D688 PolarHBondContact OH-OD2 2.72Å; Y686-P689 WeakPolarHBondContact OH-CD 3.5Å; Y686-H694 WeakPolarHBondContact O-CA 3.23Å; Y686-H694 PolarHBondContact O-CD2 3.3Å; Y686-T695 PolarHBondContact N-O 3.4Å; Y686-T695 PolarHBondContact O-N 2.96Å
687	V	96.7	Very high	94	Very high	87 Å²	87	55.7 Å²	55.7	53%	0.527	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	115.8	168.3	-179.4	0	0	0	0	106.8	S693 H694	V687-S693 CarbonylContact C-O 3.55Å; V687-S693 WeakPolarHBondContact CA-O 3.28Å; V687-H694 HydrophobicContact CG2-CB 4.48Å
688	D	95.3	Very high	93.8	Very high	3 Å²	3	55.2 Å²	55.2	2%	0.016	31%	0.31	C	S	.	.			trans	-67.6	126.3	-177.5	-166.9	-64.3	0	0	0	110.5	N568 Y686 V690 D691 G692 S693	N568-D688 PolarHBondContact ND2-OD1 3.01Å; N568-D688 PolarHBondContact ND2-OD2 2.9Å; Y686-D688 HydrophobicContact CD1-CB 4.36Å; Y686-D688 VanDerWaalsContact CE1-CA 3.46Å; Y686-D688 HydrophobicContact CE1-CB 3.56Å; Y686-D688 WeakPolarHBondContact CE1-OD2 3.44Å; Y686-D688 PolarHBondContact OH-OD2 2.72Å; D688-V690 PolarHBondContact O-N 3.37Å; D688-V690 WeakPolarHBondContact OD1-CA 3.24Å; D688-V690 WeakPolarHBondContact OD1-CB 3.37Å; D688-V690 WeakPolarHBondContact OD1-CG2 3.33Å; D688-V690 PolarHBondContact OD1-N 2.82Å; D688-D691 WeakPolarHBondContact CB-OD1 3.29Å; D688-G692 WeakPolarHBondContact O-CA 3.15Å; D688-G692 PolarHBondContact O-N 3.34Å; D688-S693 WeakPolarHBondContact CB-OG 3.29Å; D688-S693 PolarHBondContact N-O 3.13Å
689	P	96.9	Very high	93.9	Very high	72 Å²	72	55.5 Å²	55.5	47%	0.468	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-11.4	-176.6	32	-35.7	0	0	0	113.4	Y557 L569 L574 Y686	Y557-P689 HydrophobicContact CD1-CG 4.18Å; Y557-P689 HydrophobicContact CE1-CG 3.92Å; L569-P689 HydrophobicContact CD2-CG 3.61Å; L574-P689 HydrophobicContact CD1-CG 4.2Å; Y686-P689 WeakPolarHBondContact OH-CD 3.5Å
690	V	95	Very high	94	Very high	59 Å²	59	53.3 Å²	53.3	36%	0.358	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-48.5	-178	-176.3	0	0	0	0	111	L569 A572 L574 D688	L569-V690 HydrophobicContact CD2-CG2 4.19Å; A572-V690 HydrophobicContact CB-CB 4.21Å; A572-V690 HydrophobicContact CB-CG1 3.7Å; A572-V690 HydrophobicContact CB-CG2 3.41Å; A572-V690 VanDerWaalsContact CB-CG2 3.41Å; L574-V690 HydrophobicContact CD1-CG2 3.85Å; D688-V690 PolarHBondContact O-N 3.37Å; D688-V690 WeakPolarHBondContact OD1-CA 3.24Å; D688-V690 WeakPolarHBondContact OD1-CB 3.37Å; D688-V690 WeakPolarHBondContact OD1-CG2 3.33Å; D688-V690 PolarHBondContact OD1-N 2.82Å
691	D	93	Very high	94.1	Very high	97 Å²	97	50.4 Å²	50.4	52%	0.519	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.8	-4	-173.4	67.4	16.7	0	0	0	114.7	N568 D688 S693	N568-D691 PolarHBondContact ND2-OD2 3.22Å; D688-D691 WeakPolarHBondContact CB-OD1 3.29Å; D691-S693 PolarHBondContact O-N 2.84Å; D691-S693 WeakPolarHBondContact OD1-CB 3.49Å; D691-S693 PolarHBondContact OD1-N 2.79Å; D691-S693 PolarHBondContact OD1-OG 3.31Å
692	G	93.8	Very high	94.2	Very high	49 Å²	49	49.7 Å²	49.7	51%	0.505	28%	0.283	S	S	.	.			trans	72.1	8.3	-179.8	0	0	0	0	0	114.4	D688	D688-G692 WeakPolarHBondContact O-CA 3.15Å; D688-G692 PolarHBondContact O-N 3.34Å
693	S	91.2	Very high	94.3	Very high	51 Å²	51	48.3 Å²	48.3	36%	0.357	28%	0.275	S	S	.	.			trans	-61.2	143.8	175.1	62.7	0	0	0	0	110.8	V687 D688 D691	V687-S693 CarbonylContact C-O 3.55Å; V687-S693 WeakPolarHBondContact CA-O 3.28Å; D688-S693 WeakPolarHBondContact CB-OG 3.29Å; D688-S693 PolarHBondContact N-O 3.13Å; D691-S693 PolarHBondContact O-N 2.84Å; D691-S693 WeakPolarHBondContact OD1-CB 3.49Å; D691-S693 PolarHBondContact OD1-N 2.79Å; D691-S693 PolarHBondContact OD1-OG 3.31Å
694	H	93.8	Very high	94.3	Very high	99 Å²	99	46.5 Å²	46.5	46%	0.458	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	114.8	-175	-174.5	-177.9	0	0	0	110.3	Y686 V687 K696	Y686-H694 WeakPolarHBondContact O-CA 3.23Å; Y686-H694 PolarHBondContact O-CD2 3.3Å; V687-H694 HydrophobicContact CG2-CB 4.48Å; H694-K696 WeakPolarHBondContact CE1-CE 3.45Å; H694-K696 WeakPolarHBondContact ND1-CE 3.29Å; H694-K696 WeakPolarHBondContact NE2-CE 3.44Å; H694-K696 WeakPolarHBondContact NE2-CG 3.35Å
695	T	91.6	Very high	94.3	Very high	21 Å²	21	50.9 Å²	50.9	13%	0.129	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	125.8	174.8	-53.2	0	0	0	0	109.5	F565 S685 Y686 Q698	F565-T695 HydrophobicContact CZ-CG2 4.09Å; S685-T695 CarbonylContact C-O 3.54Å; S685-T695 VanDerWaalsContact CA-O 3.25Å; S685-T695 WeakPolarHBondContact CA-O 3.33Å; Y686-T695 PolarHBondContact N-O 3.4Å; Y686-T695 PolarHBondContact O-N 2.96Å; T695-Q698 VanDerWaalsContact CG2-CD 3.44Å; T695-Q698 HydrophobicContact CG2-CG 3.8Å; T695-Q698 VanDerWaalsContact CG2-NE2 3.28Å
696	K	93	Very high	94.1	Very high	123 Å²	123	51.4 Å²	51.4	54%	0.535	29%	0.287	S	S	.	.			trans	-114.2	172.7	-180	-64.1	-179	178.5	-179	0	111.2	H694 Q698	H694-K696 WeakPolarHBondContact CE1-CE 3.45Å; H694-K696 WeakPolarHBondContact ND1-CE 3.29Å; H694-K696 WeakPolarHBondContact NE2-CE 3.44Å; H694-K696 WeakPolarHBondContact NE2-CG 3.35Å; K696-Q698 PolarHBondContact O-N 3.42Å; K696-Q698 PolarHBondContact O-NE2 3.02Å
697	N	90.6	Very high	93.9	Very high	127 Å²	127	51.6 Å²	51.6	68%	0.679	29%	0.294	S	S	*	.			trans	60.9	42.6	169.9	-47	-24	0	0	0	113.2	D683 F684	D683-N697 VanDerWaalsContact OD1-CA 3.29Å; D683-N697 WeakPolarHBondContact OD1-CA 3.41Å; D683-N697 WeakPolarHBondContact OD2-CA 3.45Å; D683-N697 PolarHBondContact OD2-OD1 2.96Å; F684-N697 PolarHBondContact O-N 3.03Å
698	Q	91.8	Very high	93.9	Very high	42 Å²	42	47.4 Å²	47.4	20%	0.196	27%	0.268	C	S	.	.			trans	-92.9	-7	-172.2	-64.5	-59.5	-63.9	0	0	113.5	P560 D683 F684 T695 K696 R713	P560-Q698 HydrophobicContact CB-CB 4.21Å; P560-Q698 HydrophobicContact CB-CG 3.8Å; P560-Q698 HydrophobicContact CG-CG 3.97Å; D683-Q698 PolarHBondContact OD1-N 3.19Å; F684-Q698 HydrophobicContact CB-CB 4.33Å; F684-Q698 HydrophobicContact CD1-CB 3.83Å; F684-Q698 WeakPolarHBondContact O-CB 3.45Å; F684-Q698 PolarHBondContact O-N 3.38Å; F684-Q698 VanDerWaalsContact O-N 3.09Å; T695-Q698 VanDerWaalsContact CG2-CD 3.44Å; T695-Q698 HydrophobicContact CG2-CG 3.8Å; T695-Q698 VanDerWaalsContact CG2-NE2 3.28Å; K696-Q698 PolarHBondContact O-N 3.42Å; K696-Q698 PolarHBondContact O-NE2 3.02Å; Q698-R713 PolarHBondContact O-NE 2.86Å; Q698-R713 VanDerWaalsContact O-NE 3.1Å
699	G	94.1	Very high	94	Very high	6 Å²	6	47.4 Å²	47.4	6%	0.062	27%	0.268	C	S	.	.			trans	142	152.1	177	0	0	0	0	0	112.3	D683 F684 Y712	D683-G699 PolarHBondContact OD1-N 3.29Å; F684-G699 WeakPolarHBondContact CB-O 3.36Å; F684-G699 PolarHBondContact N-O 2.96Å; G699-Y712 WeakPolarHBondContact CA-O 3.45Å
700	F	95.6	Very high	94.1	Very high	14 Å²	14	44 Å²	44	6%	0.061	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	135.8	-178.2	-62.6	-39.7	0	0	0	111.2	M651 L654 K655 I658 D682 D683 V711 Y712	M651-F700 HydrophobicContact CB-CE2 4.12Å; M651-F700 HydrophobicContact CE-CD2 3.42Å; M651-F700 VanDerWaalsContact CE-CD2 3.42Å; M651-F700 HydrophobicContact CE-CE2 3.33Å; M651-F700 HydrophobicContact CE-CG 4.33Å; M651-F700 HydrophobicContact CE-CZ 4.16Å; M651-F700 WeakPolarHBondContact O-CE2 3.24Å; M651-F700 HydrophobicContact SD-CD2 4.12Å; M651-F700 HydrophobicContact SD-CE2 4.12Å; L654-F700 HydrophobicContact CB-CD2 3.61Å; L654-F700 HydrophobicContact CB-CE2 4.07Å; L654-F700 HydrophobicContact CB-CG 4.45Å; L654-F700 HydrophobicContact CD1-CD2 4.19Å; K655-F700 HydrophobicContact CB-CE1 4.46Å; K655-F700 HydrophobicContact CB-CE2 4.16Å; K655-F700 HydrophobicContact CB-CZ 3.78Å; K655-F700 HydrophobicContact CG-CZ 4.33Å; I658-F700 HydrophobicContact CD1-CB 3.63Å; I658-F700 HydrophobicContact CD1-CD1 3.39Å; I658-F700 HydrophobicContact CD1-CD2 4.46Å; I658-F700 HydrophobicContact CD1-CE1 4.21Å; I658-F700 HydrophobicContact CD1-CG 3.57Å; D682-F700 CarbonylContact O-C 3.4Å; D682-F700 WeakPolarHBondContact O-CA 3.4Å; D683-F700 HydrophobicContact CB-CD1 3.74Å; D683-F700 HydrophobicContact CB-CE1 3.73Å; D683-F700 WeakPolarHBondContact OD2-CE1 3.45Å; F700-V711 CarbonylContact O-C 3.42Å; F700-V711 VanDerWaalsContact O-CA 3.28Å; F700-V711 WeakPolarHBondContact O-CA 3.36Å; F700-Y712 HydrophobicContact CB-CD2 4.42Å; F700-Y712 PolarHBondContact N-O 3.45Å; F700-Y712 PolarHBondContact O-N 2.82Å
701	R	95.6	Very high	94.2	Very high	25 Å²	25	41.2 Å²	41.2	9%	0.094	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	141.2	176.6	-43.5	-175	-64.3	-178.6	-3.8	110.6	M539 E558 C681 D682 F684 F710 V711	M539-R701 HydrophobicContact CE-CG 4.42Å; M539-R701 VanDerWaalsContact SD-CD 3.54Å; M539-R701 HydrophobicContact SD-CG 3.87Å; E558-R701 IonicContact OE1-NH1 3.62Å; E558-R701 IonicContact OE2-NH1 3.66Å; E558-R701 PolarHBondContact OE2-NH1 3.22Å; C681-R701 CarbonylContact C-O 3.56Å; C681-R701 WeakPolarHBondContact CA-O 3.34Å; C681-R701 WeakPolarHBondContact CB-O 3.24Å; D682-R701 PolarHBondContact N-O 2.85Å; D682-R701 PolarHBondContact O-N 3.41Å; D682-R701 WeakPolarHBondContact OD1-CB 3.29Å; D682-R701 IonicContact OD1-CZ 3.45Å; D682-R701 IonicContact OD1-NE 3.48Å; D682-R701 PolarHBondContact OD1-NE 3.36Å; D682-R701 IonicContact OD1-NH2 3.53Å; D682-R701 PolarHBondContact OD1-NH2 3.05Å; D682-R701 IonicContact OD2-CZ 3.95Å; D682-R701 IonicContact OD2-NE 2.83Å; D682-R701 IonicContact OD2-NH2 3.74Å; D682-R701 PolarHBondContact OD2-NH2 2.98Å; F684-R701 HydrophobicContact CB-CG 4.42Å; R701-F710 CarbonylContact C-O 3.49Å; R701-F710 VanDerWaalsContact CA-O 3.28Å; R701-F710 WeakPolarHBondContact CA-O 3.43Å; R701-V711 HydrophobicContact CG-CG2 4.2Å
702	F	95.5	Very high	94.4	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	120.6	168.5	-70.9	-106.9	0	0	0	107.5	L654 L657 I658 C681 F704 R709 F710 Y712 L756	L654-F702 HydrophobicContact CD2-CE2 4.03Å; L654-F702 HydrophobicContact CD2-CZ 4.39Å; L657-F702 HydrophobicContact CB-CE1 4.41Å; L657-F702 HydrophobicContact CB-CZ 4.05Å; I658-F702 HydrophobicContact CD1-CE2 4.17Å; I658-F702 HydrophobicContact CD1-CZ 4.38Å; I658-F702 HydrophobicContact CG1-CE2 4.06Å; I658-F702 HydrophobicContact CG1-CZ 3.78Å; C681-F702 HydrophobicContact CB-CD1 3.68Å; C681-F702 HydrophobicContact CB-CD2 4.41Å; C681-F702 HydrophobicContact CB-CE1 3.88Å; C681-F702 HydrophobicContact CB-CG 3.97Å; C681-F702 HydrophobicContact CB-CZ 4.34Å; F702-F704 HydrophobicContact CB-CE2 3.88Å; F702-F704 HydrophobicContact CB-CZ 4.11Å; F702-R709 CarbonylContact O-C 3.38Å; F702-R709 VanDerWaalsContact O-CA 3.29Å; F702-R709 WeakPolarHBondContact O-CA 3.42Å; F702-F710 HydrophobicContact CB-CB 4.33Å; F702-F710 HydrophobicContact CB-CD2 4.38Å; F702-F710 PolarHBondContact N-O 2.82Å; F702-F710 PolarHBondContact O-N 3.47Å; F702-Y712 HydrophobicContact CD2-CD2 4.11Å; F702-Y712 AromaticContact CD2-CE2 3.65Å; F702-Y712 HydrophobicContact CD2-CE2 3.65Å; F702-Y712 HydrophobicContact CE2-CD2 4.23Å; F702-Y712 AromaticContact CE2-CE2 3.94Å; F702-Y712 HydrophobicContact CE2-CE2 3.94Å; F702-L756 HydrophobicContact CD1-CD1 4.44Å
703	I	95.2	Very high	94.4	Very high	15 Å²	15	35.8 Å²	35.8	8%	0.077	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	135.7	179.1	-53	-59.8	0	0	0	108.2	D679 F680 R709	D679-I703 HydrophobicContact CB-CG2 4.45Å; D679-I703 WeakPolarHBondContact CB-O 3.5Å; D679-I703 PolarHBondContact N-O 2.95Å; F680-I703 HydrophobicContact CD1-CB 3.89Å; F680-I703 HydrophobicContact CD1-CG1 4.17Å; F680-I703 HydrophobicContact CD1-CG2 4.26Å; F680-I703 HydrophobicContact CD2-CG1 4.26Å; F680-I703 HydrophobicContact CE1-CB 3.7Å; F680-I703 HydrophobicContact CE1-CG1 3.62Å; F680-I703 HydrophobicContact CE1-CG2 3.86Å; F680-I703 HydrophobicContact CE2-CB 4.45Å; F680-I703 HydrophobicContact CE2-CG1 3.72Å; F680-I703 HydrophobicContact CG-CB 4.37Å; F680-I703 HydrophobicContact CG-CG1 4.48Å; F680-I703 HydrophobicContact CZ-CB 4.03Å; F680-I703 HydrophobicContact CZ-CG1 3.39Å; F680-I703 HydrophobicContact CZ-CG2 4.46Å; F680-I703 PolarHBondContact N-O 3.31Å; F680-I703 PolarHBondContact O-N 2.98Å; I703-R709 HydrophobicContact CD1-CB 3.63Å; I703-R709 VanDerWaalsContact CD1-CD 3.4Å; I703-R709 HydrophobicContact CD1-CG 3.34Å
704	F	95.6	Very high	94.2	Very high	3 Å²	3	35.9 Å²	35.9	1%	0.013	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	155.2	-178.6	-58.7	-93.4	0	0	0	111	Y668 F676 V677 C678 F702 D706 G707 T708 F710 L752 L756	Y668-F704 AromaticContact CD2-CE1 3.86Å; Y668-F704 HydrophobicContact CD2-CE1 3.86Å; Y668-F704 HydrophobicContact CE2-CE1 4.36Å; F676-F704 HydrophobicContact CB-CD1 3.59Å; F676-F704 HydrophobicContact CB-CE1 3.7Å; F676-F704 HydrophobicContact CB-CG 4.4Å; F676-F704 HydrophobicContact CD1-CD1 4.48Å; F676-F704 HydrophobicContact CG-CD1 4.48Å; V677-F704 VanDerWaalsContact O-CA 3.3Å; V677-F704 WeakPolarHBondContact O-CA 3.49Å; V677-F704 WeakPolarHBondContact O-CB 3.49Å; C678-F704 HydrophobicContact CB-CD1 4.32Å; C678-F704 HydrophobicContact CB-CE1 4.28Å; F702-F704 HydrophobicContact CB-CE2 3.88Å; F702-F704 HydrophobicContact CB-CZ 4.11Å; F704-D706 PolarHBondContact O-N 2.94Å; F704-G707 PolarHBondContact O-N 2.89Å; F704-T708 HydrophobicContact CD2-CG2 3.92Å; F704-T708 WeakPolarHBondContact CD2-O 3.2Å; F704-T708 HydrophobicContact CE2-CG2 4.44Å; F704-T708 PolarHBondContact N-O 3.4Å; F704-F710 HydrophobicContact CD2-CE2 4.38Å; F704-F710 HydrophobicContact CE2-CD1 4.45Å; F704-F710 AromaticContact CE2-CD2 3.41Å; F704-F710 HydrophobicContact CE2-CD2 3.41Å; F704-F710 VanDerWaalsContact CE2-CD2 3.41Å; F704-F710 HydrophobicContact CE2-CE1 4.34Å; F704-F710 AromaticContact CE2-CE2 3.29Å; F704-F710 HydrophobicContact CE2-CE2 3.29Å; F704-F710 HydrophobicContact CE2-CG 4Å; F704-F710 AromaticContact CE2-CZ 3.79Å; F704-F710 HydrophobicContact CE2-CZ 3.79Å; F704-F710 AromaticContact CZ-CD2 3.73Å; F704-F710 HydrophobicContact CZ-CD2 3.73Å; F704-F710 AromaticContact CZ-CE2 3.39Å; F704-F710 HydrophobicContact CZ-CE2 3.39Å; F704-F710 HydrophobicContact CZ-CZ 4.16Å; F704-L752 HydrophobicContact CE1-CD2 4.15Å; F704-L752 HydrophobicContact CZ-CD2 4.09Å; F704-L756 HydrophobicContact CZ-CD1 4.48Å
705	N	93.7	Very high	93.4	Very high	101 Å²	101	31.7 Å²	31.7	54%	0.54	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-22.9	-176.8	-75.3	-21.4	0	0	0	114.2	V677 D679 G707	V677-N705 PolarHBondContact O-N 2.79Å; D679-N705 VanDerWaalsContact CB-OD1 3.26Å; D679-N705 WeakPolarHBondContact CB-OD1 3.29Å; N705-G707 PolarHBondContact O-N 3.36Å
706	D	92.7	Very high	92.1	Very high	70 Å²	70	34.1 Å²	34.1	37%	0.374	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	4.1	175.7	71.7	-9.9	0	0	0	112.9	R674 F704 T708	R674-D706 IonicContact NH2-OD2 3.06Å; R674-D706 PolarHBondContact NH2-OD2 3.31Å; F704-D706 PolarHBondContact O-N 2.94Å; D706-T708 VanDerWaalsContact C-N 3.33Å; D706-T708 VanDerWaalsContact CG-OG1 3.27Å; D706-T708 WeakPolarHBondContact OD1-CB 3.24Å; D706-T708 PolarHBondContact OD1-N 3.42Å; D706-T708 PolarHBondContact OD1-OG1 3.35Å; D706-T708 PolarHBondContact OD2-OG1 2.84Å
707	G	91.1	Very high	90.1	Very high	19 Å²	19	31.7 Å²	31.7	20%	0.196	19%	0.189	C	C	.	.	S	Bend	trans	85.4	2.3	-176.5	0	0	0	0	0	113.5	R543 F704 N705	R543-G707 PolarHBondContact NH2-O 2.92Å; F704-G707 PolarHBondContact O-N 2.89Å; N705-G707 PolarHBondContact O-N 3.36Å
708	T	97.3	Very high	88	Confident	0 Å²	0	26.9 Å²	26.9	0%	0	17%	0.169	C	C	.	.			trans	-66	143.4	171.3	-57.7	0	0	0	0	110.8	F676 F704 D706 F710 D729 T730 H749	F676-T708 HydrophobicContact CE1-CG2 4.31Å; F704-T708 HydrophobicContact CD2-CG2 3.92Å; F704-T708 WeakPolarHBondContact CD2-O 3.2Å; F704-T708 HydrophobicContact CE2-CG2 4.44Å; F704-T708 PolarHBondContact N-O 3.4Å; D706-T708 VanDerWaalsContact C-N 3.33Å; D706-T708 VanDerWaalsContact CG-OG1 3.27Å; D706-T708 WeakPolarHBondContact OD1-CB 3.24Å; D706-T708 PolarHBondContact OD1-N 3.42Å; D706-T708 PolarHBondContact OD1-OG1 3.35Å; D706-T708 PolarHBondContact OD2-OG1 2.84Å; T708-F710 HydrophobicContact CG2-CD1 4Å; T708-F710 HydrophobicContact CG2-CE1 3.3Å; T708-F710 HydrophobicContact CG2-CZ 3.8Å; T708-D729 CarbonylContact C-O 3.58Å; T708-D729 WeakPolarHBondContact CA-O 3.48Å; T708-T730 PolarHBondContact OG1-OG1 3.35Å; T708-H749 PolarHBondContact OG1-CD2 3.13Å
709	R	97.6	Very high	85.9	Confident	3 Å²	3	29.3 Å²	29.3	1%	0.011	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	132.8	173	171.5	172.1	74.9	149.6	20.6	110.4	M539 P540 T541 R543 E558 F702 I703 V711 V728 D729	M539-R709 PolarHBondContact O-NH1 3.05Å; M539-R709 PolarHBondContact O-NH2 2.63Å; P540-R709 PolarHBondContact O-NH2 3.03Å; T541-R709 PolarHBondContact O-NH2 2.92Å; R543-R709 VanDerWaalsContact NH2-CB 3.33Å; E558-R709 IonicContact OE1-NH1 3.83Å; E558-R709 PolarHBondContact OE1-NH1 2.88Å; F702-R709 CarbonylContact O-C 3.38Å; F702-R709 VanDerWaalsContact O-CA 3.29Å; F702-R709 WeakPolarHBondContact O-CA 3.42Å; I703-R709 HydrophobicContact CD1-CB 3.63Å; I703-R709 VanDerWaalsContact CD1-CD 3.4Å; I703-R709 HydrophobicContact CD1-CG 3.34Å; R709-V711 HydrophobicContact CG-CG2 3.97Å; R709-V728 WeakPolarHBondContact O-CA 3.44Å; R709-D729 IonicContact CZ-OD2 3.63Å; R709-D729 PolarHBondContact N-O 3.16Å; R709-D729 IonicContact NE-OD1 3.7Å; R709-D729 IonicContact NE-OD2 2.91Å; R709-D729 PolarHBondContact NE-OD2 2.98Å; R709-D729 IonicContact NH2-OD2 3.32Å; R709-D729 PolarHBondContact NH2-OD2 3.43Å; R709-D729 PolarHBondContact O-N 2.79Å
710	F	97.8	Very high	84	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	140	164.8	-49.7	-31.2	0	0	0	109.5	R701 F702 F704 T708 Y712 Y727 V728 H749 L752 A753 L756	R701-F710 CarbonylContact C-O 3.49Å; R701-F710 VanDerWaalsContact CA-O 3.28Å; R701-F710 WeakPolarHBondContact CA-O 3.43Å; F702-F710 HydrophobicContact CB-CB 4.33Å; F702-F710 HydrophobicContact CB-CD2 4.38Å; F702-F710 PolarHBondContact N-O 2.82Å; F702-F710 PolarHBondContact O-N 3.47Å; F704-F710 HydrophobicContact CD2-CE2 4.38Å; F704-F710 HydrophobicContact CE2-CD1 4.45Å; F704-F710 AromaticContact CE2-CD2 3.41Å; F704-F710 HydrophobicContact CE2-CD2 3.41Å; F704-F710 VanDerWaalsContact CE2-CD2 3.41Å; F704-F710 HydrophobicContact CE2-CE1 4.34Å; F704-F710 AromaticContact CE2-CE2 3.29Å; F704-F710 HydrophobicContact CE2-CE2 3.29Å; F704-F710 HydrophobicContact CE2-CG 4Å; F704-F710 AromaticContact CE2-CZ 3.79Å; F704-F710 HydrophobicContact CE2-CZ 3.79Å; F704-F710 AromaticContact CZ-CD2 3.73Å; F704-F710 HydrophobicContact CZ-CD2 3.73Å; F704-F710 AromaticContact CZ-CE2 3.39Å; F704-F710 HydrophobicContact CZ-CE2 3.39Å; F704-F710 HydrophobicContact CZ-CZ 4.16Å; T708-F710 HydrophobicContact CG2-CD1 4Å; T708-F710 HydrophobicContact CG2-CE1 3.3Å; T708-F710 HydrophobicContact CG2-CZ 3.8Å; F710-Y712 HydrophobicContact CB-CE2 3.83Å; F710-Y727 CarbonylContact C-O 3.56Å; F710-Y727 VanDerWaalsContact CA-O 3.27Å; F710-Y727 WeakPolarHBondContact CA-O 3.22Å; F710-V728 HydrophobicContact CD1-CB 4.25Å; F710-V728 HydrophobicContact CD1-CG1 3.89Å; F710-V728 HydrophobicContact CD1-CG2 3.86Å; F710-V728 HydrophobicContact CE1-CG1 3.75Å; F710-V728 HydrophobicContact CE1-CG2 4.27Å; F710-H749 HydrophobicContact CE1-CB 4.1Å; F710-H749 HydrophobicContact CZ-CB 4.45Å; F710-H749 WeakPolarHBondContact CZ-O 3.47Å; F710-L752 HydrophobicContact CE2-CB 4.13Å; F710-L752 HydrophobicContact CE2-CD2 3.8Å; F710-L752 HydrophobicContact CE2-CG 3.81Å; F710-L752 HydrophobicContact CZ-CB 4.19Å; F710-L752 HydrophobicContact CZ-CD2 4.15Å; F710-L752 HydrophobicContact CZ-CG 4.29Å; F710-A753 HydrophobicContact CD1-CB 3.96Å; F710-A753 HydrophobicContact CD2-CB 3.98Å; F710-A753 HydrophobicContact CE1-CB 4.14Å; F710-A753 HydrophobicContact CE2-CB 4.14Å; F710-A753 HydrophobicContact CG-CB 3.9Å; F710-A753 HydrophobicContact CZ-CB 4.23Å; F710-L756 HydrophobicContact CD2-CD1 3.9Å; F710-L756 HydrophobicContact CE2-CD1 4.04Å
711	V	97.6	Very high	82.5	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	138.2	170.9	-179.7	0	0	0	0	108.6	M539 F700 R701 R709 R713 V726 Y727	M539-V711 HydrophobicContact CE-CG1 3.56Å; M539-V711 HydrophobicContact SD-CB 4.22Å; M539-V711 HydrophobicContact SD-CG1 3.43Å; M539-V711 WeakPolarHBondContact SD-CG1 3.36Å; M539-V711 HydrophobicContact SD-CG2 3.71Å; F700-V711 CarbonylContact O-C 3.42Å; F700-V711 VanDerWaalsContact O-CA 3.28Å; F700-V711 WeakPolarHBondContact O-CA 3.36Å; R701-V711 HydrophobicContact CG-CG2 4.2Å; R709-V711 HydrophobicContact CG-CG2 3.97Å; V711-R713 HydrophobicContact CG1-CG 4.17Å; V711-V726 WeakPolarHBondContact O-CA 3.4Å; V711-Y727 HydrophobicContact CB-CD2 3.77Å; V711-Y727 HydrophobicContact CB-CG 4.24Å; V711-Y727 HydrophobicContact CG1-CD2 3.86Å; V711-Y727 HydrophobicContact CG1-CE2 4.34Å; V711-Y727 PolarHBondContact N-O 2.89Å; V711-Y727 WeakPolarHBondContact O-CD2 3.46Å; V711-Y727 PolarHBondContact O-N 2.82Å
712	Y	97.1	Very high	81.6	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	130.6	176.4	-53.3	-87.4	0	0	0	110	L654 G699 F700 F702 F710 R725 V726 A753 C757	L654-Y712 HydrophobicContact CD1-CD1 3.84Å; L654-Y712 HydrophobicContact CD1-CD2 3.91Å; L654-Y712 HydrophobicContact CD1-CG 3.47Å; L654-Y712 VanDerWaalsContact CD1-CG 3.47Å; L654-Y712 HydrophobicContact CD2-CD1 4.44Å; L654-Y712 HydrophobicContact CD2-CD2 3.87Å; L654-Y712 HydrophobicContact CD2-CE1 4.42Å; L654-Y712 HydrophobicContact CD2-CE2 3.83Å; L654-Y712 HydrophobicContact CD2-CG 4.18Å; L654-Y712 HydrophobicContact CG-CG 4.49Å; G699-Y712 WeakPolarHBondContact CA-O 3.45Å; F700-Y712 HydrophobicContact CB-CD2 4.42Å; F700-Y712 PolarHBondContact N-O 3.45Å; F700-Y712 PolarHBondContact O-N 2.82Å; F702-Y712 HydrophobicContact CD2-CD2 4.11Å; F702-Y712 AromaticContact CD2-CE2 3.65Å; F702-Y712 HydrophobicContact CD2-CE2 3.65Å; F702-Y712 HydrophobicContact CE2-CD2 4.23Å; F702-Y712 AromaticContact CE2-CE2 3.94Å; F702-Y712 HydrophobicContact CE2-CE2 3.94Å; F710-Y712 HydrophobicContact CB-CE2 3.83Å; Y712-R725 WeakPolarHBondContact CA-O 3.36Å; Y712-V726 HydrophobicContact CD1-CB 4.41Å; Y712-V726 HydrophobicContact CD1-CG1 3.96Å; Y712-V726 HydrophobicContact CD1-CG2 3.98Å; Y712-V726 HydrophobicContact CE1-CB 4.5Å; Y712-V726 HydrophobicContact CE1-CG1 3.63Å; Y712-V726 HydrophobicContact CE1-CG2 4.24Å; Y712-A753 WeakPolarHBondContact CE1-O 3.47Å; Y712-A753 VanDerWaalsContact OH-CA 3.22Å; Y712-A753 WeakPolarHBondContact OH-CA 3.33Å; Y712-A753 PolarHBondContact OH-O 3.29Å; Y712-C757 HydrophobicContact CD1-CB 3.79Å; Y712-C757 HydrophobicContact CE1-CB 3.59Å
713	R	93.6	Very high	81.2	Confident	33 Å²	33	33 Å²	33	13%	0.125	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	141.4	177	-63.1	-175.1	68.7	-140.6	1.6	110.6	T561 Q698 V711 R725 Y727	T561-R713 VanDerWaalsContact CB-NH1 3.25Å; T561-R713 PolarHBondContact OG1-NH1 3.21Å; Q698-R713 PolarHBondContact O-NE 2.86Å; Q698-R713 VanDerWaalsContact O-NE 3.1Å; V711-R713 HydrophobicContact CG1-CG 4.17Å; R713-R725 PolarHBondContact N-O 2.96Å; R713-R725 PolarHBondContact O-N 2.8Å; R713-Y727 HydrophobicContact CB-CE2 4.3Å; R713-Y727 HydrophobicContact CG-CE2 4.09Å
714	L	88.3	Confident	81.1	Confident	53 Å²	53	32.3 Å²	32.3	28%	0.277	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	118.9	166.2	-162.2	67	0	0	0	107.8	M651 A722 L724	M651-L714 HydrophobicContact CG-CB 3.97Å; M651-L714 HydrophobicContact CG-CD2 4.24Å; M651-L714 HydrophobicContact SD-CB 4.28Å; L714-A722 HydrophobicContact CD1-CB 3.6Å; L714-A722 HydrophobicContact CD2-CB 4.16Å; L714-A722 HydrophobicContact CG-CB 3.84Å; L714-L724 HydrophobicContact CD1-CB 4.32Å
715	S	76.6	Confident	81.1	Confident	11 Å²	11	33.6 Å²	33.6	8%	0.077	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	130.5	-179.7	-168.2	0	0	0	0	110.2	T717 T723	S715-T717 VanDerWaalsContact C-N 3.34Å; S715-T717 PolarHBondContact OG-OG1 2.86Å; S715-T723 PolarHBondContact N-O 2.82Å; S715-T723 PolarHBondContact O-N 2.95Å
716	G	63.8	Low	81.3	Confident	72 Å²	72	29 Å²	29	74%	0.742	20%	0.204	S	C	*	.			trans	-92.5	20.8	173.8	0	0	0	0	0	114	G718	G716-G718 VanDerWaalsContact C-N 3.34Å
717	T	50.3	Low	81.6	Confident	72 Å²	72	25.6 Å²	25.6	44%	0.442	19%	0.186	S	C	.	.			trans	-84.2	-4.7	-176.1	60.5	0	0	0	0	114.4	S715 R725	S715-T717 VanDerWaalsContact C-N 3.34Å; S715-T717 PolarHBondContact OG-OG1 2.86Å; T717-R725 PolarHBondContact OG1-NH2 3.19Å
718	G	47.7	Very low	81.9	Confident	26 Å²	26	24.9 Å²	24.9	27%	0.268	18%	0.178	S	C	.	.	S	Bend	trans	-80.1	147.5	175	0	0	0	0	0	111.1	G716 S720	G716-G718 VanDerWaalsContact C-N 3.34Å; G718-S720 PolarHBondContact O-N 2.85Å
719	S	47.6	Very low	82	Confident	93 Å²	93	24.9 Å²	24.9	65%	0.65	18%	0.178	S	C	*	.	S	Bend	trans	-68.4	-17.8	175.4	38.1	0	0	0	0	113.6	D326	D326-S719 WeakPolarHBondContact OD1-CB 3.35Å; D326-S719 PolarHBondContact OD1-OG 2.92Å
720	S	53.8	Low	82	Confident	65 Å²	65	24.9 Å²	24.9	46%	0.455	18%	0.178	S	C	.	.	S	Bend	trans	-138.7	128.9	173.2	54	0	0	0	0	112.3	N641 G718	N641-S720 PolarHBondContact OD1-O 2.76Å; N641-S720 PolarHBondContact OD1-OG 3.3Å; G718-S720 PolarHBondContact O-N 2.85Å
721	G	65	Low	82	Confident	39 Å²	39	28.7 Å²	28.7	40%	0.402	19%	0.193	S	C	.	.	S	Bend	trans	67	-167.6	176.4	0	0	0	0	0	114.2	C642	C642-G721 WeakPolarHBondContact O-CA 3.31Å
722	A	77	Confident	82	Confident	8 Å²	8	29.6 Å²	29.6	7%	0.066	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	149	178.8	0	0	0	0	0	110.9	C642 L714	C642-A722 WeakPolarHBondContact CB-O 3.48Å; C642-A722 PolarHBondContact N-O 2.82Å; C642-A722 PolarHBondContact O-N 3.38Å; L714-A722 HydrophobicContact CD1-CB 3.6Å; L714-A722 HydrophobicContact CD2-CB 4.16Å; L714-A722 HydrophobicContact CG-CB 3.84Å
723	T	87	Confident	82	Confident	10 Å²	10	33.2 Å²	33.2	6%	0.061	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	114.4	169.8	-59	0	0	0	0	109.5	D638 Y639 E640 S715 R725	D638-T723 HydrophobicContact CB-CG2 4.24Å; Y639-T723 WeakPolarHBondContact O-CA 3.47Å; E640-T723 HydrophobicContact CG-CG2 4.13Å; S715-T723 PolarHBondContact N-O 2.82Å; S715-T723 PolarHBondContact O-N 2.95Å; T723-R725 HydrophobicContact CG2-CG 4.02Å
724	L	93.2	Very high	82.2	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	120.5	169.2	175.8	74.3	0	0	0	108.5	Y639 I650 M651 L714 V726 V759	Y639-L724 HydrophobicContact CD2-CD2 4.35Å; Y639-L724 PolarHBondContact N-O 3.45Å; Y639-L724 PolarHBondContact O-N 2.58Å; I650-L724 HydrophobicContact CD1-CD2 3.8Å; I650-L724 HydrophobicContact CG2-CD1 3.93Å; I650-L724 HydrophobicContact CG2-CD2 4.04Å; M651-L724 HydrophobicContact SD-CD1 4.44Å; L714-L724 HydrophobicContact CD1-CB 4.32Å; L724-V726 HydrophobicContact CD2-CG2 4.15Å; L724-V726 HydrophobicContact CG-CG2 4.16Å; L724-V759 HydrophobicContact CD2-CB 3.97Å; L724-V759 HydrophobicContact CD2-CG2 3.78Å
725	R	95.4	Very high	82.6	Confident	31 Å²	31	35.6 Å²	35.6	12%	0.117	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	124.2	173.9	-55.6	-163.6	175.4	129.1	7.2	109.9	Y637 D638 Y712 R713 T717 T723 Y727	Y637-R725 WeakPolarHBondContact O-CA 3.15Å; D638-R725 WeakPolarHBondContact OD1-CD 3.48Å; D638-R725 WeakPolarHBondContact OD1-CG 3.36Å; D638-R725 IonicContact OD1-NE 3.59Å; Y712-R725 WeakPolarHBondContact CA-O 3.36Å; R713-R725 PolarHBondContact N-O 2.96Å; R713-R725 PolarHBondContact O-N 2.8Å; T717-R725 PolarHBondContact OG1-NH2 3.19Å; T723-R725 HydrophobicContact CG2-CG 4.02Å; R725-Y727 HydrophobicContact CB-CD2 4.46Å; R725-Y727 HydrophobicContact CB-CE2 3.61Å; R725-Y727 WeakPolarHBondContact CD-OH 3.01Å
726	V	97.7	Very high	83.6	Confident	3 Å²	3	38.8 Å²	38.8	2%	0.018	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	120.5	175.4	-174.2	0	0	0	0	108.2	R636 Y637 Y639 V711 Y712 L724 V728 A753	R636-V726 CarbonylContact C-O 3.57Å; R636-V726 WeakPolarHBondContact CA-O 3.2Å; Y637-V726 PolarHBondContact N-O 3.3Å; Y637-V726 PolarHBondContact O-N 2.54Å; Y639-V726 HydrophobicContact CE2-CG2 4.41Å; V711-V726 WeakPolarHBondContact O-CA 3.4Å; Y712-V726 HydrophobicContact CD1-CB 4.41Å; Y712-V726 HydrophobicContact CD1-CG1 3.96Å; Y712-V726 HydrophobicContact CD1-CG2 3.98Å; Y712-V726 HydrophobicContact CE1-CB 4.5Å; Y712-V726 HydrophobicContact CE1-CG1 3.63Å; Y712-V726 HydrophobicContact CE1-CG2 4.24Å; L724-V726 HydrophobicContact CD2-CG2 4.15Å; L724-V726 HydrophobicContact CG-CG2 4.16Å; V726-V728 HydrophobicContact CG1-CG2 4.38Å; V726-A753 HydrophobicContact CG1-CB 4.14Å
727	Y	98.2	Very high	85.2	Confident	0 Å²	0	39 Å²	39	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	135.7	178.4	-46.5	-99.5	0	0	0	109	P540 E581 F634 T635 R636 F710 V711 R713 R725	P540-Y727 HydrophobicContact CB-CD1 3.72Å; P540-Y727 HydrophobicContact CB-CD2 4.01Å; P540-Y727 HydrophobicContact CB-CE1 3.53Å; P540-Y727 HydrophobicContact CB-CE2 3.86Å; P540-Y727 HydrophobicContact CB-CG 3.94Å; P540-Y727 HydrophobicContact CG-CE1 4.42Å; P540-Y727 HydrophobicContact CG-CE2 4.17Å; E581-Y727 HydrophobicContact CG-CD1 3.88Å; E581-Y727 HydrophobicContact CG-CE1 3.41Å; E581-Y727 VanDerWaalsContact CG-CE1 3.41Å; E581-Y727 WeakPolarHBondContact OE1-CE1 3.33Å; E581-Y727 PolarHBondContact OE1-OH 2.93Å; F634-Y727 HydrophobicContact CE2-CD1 4.34Å; F634-Y727 HydrophobicContact CZ-CD1 4.13Å; T635-Y727 WeakPolarHBondContact O-CA 3.31Å; R636-Y727 HydrophobicContact CB-CD1 3.91Å; R636-Y727 HydrophobicContact CB-CE1 4.25Å; R636-Y727 HydrophobicContact CG-CD1 3.56Å; R636-Y727 HydrophobicContact CG-CE1 3.52Å; R636-Y727 HydrophobicContact CG-CG 4.36Å; F710-Y727 CarbonylContact C-O 3.56Å; F710-Y727 VanDerWaalsContact CA-O 3.27Å; F710-Y727 WeakPolarHBondContact CA-O 3.22Å; V711-Y727 HydrophobicContact CB-CD2 3.77Å; V711-Y727 HydrophobicContact CB-CG 4.24Å; V711-Y727 HydrophobicContact CG1-CD2 3.86Å; V711-Y727 HydrophobicContact CG1-CE2 4.34Å; V711-Y727 PolarHBondContact N-O 2.89Å; V711-Y727 WeakPolarHBondContact O-CD2 3.46Å; V711-Y727 PolarHBondContact O-N 2.82Å; R713-Y727 HydrophobicContact CB-CE2 4.3Å; R713-Y727 HydrophobicContact CG-CE2 4.09Å; R725-Y727 HydrophobicContact CB-CD2 4.46Å; R725-Y727 HydrophobicContact CB-CE2 3.61Å; R725-Y727 WeakPolarHBondContact CD-OH 3.01Å
728	V	98.5	Very high	87.4	Confident	3 Å²	3	35.9 Å²	35.9	2%	0.018	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	121.9	178.3	178.2	0	0	0	0	108.4	F634 T635 R709 F710 V726 L746 H749 A753	F634-V728 CarbonylContact C-O 3.43Å; F634-V728 WeakPolarHBondContact CA-O 3.47Å; T635-V728 HydrophobicContact CG2-CB 4.1Å; T635-V728 PolarHBondContact N-O 2.77Å; T635-V728 PolarHBondContact O-N 2.73Å; R709-V728 WeakPolarHBondContact O-CA 3.44Å; F710-V728 HydrophobicContact CD1-CB 4.25Å; F710-V728 HydrophobicContact CD1-CG1 3.89Å; F710-V728 HydrophobicContact CD1-CG2 3.86Å; F710-V728 HydrophobicContact CE1-CG1 3.75Å; F710-V728 HydrophobicContact CE1-CG2 4.27Å; V726-V728 HydrophobicContact CG1-CG2 4.38Å; V728-L746 HydrophobicContact CG1-CD1 4.41Å; V728-L746 HydrophobicContact CG1-CD2 4.18Å; V728-H749 HydrophobicContact CG1-CB 3.7Å; V728-A753 HydrophobicContact CG2-CB 3.66Å
729	D	98.1	Very high	89.7	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	150.7	169.1	68.1	92.2	0	0	0	113.3	R543 Y632 F633 F634 T708 R709	R543-D729 IonicContact CZ-OD1 3.01Å; R543-D729 IonicContact NE-OD1 3.51Å; R543-D729 PolarHBondContact NE-OD1 3.22Å; R543-D729 IonicContact NH2-OD1 3.98Å; R543-D729 PolarHBondContact NH2-OD1 3.43Å; Y632-D729 HydrophobicContact CD1-CB 4.43Å; F633-D729 CarbonylContact O-C 3.52Å; F633-D729 WeakPolarHBondContact O-CA 3.24Å; F633-D729 WeakPolarHBondContact O-CB 3.15Å; F634-D729 HydrophobicContact CD2-CB 4.18Å; T708-D729 CarbonylContact C-O 3.58Å; T708-D729 WeakPolarHBondContact CA-O 3.48Å; R709-D729 IonicContact CZ-OD2 3.63Å; R709-D729 PolarHBondContact N-O 3.16Å; R709-D729 IonicContact NE-OD1 3.7Å; R709-D729 IonicContact NE-OD2 2.91Å; R709-D729 PolarHBondContact NE-OD2 2.98Å; R709-D729 IonicContact NH2-OD2 3.32Å; R709-D729 PolarHBondContact NH2-OD2 3.43Å; R709-D729 PolarHBondContact O-N 2.79Å
730	T	98.1	Very high	92.1	Very high	3 Å²	3	37.6 Å²	37.6	2%	0.018	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	154.4	172.6	-164.7	0	0	0	0	110.3	Y632 F633 T708 Y745 L746	Y632-T730 CarbonylContact C-O 3.56Å; Y632-T730 WeakPolarHBondContact CA-O 3.38Å; F633-T730 HydrophobicContact CB-CG2 4.29Å; F633-T730 PolarHBondContact N-O 3.14Å; F633-T730 PolarHBondContact O-N 3.15Å; T708-T730 PolarHBondContact OG1-OG1 3.35Å; T730-Y745 HydrophobicContact CG2-CD1 4.2Å; T730-Y745 HydrophobicContact CG2-CE1 3.56Å; T730-L746 HydrophobicContact CG2-CD2 3.63Å
731	Y	97.8	Very high	94.1	Very high	80 Å²	80	37.2 Å²	37.2	31%	0.314	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	135.8	-177.9	178.1	-105.7	0	0	0	111.1	L547 Y629 Y632	L547-Y731 HydrophobicContact CD1-CD2 4.14Å; L547-Y731 HydrophobicContact CD1-CE2 3.72Å; Y629-Y731 WeakPolarHBondContact O-CE2 3.3Å; Y629-Y731 PolarHBondContact O-OH 2.96Å; Y629-Y731 VanDerWaalsContact O-OH 3.12Å; Y632-Y731 AromaticContact CD2-CD2 3.97Å; Y632-Y731 HydrophobicContact CD2-CD2 3.97Å; Y632-Y731 AromaticContact CE2-CD2 3.69Å; Y632-Y731 HydrophobicContact CE2-CD2 3.69Å; Y632-Y731 HydrophobicContact CE2-CE2 4.48Å; Y632-Y731 HydrophobicContact CE2-CG 4.43Å
732	E	97.4	Very high	95.6	Very high	20 Å²	20	36.9 Å²	36.9	9%	0.093	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	135.7	170.3	-177.2	50.8	-87.3	0	0	109.8	G630 R631 F633 D734 K737 Y738 Y745	G630-E732 WeakPolarHBondContact CA-O 3.3Å; R631-E732 PolarHBondContact N-O 2.87Å; R631-E732 PolarHBondContact O-N 3.41Å; F633-E732 HydrophobicContact CD2-CB 3.97Å; F633-E732 HydrophobicContact CE2-CB 3.67Å; F633-E732 HydrophobicContact CE2-CG 4.13Å; E732-D734 HydrophobicContact CG-CB 4.47Å; E732-D734 WeakPolarHBondContact OE1-CB 3.36Å; E732-D734 PolarHBondContact OE1-N 3.41Å; E732-K737 HydrophobicContact CG-CB 4.01Å; E732-K737 HydrophobicContact CG-CD 4.03Å; E732-K737 WeakPolarHBondContact OE2-CD 3.17Å; E732-K737 WeakPolarHBondContact OE2-CE 3.45Å; E732-K737 IonicContact OE2-NZ 2.73Å; E732-K737 PolarHBondContact OE2-NZ 3.43Å; E732-Y738 HydrophobicContact CG-CE1 4.43Å; E732-Y738 WeakPolarHBondContact O-CE1 3.28Å; E732-Y745 HydrophobicContact CG-CE2 4.26Å; E732-Y745 PolarHBondContact OE2-OH 2.83Å
733	S	96.5	Very high	96.5	Very high	75 Å²	75	39.6 Å²	39.6	52%	0.524	23%	0.232	S	C	.	.			trans	-109.5	-13	-178.5	61.8	0	0	0	0	113.7	P735 Y738	S733-P735 VanDerWaalsContact O-CD 3.23Å; S733-P735 WeakPolarHBondContact O-CD 3.41Å; S733-Y738 VanDerWaalsContact C-OH 3.29Å; S733-Y738 PolarHBondContact O-OH 2.92Å
734	D	97.4	Very high	97	Very high	63 Å²	63	45.7 Å²	45.7	34%	0.337	26%	0.26	S	S	.	.			trans	-80.8	110.9	177.8	-179.2	3.6	0	0	0	111	E732 A736 K737 Y738	E732-D734 HydrophobicContact CG-CB 4.47Å; E732-D734 WeakPolarHBondContact OE1-CB 3.36Å; E732-D734 PolarHBondContact OE1-N 3.41Å; D734-A736 PolarHBondContact O-N 2.98Å; D734-A736 VanDerWaalsContact O-N 3.12Å; D734-A736 VanDerWaalsContact OD1-CB 3.32Å; D734-A736 WeakPolarHBondContact OD1-CB 3.32Å; D734-A736 PolarHBondContact OD1-N 3.02Å; D734-K737 HydrophobicContact CB-CD 4.18Å; D734-K737 HydrophobicContact CB-CG 4.34Å; D734-K737 PolarHBondContact O-N 3.22Å; D734-K737 WeakPolarHBondContact OD2-CE 3.08Å; D734-Y738 WeakPolarHBondContact O-CD1 3.34Å; D734-Y738 VanDerWaalsContact O-CE1 3.28Å; D734-Y738 WeakPolarHBondContact O-CE1 3.39Å
735	P	96.7	Very high	97.2	Very high	73 Å²	73	47.7 Å²	47.7	47%	0.474	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-62.1	-22	-179.2	-21.6	35.1	0	0	0	114.3	S733 K737 Y738	S733-P735 VanDerWaalsContact O-CD 3.23Å; S733-P735 WeakPolarHBondContact O-CD 3.41Å; P735-K737 PolarHBondContact O-N 2.89Å; P735-Y738 VanDerWaalsContact CA-CE2 3.5Å; P735-Y738 HydrophobicContact CB-CD2 4.03Å; P735-Y738 HydrophobicContact CB-CE2 3.77Å; P735-Y738 HydrophobicContact CG-CE2 4.02Å; P735-Y738 PolarHBondContact O-N 3.38Å
736	A	97.8	Very high	97.3	Very high	79 Å²	79	46.2 Å²	46.2	65%	0.653	26%	0.263	S	S	*	.	G	3₁₀ helix	trans	-66	-19.3	176.9	0	0	0	0	0	112.6	D734	D734-A736 PolarHBondContact O-N 2.98Å; D734-A736 VanDerWaalsContact O-N 3.12Å; D734-A736 VanDerWaalsContact OD1-CB 3.32Å; D734-A736 WeakPolarHBondContact OD1-CB 3.32Å; D734-A736 PolarHBondContact OD1-N 3.02Å
737	K	97.8	Very high	97.2	Very high	76 Å²	76	53.6 Å²	53.6	33%	0.33	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-99.3	-11.4	-178.7	-62.3	178.7	-165.8	172.1	0	113.5	F633 E732 D734 P735 T739 I740 Y745	F633-K737 WeakPolarHBondContact CZ-O 3.38Å; E732-K737 HydrophobicContact CG-CB 4.01Å; E732-K737 HydrophobicContact CG-CD 4.03Å; E732-K737 WeakPolarHBondContact OE2-CD 3.17Å; E732-K737 WeakPolarHBondContact OE2-CE 3.45Å; E732-K737 IonicContact OE2-NZ 2.73Å; E732-K737 PolarHBondContact OE2-NZ 3.43Å; D734-K737 HydrophobicContact CB-CD 4.18Å; D734-K737 HydrophobicContact CB-CG 4.34Å; D734-K737 PolarHBondContact O-N 3.22Å; D734-K737 WeakPolarHBondContact OD2-CE 3.08Å; P735-K737 PolarHBondContact O-N 2.89Å; K737-T739 PolarHBondContact O-N 3.32Å; K737-I740 HydrophobicContact CB-CD1 3.88Å; K737-I740 HydrophobicContact CG-CD1 4.11Å; K737-I740 WeakPolarHBondContact O-CB 3.4Å; K737-I740 VanDerWaalsContact O-CG1 3.3Å; K737-I740 WeakPolarHBondContact O-CG1 3.47Å; K737-I740 PolarHBondContact O-N 3.18Å; K737-Y745 HydrophobicContact CB-CE2 4.38Å; K737-Y745 HydrophobicContact CD-CE2 4.12Å
738	Y	97.7	Very high	97.2	Very high	6 Å²	6	54.5 Å²	54.5	2%	0.024	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-16.5	-173.8	-66.4	-9.3	0	0	0	114.8	W626 G630 R631 E732 S733 D734 P735	W626-Y738 HydrophobicContact CB-CD2 3.64Å; W626-Y738 HydrophobicContact CB-CE2 3.91Å; W626-Y738 HydrophobicContact CB-CG 4.19Å; W626-Y738 WeakPolarHBondContact CZ3-O 3.39Å; W626-Y738 WeakPolarHBondContact O-CE2 3.29Å; W626-Y738 PolarHBondContact O-OH 3.42Å; G630-Y738 WeakPolarHBondContact CA-OH 3.31Å; R631-Y738 HydrophobicContact CB-CD1 3.68Å; R631-Y738 HydrophobicContact CB-CE1 3.95Å; R631-Y738 HydrophobicContact CB-CG 4.24Å; R631-Y738 PolarHBondContact NH1-O 2.9Å; E732-Y738 HydrophobicContact CG-CE1 4.43Å; E732-Y738 WeakPolarHBondContact O-CE1 3.28Å; S733-Y738 VanDerWaalsContact C-OH 3.29Å; S733-Y738 PolarHBondContact O-OH 2.92Å; D734-Y738 WeakPolarHBondContact O-CD1 3.34Å; D734-Y738 VanDerWaalsContact O-CE1 3.28Å; D734-Y738 WeakPolarHBondContact O-CE1 3.39Å; P735-Y738 VanDerWaalsContact CA-CE2 3.5Å; P735-Y738 HydrophobicContact CB-CD2 4.03Å; P735-Y738 HydrophobicContact CB-CE2 3.77Å; P735-Y738 HydrophobicContact CG-CE2 4.02Å; P735-Y738 PolarHBondContact O-N 3.38Å
739	T	95.7	Very high	97.1	Very high	105 Å²	105	54.3 Å²	54.3	64%	0.644	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.4	-4.7	178	53.9	0	0	0	0	113.4	M623 K737	M623-T739 HydrophobicContact CE-CG2 3.69Å; M623-T739 HydrophobicContact SD-CG2 4.3Å; K737-T739 PolarHBondContact O-N 3.32Å
740	I	97.3	Very high	97.1	Very high	51 Å²	51	55 Å²	55	26%	0.262	30%	0.303	S	S	.	.	S	Bend	trans	-64.4	140.5	176.6	-58.2	172.3	0	0	0	108.8	R631 F633 K737 E744 Y745	R631-I740 PolarHBondContact NH1-O 2.6Å; F633-I740 HydrophobicContact CE1-CB 4.44Å; F633-I740 WeakPolarHBondContact CE1-O 3.31Å; F633-I740 HydrophobicContact CZ-CB 4.49Å; K737-I740 HydrophobicContact CB-CD1 3.88Å; K737-I740 HydrophobicContact CG-CD1 4.11Å; K737-I740 WeakPolarHBondContact O-CB 3.4Å; K737-I740 VanDerWaalsContact O-CG1 3.3Å; K737-I740 WeakPolarHBondContact O-CG1 3.47Å; K737-I740 PolarHBondContact O-N 3.18Å; I740-E744 HydrophobicContact CG2-CB 4.03Å; I740-E744 HydrophobicContact CG2-CG 4.09Å; I740-Y745 HydrophobicContact CB-CD2 4.47Å; I740-Y745 HydrophobicContact CD1-CD2 4.15Å; I740-Y745 HydrophobicContact CG2-CD2 4.43Å
741	A	95.7	Very high	97	Very high	57 Å²	57	57.4 Å²	57.4	47%	0.471	31%	0.314	S	S	.	.			trans	-66.2	141.4	176.1	0	0	0	0	0	110.6	Q743 E744 Y745	A741-Q743 VanDerWaalsContact C-N 3.28Å; A741-Q743 PolarHBondContact O-N 3.15Å; A741-E744 HydrophobicContact CB-CB 4.39Å; A741-E744 PolarHBondContact O-N 3.23Å; A741-Y745 PolarHBondContact O-N 3.07Å
742	S	96.3	Very high	97	Very high	31 Å²	31	53.7 Å²	53.7	22%	0.217	30%	0.3	C	S	.	.	H	α-helix	trans	-56.7	-40.9	-176.2	-60.3	0	0	0	0	113	R631 E744 Y745 L746	R631-S742 PolarHBondContact NH2-OG 2.91Å; R631-S742 VanDerWaalsContact NH2-OG 3.14Å; S742-E744 VanDerWaalsContact C-N 3.31Å; S742-E744 PolarHBondContact O-N 2.66Å; S742-Y745 PolarHBondContact O-N 2.94Å; S742-L746 WeakPolarHBondContact O-CB 3.35Å; S742-L746 VanDerWaalsContact O-CG 3.25Å; S742-L746 WeakPolarHBondContact O-CG 3.3Å; S742-L746 PolarHBondContact O-N 3.34Å
743	Q	96.1	Very high	96.9	Very high	65 Å²	65	52.8 Å²	52.8	30%	0.304	30%	0.295	S	S	.	.	H	α-helix	trans	-64.8	-34.2	178.9	-59.7	-53.8	-43.6	0	0	112.9	T635 Y637 A741 K747	T635-Q743 PolarHBondContact OG1-NE2 3.42Å; Y637-Q743 VanDerWaalsContact CE1-OE1 3.32Å; Y637-Q743 PolarHBondContact OH-OE1 3.42Å; A741-Q743 VanDerWaalsContact C-N 3.28Å; A741-Q743 PolarHBondContact O-N 3.15Å; Q743-K747 PolarHBondContact O-N 2.88Å
744	E	97.1	Very high	96.9	Very high	139 Å²	139	50.7 Å²	50.7	65%	0.65	28%	0.278	S	S	*	.	H	α-helix	trans	-74	-49.2	177.6	-176.7	-178.4	175.4	0	0	110.7	I740 A741 S742 L746 K747	I740-E744 HydrophobicContact CG2-CB 4.03Å; I740-E744 HydrophobicContact CG2-CG 4.09Å; A741-E744 HydrophobicContact CB-CB 4.39Å; A741-E744 PolarHBondContact O-N 3.23Å; S742-E744 VanDerWaalsContact C-N 3.31Å; S742-E744 PolarHBondContact O-N 2.66Å; E744-L746 VanDerWaalsContact C-N 3.32Å; E744-L746 PolarHBondContact O-N 2.79Å; E744-K747 WeakPolarHBondContact O-CB 3.39Å; E744-K747 PolarHBondContact O-N 3.15Å
745	Y	97.1	Very high	96.8	Very high	42 Å²	42	52.8 Å²	52.8	17%	0.165	29%	0.286	C	S	.	.	H	α-helix	trans	-62.1	-41.1	179.4	-171.8	-88.4	0	0	0	112	F633 T730 E732 K737 I740 A741 S742 K747 H749	F633-Y745 HydrophobicContact CB-CD1 3.81Å; F633-Y745 HydrophobicContact CB-CE1 4.29Å; F633-Y745 AromaticContact CD1-CD1 3.78Å; F633-Y745 HydrophobicContact CD1-CD1 3.78Å; F633-Y745 AromaticContact CD1-CG 3.73Å; F633-Y745 HydrophobicContact CD1-CG 3.73Å; F633-Y745 AromaticContact CD2-CD1 3.39Å; F633-Y745 HydrophobicContact CD2-CD1 3.39Å; F633-Y745 HydrophobicContact CD2-CD2 4.22Å; F633-Y745 AromaticContact CD2-CE1 3.43Å; F633-Y745 HydrophobicContact CD2-CE1 3.43Å; F633-Y745 VanDerWaalsContact CD2-CE1 3.43Å; F633-Y745 HydrophobicContact CD2-CE2 4.24Å; F633-Y745 AromaticContact CD2-CG 3.82Å; F633-Y745 HydrophobicContact CD2-CG 3.82Å; F633-Y745 AromaticContact CD2-CZ 3.88Å; F633-Y745 HydrophobicContact CE1-CD1 4.1Å; F633-Y745 HydrophobicContact CE1-CD2 4.01Å; F633-Y745 AromaticContact CE1-CG 3.6Å; F633-Y745 HydrophobicContact CE1-CG 3.6Å; F633-Y745 AromaticContact CE2-CD1 3.78Å; F633-Y745 HydrophobicContact CE2-CD1 3.78Å; F633-Y745 AromaticContact CE2-CD2 3.71Å; F633-Y745 HydrophobicContact CE2-CD2 3.71Å; F633-Y745 AromaticContact CE2-CE1 3.81Å; F633-Y745 HydrophobicContact CE2-CE1 3.81Å; F633-Y745 AromaticContact CE2-CE2 3.73Å; F633-Y745 HydrophobicContact CE2-CE2 3.73Å; F633-Y745 AromaticContact CE2-CG 3.74Å; F633-Y745 HydrophobicContact CE2-CG 3.74Å; F633-Y745 AromaticContact CE2-CZ 3.79Å; F633-Y745 AromaticContact CG-CD1 3.37Å; F633-Y745 HydrophobicContact CG-CD1 3.37Å; F633-Y745 AromaticContact CG-CE1 3.89Å; F633-Y745 HydrophobicContact CG-CE1 3.89Å; F633-Y745 AromaticContact CG-CG 3.79Å; F633-Y745 HydrophobicContact CG-CG 3.79Å; F633-Y745 HydrophobicContact CZ-CD1 4.1Å; F633-Y745 AromaticContact CZ-CD2 3.58Å; F633-Y745 HydrophobicContact CZ-CD2 3.58Å; F633-Y745 HydrophobicContact CZ-CE2 4.04Å; F633-Y745 AromaticContact CZ-CG 3.62Å; F633-Y745 HydrophobicContact CZ-CG 3.62Å; T730-Y745 HydrophobicContact CG2-CD1 4.2Å; T730-Y745 HydrophobicContact CG2-CE1 3.56Å; E732-Y745 HydrophobicContact CG-CE2 4.26Å; E732-Y745 PolarHBondContact OE2-OH 2.83Å; K737-Y745 HydrophobicContact CB-CE2 4.38Å; K737-Y745 HydrophobicContact CD-CE2 4.12Å; I740-Y745 HydrophobicContact CB-CD2 4.47Å; I740-Y745 HydrophobicContact CD1-CD2 4.15Å; I740-Y745 HydrophobicContact CG2-CD2 4.43Å; A741-Y745 PolarHBondContact O-N 3.07Å; S742-Y745 PolarHBondContact O-N 2.94Å; Y745-K747 VanDerWaalsContact C-N 3.31Å; Y745-K747 PolarHBondContact O-N 3.32Å; Y745-H749 PolarHBondContact O-ND1 2.87Å
746	L	97.5	Very high	96.7	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-0.2	-176.8	-64.8	175.4	0	0	0	113.6	F633 T635 V728 T730 S742 E744 S748 H749 I750	F633-L746 HydrophobicContact CB-CD1 4.16Å; F633-L746 HydrophobicContact CB-CD2 3.83Å; F633-L746 HydrophobicContact CB-CG 3.96Å; T635-L746 HydrophobicContact CG2-CD1 3.8Å; V728-L746 HydrophobicContact CG1-CD1 4.41Å; V728-L746 HydrophobicContact CG1-CD2 4.18Å; T730-L746 HydrophobicContact CG2-CD2 3.63Å; S742-L746 WeakPolarHBondContact O-CB 3.35Å; S742-L746 VanDerWaalsContact O-CG 3.25Å; S742-L746 WeakPolarHBondContact O-CG 3.3Å; S742-L746 PolarHBondContact O-N 3.34Å; E744-L746 VanDerWaalsContact C-N 3.32Å; E744-L746 PolarHBondContact O-N 2.79Å; L746-S748 PolarHBondContact O-N 2.9Å; L746-S748 VanDerWaalsContact O-N 3.16Å; L746-H749 WeakPolarHBondContact CA-ND1 3.39Å; L746-H749 HydrophobicContact CB-CB 4.49Å; L746-H749 HydrophobicContact CD2-CB 4.29Å; L746-H749 CarbonylContact O-C 3.52Å; L746-H749 WeakPolarHBondContact O-CA 3.49Å; L746-H749 VanDerWaalsContact O-CB 3.28Å; L746-H749 WeakPolarHBondContact O-CB 3.32Å; L746-H749 PolarHBondContact O-N 2.99Å; L746-I750 HydrophobicContact CB-CD1 3.7Å; L746-I750 HydrophobicContact CB-CG1 4Å; L746-I750 WeakPolarHBondContact O-CG1 3.32Å; L746-I750 PolarHBondContact O-N 2.93Å
747	K	97	Very high	96.5	Very high	157 Å²	157	46 Å²	46	68%	0.683	24%	0.235	S	C	*	.	H	α-helix	trans	-46.8	-52.5	-172	-172.7	179.4	-178.9	179.1	0	114.3	Q743 E744 Y745 H749 I750 E751	Q743-K747 PolarHBondContact O-N 2.88Å; E744-K747 WeakPolarHBondContact O-CB 3.39Å; E744-K747 PolarHBondContact O-N 3.15Å; Y745-K747 VanDerWaalsContact C-N 3.31Å; Y745-K747 PolarHBondContact O-N 3.32Å; K747-H749 VanDerWaalsContact C-N 3.32Å; K747-H749 PolarHBondContact O-N 3.03Å; K747-I750 PolarHBondContact O-N 2.87Å; K747-E751 WeakPolarHBondContact O-CB 3.47Å; K747-E751 PolarHBondContact O-N 3.16Å
748	S	97.1	Very high	96.4	Very high	19 Å²	19	42.8 Å²	42.8	13%	0.133	22%	0.223	C	C	.	.	H	α-helix	trans	-70.3	-26.8	178.1	60.3	0	0	0	0	113.6	T670 R674 L746 L752	T670-S748 WeakPolarHBondContact CG2-O 3.45Å; R674-S748 WeakPolarHBondContact CD-OG 3.37Å; R674-S748 PolarHBondContact NH1-OG 2.94Å; L746-S748 PolarHBondContact O-N 2.9Å; L746-S748 VanDerWaalsContact O-N 3.16Å; S748-L752 PolarHBondContact O-N 3.09Å
749	H	98	Very high	96.3	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-73.9	-43.7	177.7	-50.7	82.2	0	0	0	110.2	R674 F676 T708 F710 V728 Y745 L746 K747 L752 A753	R674-H749 VanDerWaalsContact CZ-NE2 3.34Å; R674-H749 PolarHBondContact NH1-CE1 3.19Å; R674-H749 PolarHBondContact NH1-ND1 3.18Å; R674-H749 PolarHBondContact NH1-NE2 2.8Å; R674-H749 VanDerWaalsContact NH1-NE2 3.16Å; R674-H749 PolarHBondContact NH2-NE2 3.38Å; F676-H749 AromaticContact CE1-CD2 3.46Å; F676-H749 VanDerWaalsContact CE1-CD2 3.46Å; F676-H749 WeakPolarHBondContact CE1-CD2 3.25Å; F676-H749 HydrophobicContact CZ-CB 4.3Å; F676-H749 AromaticContact CZ-CD2 3.72Å; F676-H749 AromaticContact CZ-CG 3.88Å; T708-H749 PolarHBondContact OG1-CD2 3.13Å; F710-H749 HydrophobicContact CE1-CB 4.1Å; F710-H749 HydrophobicContact CZ-CB 4.45Å; F710-H749 WeakPolarHBondContact CZ-O 3.47Å; V728-H749 HydrophobicContact CG1-CB 3.7Å; Y745-H749 PolarHBondContact O-ND1 2.87Å; L746-H749 WeakPolarHBondContact CA-ND1 3.39Å; L746-H749 HydrophobicContact CB-CB 4.49Å; L746-H749 HydrophobicContact CD2-CB 4.29Å; L746-H749 CarbonylContact O-C 3.52Å; L746-H749 WeakPolarHBondContact O-CA 3.49Å; L746-H749 VanDerWaalsContact O-CB 3.28Å; L746-H749 WeakPolarHBondContact O-CB 3.32Å; L746-H749 PolarHBondContact O-N 2.99Å; K747-H749 VanDerWaalsContact C-N 3.32Å; K747-H749 PolarHBondContact O-N 3.03Å; H749-L752 PolarHBondContact O-N 3.24Å; H749-A753 WeakPolarHBondContact O-CB 3.5Å; H749-A753 PolarHBondContact O-N 2.72Å
750	I	97.5	Very high	96.2	Very high	14 Å²	14	40.4 Å²	40.4	7%	0.072	21%	0.209	C	C	.	.	H	α-helix	trans	-62.8	-44.5	175.1	-64.9	158.6	0	0	0	109.9	T635 Y637 L746 K747 L752 A753 L754	T635-I750 HydrophobicContact CG2-CD1 3.99Å; T635-I750 HydrophobicContact CG2-CG1 4.06Å; Y637-I750 HydrophobicContact CD2-CG2 4.41Å; Y637-I750 HydrophobicContact CE1-CD1 4.34Å; Y637-I750 HydrophobicContact CE2-CG2 3.71Å; L746-I750 HydrophobicContact CB-CD1 3.7Å; L746-I750 HydrophobicContact CB-CG1 4Å; L746-I750 WeakPolarHBondContact O-CG1 3.32Å; L746-I750 PolarHBondContact O-N 2.93Å; K747-I750 PolarHBondContact O-N 2.87Å; I750-L752 VanDerWaalsContact C-N 3.34Å; I750-L752 PolarHBondContact O-N 2.82Å; I750-A753 PolarHBondContact O-N 2.98Å; I750-L754 HydrophobicContact CG2-CD1 3.76Å; I750-L754 HydrophobicContact CG2-CG 4.06Å; I750-L754 WeakPolarHBondContact O-CB 3.49Å; I750-L754 VanDerWaalsContact O-CG 3.28Å; I750-L754 WeakPolarHBondContact O-CG 3.45Å; I750-L754 PolarHBondContact O-N 3.43Å
751	E	96.4	Very high	96.1	Very high	54 Å²	54	46.8 Å²	46.8	25%	0.252	24%	0.235	S	C	.	.	H	α-helix	trans	-50.5	-52.8	174.1	-176.8	-174	175.7	0	0	111.6	V671 S672 K747 E755	V671-E751 VanDerWaalsContact CA-OE1 3.3Å; V671-E751 WeakPolarHBondContact CA-OE1 3.12Å; V671-E751 WeakPolarHBondContact CB-OE1 3.31Å; V671-E751 PolarHBondContact N-OE1 3.49Å; S672-E751 PolarHBondContact N-OE1 2.9Å; S672-E751 VanDerWaalsContact N-OE1 3.15Å; S672-E751 PolarHBondContact OG-OE2 2.89Å; K747-E751 WeakPolarHBondContact O-CB 3.47Å; K747-E751 PolarHBondContact O-N 3.16Å; E751-E755 WeakPolarHBondContact O-CB 3.35Å; E751-E755 PolarHBondContact O-N 3.38Å
752	L	96.3	Very high	96.1	Very high	2 Å²	2	45.3 Å²	45.3	1%	0.01	22%	0.219	C	C	.	.	H	α-helix	trans	-64.1	-44.9	177.3	-177.4	56.8	0	0	0	112.2	Y668 T670 F676 F704 F710 S748 H749 I750 L754 E755 L756	Y668-L752 HydrophobicContact CD1-CD1 4.33Å; Y668-L752 HydrophobicContact CG-CD1 4.22Å; Y668-L752 HydrophobicContact CG-CD2 4.37Å; T670-L752 HydrophobicContact CG2-CB 3.94Å; F676-L752 HydrophobicContact CB-CD2 3.64Å; F676-L752 HydrophobicContact CD1-CD2 4.44Å; F676-L752 HydrophobicContact CD2-CB 4.43Å; F676-L752 HydrophobicContact CD2-CD2 3.39Å; F676-L752 HydrophobicContact CE2-CB 4.35Å; F676-L752 HydrophobicContact CE2-CD2 4.07Å; F676-L752 HydrophobicContact CG-CD2 3.58Å; F704-L752 HydrophobicContact CE1-CD2 4.15Å; F704-L752 HydrophobicContact CZ-CD2 4.09Å; F710-L752 HydrophobicContact CE2-CB 4.13Å; F710-L752 HydrophobicContact CE2-CD2 3.8Å; F710-L752 HydrophobicContact CE2-CG 3.81Å; F710-L752 HydrophobicContact CZ-CB 4.19Å; F710-L752 HydrophobicContact CZ-CD2 4.15Å; F710-L752 HydrophobicContact CZ-CG 4.29Å; S748-L752 PolarHBondContact O-N 3.09Å; H749-L752 PolarHBondContact O-N 3.24Å; I750-L752 VanDerWaalsContact C-N 3.34Å; I750-L752 PolarHBondContact O-N 2.82Å; L752-L754 VanDerWaalsContact C-N 3.29Å; L752-L754 PolarHBondContact O-N 3.43Å; L752-E755 WeakPolarHBondContact O-CB 3.39Å; L752-E755 PolarHBondContact O-N 2.93Å; L752-L756 HydrophobicContact CD1-CD1 4.29Å; L752-L756 HydrophobicContact CD1-CD2 4.27Å; L752-L756 HydrophobicContact CD1-CG 3.98Å; L752-L756 HydrophobicContact CG-CD1 4.07Å; L752-L756 HydrophobicContact CG-CG 4.22Å; L752-L756 WeakPolarHBondContact O-CG 3.48Å; L752-L756 PolarHBondContact O-N 3.39Å
753	A	96.7	Very high	95.9	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-60.1	-41	-177.5	0	0	0	0	0	112	F710 Y712 V726 V728 H749 I750 C757	F710-A753 HydrophobicContact CD1-CB 3.96Å; F710-A753 HydrophobicContact CD2-CB 3.98Å; F710-A753 HydrophobicContact CE1-CB 4.14Å; F710-A753 HydrophobicContact CE2-CB 4.14Å; F710-A753 HydrophobicContact CG-CB 3.9Å; F710-A753 HydrophobicContact CZ-CB 4.23Å; Y712-A753 WeakPolarHBondContact CE1-O 3.47Å; Y712-A753 VanDerWaalsContact OH-CA 3.22Å; Y712-A753 WeakPolarHBondContact OH-CA 3.33Å; Y712-A753 PolarHBondContact OH-O 3.29Å; V726-A753 HydrophobicContact CG1-CB 4.14Å; V728-A753 HydrophobicContact CG2-CB 3.66Å; H749-A753 WeakPolarHBondContact O-CB 3.5Å; H749-A753 PolarHBondContact O-N 2.72Å; I750-A753 PolarHBondContact O-N 2.98Å; A753-C757 PolarHBondContact O-N 2.98Å
754	L	96.3	Very high	95.7	Very high	31 Å²	31	44.4 Å²	44.4	16%	0.162	23%	0.228	C	C	.	.	H	α-helix	trans	-72.7	-32.9	177.1	-61.3	-177.7	0	0	0	112.5	Y637 Y639 I750 L752 C757 G758 V759	Y637-L754 HydrophobicContact CD2-CD1 4.45Å; Y637-L754 HydrophobicContact CD2-CD2 4.41Å; Y637-L754 HydrophobicContact CE2-CD1 4.37Å; Y639-L754 HydrophobicContact CE2-CD2 4.04Å; Y639-L754 WeakPolarHBondContact OH-CD2 3.11Å; I750-L754 HydrophobicContact CG2-CD1 3.76Å; I750-L754 HydrophobicContact CG2-CG 4.06Å; I750-L754 WeakPolarHBondContact O-CB 3.49Å; I750-L754 VanDerWaalsContact O-CG 3.28Å; I750-L754 WeakPolarHBondContact O-CG 3.45Å; I750-L754 PolarHBondContact O-N 3.43Å; L752-L754 VanDerWaalsContact C-N 3.29Å; L752-L754 PolarHBondContact O-N 3.43Å; L754-C757 PolarHBondContact O-SG 3.17Å; L754-G758 PolarHBondContact O-N 2.99Å; L754-V759 HydrophobicContact CB-CG1 4.44Å; L754-V759 HydrophobicContact CD2-CG1 3.86Å
755	E	94.7	Very high	95.5	Very high	108 Å²	108	40.7 Å²	40.7	51%	0.505	21%	0.208	S	C	.	.	H	α-helix	trans	-63.7	-46.4	173.2	-174.7	-179.1	170.1	0	0	111.4	E751 L752 C757 G758	E751-E755 WeakPolarHBondContact O-CB 3.35Å; E751-E755 PolarHBondContact O-N 3.38Å; L752-E755 WeakPolarHBondContact O-CB 3.39Å; L752-E755 PolarHBondContact O-N 2.93Å; E755-C757 PolarHBondContact O-N 3.3Å; E755-G758 PolarHBondContact O-N 3.42Å
756	L	93.9	Very high	95.2	Very high	10 Å²	10	46 Å²	46	5%	0.052	24%	0.237	C	C	.	.	H	α-helix	trans	-61.8	-45	-178.6	-69.9	176.5	0	0	0	112.6	Q653 L654 L657 Y668 F702 F704 F710 L752 G758	Q653-L756 PolarHBondContact NE2-O 3.28Å; L654-L756 HydrophobicContact CD2-CB 4.45Å; L657-L756 HydrophobicContact CD1-CB 4.41Å; L657-L756 HydrophobicContact CD1-CD2 4.15Å; L657-L756 WeakPolarHBondContact CD1-O 3.43Å; Y668-L756 HydrophobicContact CD1-CD2 3.67Å; Y668-L756 HydrophobicContact CE1-CD2 3.38Å; Y668-L756 HydrophobicContact CG-CD2 4.48Å; F702-L756 HydrophobicContact CD1-CD1 4.44Å; F704-L756 HydrophobicContact CZ-CD1 4.48Å; F710-L756 HydrophobicContact CD2-CD1 3.9Å; F710-L756 HydrophobicContact CE2-CD1 4.04Å; L752-L756 HydrophobicContact CD1-CD1 4.29Å; L752-L756 HydrophobicContact CD1-CD2 4.27Å; L752-L756 HydrophobicContact CD1-CG 3.98Å; L752-L756 HydrophobicContact CG-CD1 4.07Å; L752-L756 HydrophobicContact CG-CG 4.22Å; L752-L756 WeakPolarHBondContact O-CG 3.48Å; L752-L756 PolarHBondContact O-N 3.39Å; L756-G758 VanDerWaalsContact C-N 3.33Å
757	C	94.6	Very high	95	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-78.6	-18.6	177.8	74.3	0	0	0	0	113.1	I650 L654 Y712 A753 L754 E755 V759	I650-C757 HydrophobicContact CG2-CB 3.9Å; I650-C757 WeakPolarHBondContact CG2-O 3.3Å; L654-C757 HydrophobicContact CD1-CB 3.95Å; L654-C757 HydrophobicContact CD2-CB 4.07Å; L654-C757 HydrophobicContact CG-CB 4.2Å; Y712-C757 HydrophobicContact CD1-CB 3.79Å; Y712-C757 HydrophobicContact CE1-CB 3.59Å; A753-C757 PolarHBondContact O-N 2.98Å; L754-C757 PolarHBondContact O-SG 3.17Å; E755-C757 PolarHBondContact O-N 3.3Å; C757-V759 PolarHBondContact O-N 3.35Å
758	G	95	Very high	94.8	Very high	8 Å²	8	42.4 Å²	42.4	8%	0.082	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.9	19	177.8	0	0	0	0	0	114.2	L754 E755 L756 T760 K761 I762	L754-G758 PolarHBondContact O-N 2.99Å; E755-G758 PolarHBondContact O-N 3.42Å; L756-G758 VanDerWaalsContact C-N 3.33Å; G758-T760 VanDerWaalsContact C-N 3.27Å; G758-T760 PolarHBondContact O-N 3.24Å; G758-T760 VanDerWaalsContact O-N 3.17Å; G758-K761 WeakPolarHBondContact O-CB 3.29Å; G758-K761 PolarHBondContact O-N 3.35Å; G758-I762 PolarHBondContact O-N 3.48Å
759	V	95.2	Very high	94.5	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-53	-43	-173.2	63.5	0	0	0	0	112.4	Y639 I650 L724 L754 C757 K761 I762 T763	Y639-V759 HydrophobicContact CD1-CG2 3.9Å; Y639-V759 HydrophobicContact CD2-CG2 4.15Å; Y639-V759 HydrophobicContact CE1-CG1 4.28Å; Y639-V759 HydrophobicContact CE1-CG2 3.99Å; Y639-V759 HydrophobicContact CE2-CG1 4.12Å; Y639-V759 HydrophobicContact CE2-CG2 4.25Å; Y639-V759 HydrophobicContact CG-CG2 3.98Å; I650-V759 HydrophobicContact CD1-CB 4.29Å; I650-V759 HydrophobicContact CD1-CG2 4.19Å; L724-V759 HydrophobicContact CD2-CB 3.97Å; L724-V759 HydrophobicContact CD2-CG2 3.78Å; L754-V759 HydrophobicContact CB-CG1 4.44Å; L754-V759 HydrophobicContact CD2-CG1 3.86Å; C757-V759 PolarHBondContact O-N 3.35Å; V759-K761 PolarHBondContact O-N 2.98Å; V759-I762 PolarHBondContact O-N 2.89Å; V759-T763 HydrophobicContact CG2-CG2 4.02Å; V759-T763 WeakPolarHBondContact O-CB 3.35Å; V759-T763 PolarHBondContact O-N 3.28Å; V759-T763 PolarHBondContact O-OG1 3.45Å
760	T	94.3	Very high	94.1	Very high	60 Å²	60	44.9 Å²	44.9	37%	0.368	25%	0.247	S	C	.	.	H	α-helix	trans	-66.2	-37.4	178.8	-57.8	0	0	0	0	112.7	G758 G764 R765 I766	G758-T760 VanDerWaalsContact C-N 3.27Å; G758-T760 PolarHBondContact O-N 3.24Å; G758-T760 VanDerWaalsContact O-N 3.17Å; T760-G764 WeakPolarHBondContact O-CA 3.38Å; T760-G764 PolarHBondContact O-N 3.47Å; T760-R765 VanDerWaalsContact CA-O 3.25Å; T760-R765 WeakPolarHBondContact CA-O 3.47Å; T760-R765 WeakPolarHBondContact CB-O 3.43Å; T760-R765 PolarHBondContact OG1-O 2.94Å; T760-I766 HydrophobicContact CG2-CG2 4.06Å
761	K	95.5	Very high	93.9	Very high	186 Å²	186	47 Å²	47	81%	0.809	26%	0.258	S	S	*	.	H	α-helix	trans	-71.4	-40.2	179.1	-178.1	-175.8	172.3	-168.8	0	111.8	G758 V759	G758-K761 WeakPolarHBondContact O-CB 3.29Å; G758-K761 PolarHBondContact O-N 3.35Å; V759-K761 PolarHBondContact O-N 2.98Å
762	I	95	Very high	93.6	Very high	25 Å²	25	45 Å²	45	13%	0.128	25%	0.249	C	C	.	.	H	α-helix	trans	-82.6	-43.9	-173.8	-66.3	165.3	0	0	0	111.3	Q646 E649 I650 G758 V759	Q646-I762 HydrophobicContact CB-CG2 4Å; Q646-I762 HydrophobicContact CG-CG2 4.24Å; E649-I762 HydrophobicContact CB-CG2 4.18Å; E649-I762 HydrophobicContact CG-CD1 4.03Å; E649-I762 HydrophobicContact CG-CG1 4.36Å; E649-I762 HydrophobicContact CG-CG2 4.3Å; I650-I762 HydrophobicContact CB-CD1 4.35Å; I650-I762 HydrophobicContact CD1-CG2 4.41Å; I650-I762 HydrophobicContact CG1-CB 4.12Å; I650-I762 HydrophobicContact CG1-CD1 3.51Å; I650-I762 HydrophobicContact CG1-CG1 4.41Å; I650-I762 HydrophobicContact CG1-CG2 4.04Å; G758-I762 PolarHBondContact O-N 3.48Å; V759-I762 PolarHBondContact O-N 2.89Å
763	T	92.2	Very high	93.5	Very high	20 Å²	20	47.2 Å²	47.2	12%	0.123	26%	0.261	C	S	.	.	H	α-helix	trans	-98.1	-14.3	-174.7	71	0	0	0	0	113.6	Q646 I650 V759 R765	Q646-T763 HydrophobicContact CB-CG2 4.12Å; I650-T763 HydrophobicContact CD1-CG2 3.89Å; V759-T763 HydrophobicContact CG2-CG2 4.02Å; V759-T763 WeakPolarHBondContact O-CB 3.35Å; V759-T763 PolarHBondContact O-N 3.28Å; V759-T763 PolarHBondContact O-OG1 3.45Å; T763-R765 PolarHBondContact O-N 3.09Å; T763-R765 VanDerWaalsContact OG1-CB 3.26Å; T763-R765 WeakPolarHBondContact OG1-CB 3.24Å; T763-R765 VanDerWaalsContact OG1-CG 3.31Å; T763-R765 WeakPolarHBondContact OG1-CG 3.49Å; T763-R765 PolarHBondContact OG1-N 3.09Å; T763-R765 VanDerWaalsContact OG1-N 3.11Å
764	G	92.4	Very high	93.3	Very high	57 Å²	57	49.6 Å²	49.6	59%	0.588	28%	0.275	S	S	*	.			trans	72.1	-1	-169.6	0	0	0	0	0	114.4	T760	T760-G764 WeakPolarHBondContact O-CA 3.38Å; T760-G764 PolarHBondContact O-N 3.47Å
765	R	91.9	Very high	93.1	Very high	62 Å²	62	50.7 Å²	50.7	23%	0.234	28%	0.281	C	S	.	.			trans	-79.1	127.5	-177.4	-61.3	173.6	175.9	-131.5	9.6	111.1	Y639 E640 N641 T760 T763 N769	Y639-R765 HydrophobicContact CD1-CB 4.08Å; Y639-R765 HydrophobicContact CE1-CB 4.19Å; E640-R765 PolarHBondContact O-NH1 2.75Å; E640-R765 PolarHBondContact O-NH2 2.78Å; N641-R765 VanDerWaalsContact C-NH2 3.28Å; N641-R765 PolarHBondContact O-NH2 3.06Å; T760-R765 VanDerWaalsContact CA-O 3.25Å; T760-R765 WeakPolarHBondContact CA-O 3.47Å; T760-R765 WeakPolarHBondContact CB-O 3.43Å; T760-R765 PolarHBondContact OG1-O 2.94Å; T763-R765 PolarHBondContact O-N 3.09Å; T763-R765 VanDerWaalsContact OG1-CB 3.26Å; T763-R765 WeakPolarHBondContact OG1-CB 3.24Å; T763-R765 VanDerWaalsContact OG1-CG 3.31Å; T763-R765 WeakPolarHBondContact OG1-CG 3.49Å; T763-R765 PolarHBondContact OG1-N 3.09Å; T763-R765 VanDerWaalsContact OG1-N 3.11Å; R765-N769 PolarHBondContact NH1-OD1 3.13Å
766	I	91.3	Very high	93	Very high	152 Å²	152	47.3 Å²	47.3	78%	0.779	27%	0.268	S	S	*	.	S	Bend	trans	-100	-6.8	-178.5	61.4	170.3	0	0	0	113.5	T760	T760-I766 HydrophobicContact CG2-CG2 4.06Å
767	A	92.9	Very high	93	Very high	59 Å²	59	49.6 Å²	49.6	49%	0.488	28%	0.282	S	S	.	.	S	Bend	trans	-150.6	151.4	178.7	0	0	0	0	0	110.3	Y639	Y639-A767 VanDerWaalsContact CE1-C 3.49Å; Y639-A767 WeakPolarHBondContact CE1-O 3.49Å
768	P	94.2	Very high	92.9	Very high	24 Å²	24	52.9 Å²	52.9	16%	0.156	30%	0.3	C	S	.	.			trans	-71.9	162.9	172.1	33.9	-38.8	0	0	0	111.7	Y637 D638 Y639 I771	Y637-P768 HydrophobicContact CD1-CG 4.35Å; Y637-P768 HydrophobicContact CD2-CB 4.01Å; Y637-P768 HydrophobicContact CD2-CG 3.5Å; Y637-P768 HydrophobicContact CE2-CG 3.85Å; Y637-P768 HydrophobicContact CG-CB 4.05Å; Y637-P768 HydrophobicContact CG-CG 3.77Å; D638-P768 WeakPolarHBondContact O-CB 3.26Å; Y639-P768 HydrophobicContact CD2-CB 4.47Å; Y639-P768 HydrophobicContact CE1-CB 4.28Å; Y639-P768 HydrophobicContact CE2-CB 4.21Å; P768-I771 HydrophobicContact CB-CG1 4.45Å; P768-I771 HydrophobicContact CG-CD1 3.81Å; P768-I771 HydrophobicContact CG-CG1 3.45Å; P768-I771 VanDerWaalsContact CG-CG1 3.45Å
769	N	89.3	Confident	92.7	Very high	70 Å²	70	56.1 Å²	56.1	37%	0.374	32%	0.316	S	S	.	.	S	Bend	trans	-75.9	-42.8	171.7	-66.4	87.1	0	0	0	111.3	D638 E640 R765	D638-N769 PolarHBondContact O-N 2.88Å; E640-N769 HydrophobicContact CB-CB 4.17Å; E640-N769 HydrophobicContact CG-CB 4Å; E640-N769 PolarHBondContact N-OD1 2.97Å; R765-N769 PolarHBondContact NH1-OD1 3.13Å
770	V	90.8	Very high	92.5	Very high	1 Å²	1	60.5 Å²	60.5	1%	0.006	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	138.7	-178.7	-178	0	0	0	0	109.5	Y471 D638	Y471-V770 HydrophobicContact CE2-CG2 3.79Å; D638-V770 HydrophobicContact CB-CB 4.18Å; D638-V770 PolarHBondContact N-O 3.25Å; D638-V770 PolarHBondContact O-N 3.08Å
771	I	92.8	Very high	92.4	Very high	58 Å²	58	60.5 Å²	60.5	30%	0.297	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	127.6	171.9	-58.9	176.6	0	0	0	108.1	R636 Y637 P768	R636-I771 WeakPolarHBondContact O-CA 3.45Å; Y637-I771 HydrophobicContact CD1-CG1 4.15Å; Y637-I771 HydrophobicContact CD1-CG2 4.18Å; Y637-I771 HydrophobicContact CE1-CD1 4.09Å; Y637-I771 HydrophobicContact CE1-CG1 4Å; Y637-I771 HydrophobicContact CE1-CG2 3.83Å; P768-I771 HydrophobicContact CB-CG1 4.45Å; P768-I771 HydrophobicContact CG-CD1 3.81Å; P768-I771 HydrophobicContact CG-CG1 3.45Å; P768-I771 VanDerWaalsContact CG-CG1 3.45Å
772	T	90.4	Very high	92.1	Very high	12 Å²	12	49.1 Å²	49.1	7%	0.074	30%	0.295	C	S	.	.			trans	-110	0	169.5	-56.5	0	0	0	0	110.6	F507 P510 F583 T635 R636	F507-T772 WeakPolarHBondContact CE1-OXT 3.46Å; F507-T772 HydrophobicContact CZ-CG2 4.41Å; P510-T772 HydrophobicContact CG-CG2 4.25Å; F583-T772 HydrophobicContact CE2-CG2 3.66Å; F583-T772 HydrophobicContact CZ-CG2 3.57Å; T635-T772 CarbonylContact C-O 3.56Å; T635-T772 WeakPolarHBondContact CA-O 3.39Å; T635-T772 WeakPolarHBondContact CB-O 3.41Å; T635-T772 PolarHBondContact OG1-O 3.23Å; R636-T772 PolarHBondContact N-O 3.25Å; R636-T772 PolarHBondContact NH2-OG1 3.23Å; R636-T772 PolarHBondContact O-N 2.85Å

Retrieved 772 of 772 residues in 263.4 ms (Link to these results)

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