A0A5K4FDG0_SCHMA Loading...

Dynein axonemal intermediate chain 4

AlphaFold DB , UniProt , Accession A0A5K4FDG0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 631 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	43.9	Very low	67.1	Low	241 Å²	241	166.7 Å²	166.7	100%	1.187	87%	0.874	S	S	*	*				0	116	0	-75.4	-179.7	-170.5	0	0	107.4
2	N	50.2	Low	67.9	Low	168 Å²	168	167.2 Å²	167.2	90%	0.898	88%	0.876	S	S	*	*			trans	-108.4	115.6	165.1	-83.5	-1.3	0	0	0	107.1
3	T	58.7	Low	68.7	Low	128 Å²	128	165.7 Å²	165.7	79%	0.785	87%	0.867	S	S	*	*			trans	-81.1	118.1	170.4	31.7	0	0	0	0	109.2	N5	T3-N5 PolarHBondContact O-N 3.49Å
4	L	57.8	Low	69	Low	172 Å²	172	166.9 Å²	166.9	90%	0.901	87%	0.866	S	S	*	*			trans	-76.9	114.4	171.9	-76.7	158.8	0	0	0	109.1
5	N	71.3	Confident	69.7	Low	153 Å²	153	163.9 Å²	163.9	82%	0.818	86%	0.858	S	S	*	*	P	Polyproline II helix	trans	-84.4	132.9	168.4	-72.8	-19.5	0	0	0	109.7	T3	T3-N5 PolarHBondContact O-N 3.49Å
6	L	73.6	Confident	70.3	Confident	163 Å²	163	164.6 Å²	164.6	85%	0.853	86%	0.856	S	S	*	*	P	Polyproline II helix	trans	-74.8	145.3	175.5	-80.6	136.4	0	0	0	111.3
7	P	73.5	Confident	71	Confident	117 Å²	117	161.2 Å²	161.2	76%	0.76	85%	0.848	S	S	*	*	P	Polyproline II helix	trans	-76.2	145.7	178.8	30.3	-32.5	0	0	0	112.1
8	L	76.2	Confident	71.5	Confident	164 Å²	164	160.1 Å²	160.1	86%	0.859	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-72.9	139.7	173.7	-96.2	101.3	0	0	0	111.8
9	M	77.7	Confident	72.1	Confident	174 Å²	174	160.9 Å²	160.9	86%	0.857	84%	0.84	S	S	*	*			trans	-122.4	128.4	172.2	-96.3	-87	161	0	0	109.6
10	N	76.4	Confident	72.8	Confident	153 Å²	153	160.6 Å²	160.6	82%	0.818	84%	0.838	S	S	*	*			trans	-93.6	136.7	175.5	-70.6	-14.2	0	0	0	110.3
11	K	79.3	Confident	73.4	Confident	201 Å²	201	161.8 Å²	161.8	87%	0.874	84%	0.837	S	S	*	*			trans	-114.3	138.1	172.6	-70.6	-176.2	178.4	-179.2	0	110
12	L	76.5	Confident	75.4	Confident	172 Å²	172	158.3 Å²	158.3	90%	0.901	82%	0.823	S	S	*	*			trans	-91.2	138.4	171.3	-140.9	108.7	0	0	0	109.3
13	I	77.8	Confident	77.1	Confident	148 Å²	148	159.7 Å²	159.7	76%	0.759	82%	0.821	S	S	*	*			trans	-104	124.8	176.3	-60.6	172	0	0	0	107.6
14	Q	72.9	Confident	78.5	Confident	182 Å²	182	159.5 Å²	159.5	85%	0.85	83%	0.825	S	S	*	*			trans	-111.1	126.2	171	-154.8	171.5	-0.8	0	0	107.4
15	T	79.6	Confident	79.8	Confident	123 Å²	123	157.4 Å²	157.4	76%	0.755	82%	0.823	S	S	*	*			trans	-126.7	124.1	-178.9	-39.4	0	0	0	0	108.4
16	E	80.1	Confident	80.7	Confident	174 Å²	174	157.5 Å²	157.5	81%	0.813	82%	0.82	S	S	*	*			trans	-97.7	147.7	172.6	-71.5	-171.7	166	0	0	110.9
17	C	82.1	Confident	81.3	Confident	108 Å²	108	154 Å²	154	73%	0.73	82%	0.815	S	S	*	*			trans	-76	123.8	177.4	-173.8	0	0	0	0	110.5	H19	C17-H19 PolarHBondContact O-N 3.38Å; C17-H19 PolarHBondContact O-ND1 3.27Å
18	I	80.3	Confident	82.2	Confident	141 Å²	141	150.1 Å²	150.1	72%	0.723	79%	0.79	S	S	*	*			trans	-74.8	115.7	174.2	-57.9	172.6	0	0	0	108.2	L20	I18-L20 HydrophobicContact CG2-CD2 4.34Å; I18-L20 PolarHBondContact O-N 3.33Å
19	H	82.8	Confident	83	Confident	175 Å²	175	148.1 Å²	148.1	81%	0.81	78%	0.781	S	S	*	*			trans	-77.6	115	174.3	-72.3	62.1	0	0	0	109.7	C17	C17-H19 PolarHBondContact O-N 3.38Å; C17-H19 PolarHBondContact O-ND1 3.27Å
20	L	85.3	Confident	83.7	Confident	154 Å²	154	149.1 Å²	149.1	81%	0.806	78%	0.775	S	S	*	*			trans	-91.6	137.2	174.1	-62.9	169.1	0	0	0	109.5	I18	I18-L20 HydrophobicContact CG2-CD2 4.34Å; I18-L20 PolarHBondContact O-N 3.33Å
21	K	85.1	Confident	84.4	Confident	187 Å²	187	144.9 Å²	144.9	81%	0.813	75%	0.752	S	S	*	*			trans	-115.1	125.2	169.7	-77.9	-174.4	178.9	-179.2	0	108.7	K23	K21-K23 PolarHBondContact O-N 3.38Å
22	D	85.8	Confident	85	Confident	168 Å²	168	140.7 Å²	140.7	90%	0.898	74%	0.737	S	S	*	*			trans	-73.3	121.9	173.1	-65.8	-21.4	0	0	0	109.4
23	K	86	Confident	85.8	Confident	197 Å²	197	135.7 Å²	135.7	86%	0.857	71%	0.714	S	S	*	*			trans	-116.7	120.9	169.4	-70.9	-171.5	176.7	-175	0	108.1	K21	K21-K23 PolarHBondContact O-N 3.38Å
24	S	88.3	Confident	86.5	Confident	124 Å²	124	133.1 Å²	133.1	87%	0.867	70%	0.701	S	S	*	*			trans	-102.3	127.5	167.8	56.4	0	0	0	0	109.3
25	C	85.8	Confident	87.4	Confident	127 Å²	127	128.3 Å²	128.3	86%	0.858	69%	0.685	S	S	*	*			trans	-126.8	153.4	167.1	59.7	0	0	0	0	109.4
26	M	88.9	Confident	88.1	Confident	156 Å²	156	129.5 Å²	129.5	77%	0.768	68%	0.676	S	S	*	*			trans	-103.8	131.4	163.2	-175	170.1	66.8	0	0	106.2
27	A	87.8	Confident	88.7	Confident	89 Å²	89	126.4 Å²	126.4	74%	0.736	66%	0.662	S	S	*	*			trans	-110.9	102.5	171.6	0	0	0	0	0	107.1
28	S	92	Very high	89.2	Confident	35 Å²	35	127 Å²	127	25%	0.245	65%	0.652	C	S	.	*			trans	-99	165.2	167.9	74.3	0	0	0	0	110.1	W30 D31 M32	S28-W30 PolarHBondContact O-N 3.28Å; S28-W30 PolarHBondContact OG-N 3.28Å; S28-D31 VanDerWaalsContact CB-OD2 3.29Å; S28-D31 WeakPolarHBondContact CB-OD2 3.19Å; S28-D31 PolarHBondContact N-OD2 3.37Å; S28-D31 PolarHBondContact O-N 3.37Å; S28-D31 VanDerWaalsContact OG-CG 3.27Å; S28-D31 PolarHBondContact OG-N 3.28Å; S28-D31 PolarHBondContact OG-OD2 3.31Å; S28-M32 PolarHBondContact O-N 2.62Å
29	N	93.6	Very high	89.8	Confident	122 Å²	122	124.5 Å²	124.5	65%	0.652	64%	0.637	S	S	*	*	H	α-helix	trans	-59.7	-31.1	172.6	-70.7	-10.3	0	0	0	111.9	M32 V33	N29-M32 HydrophobicContact CB-CE 4.39Å; N29-M32 PolarHBondContact O-N 2.82Å; N29-M32 WeakPolarHBondContact OD1-CE 3.29Å; N29-V33 VanDerWaalsContact O-CG2 3.29Å; N29-V33 WeakPolarHBondContact O-CG2 3.38Å; N29-V33 PolarHBondContact O-N 2.7Å; N29-V33 VanDerWaalsContact O-N 3.09Å
30	W	92.5	Very high	90.2	Very high	195 Å²	195	119.3 Å²	119.3	74%	0.739	62%	0.615	S	S	*	*	H	α-helix	trans	-67.3	-43.8	177.6	-61.8	106.9	0	0	0	111.8	S28 M32 V33 D34	S28-W30 PolarHBondContact O-N 3.28Å; S28-W30 PolarHBondContact OG-N 3.28Å; W30-M32 VanDerWaalsContact C-N 3.26Å; W30-M32 PolarHBondContact O-N 3.4Å; W30-V33 PolarHBondContact O-N 3.46Å; W30-V33 VanDerWaalsContact O-N 3.1Å; W30-D34 PolarHBondContact O-N 2.81Å
31	D	90.6	Very high	90.5	Very high	65 Å²	65	117.9 Å²	117.9	35%	0.348	60%	0.604	S	S	.	*	H	α-helix	trans	-61.1	-36.9	177.7	-54	-59.5	0	0	0	111.8	S28 T35	S28-D31 VanDerWaalsContact CB-OD2 3.29Å; S28-D31 WeakPolarHBondContact CB-OD2 3.19Å; S28-D31 PolarHBondContact N-OD2 3.37Å; S28-D31 PolarHBondContact O-N 3.37Å; S28-D31 VanDerWaalsContact OG-CG 3.27Å; S28-D31 PolarHBondContact OG-N 3.28Å; S28-D31 PolarHBondContact OG-OD2 3.31Å; D31-T35 WeakPolarHBondContact O-CB 3.16Å; D31-T35 PolarHBondContact O-N 3.5Å; D31-T35 VanDerWaalsContact O-N 3.09Å; D31-T35 PolarHBondContact O-OG1 3.46Å
32	M	91.2	Very high	90.8	Very high	113 Å²	113	113.9 Å²	113.9	56%	0.557	59%	0.588	S	S	*	*	H	α-helix	trans	-67.9	-40.9	175.7	-68.7	-170.5	-67.7	0	0	112.1	S28 N29 W30 Y36	S28-M32 PolarHBondContact O-N 2.62Å; N29-M32 HydrophobicContact CB-CE 4.39Å; N29-M32 PolarHBondContact O-N 2.82Å; N29-M32 WeakPolarHBondContact OD1-CE 3.29Å; W30-M32 VanDerWaalsContact C-N 3.26Å; W30-M32 PolarHBondContact O-N 3.4Å; M32-Y36 VanDerWaalsContact O-CB 3.31Å; M32-Y36 WeakPolarHBondContact O-CB 3.44Å; M32-Y36 PolarHBondContact O-N 2.91Å
33	V	92.9	Very high	91	Very high	66 Å²	66	111.4 Å²	111.4	40%	0.4	57%	0.569	S	S	.	*	H	α-helix	trans	-64.1	-50.3	177.3	171.2	0	0	0	0	110.2	N29 W30 T35 Y36 E37	N29-V33 VanDerWaalsContact O-CG2 3.29Å; N29-V33 WeakPolarHBondContact O-CG2 3.38Å; N29-V33 PolarHBondContact O-N 2.7Å; N29-V33 VanDerWaalsContact O-N 3.09Å; W30-V33 PolarHBondContact O-N 3.46Å; W30-V33 VanDerWaalsContact O-N 3.1Å; V33-T35 VanDerWaalsContact C-N 3.3Å; V33-T35 PolarHBondContact O-N 3.1Å; V33-Y36 PolarHBondContact O-N 3.28Å; V33-Y36 VanDerWaalsContact O-N 3.08Å; V33-E37 HydrophobicContact CG1-CG 4.34Å; V33-E37 WeakPolarHBondContact O-CG 3.31Å; V33-E37 PolarHBondContact O-N 3.09Å
34	D	93.1	Very high	91.1	Very high	94 Å²	94	106.7 Å²	106.7	50%	0.503	55%	0.55	S	S	.	*	H	α-helix	trans	-59.7	-41	-179.8	-66.5	-5.3	0	0	0	111.7	W30 K38	W30-D34 PolarHBondContact O-N 2.81Å; D34-K38 WeakPolarHBondContact O-CB 3.3Å; D34-K38 PolarHBondContact O-N 3.09Å; D34-K38 VanDerWaalsContact O-N 3.1Å
35	T	92.1	Very high	91	Very high	82 Å²	82	106.3 Å²	106.3	50%	0.503	54%	0.535	S	S	.	.	H	α-helix	trans	-65.8	-41.7	176.7	-53.8	0	0	0	0	111.3	D31 V33 K38 E39	D31-T35 WeakPolarHBondContact O-CB 3.16Å; D31-T35 PolarHBondContact O-N 3.5Å; D31-T35 VanDerWaalsContact O-N 3.09Å; D31-T35 PolarHBondContact O-OG1 3.46Å; V33-T35 VanDerWaalsContact C-N 3.3Å; V33-T35 PolarHBondContact O-N 3.1Å; T35-K38 PolarHBondContact O-N 3.49Å; T35-E39 WeakPolarHBondContact O-CG 3.29Å; T35-E39 PolarHBondContact O-N 3.4Å
36	Y	93.8	Very high	91	Very high	148 Å²	148	105.6 Å²	105.6	58%	0.58	52%	0.519	S	S	*	.	H	α-helix	trans	-69.3	-40.4	-179.9	-172.8	-106.6	0	0	0	112.6	M32 V33 E39 I40	M32-Y36 VanDerWaalsContact O-CB 3.31Å; M32-Y36 WeakPolarHBondContact O-CB 3.44Å; M32-Y36 PolarHBondContact O-N 2.91Å; V33-Y36 PolarHBondContact O-N 3.28Å; V33-Y36 VanDerWaalsContact O-N 3.08Å; Y36-E39 PolarHBondContact O-N 3.01Å; Y36-I40 HydrophobicContact CD1-CD1 3.78Å; Y36-I40 HydrophobicContact CE1-CD1 3.45Å; Y36-I40 VanDerWaalsContact CE1-CD1 3.45Å; Y36-I40 HydrophobicContact CE1-CG1 4.32Å; Y36-I40 WeakPolarHBondContact O-CG1 3.5Å; Y36-I40 PolarHBondContact O-N 2.71Å; Y36-I40 VanDerWaalsContact O-N 3.08Å
37	E	93.2	Very high	90.6	Very high	109 Å²	109	101.7 Å²	101.7	51%	0.509	50%	0.504	S	S	.	.	H	α-helix	trans	-61.5	-45.2	174.5	-74	-175.8	171.7	0	0	111	V33 E39 I40 E41	V33-E37 HydrophobicContact CG1-CG 4.34Å; V33-E37 WeakPolarHBondContact O-CG 3.31Å; V33-E37 PolarHBondContact O-N 3.09Å; E37-E39 VanDerWaalsContact C-N 3.33Å; E37-E39 PolarHBondContact O-N 3.44Å; E37-I40 WeakPolarHBondContact O-CB 3.49Å; E37-I40 PolarHBondContact O-N 2.89Å; E37-I40 VanDerWaalsContact O-N 3.07Å; E37-E41 PolarHBondContact O-N 3Å
38	K	93.1	Very high	90.3	Very high	121 Å²	121	103.4 Å²	103.4	53%	0.526	50%	0.495	S	S	.	.	H	α-helix	trans	-60.4	-41	175.5	-170.4	-179.9	178.1	-174.6	0	112.7	D34 T35 I40 E41 E42	D34-K38 WeakPolarHBondContact O-CB 3.3Å; D34-K38 PolarHBondContact O-N 3.09Å; D34-K38 VanDerWaalsContact O-N 3.1Å; T35-K38 PolarHBondContact O-N 3.49Å; K38-I40 VanDerWaalsContact C-N 3.28Å; K38-I40 PolarHBondContact O-N 3.48Å; K38-E41 PolarHBondContact O-N 2.86Å; K38-E42 WeakPolarHBondContact CE-OE1 3.39Å; K38-E42 WeakPolarHBondContact O-CG 3.35Å; K38-E42 PolarHBondContact O-N 3.2Å
39	E	92.1	Very high	89.6	Confident	87 Å²	87	109.3 Å²	109.3	41%	0.407	51%	0.512	S	S	.	.	H	α-helix	trans	-63.1	-33.4	174.8	-77.6	-175.4	-171.5	0	0	112.9	T35 Y36 E37 K43	T35-E39 WeakPolarHBondContact O-CG 3.29Å; T35-E39 PolarHBondContact O-N 3.4Å; Y36-E39 PolarHBondContact O-N 3.01Å; E37-E39 VanDerWaalsContact C-N 3.33Å; E37-E39 PolarHBondContact O-N 3.44Å; E39-K43 VanDerWaalsContact O-CG 3.31Å; E39-K43 WeakPolarHBondContact O-CG 3.4Å; E39-K43 PolarHBondContact O-N 3.48Å
40	I	92.1	Very high	88.5	Confident	66 Å²	66	109.4 Å²	109.4	34%	0.338	51%	0.513	S	S	.	.	H	α-helix	trans	-68.6	-47.5	174.7	-69.8	168.4	0	0	0	109.9	Y36 E37 K38 E42 K43 E44	Y36-I40 HydrophobicContact CD1-CD1 3.78Å; Y36-I40 HydrophobicContact CE1-CD1 3.45Å; Y36-I40 VanDerWaalsContact CE1-CD1 3.45Å; Y36-I40 HydrophobicContact CE1-CG1 4.32Å; Y36-I40 WeakPolarHBondContact O-CG1 3.5Å; Y36-I40 PolarHBondContact O-N 2.71Å; Y36-I40 VanDerWaalsContact O-N 3.08Å; E37-I40 WeakPolarHBondContact O-CB 3.49Å; E37-I40 PolarHBondContact O-N 2.89Å; E37-I40 VanDerWaalsContact O-N 3.07Å; K38-I40 VanDerWaalsContact C-N 3.28Å; K38-I40 PolarHBondContact O-N 3.48Å; I40-E42 VanDerWaalsContact C-N 3.32Å; I40-E42 PolarHBondContact O-N 3.01Å; I40-K43 WeakPolarHBondContact O-CB 3.45Å; I40-K43 PolarHBondContact O-N 3.2Å; I40-K43 VanDerWaalsContact O-N 3.16Å; I40-E44 HydrophobicContact CG2-CG 4.48Å; I40-E44 PolarHBondContact O-N 2.96Å
41	E	91.2	Very high	87	Confident	125 Å²	125	107 Å²	107	58%	0.584	51%	0.514	S	S	*	.	H	α-helix	trans	-57.2	-45	176.9	-71	-177.7	167.5	0	0	111.6	E37 K38 K43 E44 E45	E37-E41 PolarHBondContact O-N 3Å; K38-E41 PolarHBondContact O-N 2.86Å; E41-K43 VanDerWaalsContact C-N 3.33Å; E41-K43 PolarHBondContact O-N 3.08Å; E41-E44 PolarHBondContact O-N 3.49Å; E41-E44 VanDerWaalsContact O-N 3.16Å; E41-E45 PolarHBondContact O-N 2.94Å
42	E	91.3	Very high	85.1	Confident	102 Å²	102	110 Å²	110	48%	0.477	53%	0.528	S	S	.	.	H	α-helix	trans	-60.6	-40.7	177.4	-74.5	177.8	-174.7	0	0	111.9	K38 I40 E45 E46	K38-E42 WeakPolarHBondContact CE-OE1 3.39Å; K38-E42 WeakPolarHBondContact O-CG 3.35Å; K38-E42 PolarHBondContact O-N 3.2Å; I40-E42 VanDerWaalsContact C-N 3.32Å; I40-E42 PolarHBondContact O-N 3.01Å; E42-E45 PolarHBondContact O-N 3.32Å; E42-E46 WeakPolarHBondContact O-CB 3.43Å; E42-E46 PolarHBondContact O-N 3.08Å
43	K	89.8	Confident	83	Confident	116 Å²	116	109.9 Å²	109.9	50%	0.504	54%	0.536	S	S	.	.	H	α-helix	trans	-67.3	-37.6	174.7	-74.7	168.7	-174.9	153.8	0	112.4	E39 I40 E41 E46 T47	E39-K43 VanDerWaalsContact O-CG 3.31Å; E39-K43 WeakPolarHBondContact O-CG 3.4Å; E39-K43 PolarHBondContact O-N 3.48Å; I40-K43 WeakPolarHBondContact O-CB 3.45Å; I40-K43 PolarHBondContact O-N 3.2Å; I40-K43 VanDerWaalsContact O-N 3.16Å; E41-K43 VanDerWaalsContact C-N 3.33Å; E41-K43 PolarHBondContact O-N 3.08Å; K43-E46 PolarHBondContact O-N 3.31Å; K43-T47 WeakPolarHBondContact O-CG2 3.35Å; K43-T47 PolarHBondContact O-N 3.1Å; K43-T47 PolarHBondContact O-OG1 3.04Å
44	E	88.3	Confident	80.6	Confident	98 Å²	98	114.2 Å²	114.2	46%	0.458	56%	0.557	S	S	.	*	H	α-helix	trans	-66.4	-39.4	174.7	-73.7	-168	-179.8	0	0	112.2	I40 E41 T47 K48	I40-E44 HydrophobicContact CG2-CG 4.48Å; I40-E44 PolarHBondContact O-N 2.96Å; E41-E44 PolarHBondContact O-N 3.49Å; E41-E44 VanDerWaalsContact O-N 3.16Å; E44-T47 VanDerWaalsContact CA-OG1 3.31Å; E44-T47 WeakPolarHBondContact CA-OG1 3.44Å; E44-T47 PolarHBondContact O-OG1 2.91Å; E44-K48 WeakPolarHBondContact O-CB 3.35Å; E44-K48 VanDerWaalsContact O-CG 3.25Å; E44-K48 WeakPolarHBondContact O-CG 3.49Å; E44-K48 PolarHBondContact O-N 3.42Å; E44-K48 IonicContact OE2-NZ 3.99Å
45	E	86.1	Confident	78	Confident	116 Å²	116	117.5 Å²	117.5	54%	0.542	58%	0.575	S	S	.	*	H	α-helix	trans	-67.5	-37.9	174.2	-72.7	-166.7	161.8	0	0	112.4	E41 E42 R49	E41-E45 PolarHBondContact O-N 2.94Å; E42-E45 PolarHBondContact O-N 3.32Å; E45-R49 WeakPolarHBondContact O-CB 3.4Å; E45-R49 WeakPolarHBondContact O-CG 3.4Å; E45-R49 PolarHBondContact O-N 2.85Å; E45-R49 PolarHBondContact O-NE 3.42Å
46	E	85	Confident	75.2	Confident	112 Å²	112	118.2 Å²	118.2	52%	0.523	58%	0.583	S	S	.	*	H	α-helix	trans	-66.6	-42.4	175.7	-166.7	171.8	-158.8	0	0	111.7	E42 K43 R49 N50	E42-E46 WeakPolarHBondContact O-CB 3.43Å; E42-E46 PolarHBondContact O-N 3.08Å; K43-E46 PolarHBondContact O-N 3.31Å; E46-R49 PolarHBondContact O-N 2.98Å; E46-N50 VanDerWaalsContact O-CG 3.24Å; E46-N50 PolarHBondContact O-N 3.33Å; E46-N50 PolarHBondContact O-ND2 3.41Å
47	T	81.7	Confident	72.4	Confident	74 Å²	74	119.8 Å²	119.8	45%	0.454	60%	0.596	S	S	.	*	H	α-helix	trans	-65.4	-41.8	174.1	49.3	0	0	0	0	112.4	K43 E44 R49 N50 L51	K43-T47 WeakPolarHBondContact O-CG2 3.35Å; K43-T47 PolarHBondContact O-N 3.1Å; K43-T47 PolarHBondContact O-OG1 3.04Å; E44-T47 VanDerWaalsContact CA-OG1 3.31Å; E44-T47 WeakPolarHBondContact CA-OG1 3.44Å; E44-T47 PolarHBondContact O-OG1 2.91Å; T47-R49 VanDerWaalsContact C-N 3.32Å; T47-R49 PolarHBondContact O-N 3.49Å; T47-N50 PolarHBondContact O-N 3.46Å; T47-L51 WeakPolarHBondContact O-CB 3.38Å; T47-L51 WeakPolarHBondContact O-CD1 3.32Å; T47-L51 WeakPolarHBondContact O-CG 3.28Å; T47-L51 PolarHBondContact O-N 3.23Å
48	K	81.2	Confident	69.6	Low	126 Å²	126	126.7 Å²	126.7	55%	0.548	62%	0.617	S	S	.	*	H	α-helix	trans	-59.4	-40	172.2	-76.2	167.6	-174.6	159	0	112.2	E44 L51 L52	E44-K48 WeakPolarHBondContact O-CB 3.35Å; E44-K48 VanDerWaalsContact O-CG 3.25Å; E44-K48 WeakPolarHBondContact O-CG 3.49Å; E44-K48 PolarHBondContact O-N 3.42Å; E44-K48 IonicContact OE2-NZ 3.99Å; K48-L51 PolarHBondContact O-N 3.46Å; K48-L52 PolarHBondContact O-N 3Å
49	R	76	Confident	66.7	Low	158 Å²	158	130.4 Å²	130.4	60%	0.596	63%	0.633	S	S	*	*	H	α-helix	trans	-64.1	-41.2	174.6	-81.8	-178.1	-81.2	-161.2	-4.8	112.4	E45 E46 T47 L51	E45-R49 WeakPolarHBondContact O-CB 3.4Å; E45-R49 WeakPolarHBondContact O-CG 3.4Å; E45-R49 PolarHBondContact O-N 2.85Å; E45-R49 PolarHBondContact O-NE 3.42Å; E46-R49 PolarHBondContact O-N 2.98Å; T47-R49 VanDerWaalsContact C-N 3.32Å; T47-R49 PolarHBondContact O-N 3.49Å; R49-L51 VanDerWaalsContact C-N 3.32Å; R49-L51 PolarHBondContact O-N 3.06Å
50	N	70.7	Confident	63.9	Low	125 Å²	125	135.7 Å²	135.7	67%	0.668	66%	0.655	S	S	*	*	H	α-helix	trans	-74.6	-19.4	-179.9	-67.7	-25.2	0	0	0	113.9	E46 T47	E46-N50 VanDerWaalsContact O-CG 3.24Å; E46-N50 PolarHBondContact O-N 3.33Å; E46-N50 PolarHBondContact O-ND2 3.41Å; T47-N50 PolarHBondContact O-N 3.46Å
51	L	61.1	Low	61.1	Low	145 Å²	145	139.7 Å²	139.7	76%	0.759	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.6	-8.9	178.3	-75.3	160.8	0	0	0	113.7	T47 K48 R49	T47-L51 WeakPolarHBondContact O-CB 3.38Å; T47-L51 WeakPolarHBondContact O-CD1 3.32Å; T47-L51 WeakPolarHBondContact O-CG 3.28Å; T47-L51 PolarHBondContact O-N 3.23Å; K48-L51 PolarHBondContact O-N 3.46Å; R49-L51 VanDerWaalsContact C-N 3.32Å; R49-L51 PolarHBondContact O-N 3.06Å
52	L	51.4	Low	58.2	Low	126 Å²	126	136.6 Å²	136.6	66%	0.66	68%	0.683	S	S	*	*	S	Bend	trans	-80.5	123.6	170.6	-78.6	158.2	0	0	0	108.9	K48 D54	K48-L52 PolarHBondContact O-N 3Å; L52-D54 PolarHBondContact O-N 3.21Å
53	P	45.8	Very low	55.3	Low	111 Å²	111	138.7 Å²	138.7	72%	0.721	70%	0.698	S	S	*	*			trans	-64.7	123.8	-179.6	25.4	-30.6	0	0	0	109.4	N55	P53-N55 PolarHBondContact O-N 2.89Å
54	D	44.5	Very low	52.5	Low	158 Å²	158	139.5 Å²	139.5	85%	0.845	71%	0.708	S	S	*	*			trans	-49.6	97.6	174.1	-99.2	-25.5	0	0	0	110.2	L52 S56	L52-D54 PolarHBondContact O-N 3.21Å; D54-S56 PolarHBondContact O-N 3.4Å
55	N	37.5	Very low	50	Low	162 Å²	162	143.3 Å²	143.3	87%	0.866	73%	0.731	S	S	*	*			trans	-71.8	86.3	161.2	-90.8	-27.6	0	0	0	107	P53 H57	P53-N55 PolarHBondContact O-N 2.89Å; N55-H57 VanDerWaalsContact C-N 3.26Å; N55-H57 PolarHBondContact O-N 3.08Å
56	S	33.2	Very low	47.3	Very low	97 Å²	97	144.8 Å²	144.8	68%	0.678	74%	0.742	S	S	*	*			trans	-62.7	75.7	177.9	60.6	0	0	0	0	112	D54	D54-S56 PolarHBondContact O-N 3.4Å
57	H	36	Very low	44.7	Very low	182 Å²	182	146 Å²	146	84%	0.843	75%	0.752	S	S	*	*			trans	-158.8	80.7	161.3	-84	-55.7	0	0	0	111.4	N55	N55-H57 VanDerWaalsContact C-N 3.26Å; N55-H57 PolarHBondContact O-N 3.08Å
58	R	33.9	Very low	42.2	Very low	253 Å²	253	148.7 Å²	148.7	96%	0.955	76%	0.764	S	S	*	*			trans	-166.8	77.3	138.7	-112.6	170	176.3	-176.7	-2.2	111.4
59	K	32.5	Very low	39.8	Very low	199 Å²	199	150.8 Å²	150.8	87%	0.865	78%	0.775	S	S	*	*			trans	-70.8	127	153.8	-90.6	177.9	176.3	171.4	0	108.3
60	K	32.3	Very low	37.6	Very low	198 Å²	198	153.6 Å²	153.6	86%	0.861	79%	0.792	S	S	*	*			trans	45.4	95.7	143.9	-68.1	-177.9	173.1	-176.5	0	116.7
61	V	34.4	Very low	35.6	Very low	150 Å²	150	154.3 Å²	154.3	91%	0.909	80%	0.796	S	S	*	*			trans	-136.7	110.9	137.1	-178.2	0	0	0	0	106.3
62	G	29.7	Very low	33.9	Very low	60 Å²	60	151.9 Å²	151.9	62%	0.619	79%	0.791	S	S	*	*			trans	-84.1	172.7	167.4	0	0	0	0	0	110.9
63	N	30.9	Very low	32.8	Very low	146 Å²	146	150.9 Å²	150.9	78%	0.781	80%	0.795	S	S	*	*			trans	84.9	120.3	166.5	-71.3	20.2	0	0	0	117.9
64	D	30.5	Very low	32.1	Very low	134 Å²	134	153 Å²	153	72%	0.717	80%	0.798	S	S	*	*			trans	67.7	109.9	140.7	-50.5	-27.1	0	0	0	117.2
65	L	35.6	Very low	31.5	Very low	178 Å²	178	153.9 Å²	153.9	93%	0.932	79%	0.794	S	S	*	*				176.4	133	111.5	-87.5	154.2	0	0	0	111.2
66	N	30	Very low	31	Very low	147 Å²	147	152 Å²	152	79%	0.786	79%	0.789	S	S	*	*			trans	-63.4	160.7	171.6	-76.7	-34.6	0	0	0	113
67	N	30.1	Very low	30.7	Very low	136 Å²	136	153.2 Å²	153.2	73%	0.727	79%	0.792	S	S	*	*			trans	88.3	131.3	145.7	-79.2	12	0	0	0	121
68	D	29.7	Very low	30.3	Very low	131 Å²	131	151.8 Å²	151.8	70%	0.701	79%	0.79	S	S	*	*			trans	91	109.6	145.2	-57.2	-21.3	0	0	0	119.6
69	H	29.8	Very low	30	Very low	171 Å²	171	147.1 Å²	147.1	79%	0.792	78%	0.784	S	S	*	*			trans	24.4	111.9	135.7	-84.5	-63.7	0	0	0	116.5
70	F	30.8	Very low	29.7	Very low	216 Å²	216	146.6 Å²	146.6	95%	0.947	79%	0.785	S	S	*	*			trans	-150.2	125.7	137.9	-105.3	-75	0	0	0	112.2
71	D	27.7	Very low	29.5	Very low	141 Å²	141	146.2 Å²	146.2	75%	0.754	78%	0.783	S	S	*	*			trans	-59	151.8	177.2	-94.2	-41.2	0	0	0	115.2
72	S	26.6	Very low	29.2	Very low	94 Å²	94	146 Å²	146	66%	0.657	78%	0.777	S	S	*	*			trans	62.8	127.6	135	76.3	0	0	0	0	121.1
73	S	26.8	Very low	29	Very low	105 Å²	105	151 Å²	151	73%	0.734	79%	0.788	S	S	*	*			trans	68.2	95.8	133.7	64.4	0	0	0	0	119.2
74	I	32.7	Very low	28.8	Very low	154 Å²	154	150.2 Å²	150.2	79%	0.79	78%	0.783	S	S	*	*			trans	-141	103.7	150.1	-63.3	-172.5	0	0	0	111.5
75	K	31.5	Very low	28.8	Very low	177 Å²	177	150.3 Å²	150.3	77%	0.77	78%	0.783	S	S	*	*			trans	60.1	117	130.2	-59.2	178.3	-176.4	174	0	120.3
76	T	26.7	Very low	28.7	Very low	122 Å²	122	148.7 Å²	148.7	75%	0.748	77%	0.77	S	S	*	*				45.1	123.3	95.9	18.2	0	0	0	0	113
77	T	26	Very low	28.7	Very low	123 Å²	123	147.5 Å²	147.5	76%	0.755	77%	0.771	S	S	*	*				177.6	159.1	74.7	-37.7	0	0	0	0	108.4
78	L	27.6	Very low	28.9	Very low	152 Å²	152	147.1 Å²	147.1	80%	0.796	77%	0.769	S	S	*	*			trans	108.5	91.3	165.7	-66.5	142.1	0	0	0	115.4
79	N	28.7	Very low	28.9	Very low	155 Å²	155	148.5 Å²	148.5	83%	0.829	78%	0.776	S	S	*	*				-177.7	94.3	111.1	-89.4	-23.1	0	0	0	111.1
80	Q	25.4	Very low	28.7	Very low	189 Å²	189	144.5 Å²	144.5	88%	0.883	78%	0.782	S	S	*	*			trans	-75.4	114.4	151.2	-78.8	174.7	-23.9	0	0	107.4
81	K	27.5	Very low	28.6	Very low	189 Å²	189	137.1 Å²	137.1	82%	0.822	77%	0.766	S	S	*	*			trans	-172.3	125.2	150.4	-106.3	162.4	-174.5	-177.8	0	111.3
82	N	28.2	Very low	28.8	Very low	146 Å²	146	136.6 Å²	136.6	78%	0.781	77%	0.77	S	S	*	*			trans	71.9	89.1	153.1	-57.8	-9.5	0	0	0	118.1	L84	N82-L84 PolarHBondContact O-N 2.89Å; N82-L84 VanDerWaalsContact O-N 3.16Å
83	I	27.3	Very low	28.9	Very low	164 Å²	164	140.5 Å²	140.5	84%	0.841	78%	0.783	S	S	*	*			trans	-74.3	94.8	155.5	-62.2	168.4	0	0	0	107.1	L85	I83-L85 HydrophobicContact CG2-CG 4.14Å
84	L	26.9	Very low	29	Very low	131 Å²	131	144.3 Å²	144.3	69%	0.686	79%	0.789	S	S	*	*			trans	-105.5	105	161	-169	75.8	0	0	0	106.1	N82 Q86	N82-L84 PolarHBondContact O-N 2.89Å; N82-L84 VanDerWaalsContact O-N 3.16Å; L84-Q86 PolarHBondContact O-N 2.8Å
85	L	30.5	Very low	28.9	Very low	135 Å²	135	142.1 Å²	142.1	71%	0.707	79%	0.788	S	S	*	*			trans	-73.9	101.9	175	-74.9	159.8	0	0	0	108.3	I83	I83-L85 HydrophobicContact CG2-CG 4.14Å
86	Q	32.5	Very low	28.8	Very low	144 Å²	144	139.1 Å²	139.1	67%	0.673	79%	0.788	S	S	*	*			trans	-94.4	146.9	159.9	-77	-176.5	-13	0	0	109.6	L84	L84-Q86 PolarHBondContact O-N 2.8Å
87	P	29.3	Very low	28.8	Very low	122 Å²	122	141.6 Å²	141.6	79%	0.792	80%	0.796	S	S	*	*			trans	-100.6	90.8	-174.7	35.1	-22.4	0	0	0	109.9
88	D	34	Very low	29	Very low	129 Å²	129	141.6 Å²	141.6	69%	0.69	80%	0.801	S	S	*	*			trans	-131.8	120.9	174.7	-73.8	-35.4	0	0	0	111.7
89	D	30.3	Very low	29.1	Very low	159 Å²	159	139.9 Å²	139.9	85%	0.85	80%	0.802	S	S	*	*			trans	47.9	137.8	139.3	-66.7	-22.6	0	0	0	122.5
90	G	26.4	Very low	28.9	Very low	88 Å²	88	136.2 Å²	136.2	91%	0.907	80%	0.801	S	S	*	*			trans	-59.7	131.9	-174.4	0	0	0	0	0	115.1
91	G	28.1	Very low	29.2	Very low	60 Å²	60	137.1 Å²	137.1	62%	0.619	80%	0.802	S	S	*	*			trans	-175.5	135.3	160	0	0	0	0	0	108.6	L93	G91-L93 PolarHBondContact O-N 3.35Å
92	P	31.3	Very low	29.2	Very low	130 Å²	130	135.1 Å²	135.1	84%	0.844	81%	0.806	S	S	*	*			trans	-79	112.4	179.5	31.3	-27.6	0	0	0	108.7
93	L	30.4	Very low	29.1	Very low	176 Å²	176	139.6 Å²	139.6	92%	0.921	81%	0.812	S	S	*	*			trans	-94.2	126.7	166.7	-82.9	164	0	0	0	109.8	G91	G91-L93 PolarHBondContact O-N 3.35Å
94	E	27.1	Very low	29.2	Very low	186 Å²	186	138.9 Å²	138.9	87%	0.869	82%	0.815	S	S	*	*			trans	-58.9	144.7	177.3	-59.5	179.3	145.1	0	0	112.3
95	S	31	Very low	29.3	Very low	108 Å²	108	137.6 Å²	137.6	76%	0.755	82%	0.817	S	S	*	*			trans	-140.3	101.2	154.8	67.1	0	0	0	0	110.2
96	S	30.2	Very low	29.3	Very low	113 Å²	113	140.9 Å²	140.9	79%	0.79	83%	0.829	S	S	*	*			trans	14.1	120.9	142.2	57.2	0	0	0	0	118.5
97	L	27.2	Very low	29.1	Very low	175 Å²	175	137.6 Å²	137.6	92%	0.916	83%	0.833	S	S	*	*			trans	-55.6	134.1	164.8	-70.9	120.2	0	0	0	113
98	S	29.7	Very low	28.9	Very low	122 Å²	122	142.1 Å²	142.1	85%	0.853	84%	0.841	S	S	*	*			trans	-117.5	103.9	145.3	66.5	0	0	0	0	108.2
99	S	29.1	Very low	28.6	Very low	117 Å²	117	145.3 Å²	145.3	82%	0.818	85%	0.851	S	S	*	*			trans	-69.8	125.8	177.8	52.8	0	0	0	0	111.8
100	G	25.5	Very low	28.4	Very low	77 Å²	77	143 Å²	143	79%	0.794	85%	0.848	S	S	*	*			trans	-137.3	88.6	159.1	0	0	0	0	0	108.7
101	K	30.1	Very low	28.6	Very low	208 Å²	208	144.1 Å²	144.1	90%	0.904	84%	0.842	S	S	*	*			trans	-122	109.6	169.4	-85.2	-174.3	178	176.8	0	109.6
102	T	27.6	Very low	28.5	Very low	148 Å²	148	149.4 Å²	149.4	91%	0.908	85%	0.851	S	S	*	*			trans	-67.3	125.1	159.1	28.7	0	0	0	0	109.3
103	R	26.2	Very low	28.5	Very low	240 Å²	240	154.3 Å²	154.3	91%	0.906	85%	0.854	S	S	*	*			trans	-74.1	138.6	174.1	-85.4	174.5	161.2	177.1	-5.5	110.8
104	T	29.9	Very low	28.5	Very low	148 Å²	148	152 Å²	152	91%	0.908	85%	0.847	S	S	*	*			trans	-133	132	138.6	43.6	0	0	0	0	108.5
105	S	28.3	Very low	28.5	Very low	104 Å²	104	149 Å²	149	73%	0.727	84%	0.841	S	S	*	*			trans	-107	143.2	-169.7	50.6	0	0	0	0	111
106	Q	31.7	Very low	28.6	Very low	205 Å²	205	152 Å²	152	96%	0.958	85%	0.85	S	S	*	*			trans	175.2	132.4	155	-99.7	165	14.6	0	0	105.7
107	G	28.7	Very low	28.7	Very low	74 Å²	74	153.7 Å²	153.7	76%	0.763	85%	0.849	S	S	*	*			cis	177	132.3	-1.2	0	0	0	0	0	104.5
108	F	24.8	Very low	29	Very low	218 Å²	218	152.4 Å²	152.4	96%	0.956	85%	0.849	S	S	*	*			trans	-104.2	125.2	175.9	-101.3	-85.1	0	0	0	109
109	E	26.8	Very low	29.2	Very low	195 Å²	195	154.5 Å²	154.5	91%	0.911	85%	0.847	S	S	*	*			trans	-93	140.3	159.7	-80.7	-175.3	159.1	0	0	109.8
110	S	26.7	Very low	29.4	Very low	111 Å²	111	155.7 Å²	155.7	78%	0.776	85%	0.845	S	S	*	*			trans	-104.7	148.7	-176.4	51.5	0	0	0	0	111.1
111	S	29.6	Very low	29.8	Very low	112 Å²	112	157.6 Å²	157.6	78%	0.783	84%	0.841	S	S	*	*			trans	-158.3	102.6	156.2	-43.9	0	0	0	0	109.3
112	Q	26	Very low	30	Very low	171 Å²	171	155.3 Å²	155.3	80%	0.799	84%	0.839	S	S	*	*				77.4	111.8	99.9	-75.5	-172.5	4.6	0	0	115.4
113	Y	31.4	Very low	30.9	Very low	232 Å²	232	150.7 Å²	150.7	91%	0.91	81%	0.812	S	S	*	*			trans	-141.2	106.9	135.5	-85.9	-73	0	0	0	111.9
114	T	30.6	Very low	31.8	Very low	129 Å²	129	147.3 Å²	147.3	79%	0.791	81%	0.807	S	S	*	*			trans	8.6	129.2	151.8	50.5	0	0	0	0	122.2
115	T	27.1	Very low	32.7	Very low	121 Å²	121	143.4 Å²	143.4	74%	0.742	79%	0.786	S	S	*	*			trans	-78.5	148.4	165.8	46	0	0	0	0	112.7
116	N	33.8	Very low	33.4	Very low	173 Å²	173	142.1 Å²	142.1	93%	0.925	77%	0.771	S	S	*	*			trans	-116.5	122.4	156.3	-94.9	-18.9	0	0	0	109.3
117	N	31.4	Very low	34	Very low	147 Å²	147	137.6 Å²	137.6	79%	0.786	75%	0.753	S	S	*	*			trans	-74	140.6	-177.3	-71.4	-35	0	0	0	112.8
118	T	34.2	Very low	35.1	Very low	149 Å²	149	139 Å²	139	91%	0.914	74%	0.742	S	S	*	*			trans	-140.5	141.3	140.2	17.6	0	0	0	0	109.9
119	M	32.7	Very low	36.1	Very low	165 Å²	165	136.3 Å²	136.3	81%	0.813	73%	0.73	S	S	*	*			trans	-80.6	158.1	-154.7	-74.7	175	167.9	0	0	116.4
120	N	34.6	Very low	37.3	Very low	142 Å²	142	132.5 Å²	132.5	76%	0.759	71%	0.714	S	S	*	*			trans	74.5	124	149.7	-58	-19.9	0	0	0	116.2
121	T	33.7	Very low	38.5	Very low	118 Å²	118	132.9 Å²	132.9	72%	0.724	70%	0.704	S	S	*	*			cis	-151.2	128.4	31.9	48.3	0	0	0	0	109.8	S123	T121-S123 PolarHBondContact O-N 3.47Å
122	N	34.1	Very low	39.7	Very low	160 Å²	160	131.4 Å²	131.4	86%	0.856	69%	0.687	S	S	*	*			trans	-84.5	111.3	-177.6	-65.7	-17.6	0	0	0	111.7
123	S	46.1	Very low	41.5	Very low	50 Å²	50	128 Å²	128	35%	0.35	67%	0.674	S	S	.	*			trans	-97.1	141.9	156.8	72.6	0	0	0	0	108.9	T121 S125 D126	T121-S123 PolarHBondContact O-N 3.47Å; S123-S125 WeakPolarHBondContact CB-OG 3.36Å; S123-S125 PolarHBondContact O-N 3.5Å; S123-S125 PolarHBondContact OG-OG 3.21Å; S123-D126 PolarHBondContact N-OD2 3.11Å; S123-D126 PolarHBondContact O-N 2.95Å; S123-D126 PolarHBondContact OG-OD2 3.2Å
124	E	44.7	Very low	42.8	Very low	169 Å²	169	119.4 Å²	119.4	79%	0.79	65%	0.651	S	S	*	*	H	α-helix	trans	-53.2	-25.6	178.3	-83.8	-179.1	144.4	0	0	112.9	D126 L127 I128	E124-D126 VanDerWaalsContact C-N 3.35Å; E124-D126 PolarHBondContact O-N 3.18Å; E124-L127 PolarHBondContact O-N 3.36Å; E124-I128 PolarHBondContact O-N 3.15Å
125	S	49.3	Very low	44.3	Very low	67 Å²	67	116.5 Å²	116.5	47%	0.469	63%	0.63	S	S	.	*	H	α-helix	trans	-61.8	-34.3	172.9	19.8	0	0	0	0	114	S123 I128 F129	S123-S125 WeakPolarHBondContact CB-OG 3.36Å; S123-S125 PolarHBondContact O-N 3.5Å; S123-S125 PolarHBondContact OG-OG 3.21Å; S125-I128 PolarHBondContact O-N 3.01Å; S125-F129 PolarHBondContact O-N 3.5Å
126	D	43.7	Very low	46	Very low	76 Å²	76	115 Å²	115	41%	0.406	62%	0.618	S	S	.	*	H	α-helix	trans	-74.8	-30.4	180	-60	-48.5	0	0	0	111.7	S123 E124 F129 I130	S123-D126 PolarHBondContact N-OD2 3.11Å; S123-D126 PolarHBondContact O-N 2.95Å; S123-D126 PolarHBondContact OG-OD2 3.2Å; E124-D126 VanDerWaalsContact C-N 3.35Å; E124-D126 PolarHBondContact O-N 3.18Å; D126-F129 PolarHBondContact O-N 3.07Å; D126-I130 WeakPolarHBondContact O-CB 3.33Å; D126-I130 WeakPolarHBondContact O-CD1 3.47Å; D126-I130 WeakPolarHBondContact O-CG1 3.43Å; D126-I130 PolarHBondContact O-N 3.41Å
127	L	44.8	Very low	47.2	Very low	111 Å²	111	112.3 Å²	112.3	58%	0.581	60%	0.599	S	S	*	*	H	α-helix	trans	-68.8	-35.6	174.6	-80.2	162.6	0	0	0	112.1	E124 H131	E124-L127 PolarHBondContact O-N 3.36Å; L127-H131 WeakPolarHBondContact O-CB 3.43Å; L127-H131 PolarHBondContact O-N 3.39Å
128	I	51.8	Low	48.3	Very low	104 Å²	104	110.7 Å²	110.7	53%	0.533	59%	0.59	S	S	.	*	H	α-helix	trans	-69.2	-43.7	175.5	-63.4	169.8	0	0	0	110.3	E124 S125 I130 H131 D132	E124-I128 PolarHBondContact O-N 3.15Å; S125-I128 PolarHBondContact O-N 3.01Å; I128-I130 PolarHBondContact O-N 2.97Å; I128-H131 PolarHBondContact O-N 2.9Å; I128-D132 PolarHBondContact O-N 3.16Å
129	F	45.7	Very low	49.5	Very low	160 Å²	160	107.2 Å²	107.2	70%	0.702	57%	0.566	S	S	*	*	H	α-helix	trans	-63.1	-39.1	176.1	-97.7	-79.2	0	0	0	112.9	S125 D126 H131 N133	S125-F129 PolarHBondContact O-N 3.5Å; D126-F129 PolarHBondContact O-N 3.07Å; F129-H131 VanDerWaalsContact C-N 3.34Å; F129-N133 VanDerWaalsContact O-CB 3.3Å; F129-N133 WeakPolarHBondContact O-CB 3.31Å; F129-N133 PolarHBondContact O-N 3.19Å
130	I	50.3	Low	50.8	Low	115 Å²	115	105.6 Å²	105.6	59%	0.59	56%	0.556	S	S	*	*	H	α-helix	trans	-66.3	-38.6	175.7	-67.2	163.4	0	0	0	110.8	D126 I128 N133 A134	D126-I130 WeakPolarHBondContact O-CB 3.33Å; D126-I130 WeakPolarHBondContact O-CD1 3.47Å; D126-I130 WeakPolarHBondContact O-CG1 3.43Å; D126-I130 PolarHBondContact O-N 3.41Å; I128-I130 PolarHBondContact O-N 2.97Å; I130-N133 PolarHBondContact O-N 3.23Å; I130-A134 WeakPolarHBondContact O-CB 3.5Å; I130-A134 PolarHBondContact O-N 2.95Å
131	H	53	Low	51.9	Low	119 Å²	119	103.5 Å²	103.5	55%	0.551	55%	0.545	S	S	*	.	H	α-helix	trans	-67.9	-44	177.8	-169.5	-92.3	0	0	0	112.3	L127 I128 F129 N133 A134 I135	L127-H131 WeakPolarHBondContact O-CB 3.43Å; L127-H131 PolarHBondContact O-N 3.39Å; I128-H131 PolarHBondContact O-N 2.9Å; F129-H131 VanDerWaalsContact C-N 3.34Å; H131-N133 VanDerWaalsContact C-N 3.33Å; H131-N133 PolarHBondContact O-N 2.93Å; H131-A134 PolarHBondContact O-N 3.39Å; H131-I135 WeakPolarHBondContact CE1-CD1 3.37Å; H131-I135 WeakPolarHBondContact ND1-CD1 3.47Å; H131-I135 WeakPolarHBondContact O-CG1 3.4Å; H131-I135 PolarHBondContact O-N 3.42Å
132	D	55.6	Low	53.1	Low	82 Å²	82	101.1 Å²	101.1	44%	0.439	53%	0.53	S	S	.	.	H	α-helix	trans	-65.9	-35.3	176	-77.6	-16.8	0	0	0	112.1	I128 I135 N136	I128-D132 PolarHBondContact O-N 3.16Å; D132-I135 PolarHBondContact O-N 3.4Å; D132-N136 WeakPolarHBondContact O-CB 3.42Å; D132-N136 PolarHBondContact O-N 2.96Å; D132-N136 PolarHBondContact O-ND2 3.46Å
133	N	62.8	Low	54.4	Low	98 Å²	98	99.1 Å²	99.1	52%	0.524	52%	0.519	S	S	.	.	H	α-helix	trans	-71.3	-37.2	176.7	-143.4	7.8	0	0	0	111.7	F129 I130 H131 N136 Q137	F129-N133 VanDerWaalsContact O-CB 3.3Å; F129-N133 WeakPolarHBondContact O-CB 3.31Å; F129-N133 PolarHBondContact O-N 3.19Å; I130-N133 PolarHBondContact O-N 3.23Å; H131-N133 VanDerWaalsContact C-N 3.33Å; H131-N133 PolarHBondContact O-N 2.93Å; N133-N136 PolarHBondContact O-N 3.32Å; N133-Q137 WeakPolarHBondContact O-CB 3.43Å; N133-Q137 WeakPolarHBondContact O-CG 3.44Å; N133-Q137 PolarHBondContact O-N 3.05Å
134	A	59.5	Low	55.2	Low	52 Å²	52	102.7 Å²	102.7	43%	0.43	53%	0.531	S	S	.	.	H	α-helix	trans	-65.9	-40.8	172.8	0	0	0	0	0	111.9	I130 H131 Q137 L138	I130-A134 WeakPolarHBondContact O-CB 3.5Å; I130-A134 PolarHBondContact O-N 2.95Å; H131-A134 PolarHBondContact O-N 3.39Å; A134-Q137 PolarHBondContact O-N 3.33Å; A134-L138 WeakPolarHBondContact O-CB 3.36Å; A134-L138 PolarHBondContact O-N 2.83Å
135	I	62.6	Low	56.2	Low	69 Å²	69	99.6 Å²	99.6	35%	0.354	52%	0.519	S	S	.	.	H	α-helix	trans	-64	-41.8	174.1	-71.5	172.8	0	0	0	111	H131 D132 L138 N139	H131-I135 WeakPolarHBondContact CE1-CD1 3.37Å; H131-I135 WeakPolarHBondContact ND1-CD1 3.47Å; H131-I135 WeakPolarHBondContact O-CG1 3.4Å; H131-I135 PolarHBondContact O-N 3.42Å; D132-I135 PolarHBondContact O-N 3.4Å; I135-L138 PolarHBondContact O-N 3.38Å; I135-N139 VanDerWaalsContact O-CB 3.3Å; I135-N139 WeakPolarHBondContact O-CB 3.34Å; I135-N139 VanDerWaalsContact O-CG 3.29Å; I135-N139 PolarHBondContact O-N 3.47Å; I135-N139 PolarHBondContact O-ND2 3.08Å
136	N	60.9	Low	57.5	Low	90 Å²	90	98.1 Å²	98.1	48%	0.481	52%	0.515	S	S	.	.	H	α-helix	trans	-66.4	-38.8	177.1	-78.1	-31.7	0	0	0	112.6	D132 N133 N139 Q140	D132-N136 WeakPolarHBondContact O-CB 3.42Å; D132-N136 PolarHBondContact O-N 2.96Å; D132-N136 PolarHBondContact O-ND2 3.46Å; N133-N136 PolarHBondContact O-N 3.32Å; N136-N139 PolarHBondContact O-N 3.27Å; N136-Q140 WeakPolarHBondContact O-CB 3.38Å; N136-Q140 WeakPolarHBondContact O-CG 3.43Å; N136-Q140 PolarHBondContact O-N 3.23Å
137	Q	59.1	Low	59.1	Low	115 Å²	115	99.6 Å²	99.6	54%	0.537	52%	0.522	S	S	.	.	H	α-helix	trans	-65.5	-39.7	172.4	-74.4	-179.2	2.7	0	0	111.7	N133 A134 Q140 L141	N133-Q137 WeakPolarHBondContact O-CB 3.43Å; N133-Q137 WeakPolarHBondContact O-CG 3.44Å; N133-Q137 PolarHBondContact O-N 3.05Å; A134-Q137 PolarHBondContact O-N 3.33Å; Q137-Q140 PolarHBondContact O-N 3.25Å; Q137-L141 WeakPolarHBondContact O-CB 3.24Å; Q137-L141 WeakPolarHBondContact O-CG 3.36Å; Q137-L141 PolarHBondContact O-N 2.9Å
138	L	54.8	Low	60.7	Low	114 Å²	114	99.8 Å²	99.8	60%	0.597	52%	0.523	S	S	*	.	H	α-helix	trans	-68	-37.1	176.6	-149.7	119.9	0	0	0	111.6	A134 I135 L141 T142	A134-L138 WeakPolarHBondContact O-CB 3.36Å; A134-L138 PolarHBondContact O-N 2.83Å; I135-L138 PolarHBondContact O-N 3.38Å; L138-L141 PolarHBondContact O-N 3.37Å; L138-T142 WeakPolarHBondContact O-CG2 3.24Å; L138-T142 PolarHBondContact O-N 3.29Å; L138-T142 PolarHBondContact O-OG1 2.85Å
139	N	59.7	Low	62.1	Low	76 Å²	76	103.2 Å²	103.2	41%	0.406	54%	0.537	S	S	.	.	H	α-helix	trans	-70.1	-34.4	174	-77	-20	0	0	0	112.8	I135 N136 T142 N143	I135-N139 VanDerWaalsContact O-CB 3.3Å; I135-N139 WeakPolarHBondContact O-CB 3.34Å; I135-N139 VanDerWaalsContact O-CG 3.29Å; I135-N139 PolarHBondContact O-N 3.47Å; I135-N139 PolarHBondContact O-ND2 3.08Å; N136-N139 PolarHBondContact O-N 3.27Å; N139-T142 VanDerWaalsContact CA-OG1 3.24Å; N139-T142 WeakPolarHBondContact CA-OG1 3.33Å; N139-T142 PolarHBondContact O-OG1 2.85Å; N139-T142 VanDerWaalsContact O-OG1 3.08Å; N139-N143 WeakPolarHBondContact O-CB 3.31Å; N139-N143 VanDerWaalsContact O-CG 3.24Å; N139-N143 PolarHBondContact O-N 3.25Å; N139-N143 PolarHBondContact O-ND2 3Å
140	Q	59.1	Low	64	Low	130 Å²	130	97.8 Å²	97.8	61%	0.607	52%	0.517	S	S	*	.	H	α-helix	trans	-66.2	-46.1	170.2	-81.1	178.7	-8.1	0	0	110.8	N136 Q137 T142 N143 E144	N136-Q140 WeakPolarHBondContact O-CB 3.38Å; N136-Q140 WeakPolarHBondContact O-CG 3.43Å; N136-Q140 PolarHBondContact O-N 3.23Å; Q137-Q140 PolarHBondContact O-N 3.25Å; Q140-T142 PolarHBondContact O-N 2.89Å; Q140-N143 PolarHBondContact O-N 3.42Å; Q140-E144 WeakPolarHBondContact O-CG 3.26Å; Q140-E144 PolarHBondContact O-N 3.35Å
141	L	58.3	Low	65.8	Low	99 Å²	99	97.3 Å²	97.3	52%	0.518	52%	0.521	S	S	.	.	H	α-helix	trans	-62.8	-39.8	176.3	-77.8	162	0	0	0	112.3	Q137 L138 E144 L145	Q137-L141 WeakPolarHBondContact O-CB 3.24Å; Q137-L141 WeakPolarHBondContact O-CG 3.36Å; Q137-L141 PolarHBondContact O-N 2.9Å; L138-L141 PolarHBondContact O-N 3.37Å; L141-E144 PolarHBondContact O-N 2.79Å; L141-L145 WeakPolarHBondContact O-CB 3.38Å; L141-L145 WeakPolarHBondContact O-CD1 3.34Å; L141-L145 VanDerWaalsContact O-CG 3.24Å; L141-L145 WeakPolarHBondContact O-CG 3.3Å; L141-L145 PolarHBondContact O-N 3.03Å
142	T	59	Low	67.5	Low	67 Å²	67	98.8 Å²	98.8	41%	0.411	53%	0.526	S	S	.	.	H	α-helix	trans	-69.5	-34.6	175.5	49.5	0	0	0	0	112.4	L138 N139 Q140 G146	L138-T142 WeakPolarHBondContact O-CG2 3.24Å; L138-T142 PolarHBondContact O-N 3.29Å; L138-T142 PolarHBondContact O-OG1 2.85Å; N139-T142 VanDerWaalsContact CA-OG1 3.24Å; N139-T142 WeakPolarHBondContact CA-OG1 3.33Å; N139-T142 PolarHBondContact O-OG1 2.85Å; N139-T142 VanDerWaalsContact O-OG1 3.08Å; Q140-T142 PolarHBondContact O-N 2.89Å; T142-G146 PolarHBondContact O-N 3.38Å
143	N	61	Low	69.1	Low	118 Å²	118	99 Å²	99	63%	0.631	53%	0.525	S	S	*	.	H	α-helix	trans	-67.6	-38.5	171.5	-77.1	-24.2	0	0	0	112.2	N139 Q140 G146 L147	N139-N143 WeakPolarHBondContact O-CB 3.31Å; N139-N143 VanDerWaalsContact O-CG 3.24Å; N139-N143 PolarHBondContact O-N 3.25Å; N139-N143 PolarHBondContact O-ND2 3Å; Q140-N143 PolarHBondContact O-N 3.42Å; N143-G146 PolarHBondContact O-N 3.47Å; N143-L147 PolarHBondContact O-N 2.93Å
144	E	62.9	Low	70.3	Confident	126 Å²	126	100 Å²	100	59%	0.589	53%	0.525	S	S	*	.	H	α-helix	trans	-67.7	-40.8	173.8	-74.5	-165.5	173.8	0	0	112.5	Q140 L141 G146 L147 L148	Q140-E144 WeakPolarHBondContact O-CG 3.26Å; Q140-E144 PolarHBondContact O-N 3.35Å; L141-E144 PolarHBondContact O-N 2.79Å; E144-G146 VanDerWaalsContact C-N 3.29Å; E144-G146 PolarHBondContact O-N 3.02Å; E144-L147 WeakPolarHBondContact O-CB 3.36Å; E144-L147 PolarHBondContact O-N 3.41Å; E144-L148 PolarHBondContact O-N 3.4Å
145	L	66.7	Low	71.7	Confident	103 Å²	103	101.3 Å²	101.3	54%	0.539	53%	0.525	S	S	.	.	H	α-helix	trans	-63.2	-37.6	172.1	-75.9	159.3	0	0	0	111.1	L141 L147 L148 E149	L141-L145 WeakPolarHBondContact O-CB 3.38Å; L141-L145 WeakPolarHBondContact O-CD1 3.34Å; L141-L145 VanDerWaalsContact O-CG 3.24Å; L141-L145 WeakPolarHBondContact O-CG 3.3Å; L141-L145 PolarHBondContact O-N 3.03Å; L145-L147 VanDerWaalsContact C-N 3.34Å; L145-L147 PolarHBondContact O-N 3.05Å; L145-L148 PolarHBondContact O-N 3.41Å; L145-E149 PolarHBondContact O-N 3.43Å
146	G	75.8	Confident	73.1	Confident	37 Å²	37	101.6 Å²	101.6	38%	0.381	53%	0.527	S	S	.	.	H	α-helix	trans	-62.1	-37.9	174.1	0	0	0	0	0	113.1	T142 N143 E144 L148 E149 T150	T142-G146 PolarHBondContact O-N 3.38Å; N143-G146 PolarHBondContact O-N 3.47Å; E144-G146 VanDerWaalsContact C-N 3.29Å; E144-G146 PolarHBondContact O-N 3.02Å; G146-L148 VanDerWaalsContact C-N 3.34Å; G146-L148 PolarHBondContact O-N 3.31Å; G146-E149 PolarHBondContact O-N 3.41Å; G146-T150 WeakPolarHBondContact O-CG2 3.34Å; G146-T150 PolarHBondContact O-N 3.35Å
147	L	77.6	Confident	74.6	Confident	107 Å²	107	102.5 Å²	102.5	56%	0.56	53%	0.531	S	S	*	.	H	α-helix	trans	-62.8	-38.4	174.7	-79.2	158.8	0	0	0	112.3	N143 E144 L145 E149 T150	N143-L147 PolarHBondContact O-N 2.93Å; E144-L147 WeakPolarHBondContact O-CB 3.36Å; E144-L147 PolarHBondContact O-N 3.41Å; L145-L147 VanDerWaalsContact C-N 3.34Å; L145-L147 PolarHBondContact O-N 3.05Å; L147-E149 VanDerWaalsContact C-N 3.29Å; L147-E149 PolarHBondContact O-N 3.21Å; L147-T150 WeakPolarHBondContact O-CB 3.37Å; L147-T150 WeakPolarHBondContact O-CG2 3.42Å; L147-T150 PolarHBondContact O-N 2.74Å; L147-T150 PolarHBondContact O-OG1 3.47Å
148	L	77.7	Confident	76	Confident	115 Å²	115	99.9 Å²	99.9	60%	0.602	52%	0.521	S	S	*	.	H	α-helix	trans	-67.1	-28.4	178	-66.4	173.4	0	0	0	113	E144 L145 G146 T150 M153	E144-L148 PolarHBondContact O-N 3.4Å; L145-L148 PolarHBondContact O-N 3.41Å; G146-L148 VanDerWaalsContact C-N 3.34Å; G146-L148 PolarHBondContact O-N 3.31Å; L148-T150 VanDerWaalsContact C-N 3.34Å; L148-M153 HydrophobicContact CD2-CE 4.49Å
149	E	82	Confident	77.7	Confident	175 Å²	175	97.8 Å²	97.8	82%	0.818	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-2.2	176.9	-65.9	-169.9	167.7	0	0	113.6	L145 G146 L147	L145-E149 PolarHBondContact O-N 3.43Å; G146-E149 PolarHBondContact O-N 3.41Å; L147-E149 VanDerWaalsContact C-N 3.29Å; L147-E149 PolarHBondContact O-N 3.21Å
150	T	86.7	Confident	79.3	Confident	46 Å²	46	99.8 Å²	99.8	28%	0.282	52%	0.519	S	S	.	.			trans	-64.1	141.5	-178.3	61.1	0	0	0	0	111.9	G146 L147 L148 K152 M153 K154	G146-T150 WeakPolarHBondContact O-CG2 3.34Å; G146-T150 PolarHBondContact O-N 3.35Å; L147-T150 WeakPolarHBondContact O-CB 3.37Å; L147-T150 WeakPolarHBondContact O-CG2 3.42Å; L147-T150 PolarHBondContact O-N 2.74Å; L147-T150 PolarHBondContact O-OG1 3.47Å; L148-T150 VanDerWaalsContact C-N 3.34Å; T150-K152 PolarHBondContact O-N 3.09Å; T150-M153 PolarHBondContact O-N 3.23Å; T150-M153 VanDerWaalsContact OG1-CB 3.29Å; T150-M153 WeakPolarHBondContact OG1-CB 3.39Å; T150-M153 PolarHBondContact OG1-N 3.14Å; T150-K154 PolarHBondContact O-N 3Å
151	P	87.1	Confident	80.8	Confident	106 Å²	106	97.8 Å²	97.8	69%	0.688	51%	0.509	S	S	*	.	H	α-helix	trans	-60.9	-28.9	175.8	24.9	-33.9	0	0	0	112	K154 N155	P151-K154 PolarHBondContact O-N 3.32Å; P151-N155 WeakPolarHBondContact O-CB 3.15Å; P151-N155 PolarHBondContact O-N 2.77Å
152	K	88.7	Confident	82.4	Confident	150 Å²	150	96.3 Å²	96.3	65%	0.652	50%	0.497	S	S	*	.	H	α-helix	trans	-64.4	-49.7	174.9	-171.6	176.3	179.5	178.9	0	111.7	T150 K154 N155 D156	T150-K152 PolarHBondContact O-N 3.09Å; K152-K154 VanDerWaalsContact C-N 3.29Å; K152-K154 PolarHBondContact O-N 3.39Å; K152-N155 WeakPolarHBondContact O-CB 3.38Å; K152-N155 PolarHBondContact O-N 3.38Å; K152-D156 PolarHBondContact O-N 3.28Å
153	M	89.8	Confident	83.9	Confident	85 Å²	85	95.4 Å²	95.4	42%	0.419	50%	0.496	S	S	.	.	H	α-helix	trans	-57.3	-43.3	176	-179.1	62.2	81.6	0	0	111.5	L148 T150 N155 D156 L157	L148-M153 HydrophobicContact CD2-CE 4.49Å; T150-M153 PolarHBondContact O-N 3.23Å; T150-M153 VanDerWaalsContact OG1-CB 3.29Å; T150-M153 WeakPolarHBondContact OG1-CB 3.39Å; T150-M153 PolarHBondContact OG1-N 3.14Å; M153-N155 VanDerWaalsContact C-N 3.34Å; M153-N155 PolarHBondContact O-N 2.79Å; M153-D156 PolarHBondContact O-N 3.31Å; M153-L157 WeakPolarHBondContact O-CB 3.23Å; M153-L157 PolarHBondContact O-N 3.47Å
154	K	87.7	Confident	85.4	Confident	121 Å²	121	95.2 Å²	95.2	53%	0.526	49%	0.494	S	S	.	.	H	α-helix	trans	-60.7	-41.5	175.6	-174.7	176.9	-179.4	177.9	0	112.4	T150 P151 K152 N158	T150-K154 PolarHBondContact O-N 3Å; P151-K154 PolarHBondContact O-N 3.32Å; K152-K154 VanDerWaalsContact C-N 3.29Å; K152-K154 PolarHBondContact O-N 3.39Å; K154-N158 PolarHBondContact O-N 2.76Å; K154-N158 VanDerWaalsContact O-N 3.1Å; K154-N158 PolarHBondContact O-ND2 3.43Å
155	N	88.8	Confident	86.7	Confident	78 Å²	78	89.5 Å²	89.5	42%	0.417	47%	0.468	S	S	.	.	H	α-helix	trans	-66.1	-43.1	177.3	-176.1	61.7	0	0	0	112	P151 K152 M153 L157 N158 N159	P151-N155 WeakPolarHBondContact O-CB 3.15Å; P151-N155 PolarHBondContact O-N 2.77Å; K152-N155 WeakPolarHBondContact O-CB 3.38Å; K152-N155 PolarHBondContact O-N 3.38Å; M153-N155 VanDerWaalsContact C-N 3.34Å; M153-N155 PolarHBondContact O-N 2.79Å; N155-L157 VanDerWaalsContact C-N 3.34Å; N155-N158 PolarHBondContact O-N 3.21Å; N155-N159 PolarHBondContact ND2-ND2 2.94Å; N155-N159 PolarHBondContact O-N 2.82Å; N155-N159 PolarHBondContact O-ND2 2.92Å
156	D	92.1	Very high	87.7	Confident	75 Å²	75	87.6 Å²	87.6	40%	0.401	46%	0.458	S	S	.	.	H	α-helix	trans	-65.3	-39.1	178.6	-66.9	-19	0	0	0	111.3	K152 M153 N159 M160	K152-D156 PolarHBondContact O-N 3.28Å; M153-D156 PolarHBondContact O-N 3.31Å; D156-N159 PolarHBondContact O-N 3.29Å; D156-M160 PolarHBondContact O-N 3.07Å
157	L	91.5	Very high	88.4	Confident	110 Å²	110	91 Å²	91	58%	0.576	47%	0.467	S	S	*	.	H	α-helix	trans	-61.9	-45	173.5	-172.8	65.3	0	0	0	112	M153 N155 N159 M160 E161	M153-L157 WeakPolarHBondContact O-CB 3.23Å; M153-L157 PolarHBondContact O-N 3.47Å; N155-L157 VanDerWaalsContact C-N 3.34Å; L157-N159 VanDerWaalsContact C-N 3.3Å; L157-N159 PolarHBondContact O-N 2.99Å; L157-M160 WeakPolarHBondContact O-CB 3.5Å; L157-M160 PolarHBondContact O-N 3.03Å; L157-E161 PolarHBondContact O-N 2.96Å
158	N	88.6	Confident	89	Confident	60 Å²	60	91.5 Å²	91.5	32%	0.321	47%	0.47	S	S	.	.	H	α-helix	trans	-62.3	-37.5	176	-67	-24.2	0	0	0	112.1	K154 N155 E161 R162	K154-N158 PolarHBondContact O-N 2.76Å; K154-N158 VanDerWaalsContact O-N 3.1Å; K154-N158 PolarHBondContact O-ND2 3.43Å; N155-N158 PolarHBondContact O-N 3.21Å; N158-E161 PolarHBondContact O-N 2.92Å; N158-R162 WeakPolarHBondContact O-CG 3.44Å; N158-R162 PolarHBondContact O-N 3.33Å; N158-R162 VanDerWaalsContact O-N 3.11Å
159	N	90.7	Very high	89.4	Confident	70 Å²	70	88.6 Å²	88.6	37%	0.374	45%	0.451	S	S	.	.	H	α-helix	trans	-68.4	-38.4	176.4	-71.4	-30.4	0	0	0	111.6	N155 D156 L157 R162 A163	N155-N159 PolarHBondContact ND2-ND2 2.94Å; N155-N159 PolarHBondContact O-N 2.82Å; N155-N159 PolarHBondContact O-ND2 2.92Å; D156-N159 PolarHBondContact O-N 3.29Å; L157-N159 VanDerWaalsContact C-N 3.3Å; L157-N159 PolarHBondContact O-N 2.99Å; N159-R162 PolarHBondContact O-N 3.42Å; N159-R162 PolarHBondContact OD1-NH1 3.16Å; N159-A163 PolarHBondContact O-N 2.94Å
160	M	93	Very high	89.7	Confident	118 Å²	118	88.4 Å²	88.4	58%	0.581	44%	0.443	S	S	*	.	H	α-helix	trans	-63.5	-43.7	174.1	-171.6	180	-62.7	0	0	111.6	D156 L157 R162 A163 L164	D156-M160 PolarHBondContact O-N 3.07Å; L157-M160 WeakPolarHBondContact O-CB 3.5Å; L157-M160 PolarHBondContact O-N 3.03Å; M160-R162 PolarHBondContact O-N 3.16Å; M160-A163 WeakPolarHBondContact O-CB 3.42Å; M160-A163 PolarHBondContact O-N 2.9Å; M160-A163 VanDerWaalsContact O-N 3.16Å; M160-L164 HydrophobicContact CG-CD1 4.5Å; M160-L164 WeakPolarHBondContact O-CG 3.37Å; M160-L164 PolarHBondContact O-N 3.47Å
161	E	92.1	Very high	89.7	Confident	88 Å²	88	92.4 Å²	92.4	41%	0.411	46%	0.462	S	S	.	.	H	α-helix	trans	-59.6	-46.1	176.7	-173.1	-178.1	-166.3	0	0	111.9	L157 N158 A163 L164 N165 L329	L157-E161 PolarHBondContact O-N 2.96Å; N158-E161 PolarHBondContact O-N 2.92Å; E161-A163 VanDerWaalsContact C-N 3.32Å; E161-A163 PolarHBondContact O-N 3.47Å; E161-L164 PolarHBondContact O-N 3.11Å; E161-N165 PolarHBondContact O-N 3.49Å; E161-L329 HydrophobicContact CG-CD1 3.97Å
162	R	90.7	Very high	89.5	Confident	68 Å²	68	91.4 Å²	91.4	26%	0.257	45%	0.447	S	S	.	.	H	α-helix	trans	-58.9	-42.9	173.7	-73	167.2	168.8	162.4	-3.4	112	N158 N159 M160 L164 N165 I166 K328 L329 E334	N158-R162 WeakPolarHBondContact O-CG 3.44Å; N158-R162 PolarHBondContact O-N 3.33Å; N158-R162 VanDerWaalsContact O-N 3.11Å; N159-R162 PolarHBondContact O-N 3.42Å; N159-R162 PolarHBondContact OD1-NH1 3.16Å; M160-R162 PolarHBondContact O-N 3.16Å; R162-L164 VanDerWaalsContact C-N 3.34Å; R162-L164 PolarHBondContact O-N 3.01Å; R162-N165 PolarHBondContact O-N 2.91Å; R162-I166 VanDerWaalsContact O-CG1 3.28Å; R162-I166 WeakPolarHBondContact O-CG1 3.37Å; R162-I166 PolarHBondContact O-N 3.21Å; R162-K328 HydrophobicContact CG-CB 4.45Å; R162-L329 HydrophobicContact CG-CB 4.5Å; R162-E334 IonicContact CZ-OE1 3.96Å; R162-E334 IonicContact NE-OE1 2.9Å; R162-E334 PolarHBondContact NE-OE1 3.49Å; R162-E334 IonicContact NH2-OE1 3.04Å; R162-E334 PolarHBondContact NH2-OE1 2.93Å; R162-E334 IonicContact NH2-OE2 3.43Å; R162-E334 PolarHBondContact NH2-OE2 3.44Å
163	A	91.8	Very high	89.2	Confident	47 Å²	47	85.9 Å²	85.9	39%	0.388	43%	0.425	S	S	.	.	H	α-helix	trans	-63.5	-39.9	178.1	0	0	0	0	0	112	N159 M160 E161 N167	N159-A163 PolarHBondContact O-N 2.94Å; M160-A163 WeakPolarHBondContact O-CB 3.42Å; M160-A163 PolarHBondContact O-N 2.9Å; M160-A163 VanDerWaalsContact O-N 3.16Å; E161-A163 VanDerWaalsContact C-N 3.32Å; E161-A163 PolarHBondContact O-N 3.47Å; A163-N167 PolarHBondContact O-N 3.27Å; A163-N167 VanDerWaalsContact O-N 3.15Å; A163-N167 PolarHBondContact O-ND2 3.3Å; A163-N167 VanDerWaalsContact O-ND2 3.11Å
164	L	92.2	Very high	88.8	Confident	114 Å²	114	88.6 Å²	88.6	60%	0.597	43%	0.434	S	S	*	.	H	α-helix	trans	-64.2	-45	174.1	-69.5	172.5	0	0	0	111.7	M160 E161 R162 I166 N167 L168	M160-L164 HydrophobicContact CG-CD1 4.5Å; M160-L164 WeakPolarHBondContact O-CG 3.37Å; M160-L164 PolarHBondContact O-N 3.47Å; E161-L164 PolarHBondContact O-N 3.11Å; R162-L164 VanDerWaalsContact C-N 3.34Å; R162-L164 PolarHBondContact O-N 3.01Å; L164-I166 PolarHBondContact O-N 2.93Å; L164-N167 PolarHBondContact O-N 3Å; L164-L168 PolarHBondContact O-N 3.26Å
165	N	89.3	Confident	88.5	Confident	7 Å²	7	88.6 Å²	88.6	4%	0.037	43%	0.434	C	S	.	.	H	α-helix	trans	-63.2	-43.9	179.9	-159.1	-81.8	0	0	0	111.7	E161 R162 N167 L168 Y169 L329 I330	E161-N165 PolarHBondContact O-N 3.49Å; R162-N165 PolarHBondContact O-N 2.91Å; N165-N167 VanDerWaalsContact C-N 3.29Å; N165-N167 PolarHBondContact O-N 3.4Å; N165-L168 PolarHBondContact O-N 3.5Å; N165-Y169 VanDerWaalsContact O-CD2 3.26Å; N165-Y169 WeakPolarHBondContact O-CD2 3.48Å; N165-Y169 PolarHBondContact O-N 2.89Å; N165-Y169 VanDerWaalsContact OD1-CD2 3.31Å; N165-Y169 WeakPolarHBondContact OD1-CD2 3.23Å; N165-L329 HydrophobicContact CB-CD1 4.2Å; N165-I330 PolarHBondContact OD1-N 2.79Å; N165-I330 VanDerWaalsContact OD1-N 3.12Å
166	I	87.7	Confident	87.9	Confident	63 Å²	63	85.7 Å²	85.7	32%	0.323	42%	0.418	S	S	.	.	H	α-helix	trans	-59	-41.2	174.7	-70.4	166.4	0	0	0	111.3	R162 L164 Y169 R170 L173 K328	R162-I166 VanDerWaalsContact O-CG1 3.28Å; R162-I166 WeakPolarHBondContact O-CG1 3.37Å; R162-I166 PolarHBondContact O-N 3.21Å; L164-I166 PolarHBondContact O-N 2.93Å; I166-Y169 CarbonylContact O-C 3.56Å; I166-R170 WeakPolarHBondContact O-CA 3.21Å; I166-R170 PolarHBondContact O-N 3.29Å; I166-L173 HydrophobicContact CG2-CD2 3.93Å; I166-K328 HydrophobicContact CD1-CB 4.41Å; I166-K328 HydrophobicContact CD1-CG 4.47Å
167	N	90.3	Very high	87.1	Confident	109 Å²	109	86.4 Å²	86.4	58%	0.583	42%	0.419	S	S	*	.	H	α-helix	trans	-67.3	-38.6	177.5	-77.6	-37	0	0	0	112.2	A163 L164 N165 R170	A163-N167 PolarHBondContact O-N 3.27Å; A163-N167 VanDerWaalsContact O-N 3.15Å; A163-N167 PolarHBondContact O-ND2 3.3Å; A163-N167 VanDerWaalsContact O-ND2 3.11Å; L164-N167 PolarHBondContact O-N 3Å; N165-N167 VanDerWaalsContact C-N 3.29Å; N165-N167 PolarHBondContact O-N 3.4Å; N167-R170 WeakPolarHBondContact O-CB 3.28Å; N167-R170 PolarHBondContact O-N 3.23Å
168	L	90.2	Very high	86.2	Confident	116 Å²	116	82.9 Å²	82.9	61%	0.607	40%	0.404	S	S	*	.	H	α-helix	trans	-64.6	-40.1	177.4	-174.6	63.8	0	0	0	112.1	L164 N165 E331	L164-L168 PolarHBondContact O-N 3.26Å; N165-L168 PolarHBondContact O-N 3.5Å; L168-E331 WeakPolarHBondContact CD2-OE1 2.81Å
169	Y	86.8	Confident	85.1	Confident	55 Å²	55	81 Å²	81	22%	0.216	39%	0.393	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.4	19	-178.3	-61.1	-75.4	0	0	0	113.8	N165 I166 D171 K172 L173 I330 E331	N165-Y169 VanDerWaalsContact O-CD2 3.26Å; N165-Y169 WeakPolarHBondContact O-CD2 3.48Å; N165-Y169 PolarHBondContact O-N 2.89Å; N165-Y169 VanDerWaalsContact OD1-CD2 3.31Å; N165-Y169 WeakPolarHBondContact OD1-CD2 3.23Å; I166-Y169 CarbonylContact O-C 3.56Å; Y169-D171 VanDerWaalsContact C-N 3.31Å; Y169-D171 PolarHBondContact O-N 3.22Å; Y169-K172 HydrophobicContact CD1-CD 4.18Å; Y169-K172 PolarHBondContact O-N 3.1Å; Y169-K172 VanDerWaalsContact O-N 3.07Å; Y169-L173 PolarHBondContact O-N 2.91Å; Y169-I330 HydrophobicContact CD1-CD1 4.25Å; Y169-I330 HydrophobicContact CD2-CB 4.32Å; Y169-I330 HydrophobicContact CD2-CD1 3.35Å; Y169-I330 HydrophobicContact CD2-CG1 4.43Å; Y169-I330 HydrophobicContact CE2-CB 4.11Å; Y169-I330 HydrophobicContact CE2-CD1 4Å; Y169-I330 HydrophobicContact CE2-CG2 4.46Å; Y169-I330 HydrophobicContact CG-CD1 3.52Å; Y169-E331 HydrophobicContact CE2-CG 4.27Å; Y169-E331 PolarHBondContact OH-OE1 2.94Å
170	R	87.1	Confident	83.7	Confident	171 Å²	171	80 Å²	80	65%	0.645	39%	0.387	S	S	*	.	H	α-helix	trans	-53.3	-43.7	-173	-175.7	178.9	179.5	-175.6	0.4	113.3	I166 N167 K172 L173 F174	I166-R170 WeakPolarHBondContact O-CA 3.21Å; I166-R170 PolarHBondContact O-N 3.29Å; N167-R170 WeakPolarHBondContact O-CB 3.28Å; N167-R170 PolarHBondContact O-N 3.23Å; R170-K172 PolarHBondContact O-N 2.97Å; R170-L173 PolarHBondContact O-N 2.96Å; R170-F174 WeakPolarHBondContact O-CB 3.38Å; R170-F174 PolarHBondContact O-N 3.35Å
171	D	87.2	Confident	81.8	Confident	129 Å²	129	79.4 Å²	79.4	69%	0.69	39%	0.386	S	S	*	.	H	α-helix	trans	-65.4	-38.9	-178.8	-69.1	-14.3	0	0	0	112.4	Y169 K175	Y169-D171 VanDerWaalsContact C-N 3.31Å; Y169-D171 PolarHBondContact O-N 3.22Å; D171-K175 WeakPolarHBondContact O-CG 3.38Å; D171-K175 PolarHBondContact O-N 3.34Å
172	K	83.8	Confident	79.8	Confident	86 Å²	86	80.7 Å²	80.7	37%	0.374	39%	0.39	S	S	.	.	H	α-helix	trans	-70.5	-41.6	176.7	-72.1	175.6	166.3	-160.8	0	111	Y169 R170 F174 K175 Y176 L279	Y169-K172 HydrophobicContact CD1-CD 4.18Å; Y169-K172 PolarHBondContact O-N 3.1Å; Y169-K172 VanDerWaalsContact O-N 3.07Å; R170-K172 PolarHBondContact O-N 2.97Å; K172-F174 VanDerWaalsContact C-N 3.34Å; K172-K175 WeakPolarHBondContact O-CB 3.33Å; K172-K175 PolarHBondContact O-N 3.49Å; K172-Y176 PolarHBondContact O-N 3.18Å; K172-L279 WeakPolarHBondContact CD-O 3.31Å; K172-L279 VanDerWaalsContact CE-O 3.23Å; K172-L279 WeakPolarHBondContact CE-O 3.26Å; K172-L279 PolarHBondContact NZ-O 3.01Å
173	L	81.4	Confident	77.5	Confident	34 Å²	34	80 Å²	80	18%	0.178	39%	0.39	C	S	.	.	H	α-helix	trans	-62.8	-41.3	174.2	-175.4	65.7	0	0	0	111.4	I166 Y169 R170 Y176 Q177 W280	I166-L173 HydrophobicContact CG2-CD2 3.93Å; Y169-L173 PolarHBondContact O-N 2.91Å; R170-L173 PolarHBondContact O-N 2.96Å; L173-Y176 HydrophobicContact CD1-CD1 4.37Å; L173-Y176 WeakPolarHBondContact O-CB 3.31Å; L173-Y176 PolarHBondContact O-N 3.24Å; L173-Q177 HydrophobicContact CD1-CG 4.43Å; L173-Q177 HydrophobicContact CG-CG 4.45Å; L173-Q177 WeakPolarHBondContact O-CB 3.44Å; L173-Q177 WeakPolarHBondContact O-CG 3.29Å; L173-Q177 PolarHBondContact O-N 3.07Å; L173-W280 HydrophobicContact CB-CZ2 4.28Å; L173-W280 HydrophobicContact CD1-CH2 4.21Å; L173-W280 HydrophobicContact CD1-CZ2 4.05Å
174	F	83	Confident	74.9	Confident	141 Å²	141	85.7 Å²	85.7	62%	0.618	40%	0.403	S	S	*	.	H	α-helix	trans	-63.9	-41.7	175.4	-173.9	-96.3	0	0	0	111.4	R170 K172 Q177 S178	R170-F174 WeakPolarHBondContact O-CB 3.38Å; R170-F174 PolarHBondContact O-N 3.35Å; K172-F174 VanDerWaalsContact C-N 3.34Å; F174-Q177 PolarHBondContact O-N 3.32Å; F174-S178 WeakPolarHBondContact O-CB 3.39Å; F174-S178 PolarHBondContact O-N 2.91Å; F174-S178 PolarHBondContact O-OG 3.23Å
175	K	80.5	Confident	72.2	Confident	121 Å²	121	87 Å²	87	53%	0.526	41%	0.406	S	S	.	.	H	α-helix	trans	-58.2	-50.1	172.1	-74.7	175	-176.8	179.7	0	111.1	D171 K172 Q177 S178 L179	D171-K175 WeakPolarHBondContact O-CG 3.38Å; D171-K175 PolarHBondContact O-N 3.34Å; K172-K175 WeakPolarHBondContact O-CB 3.33Å; K172-K175 PolarHBondContact O-N 3.49Å; K175-Q177 PolarHBondContact O-N 3.19Å; K175-S178 PolarHBondContact O-N 3.43Å; K175-S178 PolarHBondContact O-OG 3.43Å; K175-L179 WeakPolarHBondContact O-CD1 3.39Å; K175-L179 VanDerWaalsContact O-CG 3.23Å; K175-L179 WeakPolarHBondContact O-CG 3.25Å; K175-L179 PolarHBondContact O-N 2.75Å
176	Y	76.7	Confident	70.1	Confident	17 Å²	17	89.9 Å²	89.9	7%	0.067	43%	0.427	C	S	.	.	H	α-helix	trans	-57.1	-48.5	177.1	177.9	-110.1	0	0	0	112.8	K172 L173 L179 L180 L279 W280 L327 V614 L616	K172-Y176 PolarHBondContact O-N 3.18Å; L173-Y176 HydrophobicContact CD1-CD1 4.37Å; L173-Y176 WeakPolarHBondContact O-CB 3.31Å; L173-Y176 PolarHBondContact O-N 3.24Å; Y176-L179 WeakPolarHBondContact O-CB 3.44Å; Y176-L179 PolarHBondContact O-N 3.33Å; Y176-L180 HydrophobicContact CD1-CD1 3.7Å; Y176-L180 HydrophobicContact CE1-CD1 3.34Å; Y176-L180 HydrophobicContact CE2-CD1 4.28Å; Y176-L180 HydrophobicContact CG-CD1 4.32Å; Y176-L180 PolarHBondContact O-N 3.25Å; Y176-L279 HydrophobicContact CD2-CD1 3.62Å; Y176-L279 HydrophobicContact CG-CD1 4.3Å; Y176-W280 AromaticContact CD1-CH2 3.66Å; Y176-W280 HydrophobicContact CD1-CH2 3.66Å; Y176-W280 HydrophobicContact CD1-CZ3 4.19Å; Y176-W280 HydrophobicContact CD2-CH2 4.04Å; Y176-W280 AromaticContact CD2-CZ3 3.88Å; Y176-W280 HydrophobicContact CD2-CZ3 3.88Å; Y176-W280 HydrophobicContact CE1-CH2 4.34Å; Y176-W280 HydrophobicContact CE2-CZ3 4.31Å; Y176-W280 AromaticContact CG-CH2 3.47Å; Y176-W280 HydrophobicContact CG-CH2 3.47Å; Y176-W280 VanDerWaalsContact CG-CH2 3.47Å; Y176-W280 AromaticContact CG-CZ3 3.81Å; Y176-W280 HydrophobicContact CG-CZ3 3.81Å; Y176-L327 HydrophobicContact CE1-CD1 4.02Å; Y176-V614 HydrophobicContact CD2-CG1 4.22Å; Y176-V614 HydrophobicContact CE2-CG1 4.44Å; Y176-L616 HydrophobicContact CE2-CD1 4.4Å; Y176-L616 HydrophobicContact CE2-CD2 4.34Å; Y176-L616 HydrophobicContact CE2-CG 4.44Å
177	Q	74.6	Confident	67.9	Low	90 Å²	90	91.8 Å²	91.8	42%	0.421	44%	0.437	S	S	.	.	H	α-helix	trans	-68.3	-37.5	178.1	-72.8	179.2	-13.2	0	0	112.7	L173 F174 K175 L179 L180 L181	L173-Q177 HydrophobicContact CD1-CG 4.43Å; L173-Q177 HydrophobicContact CG-CG 4.45Å; L173-Q177 WeakPolarHBondContact O-CB 3.44Å; L173-Q177 WeakPolarHBondContact O-CG 3.29Å; L173-Q177 PolarHBondContact O-N 3.07Å; F174-Q177 PolarHBondContact O-N 3.32Å; K175-Q177 PolarHBondContact O-N 3.19Å; Q177-L179 PolarHBondContact O-N 3.3Å; Q177-L180 CarbonylContact O-C 3.58Å; Q177-L180 WeakPolarHBondContact O-CB 3.4Å; Q177-L180 PolarHBondContact O-N 3.49Å; Q177-L180 VanDerWaalsContact O-N 3.17Å; Q177-L181 WeakPolarHBondContact O-CB 3.46Å; Q177-L181 WeakPolarHBondContact O-CG 3.43Å; Q177-L181 PolarHBondContact O-N 3.47Å
178	S	71.6	Confident	65.2	Low	37 Å²	37	92.6 Å²	92.6	26%	0.259	44%	0.439	S	S	.	.	H	α-helix	trans	-65.6	-30.8	176.7	74.9	0	0	0	0	111.9	F174 K175 K182	F174-S178 WeakPolarHBondContact O-CB 3.39Å; F174-S178 PolarHBondContact O-N 2.91Å; F174-S178 PolarHBondContact O-OG 3.23Å; K175-S178 PolarHBondContact O-N 3.43Å; K175-S178 PolarHBondContact O-OG 3.43Å; S178-K182 WeakPolarHBondContact O-CG 3.35Å; S178-K182 PolarHBondContact O-N 3.07Å
179	L	66.1	Low	63	Low	20 Å²	20	93.5 Å²	93.5	11%	0.105	45%	0.445	C	S	.	.	H	α-helix	trans	-67.6	-54.6	170.1	-66.9	159	0	0	0	108.2	K175 Y176 Q177 L181 K182 Q607 I609 V614	K175-L179 WeakPolarHBondContact O-CD1 3.39Å; K175-L179 VanDerWaalsContact O-CG 3.23Å; K175-L179 WeakPolarHBondContact O-CG 3.25Å; K175-L179 PolarHBondContact O-N 2.75Å; Y176-L179 WeakPolarHBondContact O-CB 3.44Å; Y176-L179 PolarHBondContact O-N 3.33Å; Q177-L179 PolarHBondContact O-N 3.3Å; L179-L181 VanDerWaalsContact C-N 3.27Å; L179-L181 PolarHBondContact O-N 2.88Å; L179-L181 VanDerWaalsContact O-N 3.14Å; L179-K182 PolarHBondContact O-N 3.36Å; L179-Q607 PolarHBondContact O-OE1 2.71Å; L179-I609 HydrophobicContact CB-CD1 3.7Å; L179-I609 HydrophobicContact CD2-CD1 4.03Å; L179-I609 WeakPolarHBondContact O-CD1 3Å; L179-V614 HydrophobicContact CB-CG2 3.73Å; L179-V614 HydrophobicContact CD1-CG1 4.05Å; L179-V614 HydrophobicContact CD1-CG2 3.81Å; L179-V614 HydrophobicContact CD2-CG2 4.06Å; L179-V614 HydrophobicContact CG-CG2 4.06Å
180	L	61.9	Low	61.1	Low	48 Å²	48	95.3 Å²	95.3	25%	0.251	47%	0.465	S	S	.	.	H	α-helix	trans	-51.5	-40.2	176.4	-74.5	160.6	0	0	0	114.5	Y176 Q177 E183 Q607	Y176-L180 HydrophobicContact CD1-CD1 3.7Å; Y176-L180 HydrophobicContact CE1-CD1 3.34Å; Y176-L180 HydrophobicContact CE2-CD1 4.28Å; Y176-L180 HydrophobicContact CG-CD1 4.32Å; Y176-L180 PolarHBondContact O-N 3.25Å; Q177-L180 CarbonylContact O-C 3.58Å; Q177-L180 WeakPolarHBondContact O-CB 3.4Å; Q177-L180 PolarHBondContact O-N 3.49Å; Q177-L180 VanDerWaalsContact O-N 3.17Å; L180-E183 VanDerWaalsContact O-CB 3.32Å; L180-E183 WeakPolarHBondContact O-CB 3.32Å; L180-Q607 VanDerWaalsContact CA-OE1 3.24Å; L180-Q607 PolarHBondContact O-NE2 3.33Å; L180-Q607 PolarHBondContact O-OE1 2.91Å
181	L	51.9	Low	58.9	Low	107 Å²	107	89.9 Å²	89.9	56%	0.56	46%	0.463	S	S	*	.	H	α-helix	trans	-79.1	-22.8	-174	-80.3	161.3	0	0	0	114.5	Q177 L179 E183 Y184	Q177-L181 WeakPolarHBondContact O-CB 3.46Å; Q177-L181 WeakPolarHBondContact O-CG 3.43Å; Q177-L181 PolarHBondContact O-N 3.47Å; L179-L181 VanDerWaalsContact C-N 3.27Å; L179-L181 PolarHBondContact O-N 2.88Å; L179-L181 VanDerWaalsContact O-N 3.14Å; L181-E183 PolarHBondContact O-N 3.16Å; L181-Y184 PolarHBondContact O-N 3.26Å; L181-Y184 VanDerWaalsContact O-N 3.09Å
182	K	51.1	Low	56.4	Low	114 Å²	114	90 Å²	90	50%	0.496	46%	0.462	S	S	.	.	H	α-helix	trans	-60.1	-17.1	176.6	-83.9	177	179.1	-177.6	0	112.8	S178 L179 Y184 Q185 S186 I609	S178-K182 WeakPolarHBondContact O-CG 3.35Å; S178-K182 PolarHBondContact O-N 3.07Å; L179-K182 PolarHBondContact O-N 3.36Å; K182-Y184 VanDerWaalsContact C-N 3.28Å; K182-Y184 PolarHBondContact O-N 3.27Å; K182-Q185 PolarHBondContact O-N 2.81Å; K182-S186 PolarHBondContact O-N 3.25Å; K182-I609 HydrophobicContact CB-CG2 4.19Å; K182-I609 HydrophobicContact CD-CG2 4.36Å
183	E	43	Very low	53.9	Low	53 Å²	53	91.3 Å²	91.3	25%	0.248	48%	0.482	C	S	.	.	H	α-helix	trans	-58.4	-30.2	172.6	-156.7	177.8	-144.7	0	0	113.8	L180 L181 N187 R560 Q607	L180-E183 VanDerWaalsContact O-CB 3.32Å; L180-E183 WeakPolarHBondContact O-CB 3.32Å; L181-E183 PolarHBondContact O-N 3.16Å; E183-N187 PolarHBondContact O-ND2 3.36Å; E183-N187 VanDerWaalsContact O-ND2 3.16Å; E183-R560 IonicContact OE1-CZ 2.99Å; E183-R560 IonicContact OE1-NH1 3.18Å; E183-R560 PolarHBondContact OE1-NH1 3.42Å; E183-R560 IonicContact OE1-NH2 3.64Å; E183-Q607 PolarHBondContact OE1-NE2 3.19Å; E183-Q607 PolarHBondContact OE2-NE2 2.88Å
184	Y	36.3	Very low	51.4	Low	167 Å²	167	98.1 Å²	98.1	66%	0.655	52%	0.515	S	S	*	.	H	α-helix	trans	-80.4	-28.9	-178.4	-81.5	-84.4	0	0	0	113.7	L181 K182 M188	L181-Y184 PolarHBondContact O-N 3.26Å; L181-Y184 VanDerWaalsContact O-N 3.09Å; K182-Y184 VanDerWaalsContact C-N 3.28Å; K182-Y184 PolarHBondContact O-N 3.27Å; Y184-M188 WeakPolarHBondContact O-CG 2.91Å; Y184-M188 PolarHBondContact O-N 3.27Å
185	Q	36.8	Very low	48.7	Very low	143 Å²	143	101.5 Å²	101.5	67%	0.668	53%	0.529	S	S	*	.	H	α-helix	trans	-81.8	-40.8	-177.6	-72.2	179.5	-18.2	0	0	111.6	K182 N187 M188 D189	K182-Q185 PolarHBondContact O-N 2.81Å; Q185-N187 VanDerWaalsContact C-N 3.33Å; Q185-N187 PolarHBondContact O-N 3.28Å; Q185-M188 PolarHBondContact O-N 3.03Å; Q185-D189 PolarHBondContact O-N 2.92Å
186	S	43.5	Very low	46.4	Very low	67 Å²	67	101.4 Å²	101.4	47%	0.469	54%	0.541	S	S	.	.	H	α-helix	trans	-65.4	-36.3	177.7	59.1	0	0	0	0	112.7	K182 D189 S190	K182-S186 PolarHBondContact O-N 3.25Å; S186-D189 PolarHBondContact O-N 2.66Å; S186-S190 PolarHBondContact O-N 3.02Å; S186-S190 PolarHBondContact O-OG 3.27Å; S186-S190 VanDerWaalsContact O-OG 3.07Å
187	N	41.6	Very low	43.9	Very low	103 Å²	103	106 Å²	106	55%	0.551	58%	0.576	S	S	*	*	H	α-helix	trans	-72.7	-29.4	178.9	-72.9	-19	0	0	0	112.9	E183 Q185 S190 G191	E183-N187 PolarHBondContact O-ND2 3.36Å; E183-N187 VanDerWaalsContact O-ND2 3.16Å; Q185-N187 VanDerWaalsContact C-N 3.33Å; Q185-N187 PolarHBondContact O-N 3.28Å; N187-S190 PolarHBondContact O-OG 3.01Å; N187-G191 PolarHBondContact O-N 2.82Å
188	M	35.3	Very low	41.9	Very low	125 Å²	125	107.6 Å²	107.6	62%	0.616	59%	0.594	S	S	*	*	H	α-helix	trans	-70.4	-43.8	170.7	-77.4	-74	-177.1	0	0	111.1	Y184 Q185 S190 G191 I192	Y184-M188 WeakPolarHBondContact O-CG 2.91Å; Y184-M188 PolarHBondContact O-N 3.27Å; Q185-M188 PolarHBondContact O-N 3.03Å; M188-S190 VanDerWaalsContact C-N 3.33Å; M188-S190 PolarHBondContact O-N 3.17Å; M188-G191 PolarHBondContact O-N 3.21Å; M188-I192 WeakPolarHBondContact O-CD1 3.38Å; M188-I192 VanDerWaalsContact O-CG1 3.26Å; M188-I192 WeakPolarHBondContact O-CG1 3.45Å; M188-I192 PolarHBondContact O-N 3.27Å
189	D	42.7	Very low	39.9	Very low	136 Å²	136	114.6 Å²	114.6	73%	0.727	62%	0.622	S	S	*	*	H	α-helix	trans	-69.6	-28.5	-179.1	-72	-20.3	0	0	0	113	Q185 S186	Q185-D189 PolarHBondContact O-N 2.92Å; S186-D189 PolarHBondContact O-N 2.66Å
190	S	47.8	Very low	38.2	Very low	93 Å²	93	122.1 Å²	122.1	65%	0.65	66%	0.659	S	S	*	*	H	α-helix	trans	-82.9	-15.3	173.3	60.4	0	0	0	0	114.5	S186 N187 M188	S186-S190 PolarHBondContact O-N 3.02Å; S186-S190 PolarHBondContact O-OG 3.27Å; S186-S190 VanDerWaalsContact O-OG 3.07Å; N187-S190 PolarHBondContact O-OG 3.01Å; M188-S190 VanDerWaalsContact C-N 3.33Å; M188-S190 PolarHBondContact O-N 3.17Å
191	G	39.6	Very low	36.5	Very low	57 Å²	57	125.1 Å²	125.1	59%	0.588	68%	0.684	S	S	*	*	H	α-helix	trans	-94.6	-13.8	-177.7	0	0	0	0	0	115.1	N187 M188 S193	N187-G191 PolarHBondContact O-N 2.82Å; M188-G191 PolarHBondContact O-N 3.21Å; G191-S193 PolarHBondContact O-N 3.06Å
192	I	36.2	Very low	35.5	Very low	132 Å²	132	129.4 Å²	129.4	68%	0.677	70%	0.701	S	S	*	*			trans	-100.9	65.9	-175.5	-54.7	161.7	0	0	0	109.6	M188	M188-I192 WeakPolarHBondContact O-CD1 3.38Å; M188-I192 VanDerWaalsContact O-CG1 3.26Å; M188-I192 WeakPolarHBondContact O-CG1 3.45Å; M188-I192 PolarHBondContact O-N 3.27Å
193	S	29.7	Very low	34.3	Very low	112 Å²	112	129.5 Å²	129.5	78%	0.783	71%	0.711	S	S	*	*			trans	-143.4	47.5	162.4	-177.8	0	0	0	0	111.2	G191	G191-S193 PolarHBondContact O-N 3.06Å
194	M	29.9	Very low	33.6	Very low	178 Å²	178	137 Å²	137	88%	0.877	74%	0.744	S	S	*	*			trans	-123.1	107	157.4	-71.8	-156.6	130.4	0	0	108.1	P196	M194-P196 VanDerWaalsContact O-CD 3.28Å; M194-P196 WeakPolarHBondContact O-CD 3.39Å
195	K	25.8	Very low	33.3	Very low	211 Å²	211	134.8 Å²	134.8	92%	0.917	75%	0.748	S	S	*	*	P	Polyproline II helix	trans	-60.9	121	168.9	-84.9	179.2	173.3	176.8	0	108.6
196	P	31.8	Very low	32.7	Very low	120 Å²	120	135.6 Å²	135.6	78%	0.779	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-82.7	127.2	161.3	6.2	13.2	0	0	0	108.3	M194	M194-P196 VanDerWaalsContact O-CD 3.28Å; M194-P196 WeakPolarHBondContact O-CD 3.39Å
197	S	25.7	Very low	32	Very low	114 Å²	114	138.2 Å²	138.2	80%	0.797	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-66.4	138.7	166.7	47.6	0	0	0	0	110.5
198	P	32.2	Very low	31.3	Very low	122 Å²	122	140 Å²	140	79%	0.792	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-98.1	119.4	-176.9	34.9	-26.2	0	0	0	111.2
199	E	29.4	Very low	31.1	Very low	184 Å²	184	139.8 Å²	139.8	86%	0.86	80%	0.801	S	S	*	*			trans	-141.4	138.1	156.4	-76.1	-166.6	162	0	0	111.7
200	M	29.5	Very low	30.4	Very low	178 Å²	178	140.3 Å²	140.3	88%	0.877	80%	0.803	S	S	*	*			trans	80.9	78.2	169.9	-79.4	-177.8	-78	0	0	119.5
201	S	26.4	Very low	29.7	Very low	112 Å²	112	142.6 Å²	142.6	78%	0.783	81%	0.809	S	S	*	*			trans	-80.1	122	145.7	50.6	0	0	0	0	111.4
202	Q	31.4	Very low	29.3	Very low	197 Å²	197	147.7 Å²	147.7	92%	0.921	82%	0.817	S	S	*	*			trans	-138.3	107.4	144.6	-76.1	-165	3.4	0	0	109.6
203	T	25.4	Very low	29.1	Very low	115 Å²	115	148 Å²	148	71%	0.706	82%	0.819	S	S	*	*			trans	-66.7	143.9	168.4	42.8	0	0	0	0	111.8
204	F	28.4	Very low	29.2	Very low	210 Å²	210	148 Å²	148	92%	0.921	82%	0.815	S	S	*	*			trans	-156.7	139.1	132.8	-94.2	-69.4	0	0	0	110.8
205	T	30	Very low	29	Very low	121 Å²	121	150 Å²	150	74%	0.742	81%	0.812	S	S	*	*			trans	-93	145.5	-167.2	45.9	0	0	0	0	113.8
206	N	24.5	Very low	29.4	Very low	160 Å²	160	147.9 Å²	147.9	86%	0.856	81%	0.805	S	S	*	*			trans	28	124.8	145.6	-67.7	-6	0	0	0	121.4
207	S	29.8	Very low	29.1	Very low	123 Å²	123	150.3 Å²	150.3	86%	0.86	81%	0.806	S	S	*	*				-163.4	132	126.3	56.8	0	0	0	0	112.1
208	T	26.4	Very low	29.3	Very low	140 Å²	140	149 Å²	149	86%	0.859	80%	0.802	S	S	*	*			trans	-64.4	142.2	175.2	42.9	0	0	0	0	115
209	S	31.7	Very low	29.1	Very low	120 Å²	120	148.5 Å²	148.5	84%	0.839	80%	0.802	S	S	*	*			trans	-168	146	140.6	53.8	0	0	0	0	112.1
210	N	27.6	Very low	29.1	Very low	147 Å²	147	148.5 Å²	148.5	79%	0.786	80%	0.804	S	S	*	*			trans	-61	157.9	-172.1	-57.6	-41.6	0	0	0	115.8
211	D	32.2	Very low	28.9	Very low	142 Å²	142	145.2 Å²	145.2	76%	0.759	80%	0.798	S	S	*	*				162	106.9	127.1	-81.4	-15.2	0	0	0	109.1
212	H	31.9	Very low	29.2	Very low	164 Å²	164	149.9 Å²	149.9	76%	0.759	80%	0.804	S	S	*	*				75.8	123.5	100.7	-91.2	-65.1	0	0	0	116.3
213	L	32.2	Very low	29	Very low	139 Å²	139	144.9 Å²	144.9	73%	0.728	80%	0.797	S	S	*	*			trans	90.1	105.5	142.1	-70	155.4	0	0	0	120.7
214	T	31.2	Very low	29.1	Very low	112 Å²	112	145.2 Å²	145.2	69%	0.687	80%	0.804	S	S	*	*				76.8	121.1	122.6	55	0	0	0	0	122.9
215	R	26.6	Very low	29.2	Very low	219 Å²	219	142.6 Å²	142.6	83%	0.826	80%	0.799	S	S	*	*			trans	47.2	117.6	130.2	-68.9	-178.9	172	167.9	-3.1	118.4
216	H	32.4	Very low	28.9	Very low	166 Å²	166	141.5 Å²	141.5	77%	0.769	80%	0.796	S	S	*	*				-178.2	156.7	96	-107.2	-78.2	0	0	0	111.9
217	E	25.8	Very low	29.2	Very low	171 Å²	171	140.6 Å²	140.6	80%	0.799	80%	0.796	S	S	*	*			trans	-68.3	176.1	-173.3	-61.1	157.4	129	0	0	115.6
218	A	31.3	Very low	29	Very low	86 Å²	86	139.3 Å²	139.3	71%	0.711	79%	0.788	S	S	*	*			trans	104.4	98.6	145.6	0	0	0	0	0	118.1
219	S	27	Very low	29.4	Very low	113 Å²	113	138.8 Å²	138.8	79%	0.79	79%	0.787	S	S	*	*			trans	37.8	109.2	133.1	60.3	0	0	0	0	119.1
220	M	29.6	Very low	29.2	Very low	184 Å²	184	140.7 Å²	140.7	91%	0.906	79%	0.786	S	S	*	*			trans	-134.4	129.4	142.6	-72.5	-163.3	82.6	0	0	111
221	S	26.2	Very low	29.2	Very low	108 Å²	108	137.4 Å²	137.4	76%	0.755	78%	0.78	S	S	*	*			trans	-49.2	145.3	169.1	44.6	0	0	0	0	113.4
222	K	30.9	Very low	29.2	Very low	210 Å²	210	136.4 Å²	136.4	91%	0.913	78%	0.781	S	S	*	*			trans	-154.8	132.1	152.4	-109.2	166	-170.3	-180	0	110.9
223	A	27.4	Very low	29	Very low	92 Å²	92	134.5 Å²	134.5	76%	0.76	78%	0.781	S	S	*	*			trans	-56.8	141.2	-178.8	0	0	0	0	0	113.3
224	S	28.5	Very low	28.9	Very low	122 Å²	122	134.7 Å²	134.7	85%	0.853	78%	0.781	S	S	*	*			trans	-99.3	109.7	159.5	43.3	0	0	0	0	109
225	L	30.2	Very low	28.6	Very low	155 Å²	155	135 Å²	135	81%	0.812	78%	0.783	S	S	*	*			trans	-65.4	146.9	162.6	-86.7	88.1	0	0	0	110.2
226	S	23.7	Very low	28.8	Very low	99 Å²	99	130 Å²	130	69%	0.692	78%	0.777	S	S	*	*			trans	-31.1	139.5	160.4	55.5	0	0	0	0	116.1
227	T	30.4	Very low	28.7	Very low	140 Å²	140	128.1 Å²	128.1	86%	0.859	78%	0.777	S	S	*	*			trans	-161.8	120	130.5	44.9	0	0	0	0	109.9
228	S	26.2	Very low	28.8	Very low	97 Å²	97	128.1 Å²	128.1	68%	0.678	78%	0.782	S	S	*	*			trans	-68.1	148.2	163.6	48.6	0	0	0	0	110.7	L230	S228-L230 PolarHBondContact O-N 3.01Å
229	P	34.2	Very low	28.7	Very low	129 Å²	129	135 Å²	135	84%	0.838	79%	0.789	S	S	*	*			trans	-85.3	111	165.4	30.7	-26	0	0	0	109.4
230	L	28.4	Very low	28.7	Very low	159 Å²	159	136.1 Å²	136.1	83%	0.832	79%	0.787	S	S	*	*			trans	-59.6	129.1	164.9	-81	114.3	0	0	0	110.2	S228	S228-L230 PolarHBondContact O-N 3.01Å
231	A	27.1	Very low	28.6	Very low	79 Å²	79	135 Å²	135	65%	0.653	78%	0.784	S	S	*	*			trans	-69.8	140	165	0	0	0	0	0	110.1	T233	A231-T233 PolarHBondContact O-N 3.12Å
232	P	32.3	Very low	28.8	Very low	120 Å²	120	133.4 Å²	133.4	78%	0.779	78%	0.784	S	S	*	*			trans	-80.6	107.7	170.9	31.2	-27.8	0	0	0	108.9	I234	P232-I234 PolarHBondContact O-N 3.01Å
233	T	27.8	Very low	28.5	Very low	125 Å²	125	128.9 Å²	128.9	77%	0.767	78%	0.779	S	S	*	*			trans	-76.8	104.8	164.8	-50.7	0	0	0	0	108.4	A231 V235	A231-T233 PolarHBondContact O-N 3.12Å; T233-V235 HydrophobicContact CG2-CG2 4.03Å
234	I	30.2	Very low	28.6	Very low	142 Å²	142	131.3 Å²	131.3	73%	0.728	78%	0.784	S	S	*	*			trans	-98.3	97.8	164.4	-64.9	177.5	0	0	0	107.6	P232 T236	P232-I234 PolarHBondContact O-N 3.01Å; I234-T236 VanDerWaalsContact CG2-OG1 3.25Å; I234-T236 WeakPolarHBondContact CG2-OG1 3.33Å
235	V	25.5	Very low	28.5	Very low	119 Å²	119	132.8 Å²	132.8	72%	0.721	78%	0.782	S	S	*	*			trans	-78.7	117.7	159.7	171.8	0	0	0	0	106.6	T233	T233-V235 HydrophobicContact CG2-CG2 4.03Å
236	T	30.5	Very low	28.4	Very low	114 Å²	114	130.2 Å²	130.2	70%	0.699	78%	0.777	S	S	*	*			trans	-134.1	112.4	162.8	-28.6	0	0	0	0	110.3	I234	I234-T236 VanDerWaalsContact CG2-OG1 3.25Å; I234-T236 WeakPolarHBondContact CG2-OG1 3.33Å
237	T	29.3	Very low	28.6	Very low	126 Å²	126	133.7 Å²	133.7	77%	0.773	79%	0.786	S	S	*	*			trans	-66.1	120.4	169.2	29.6	0	0	0	0	110.5
238	L	27.9	Very low	28.4	Very low	172 Å²	172	135.1 Å²	135.1	90%	0.901	78%	0.783	S	S	*	*			trans	-88.3	108.7	168.5	-85.5	159.7	0	0	0	109.9
239	R	29.5	Very low	28.6	Very low	229 Å²	229	136.2 Å²	136.2	86%	0.864	79%	0.791	S	S	*	*			trans	-130.1	122.1	157.8	-84.3	-173.1	-174.6	169.2	3.1	109.3
240	N	27.8	Very low	28.4	Very low	138 Å²	138	135.8 Å²	135.8	74%	0.738	79%	0.786	S	S	*	*			trans	69.6	119.9	143.2	-85.5	1.8	0	0	0	121.8
241	L	26.8	Very low	28.6	Very low	161 Å²	161	135.5 Å²	135.5	84%	0.843	78%	0.784	S	S	*	*				83.4	121	127.5	-65.2	162.1	0	0	0	119.6
242	G	30	Very low	28.7	Very low	74 Å²	74	138.6 Å²	138.6	76%	0.763	79%	0.79	S	S	*	*				111.6	95.3	119.4	0	0	0	0	0	118.9
243	S	24.8	Very low	28.7	Very low	114 Å²	114	139.9 Å²	139.9	80%	0.797	79%	0.79	S	S	*	*			trans	4.6	129.1	139.3	146.3	0	0	0	0	118.7
244	V	30.3	Very low	29	Very low	144 Å²	144	138.1 Å²	138.1	87%	0.873	78%	0.783	S	S	*	*				-157.1	135.8	129	-173.9	0	0	0	0	111.2
245	N	26.3	Very low	29.2	Very low	153 Å²	153	138.1 Å²	138.1	82%	0.818	78%	0.784	S	S	*	*			trans	-84.6	143.6	175.5	-80.4	-36.8	0	0	0	114.5
246	S	27	Very low	29.5	Very low	101 Å²	101	138 Å²	138	71%	0.706	78%	0.784	S	S	*	*			trans	31.7	126.2	136.4	-177.5	0	0	0	0	122.3
247	I	29	Very low	29.4	Very low	172 Å²	172	138.4 Å²	138.4	88%	0.882	79%	0.787	S	S	*	*			trans	-142.5	128	144	-59.9	-177	0	0	0	110.6
248	H	25.8	Very low	29.6	Very low	169 Å²	169	140.4 Å²	140.4	78%	0.782	79%	0.791	S	S	*	*			trans	-82.9	150.8	170	-100.2	-77.8	0	0	0	112
249	S	31	Very low	29.6	Very low	121 Å²	121	143.8 Å²	143.8	85%	0.846	79%	0.792	S	S	*	*			trans	-150.2	148.6	149.2	61.8	0	0	0	0	112.5
250	T	29	Very low	29.7	Very low	119 Å²	119	137.6 Å²	137.6	73%	0.73	78%	0.783	S	S	*	*			trans	-114.6	168.4	-162.5	44.1	0	0	0	0	112.3
251	L	33	Very low	29.8	Very low	153 Å²	153	136.6 Å²	136.6	80%	0.801	79%	0.787	S	S	*	*			trans	126.7	106.3	152.8	-68.1	152.8	0	0	0	111.5
252	N	29.2	Very low	29.9	Very low	145 Å²	145	138.4 Å²	138.4	78%	0.775	79%	0.791	S	S	*	*				83.7	122	72	-92.1	10	0	0	0	114.7
253	D	33.1	Very low	29.8	Very low	146 Å²	146	142 Å²	142	78%	0.781	79%	0.792	S	S	*	*			trans	153.2	96.2	140	-78.6	-6.6	0	0	0	109.7
254	S	34.1	Very low	30	Very low	88 Å²	88	141.7 Å²	141.7	62%	0.615	79%	0.79	S	S	*	*				71.6	100.7	92.1	73	0	0	0	0	115
255	N	32.6	Very low	29.8	Very low	143 Å²	143	144.4 Å²	144.4	77%	0.765	79%	0.79	S	S	*	*				169.4	135.9	98.3	-90.3	-28.1	0	0	0	114.6
256	T	32.1	Very low	30	Very low	115 Å²	115	146.6 Å²	146.6	71%	0.706	79%	0.792	S	S	*	*			trans	73.5	91.7	144.6	53.1	0	0	0	0	121
257	T	29.2	Very low	30	Very low	124 Å²	124	149.3 Å²	149.3	76%	0.761	79%	0.794	S	S	*	*				53.3	109	121.4	48.4	0	0	0	0	119.5
258	I	33.2	Very low	29.9	Very low	167 Å²	167	148.9 Å²	148.9	86%	0.856	79%	0.793	S	S	*	*				-156.9	131.4	121.4	-86.6	138.8	0	0	0	109
259	R	28.7	Very low	30.4	Very low	244 Å²	244	147.1 Å²	147.1	92%	0.921	79%	0.788	S	S	*	*			trans	-17.4	113.5	171.6	-65.5	167.7	174.4	172	-3.3	118.1
260	S	30.5	Very low	30.3	Very low	98 Å²	98	145.4 Å²	145.4	69%	0.685	78%	0.776	S	S	*	*			trans	-155.7	78.1	150.9	49.7	0	0	0	0	109.5	E262	S260-E262 PolarHBondContact O-N 3.04Å
261	S	30.8	Very low	30.8	Very low	117 Å²	117	145.8 Å²	145.8	82%	0.818	78%	0.781	S	S	*	*			trans	-87.4	93.6	173.3	54.5	0	0	0	0	109.7
262	E	29.2	Very low	31.7	Very low	200 Å²	200	143.7 Å²	143.7	94%	0.935	77%	0.767	S	S	*	*			trans	178.2	65.8	143.9	-98.9	179.2	-168.7	0	0	107.9	S260	S260-E262 PolarHBondContact O-N 3.04Å
263	L	26.9	Very low	33.1	Very low	150 Å²	150	143.7 Å²	143.7	79%	0.785	77%	0.765	S	S	*	*			trans	-112.4	143.1	165.9	-108.3	113.8	0	0	0	108.6
264	S	28.5	Very low	34.8	Very low	107 Å²	107	137.7 Å²	137.7	75%	0.748	73%	0.734	S	S	*	*			trans	80.1	66.9	161.2	75.6	0	0	0	0	118.4	K266	S264-K266 PolarHBondContact O-N 2.9Å
265	K	26.7	Very low	36.5	Very low	200 Å²	200	137.6 Å²	137.6	87%	0.87	72%	0.724	S	S	*	*			trans	-88	83.6	138.4	-83.9	-178.2	179.4	172.9	0	108.6	Q267	K265-Q267 PolarHBondContact O-N 3.45Å
266	K	29.9	Very low	38.5	Very low	200 Å²	200	131 Å²	131	87%	0.87	69%	0.689	S	S	*	*			trans	-63.8	93.9	153.3	-88.6	-176.5	174.6	-179.8	0	105.9	S264 N268	S264-K266 PolarHBondContact O-N 2.9Å; K266-N268 PolarHBondContact O-N 3.18Å
267	Q	27.9	Very low	40.6	Very low	157 Å²	157	128.4 Å²	128.4	73%	0.734	67%	0.67	S	S	*	*			trans	-65	114.8	164.9	-83	178.3	-17.4	0	0	106.6	K265 I269	K265-Q267 PolarHBondContact O-N 3.45Å; Q267-I269 PolarHBondContact O-N 3.44Å
268	N	26.7	Very low	42.9	Very low	163 Å²	163	126.1 Å²	126.1	87%	0.872	66%	0.657	S	S	*	*			trans	-58.4	97.8	158.1	-83.4	-19.1	0	0	0	106.5	K266 S270	K266-N268 PolarHBondContact O-N 3.18Å; N268-S270 PolarHBondContact O-N 3.5Å; N268-S270 VanDerWaalsContact O-N 3.08Å
269	I	35.8	Very low	45	Very low	133 Å²	133	118.3 Å²	118.3	68%	0.682	62%	0.617	S	S	*	*			trans	-74.2	99.2	173.6	-61.3	150.7	0	0	0	104.7	Q267	Q267-I269 PolarHBondContact O-N 3.44Å
270	S	29.4	Very low	47.4	Very low	85 Å²	85	107.4 Å²	107.4	59%	0.594	58%	0.576	S	S	*	*			trans	-47.8	135.1	157.5	52.5	0	0	0	0	107.2	N268 Q272	N268-S270 PolarHBondContact O-N 3.5Å; N268-S270 VanDerWaalsContact O-N 3.08Å; S270-Q272 PolarHBondContact O-N 3.45Å
271	P	39.9	Very low	49.9	Very low	126 Å²	126	108.5 Å²	108.5	82%	0.818	57%	0.565	S	S	*	*			trans	-53.9	104.8	179	22.4	-31.4	0	0	0	107.7	I273	P271-I273 PolarHBondContact O-N 3.03Å
272	Q	52.3	Low	52.4	Low	110 Å²	110	103.2 Å²	103.2	51%	0.514	53%	0.527	S	S	.	.	P	Polyproline II helix	trans	-68.7	119.6	179.8	-77.6	-171.2	-14	0	0	105.3	S270 P274	S270-Q272 PolarHBondContact O-N 3.45Å; Q272-P274 VanDerWaalsContact O-N 3.14Å
273	I	58.9	Low	55.1	Low	144 Å²	144	96 Å²	96	74%	0.738	49%	0.494	S	S	*	.	P	Polyproline II helix	trans	-55.6	122.7	174	-59.8	170.3	0	0	0	106.2	P271 H275	P271-I273 PolarHBondContact O-N 3.03Å; I273-H275 PolarHBondContact O-N 3.2Å; I273-H275 PolarHBondContact O-ND1 3.48Å
274	P	68	Low	57.8	Low	20 Å²	20	89.4 Å²	89.4	13%	0.13	46%	0.46	C	S	.	.	P	Polyproline II helix	trans	-62.2	131.8	180	30.8	-38.1	0	0	0	108.1	Q272 Y586 I587 N611	Q272-P274 VanDerWaalsContact O-N 3.14Å; P274-Y586 HydrophobicContact CB-CD1 4.45Å; P274-Y586 HydrophobicContact CB-CE1 3.82Å; P274-Y586 HydrophobicContact CG-CD1 4.11Å; P274-Y586 HydrophobicContact CG-CD2 4.47Å; P274-Y586 HydrophobicContact CG-CE1 3.68Å; P274-Y586 HydrophobicContact CG-CE2 4.04Å; P274-Y586 HydrophobicContact CG-CG 4.5Å; P274-I587 HydrophobicContact CB-CD1 3.76Å; P274-I587 HydrophobicContact CB-CG1 3.83Å; P274-I587 HydrophobicContact CG-CD1 4.32Å; P274-I587 HydrophobicContact CG-CG1 3.82Å; P274-N611 VanDerWaalsContact CB-O 3.25Å; P274-N611 WeakPolarHBondContact CB-O 3.47Å
275	H	69.4	Low	60.7	Low	86 Å²	86	88.8 Å²	88.8	40%	0.398	46%	0.456	S	S	.	.			trans	-137.6	155.3	-179.3	58.6	-83.9	0	0	0	109.7	I273	I273-H275 PolarHBondContact O-N 3.2Å; I273-H275 PolarHBondContact O-ND1 3.48Å
276	V	75.2	Confident	63.5	Low	4 Å²	4	81.4 Å²	81.4	2%	0.024	43%	0.425	C	S	.	.			trans	-85.3	146.8	174.7	-171.8	0	0	0	0	108.7	L573 I587 E589 Y615	V276-L573 HydrophobicContact CG2-CD2 4.26Å; V276-I587 HydrophobicContact CG2-CD1 4.5Å; V276-I587 HydrophobicContact CG2-CG2 4.16Å; V276-E589 WeakPolarHBondContact CA-OE2 3.43Å; V276-E589 WeakPolarHBondContact CB-OE2 3.38Å; V276-E589 PolarHBondContact N-OE2 2.84Å; V276-Y615 HydrophobicContact CG1-CD2 4.08Å; V276-Y615 HydrophobicContact CG1-CG 4.33Å; V276-Y615 HydrophobicContact CG2-CD2 4.11Å
277	I	75.7	Confident	66.2	Low	61 Å²	61	72 Å²	72	31%	0.313	38%	0.384	S	S	.	.			trans	-113.3	110.3	178.5	-59.3	175	0	0	0	108.1	L279	I277-L279 HydrophobicContact CG2-CD2 4.29Å; I277-L279 PolarHBondContact O-N 3.22Å
278	P	76.9	Confident	68.7	Low	76 Å²	76	70.9 Å²	70.9	49%	0.494	38%	0.377	S	S	.	.			trans	-61.3	123.4	171.4	17.4	-27.5	0	0	0	110.8	Q617	P278-Q617 VanDerWaalsContact CB-OE1 3.26Å
279	L	77.3	Confident	71.2	Confident	4 Å²	4	65.6 Å²	65.6	2%	0.021	36%	0.361	C	S	.	.			trans	-99.3	-72.3	177.1	-63.8	175.8	0	0	0	111.4	K172 Y176 I277 V614 L616	K172-L279 WeakPolarHBondContact CD-O 3.31Å; K172-L279 VanDerWaalsContact CE-O 3.23Å; K172-L279 WeakPolarHBondContact CE-O 3.26Å; K172-L279 PolarHBondContact NZ-O 3.01Å; Y176-L279 HydrophobicContact CD2-CD1 3.62Å; Y176-L279 HydrophobicContact CG-CD1 4.3Å; I277-L279 HydrophobicContact CG2-CD2 4.29Å; I277-L279 PolarHBondContact O-N 3.22Å; L279-V614 HydrophobicContact CD1-CG1 4.22Å; L279-L616 HydrophobicContact CD1-CD2 4.35Å
280	W	80.4	Confident	73.4	Confident	14 Å²	14	61.3 Å²	61.3	5%	0.053	34%	0.338	C	S	.	.			trans	-121.8	157.1	-172.2	-62.6	-70.7	0	0	0	112.1	L173 Y176 F282 L327 I330 L616	L173-W280 HydrophobicContact CB-CZ2 4.28Å; L173-W280 HydrophobicContact CD1-CH2 4.21Å; L173-W280 HydrophobicContact CD1-CZ2 4.05Å; Y176-W280 AromaticContact CD1-CH2 3.66Å; Y176-W280 HydrophobicContact CD1-CH2 3.66Å; Y176-W280 HydrophobicContact CD1-CZ3 4.19Å; Y176-W280 HydrophobicContact CD2-CH2 4.04Å; Y176-W280 AromaticContact CD2-CZ3 3.88Å; Y176-W280 HydrophobicContact CD2-CZ3 3.88Å; Y176-W280 HydrophobicContact CE1-CH2 4.34Å; Y176-W280 HydrophobicContact CE2-CZ3 4.31Å; Y176-W280 AromaticContact CG-CH2 3.47Å; Y176-W280 HydrophobicContact CG-CH2 3.47Å; Y176-W280 VanDerWaalsContact CG-CH2 3.47Å; Y176-W280 AromaticContact CG-CZ3 3.81Å; Y176-W280 HydrophobicContact CG-CZ3 3.81Å; W280-F282 HydrophobicContact CB-CD2 4.42Å; W280-F282 HydrophobicContact CB-CE2 3.71Å; W280-F282 HydrophobicContact CB-CZ 3.8Å; W280-F282 HydrophobicContact CG-CZ 4.36Å; W280-L327 HydrophobicContact CE3-CD2 4.02Å; W280-L327 HydrophobicContact CZ3-CD2 3.99Å; W280-I330 HydrophobicContact CB-CG2 4.36Å; W280-I330 HydrophobicContact CG-CD1 4.07Å; W280-I330 HydrophobicContact CG-CG1 4.31Å; W280-I330 VanDerWaalsContact NE1-CD1 3.29Å; W280-L616 HydrophobicContact CE3-CD2 3.38Å; W280-L616 HydrophobicContact CZ3-CD2 3.41Å; W280-L616 VanDerWaalsContact CZ3-CD2 3.41Å
281	R	82.8	Confident	76.1	Confident	122 Å²	122	59 Å²	59	46%	0.46	32%	0.319	S	S	.	.			trans	-125.2	111.1	173.6	-178	171.6	170.3	162.1	-2	110.1	Q283 M620	R281-Q283 VanDerWaalsContact CZ-OE1 3.3Å; R281-Q283 PolarHBondContact O-N 3.2Å; R281-Q283 VanDerWaalsContact O-N 3.09Å; R281-M620 HydrophobicContact CG-SD 4.46Å
282	F	83.6	Confident	78.5	Confident	5 Å²	5	53.8 Å²	53.8	2%	0.022	28%	0.284	C	S	.	.			trans	-54.7	45.6	173.9	31.9	-152.5	0	0	0	120.9	W280 W325 L327 I330 F618 M620	W280-F282 HydrophobicContact CB-CD2 4.42Å; W280-F282 HydrophobicContact CB-CE2 3.71Å; W280-F282 HydrophobicContact CB-CZ 3.8Å; W280-F282 HydrophobicContact CG-CZ 4.36Å; F282-W325 HydrophobicContact CB-CD2 3.68Å; F282-W325 HydrophobicContact CB-CE3 3.53Å; F282-W325 HydrophobicContact CB-CG 4.31Å; F282-W325 HydrophobicContact CB-CH2 3.96Å; F282-W325 HydrophobicContact CB-CZ2 4.12Å; F282-W325 HydrophobicContact CB-CZ3 3.67Å; F282-W325 HydrophobicContact CD1-CB 4.15Å; F282-W325 HydrophobicContact CD1-CD2 4.11Å; F282-W325 AromaticContact CD1-CE3 3.67Å; F282-W325 HydrophobicContact CD1-CE3 3.67Å; F282-W325 HydrophobicContact CD1-CG 4.35Å; F282-W325 HydrophobicContact CD1-CZ3 4.34Å; F282-W325 HydrophobicContact CG-CD2 4.2Å; F282-W325 HydrophobicContact CG-CE3 4.05Å; F282-W325 HydrophobicContact CG-CG 4.44Å; F282-W325 VanDerWaalsContact O-CZ2 3.3Å; F282-W325 WeakPolarHBondContact O-CZ2 3.31Å; F282-L327 HydrophobicContact CZ-CD2 3.78Å; F282-I330 HydrophobicContact CD1-CB 4.25Å; F282-I330 HydrophobicContact CD1-CG1 4.42Å; F282-I330 HydrophobicContact CD1-CG2 3.97Å; F282-I330 HydrophobicContact CE1-CB 4.15Å; F282-I330 HydrophobicContact CE1-CG1 3.81Å; F282-I330 HydrophobicContact CE1-CG2 4.1Å; F282-I330 HydrophobicContact CZ-CG1 4.43Å; F282-F618 AromaticContact CD2-CD1 3.71Å; F282-F618 HydrophobicContact CD2-CD1 3.71Å; F282-F618 AromaticContact CD2-CE1 3.65Å; F282-F618 HydrophobicContact CD2-CE1 3.65Å; F282-F618 AromaticContact CE2-CD1 3.84Å; F282-F618 HydrophobicContact CE2-CD1 3.84Å; F282-F618 AromaticContact CE2-CE1 3.34Å; F282-F618 HydrophobicContact CE2-CE1 3.34Å; F282-F618 HydrophobicContact CE2-CZ 4.35Å; F282-F618 HydrophobicContact CZ-CE1 4.29Å; F282-M620 WeakPolarHBondContact O-CE 3.23Å
283	Q	84.7	Confident	80.3	Confident	50 Å²	50	49.5 Å²	49.5	23%	0.234	27%	0.266	C	S	.	.			trans	-121.7	136.3	-168.6	-167.7	167.1	7.2	0	0	117.2	R281 M620	R281-Q283 VanDerWaalsContact CZ-OE1 3.3Å; R281-Q283 PolarHBondContact O-N 3.2Å; R281-Q283 VanDerWaalsContact O-N 3.09Å; Q283-M620 HydrophobicContact CB-CE 3.73Å; Q283-M620 HydrophobicContact CB-SD 3.62Å; Q283-M620 HydrophobicContact CG-CE 3.84Å; Q283-M620 HydrophobicContact CG-SD 4.17Å
284	C	84.9	Confident	81.9	Confident	11 Å²	11	43.3 Å²	43.3	7%	0.074	23%	0.234	C	C	.	.			trans	-139.9	167.5	168.1	64.2	0	0	0	0	111.9	M286 T287 W325 Y332	C284-M286 VanDerWaalsContact C-N 3.31Å; C284-M286 PolarHBondContact O-N 2.87Å; C284-M286 WeakPolarHBondContact SG-CG 3.33Å; C284-T287 PolarHBondContact N-OG1 3.44Å; C284-T287 PolarHBondContact O-N 2.98Å; C284-T287 VanDerWaalsContact O-N 3.11Å; C284-T287 PolarHBondContact O-OG1 3.44Å; C284-T287 VanDerWaalsContact SG-CG2 3.58Å; C284-W325 HydrophobicContact CB-CH2 4.04Å; C284-Y332 HydrophobicContact CB-CD2 4.22Å; C284-Y332 HydrophobicContact CB-CE2 4.48Å
285	S	88.5	Confident	83	Confident	94 Å²	94	42.9 Å²	42.9	66%	0.657	23%	0.231	S	C	*	.	G	3₁₀ helix	trans	-57.2	-38.6	-175.7	52.9	0	0	0	0	113.8	T287 K288	S285-T287 VanDerWaalsContact C-N 3.3Å; S285-T287 PolarHBondContact O-N 2.77Å; S285-K288 WeakPolarHBondContact O-CB 3.49Å; S285-K288 PolarHBondContact O-N 3.25Å
286	M	86.4	Confident	84.1	Confident	44 Å²	44	39.4 Å²	39.4	22%	0.217	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-68.5	-25.4	178.9	65.2	174.9	80.3	0	0	113.9	C284 K288 L321 Y332 P333 Y336	C284-M286 VanDerWaalsContact C-N 3.31Å; C284-M286 PolarHBondContact O-N 2.87Å; C284-M286 WeakPolarHBondContact SG-CG 3.33Å; M286-K288 VanDerWaalsContact C-N 3.3Å; M286-L321 HydrophobicContact CB-CD2 4.28Å; M286-L321 HydrophobicContact CG-CD2 3.89Å; M286-L321 HydrophobicContact SD-CD1 4.17Å; M286-L321 HydrophobicContact SD-CD2 4.07Å; M286-Y332 HydrophobicContact CE-CE1 3.78Å; M286-Y332 HydrophobicContact CE-CE2 3.91Å; M286-Y332 WeakPolarHBondContact CE-OH 3.06Å; M286-P333 HydrophobicContact SD-CG 4.38Å; M286-Y336 HydrophobicContact CE-CD1 4.03Å; M286-Y336 HydrophobicContact CE-CD2 4.34Å; M286-Y336 HydrophobicContact CE-CE1 4.14Å; M286-Y336 HydrophobicContact CE-CE2 4.45Å; M286-Y336 HydrophobicContact CE-CG 4.14Å; M286-Y336 HydrophobicContact SD-CD1 4.35Å; M286-Y336 HydrophobicContact SD-CD2 4.05Å; M286-Y336 HydrophobicContact SD-CG 3.9Å
287	T	85.2	Confident	84.8	Confident	4 Å²	4	39.7 Å²	39.7	3%	0.025	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-82	-10.4	179	56.3	0	0	0	0	113	C284 S285 G289 H290 Y309 L321 W325	C284-T287 PolarHBondContact N-OG1 3.44Å; C284-T287 PolarHBondContact O-N 2.98Å; C284-T287 VanDerWaalsContact O-N 3.11Å; C284-T287 PolarHBondContact O-OG1 3.44Å; C284-T287 VanDerWaalsContact SG-CG2 3.58Å; S285-T287 VanDerWaalsContact C-N 3.3Å; S285-T287 PolarHBondContact O-N 2.77Å; T287-G289 PolarHBondContact O-N 3.39Å; T287-H290 PolarHBondContact O-N 3.27Å; T287-Y309 HydrophobicContact CG2-CD2 4.45Å; T287-Y309 HydrophobicContact CG2-CE1 3.92Å; T287-Y309 HydrophobicContact CG2-CE2 3.83Å; T287-L321 HydrophobicContact CG2-CD2 3.92Å; T287-W325 HydrophobicContact CG2-CZ2 4.11Å
288	K	80.4	Confident	85.6	Confident	133 Å²	133	37.3 Å²	37.3	58%	0.578	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.2	135.8	177.8	-65.3	-171.1	176.2	-169.4	0	109.9	S285 M286 H290	S285-K288 WeakPolarHBondContact O-CB 3.49Å; S285-K288 PolarHBondContact O-N 3.25Å; M286-K288 VanDerWaalsContact C-N 3.3Å; K288-H290 VanDerWaalsContact C-N 3.28Å; K288-H290 PolarHBondContact O-N 2.85Å; K288-H290 PolarHBondContact O-ND1 2.87Å
289	G	79.5	Confident	86.1	Confident	51 Å²	51	37.8 Å²	37.8	53%	0.526	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.6	-0.1	179.6	0	0	0	0	0	115.7	T287	T287-G289 PolarHBondContact O-N 3.39Å
290	H	81.5	Confident	86.6	Confident	44 Å²	44	45.2 Å²	45.2	20%	0.204	24%	0.235	C	C	.	.			trans	-108	137.4	174.5	-57.7	56.5	0	0	0	110.6	T287 K288 Y309 T622	T287-H290 PolarHBondContact O-N 3.27Å; K288-H290 VanDerWaalsContact C-N 3.28Å; K288-H290 PolarHBondContact O-N 2.85Å; K288-H290 PolarHBondContact O-ND1 2.87Å; H290-Y309 HydrophobicContact CB-CD1 4.22Å; H290-Y309 HydrophobicContact CB-CG 4.33Å; H290-T622 WeakPolarHBondContact O-CG2 3.45Å
291	N	87.1	Confident	86.8	Confident	36 Å²	36	47.1 Å²	47.1	19%	0.193	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	148	177.9	-62.8	-59.8	0	0	0	111.4	S293 Y309 G310 Q311 F312 T622	N291-S293 PolarHBondContact O-N 3.12Å; N291-Y309 CarbonylContact O-C 3.57Å; N291-Y309 WeakPolarHBondContact O-CA 3.47Å; N291-G310 WeakPolarHBondContact CB-O 3.44Å; N291-G310 PolarHBondContact N-O 2.6Å; N291-G310 PolarHBondContact O-N 2.86Å; N291-G310 VanDerWaalsContact O-O 3.11Å; N291-Q311 PolarHBondContact ND2-OE1 3.19Å; N291-F312 HydrophobicContact CB-CD2 4.04Å; N291-F312 HydrophobicContact CB-CE2 3.55Å; N291-F312 HydrophobicContact CB-CZ 4.39Å; N291-T622 WeakPolarHBondContact OD1-CG2 3.25Å; N291-T622 PolarHBondContact OD1-OG1 2.72Å
292	I	90.1	Very high	86.7	Confident	16 Å²	16	43.5 Å²	43.5	8%	0.082	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	121.5	175.3	-64.2	174.8	0	0	0	109.2	M295 I307 G308 Y309 F312 T598 M620	I292-M295 HydrophobicContact CG2-CG 3.83Å; I292-M295 HydrophobicContact CG2-SD 4.07Å; I292-I307 HydrophobicContact CB-CG2 4.44Å; I292-I307 HydrophobicContact CD1-CG2 4.24Å; I292-I307 HydrophobicContact CG1-CG2 3.93Å; I292-I307 HydrophobicContact CG2-CG2 3.86Å; I292-G308 WeakPolarHBondContact CA-O 3.43Å; I292-Y309 HydrophobicContact CD1-CE1 4.44Å; I292-Y309 HydrophobicContact CG1-CD1 4.02Å; I292-Y309 HydrophobicContact CG1-CE1 3.72Å; I292-F312 WeakPolarHBondContact O-CZ 3.34Å; I292-T598 PolarHBondContact O-OG1 3.47Å; I292-M620 HydrophobicContact CD1-CB 3.71Å; I292-M620 HydrophobicContact CD1-CG 3.89Å; I292-M620 HydrophobicContact CG1-CB 4.49Å
293	S	90	Very high	86.7	Confident	21 Å²	21	45.6 Å²	45.6	15%	0.147	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	-43.6	-178.9	67	0	0	0	0	113.5	N291 G308 V343	N291-S293 PolarHBondContact O-N 3.12Å; S293-G308 PolarHBondContact N-O 3.24Å; S293-G308 PolarHBondContact OG-O 3.38Å; S293-V343 WeakPolarHBondContact CB-O 3.39Å; S293-V343 PolarHBondContact OG-O 2.98Å
294	D	91.7	Very high	86.9	Confident	13 Å²	13	44.6 Å²	44.6	7%	0.07	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	157.6	-178	-160.3	9.1	0	0	0	109.7	G308 I346 K394	D294-G308 PolarHBondContact O-N 3.17Å; D294-I346 PolarHBondContact OD2-N 3Å; D294-K394 IonicContact OD1-NZ 3.81Å; D294-K394 PolarHBondContact OD1-NZ 3.26Å; D294-K394 VanDerWaalsContact OD1-NZ 3.1Å; D294-K394 IonicContact OD2-NZ 2.63Å; D294-K394 PolarHBondContact OD2-NZ 2.7Å; D294-K394 VanDerWaalsContact OD2-NZ 3.15Å
295	M	92.6	Very high	87.2	Confident	11 Å²	11	44.2 Å²	44.2	5%	0.054	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	142.6	-175.7	-63.1	173.4	67.7	0	0	110	I292 L305 A306 I307 L601 F618	I292-M295 HydrophobicContact CG2-CG 3.83Å; I292-M295 HydrophobicContact CG2-SD 4.07Å; M295-L305 HydrophobicContact CB-CD1 4.48Å; M295-L305 HydrophobicContact CE-CD1 4.4Å; M295-L305 HydrophobicContact CE-CD2 3.76Å; M295-A306 WeakPolarHBondContact CA-O 3.42Å; M295-I307 HydrophobicContact CE-CD1 4.31Å; M295-I307 HydrophobicContact CE-CG1 4.43Å; M295-I307 HydrophobicContact CG-CG1 4.37Å; M295-I307 HydrophobicContact CG-CG2 4.4Å; M295-L601 HydrophobicContact CB-CD2 4Å; M295-F618 HydrophobicContact CE-CB 3.77Å; M295-F618 HydrophobicContact CE-CD1 4.22Å; M295-F618 HydrophobicContact CE-CD2 3.46Å; M295-F618 VanDerWaalsContact CE-CD2 3.46Å; M295-F618 HydrophobicContact CE-CE2 4.1Å; M295-F618 HydrophobicContact CE-CG 3.54Å
296	A	92.6	Very high	87.4	Confident	14 Å²	14	39.7 Å²	39.7	12%	0.116	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	125.5	177.8	0	0	0	0	0	112.3	A306 I346 W348	A296-A306 PolarHBondContact N-O 2.8Å; A296-A306 PolarHBondContact O-N 3.01Å; A296-I346 HydrophobicContact CB-CG2 4.21Å; A296-W348 VanDerWaalsContact O-CD1 3.29Å; A296-W348 PolarHBondContact O-NE1 2.97Å
297	W	90.1	Very high	87.7	Confident	10 Å²	10	37.7 Å²	37.7	4%	0.038	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	140.5	170.6	-71.8	107.7	0	0	0	111.3	P302 L305 W348 L601 L616 F618	W297-P302 WeakPolarHBondContact CZ3-O 3.32Å; W297-L305 HydrophobicContact CD2-CB 4.43Å; W297-L305 HydrophobicContact CD2-CD1 3.81Å; W297-L305 HydrophobicContact CE3-CB 3.89Å; W297-L305 HydrophobicContact CE3-CD1 4.13Å; W297-L305 HydrophobicContact CG-CD1 4.19Å; W297-L305 HydrophobicContact CH2-CB 4Å; W297-L305 HydrophobicContact CH2-CD1 4.49Å; W297-L305 HydrophobicContact CH2-CD2 4.27Å; W297-L305 HydrophobicContact CZ2-CD1 4.21Å; W297-L305 HydrophobicContact CZ2-CD2 4.29Å; W297-L305 HydrophobicContact CZ3-CB 3.65Å; W297-L305 HydrophobicContact CZ3-CD1 4.46Å; W297-L305 HydrophobicContact CZ3-CG 4.5Å; W297-W348 VanDerWaalsContact C-CD1 3.44Å; W297-L601 HydrophobicContact CG-CD2 4.29Å; W297-L616 HydrophobicContact CH2-CD1 3.66Å; W297-L616 HydrophobicContact CZ2-CD1 3.59Å; W297-F618 HydrophobicContact CH2-CE2 4.35Å; W297-F618 AromaticContact CH2-CZ 3.69Å; W297-F618 HydrophobicContact CH2-CZ 3.69Å; W297-F618 AromaticContact CZ2-CE2 3.72Å; W297-F618 HydrophobicContact CZ2-CE2 3.72Å; W297-F618 AromaticContact CZ2-CZ 3.54Å; W297-F618 HydrophobicContact CZ2-CZ 3.54Å
298	N	91	Very high	88.1	Confident	10 Å²	10	37.5 Å²	37.5	5%	0.053	20%	0.2	C	C	.	.			trans	-67.9	132.3	170.9	-174.5	-69.8	0	0	0	110	Q300 N301 I304 W348 A353	N298-Q300 PolarHBondContact O-N 3.09Å; N298-Q300 PolarHBondContact OD1-N 2.88Å; N298-N301 WeakPolarHBondContact CB-O 3.2Å; N298-N301 PolarHBondContact OD1-N 3.29Å; N298-I304 HydrophobicContact CB-CB 3.85Å; N298-I304 HydrophobicContact CB-CG2 4.16Å; N298-I304 WeakPolarHBondContact CB-O 3.12Å; N298-I304 PolarHBondContact N-O 2.8Å; N298-W348 HydrophobicContact CB-CD2 4.29Å; N298-W348 HydrophobicContact CB-CZ2 4.31Å; N298-W348 VanDerWaalsContact ND2-CZ3 3.34Å; N298-W348 WeakPolarHBondContact ND2-CZ3 3.1Å; N298-A353 PolarHBondContact ND2-O 3Å
299	K	87.3	Confident	88.7	Confident	87 Å²	87	31.2 Å²	31.2	38%	0.378	17%	0.173	S	C	.	.	S	Bend	trans	-73.7	-23.3	-171.9	-59.2	-54.7	-167.3	-173	0	114.5	W348 N350 E604	K299-W348 HydrophobicContact CG-CB 4.43Å; K299-N350 WeakPolarHBondContact CE-OD1 3Å; K299-N350 WeakPolarHBondContact CG-OD1 3.35Å; K299-E604 WeakPolarHBondContact CD-OE1 3.49Å; K299-E604 IonicContact NZ-OE1 3.64Å; K299-E604 PolarHBondContact NZ-OE1 2.78Å
300	Q	87.9	Confident	89	Confident	160 Å²	160	28.9 Å²	28.9	75%	0.748	15%	0.149	S	C	*	.	S	Bend	trans	-100.3	-40.6	179.3	-172.3	176.2	3.1	0	0	111.5	N298 A353	N298-Q300 PolarHBondContact O-N 3.09Å; N298-Q300 PolarHBondContact OD1-N 2.88Å; Q300-A353 HydrophobicContact CB-CB 3.51Å
301	N	86.1	Confident	89.2	Confident	54 Å²	54	28.1 Å²	28.1	29%	0.289	15%	0.146	S	C	.	.			trans	-113.1	101.2	-179.7	-173.9	-5.8	0	0	0	111.3	N298 N303 I304	N298-N301 WeakPolarHBondContact CB-O 3.2Å; N298-N301 PolarHBondContact OD1-N 3.29Å; N301-N303 PolarHBondContact O-N 3.4Å; N301-N303 WeakPolarHBondContact OD1-CB 3.39Å; N301-N303 PolarHBondContact OD1-N 2.83Å; N301-N303 PolarHBondContact OD1-ND2 2.88Å; N301-I304 HydrophobicContact CB-CD1 4.15Å; N301-I304 HydrophobicContact CB-CG1 4.38Å; N301-I304 WeakPolarHBondContact ND2-CD1 2.9Å; N301-I304 PolarHBondContact O-N 3.17Å; N301-I304 VanDerWaalsContact O-N 3.07Å
302	P	80.2	Confident	88.7	Confident	45 Å²	45	30.9 Å²	30.9	29%	0.292	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-5.3	-175.3	29.7	-36.7	0	0	0	113.9	W297 T605	W297-P302 WeakPolarHBondContact CZ3-O 3.32Å; P302-T605 HydrophobicContact CB-CG2 3.51Å; P302-T605 HydrophobicContact CG-CG2 3.89Å
303	N	83.1	Confident	88.3	Confident	49 Å²	49	35.1 Å²	35.1	26%	0.262	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-12.1	175.6	-56.1	-64.7	0	0	0	113	N301 S326 L327	N301-N303 PolarHBondContact O-N 3.4Å; N301-N303 WeakPolarHBondContact OD1-CB 3.39Å; N301-N303 PolarHBondContact OD1-N 2.83Å; N301-N303 PolarHBondContact OD1-ND2 2.88Å; N303-S326 CarbonylContact O-C 3.5Å; N303-S326 VanDerWaalsContact O-CA 3.32Å; N303-S326 WeakPolarHBondContact O-CA 3.44Å; N303-L327 HydrophobicContact CB-CB 4.21Å; N303-L327 HydrophobicContact CB-CD1 4.43Å; N303-L327 HydrophobicContact CB-CG 4.31Å; N303-L327 PolarHBondContact O-N 3.18Å
304	I	88.5	Confident	87.8	Confident	29 Å²	29	40.4 Å²	40.4	15%	0.149	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	125	-176.9	-60.5	175	0	0	0	109.9	N298 N301 C324 W325 W348	N298-I304 HydrophobicContact CB-CB 3.85Å; N298-I304 HydrophobicContact CB-CG2 4.16Å; N298-I304 WeakPolarHBondContact CB-O 3.12Å; N298-I304 PolarHBondContact N-O 2.8Å; N301-I304 HydrophobicContact CB-CD1 4.15Å; N301-I304 HydrophobicContact CB-CG1 4.38Å; N301-I304 WeakPolarHBondContact ND2-CD1 2.9Å; N301-I304 PolarHBondContact O-N 3.17Å; N301-I304 VanDerWaalsContact O-N 3.07Å; I304-C324 HydrophobicContact CG2-CB 4.41Å; I304-W325 VanDerWaalsContact CA-O 3.32Å; I304-W325 WeakPolarHBondContact CA-O 3.35Å; I304-W348 HydrophobicContact CG2-CH2 4.41Å; I304-W348 HydrophobicContact CG2-CZ2 4Å
305	L	90.8	Very high	87.2	Confident	3 Å²	3	47.9 Å²	47.9	2%	0.016	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	124.6	176.1	177.4	66.2	0	0	0	110.1	M295 W297 I307 C324 W325 L601 F618	M295-L305 HydrophobicContact CB-CD1 4.48Å; M295-L305 HydrophobicContact CE-CD1 4.4Å; M295-L305 HydrophobicContact CE-CD2 3.76Å; W297-L305 HydrophobicContact CD2-CB 4.43Å; W297-L305 HydrophobicContact CD2-CD1 3.81Å; W297-L305 HydrophobicContact CE3-CB 3.89Å; W297-L305 HydrophobicContact CE3-CD1 4.13Å; W297-L305 HydrophobicContact CG-CD1 4.19Å; W297-L305 HydrophobicContact CH2-CB 4Å; W297-L305 HydrophobicContact CH2-CD1 4.49Å; W297-L305 HydrophobicContact CH2-CD2 4.27Å; W297-L305 HydrophobicContact CZ2-CD1 4.21Å; W297-L305 HydrophobicContact CZ2-CD2 4.29Å; W297-L305 HydrophobicContact CZ3-CB 3.65Å; W297-L305 HydrophobicContact CZ3-CD1 4.46Å; W297-L305 HydrophobicContact CZ3-CG 4.5Å; L305-I307 HydrophobicContact CD2-CD1 3.85Å; L305-I307 HydrophobicContact CD2-CG1 3.89Å; L305-I307 HydrophobicContact CG-CD1 4.39Å; L305-I307 HydrophobicContact CG-CG1 3.89Å; L305-C324 CarbonylContact O-C 3.57Å; L305-C324 WeakPolarHBondContact O-CA 3.45Å; L305-W325 PolarHBondContact N-O 2.8Å; L305-W325 PolarHBondContact O-N 2.77Å; L305-L601 HydrophobicContact CD1-CD2 4.41Å; L305-F618 HydrophobicContact CD2-CD1 3.71Å; L305-F618 HydrophobicContact CD2-CD2 4.29Å; L305-F618 HydrophobicContact CD2-CE1 3.18Å; L305-F618 HydrophobicContact CD2-CE2 3.83Å; L305-F618 HydrophobicContact CD2-CG 4.25Å; L305-F618 HydrophobicContact CD2-CZ 3.27Å
306	A	93.4	Very high	86.6	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	132.4	167	0	0	0	0	0	110	M295 A296 C323 I346 W348 L356	M295-A306 WeakPolarHBondContact CA-O 3.42Å; A296-A306 PolarHBondContact N-O 2.8Å; A296-A306 PolarHBondContact O-N 3.01Å; A306-C323 CarbonylContact C-O 3.52Å; A306-C323 WeakPolarHBondContact CA-O 3.38Å; A306-I346 HydrophobicContact CB-CG2 4.03Å; A306-W348 HydrophobicContact CB-CZ2 3.84Å; A306-W348 VanDerWaalsContact CB-NE1 3.35Å; A306-L356 HydrophobicContact CB-CD1 3.87Å; A306-L356 HydrophobicContact CB-CD2 4.11Å
307	I	93.8	Very high	86.1	Confident	1 Å²	1	53.1 Å²	53.1	1%	0.005	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	129.4	174.5	-56.7	-176.4	0	0	0	108.5	I292 M295 L305 Y309 V322 C323	I292-I307 HydrophobicContact CB-CG2 4.44Å; I292-I307 HydrophobicContact CD1-CG2 4.24Å; I292-I307 HydrophobicContact CG1-CG2 3.93Å; I292-I307 HydrophobicContact CG2-CG2 3.86Å; M295-I307 HydrophobicContact CE-CD1 4.31Å; M295-I307 HydrophobicContact CE-CG1 4.43Å; M295-I307 HydrophobicContact CG-CG1 4.37Å; M295-I307 HydrophobicContact CG-CG2 4.4Å; L305-I307 HydrophobicContact CD2-CD1 3.85Å; L305-I307 HydrophobicContact CD2-CG1 3.89Å; L305-I307 HydrophobicContact CG-CD1 4.39Å; L305-I307 HydrophobicContact CG-CG1 3.89Å; I307-Y309 HydrophobicContact CB-CE2 3.86Å; I307-Y309 HydrophobicContact CG2-CD1 4.48Å; I307-Y309 HydrophobicContact CG2-CD2 4.15Å; I307-Y309 HydrophobicContact CG2-CE1 3.99Å; I307-Y309 HydrophobicContact CG2-CE2 3.6Å; I307-V322 WeakPolarHBondContact O-CA 3.41Å; I307-C323 PolarHBondContact N-O 3.46Å; I307-C323 PolarHBondContact O-N 2.77Å
308	G	93	Very high	85.9	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	131.9	173.1	0	0	0	0	0	110	I292 S293 D294	I292-G308 WeakPolarHBondContact CA-O 3.43Å; S293-G308 PolarHBondContact N-O 3.24Å; S293-G308 PolarHBondContact OG-O 3.38Å; D294-G308 PolarHBondContact O-N 3.17Å
309	Y	92	Very high	85.9	Confident	1 Å²	1	63.5 Å²	63.5	0%	0.004	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	130.8	177.4	-58.9	-92.4	0	0	0	110.1	T287 H290 N291 I292 I307 G320 L321 C323 W325 V343	T287-Y309 HydrophobicContact CG2-CD2 4.45Å; T287-Y309 HydrophobicContact CG2-CE1 3.92Å; T287-Y309 HydrophobicContact CG2-CE2 3.83Å; H290-Y309 HydrophobicContact CB-CD1 4.22Å; H290-Y309 HydrophobicContact CB-CG 4.33Å; N291-Y309 CarbonylContact O-C 3.57Å; N291-Y309 WeakPolarHBondContact O-CA 3.47Å; I292-Y309 HydrophobicContact CD1-CE1 4.44Å; I292-Y309 HydrophobicContact CG1-CD1 4.02Å; I292-Y309 HydrophobicContact CG1-CE1 3.72Å; I307-Y309 HydrophobicContact CB-CE2 3.86Å; I307-Y309 HydrophobicContact CG2-CD1 4.48Å; I307-Y309 HydrophobicContact CG2-CD2 4.15Å; I307-Y309 HydrophobicContact CG2-CE1 3.99Å; I307-Y309 HydrophobicContact CG2-CE2 3.6Å; Y309-G320 WeakPolarHBondContact O-CA 3.07Å; Y309-L321 WeakPolarHBondContact CA-O 3.41Å; Y309-L321 WeakPolarHBondContact CB-O 3.36Å; Y309-L321 HydrophobicContact CD2-CB 4.35Å; Y309-L321 HydrophobicContact CD2-CD2 4.27Å; Y309-L321 HydrophobicContact CD2-CG 4.25Å; Y309-L321 WeakPolarHBondContact CD2-O 3.32Å; Y309-L321 PolarHBondContact N-O 3.47Å; Y309-L321 PolarHBondContact O-N 2.87Å; Y309-L321 VanDerWaalsContact O-N 3.09Å; Y309-C323 HydrophobicContact CE2-CB 3.85Å; Y309-W325 PolarHBondContact OH-NE1 2.96Å; Y309-V343 WeakPolarHBondContact O-CB 3.32Å; Y309-V343 PolarHBondContact O-N 3.1Å
310	G	86.9	Confident	86.1	Confident	3 Å²	3	59.4 Å²	59.4	3%	0.031	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163	167.1	-177.7	0	0	0	0	0	112.3	N291	N291-G310 WeakPolarHBondContact CB-O 3.44Å; N291-G310 PolarHBondContact N-O 2.6Å; N291-G310 PolarHBondContact O-N 2.86Å; N291-G310 VanDerWaalsContact O-O 3.11Å
311	Q	84.8	Confident	86.4	Confident	28 Å²	28	52.1 Å²	52.1	13%	0.131	25%	0.253	C	S	.	.			trans	-99.6	133.9	177.3	-168.8	65.4	-0.1	0	0	110.5	N291 E313 N316 Q317 S342	N291-Q311 PolarHBondContact ND2-OE1 3.19Å; Q311-E313 HydrophobicContact CG-CB 4.14Å; Q311-E313 VanDerWaalsContact NE2-CD 3.31Å; Q311-E313 PolarHBondContact NE2-OE2 3.1Å; Q311-E313 VanDerWaalsContact NE2-OE2 3.08Å; Q311-N316 WeakPolarHBondContact CG-O 3.44Å; Q311-Q317 PolarHBondContact O-NE2 3.4Å; Q311-S342 PolarHBondContact N-OG 3.41Å
312	F	76.1	Confident	86.8	Confident	94 Å²	94	49.6 Å²	49.6	41%	0.412	24%	0.239	S	C	.	.			trans	-84.2	-18.6	-179.5	-58	-66.8	0	0	0	113.8	N291 I292 Y314 T598	N291-F312 HydrophobicContact CB-CD2 4.04Å; N291-F312 HydrophobicContact CB-CE2 3.55Å; N291-F312 HydrophobicContact CB-CZ 4.39Å; I292-F312 WeakPolarHBondContact O-CZ 3.34Å; F312-Y314 PolarHBondContact O-N 3.13Å; F312-T598 HydrophobicContact CE2-CG2 3.75Å; F312-T598 HydrophobicContact CZ-CG2 4Å
313	E	81.6	Confident	87.4	Confident	104 Å²	104	47.4 Å²	47.4	49%	0.486	23%	0.225	S	C	.	.			trans	-70.9	117.2	-179.7	-66.7	171.9	170.1	0	0	110.5	Q311 D315 N316 Q317	Q311-E313 HydrophobicContact CG-CB 4.14Å; Q311-E313 VanDerWaalsContact NE2-CD 3.31Å; Q311-E313 PolarHBondContact NE2-OE2 3.1Å; Q311-E313 VanDerWaalsContact NE2-OE2 3.08Å; E313-D315 PolarHBondContact O-N 3.07Å; E313-N316 HydrophobicContact CB-CB 4.23Å; E313-N316 PolarHBondContact O-N 3.34Å; E313-Q317 PolarHBondContact O-NE2 2.97Å
314	Y	80.1	Confident	87.9	Confident	132 Å²	132	45.2 Å²	45.2	52%	0.518	21%	0.213	S	C	.	.	S	Bend	trans	-59.6	-35.6	-178.8	-78.8	-100.1	0	0	0	112.5	F312 F361 P391 N417	F312-Y314 PolarHBondContact O-N 3.13Å; Y314-F361 AromaticContact CD1-CE2 3.78Å; Y314-F361 HydrophobicContact CD1-CE2 3.78Å; Y314-F361 AromaticContact CD1-CZ 3.38Å; Y314-F361 HydrophobicContact CD1-CZ 3.38Å; Y314-F361 AromaticContact CE1-CE2 3.78Å; Y314-F361 HydrophobicContact CE1-CE2 3.78Å; Y314-F361 AromaticContact CE1-CZ 3.76Å; Y314-F361 HydrophobicContact CE1-CZ 3.76Å; Y314-F361 HydrophobicContact CG-CE2 4.23Å; Y314-F361 AromaticContact CG-CZ 3.97Å; Y314-F361 HydrophobicContact CG-CZ 3.97Å; Y314-P391 HydrophobicContact CE1-CG 4.4Å; Y314-N417 PolarHBondContact OH-ND2 3.13Å; Y314-N417 VanDerWaalsContact OH-ND2 3.16Å
315	D	78.4	Confident	88	Confident	171 Å²	171	43.9 Å²	43.9	91%	0.914	21%	0.206	S	C	*	.	S	Bend	trans	-80.2	-25.2	-175.8	-60.1	-35.7	0	0	0	113.2	E313	E313-D315 PolarHBondContact O-N 3.07Å
316	N	81.3	Confident	87.8	Confident	78 Å²	78	43.9 Å²	43.9	42%	0.417	21%	0.207	S	C	.	.	S	Bend	trans	-119.2	64.8	-172.9	-170.5	17.8	0	0	0	111.3	Q311 E313	Q311-N316 WeakPolarHBondContact CG-O 3.44Å; E313-N316 HydrophobicContact CB-CB 4.23Å; E313-N316 PolarHBondContact O-N 3.34Å
317	Q	81.6	Confident	87.3	Confident	57 Å²	57	44.4 Å²	44.4	27%	0.266	21%	0.209	S	C	.	.			trans	-77.3	129.2	178.5	-71.7	-62.6	-44.9	0	0	111.5	Q311 E313 S342 F361	Q311-Q317 PolarHBondContact O-NE2 3.4Å; E313-Q317 PolarHBondContact O-NE2 2.97Å; Q317-S342 PolarHBondContact OE1-OG 2.99Å; Q317-F361 VanDerWaalsContact CD-CD1 3.41Å; Q317-F361 VanDerWaalsContact CD-CG 3.49Å; Q317-F361 HydrophobicContact CG-CD1 3.64Å; Q317-F361 HydrophobicContact CG-CE1 3.56Å; Q317-F361 HydrophobicContact CG-CG 4.25Å; Q317-F361 HydrophobicContact CG-CZ 4.1Å; Q317-F361 VanDerWaalsContact OE1-CG 3.27Å
318	Q	86.2	Confident	86.9	Confident	83 Å²	83	49.2 Å²	49.2	39%	0.388	23%	0.23	S	C	.	.			trans	-113.9	175.5	178.8	-62.8	-171.7	3.3	0	0	110.9	S341 S342	Q318-S341 CarbonylContact O-C 3.6Å; Q318-S342 PolarHBondContact O-N 3.02Å; Q318-S342 PolarHBondContact O-OG 3.36Å
319	K	91.4	Very high	86.6	Confident	154 Å²	154	49.8 Å²	49.8	67%	0.67	23%	0.233	S	C	*	.			trans	-64.5	141.5	168.1	-67.3	-178.3	-178.6	178.7	0	108.5	T339	K319-T339 WeakPolarHBondContact CB-O 3.48Å
320	G	91.3	Very high	86.3	Confident	2 Å²	2	50.1 Å²	50.1	2%	0.021	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	164.4	175	0	0	0	0	0	111.4	Y309 T339 S341	Y309-G320 WeakPolarHBondContact O-CA 3.07Å; G320-T339 WeakPolarHBondContact CA-OG1 2.88Å; G320-T339 PolarHBondContact N-O 3.42Å; G320-T339 PolarHBondContact N-OG1 3.11Å; G320-T339 PolarHBondContact O-N 3.2Å; G320-T339 PolarHBondContact O-OG1 3.28Å; G320-S341 PolarHBondContact N-O 3.08Å
321	L	93.6	Very high	86.2	Confident	7 Å²	7	54.4 Å²	54.4	4%	0.037	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	137.9	176.1	177.5	71.3	0	0	0	108.6	M286 T287 Y309 Y336 T338	M286-L321 HydrophobicContact CB-CD2 4.28Å; M286-L321 HydrophobicContact CG-CD2 3.89Å; M286-L321 HydrophobicContact SD-CD1 4.17Å; M286-L321 HydrophobicContact SD-CD2 4.07Å; T287-L321 HydrophobicContact CG2-CD2 3.92Å; Y309-L321 WeakPolarHBondContact CA-O 3.41Å; Y309-L321 WeakPolarHBondContact CB-O 3.36Å; Y309-L321 HydrophobicContact CD2-CB 4.35Å; Y309-L321 HydrophobicContact CD2-CD2 4.27Å; Y309-L321 HydrophobicContact CD2-CG 4.25Å; Y309-L321 WeakPolarHBondContact CD2-O 3.32Å; Y309-L321 PolarHBondContact N-O 3.47Å; Y309-L321 PolarHBondContact O-N 2.87Å; Y309-L321 VanDerWaalsContact O-N 3.09Å; L321-Y336 HydrophobicContact CD1-CD2 4.34Å; L321-T338 HydrophobicContact CD1-CG2 4.28Å
322	V	94.7	Very high	86.4	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	128.8	171	179.8	0	0	0	0	107.4	I307 Y336 Y337 T339 V343 I346 L356 V358	I307-V322 WeakPolarHBondContact O-CA 3.41Å; V322-Y336 CarbonylContact O-C 3.58Å; V322-Y336 WeakPolarHBondContact O-CA 3.49Å; V322-Y337 HydrophobicContact CB-CD2 4.33Å; V322-Y337 HydrophobicContact CG1-CD2 4.3Å; V322-Y337 PolarHBondContact N-O 3.14Å; V322-Y337 PolarHBondContact O-N 2.95Å; V322-T339 HydrophobicContact CG2-CG2 4.31Å; V322-V343 HydrophobicContact CG2-CG1 4.35Å; V322-V343 HydrophobicContact CG2-CG2 3.6Å; V322-I346 HydrophobicContact CG1-CD1 3.8Å; V322-I346 HydrophobicContact CG2-CD1 4.14Å; V322-L356 HydrophobicContact CG1-CD2 3.82Å; V322-V358 HydrophobicContact CG1-CG2 4.35Å; V322-V358 HydrophobicContact CG2-CB 4.43Å; V322-V358 HydrophobicContact CG2-CG1 3.64Å; V322-V358 HydrophobicContact CG2-CG2 3.89Å
323	C	93	Very high	87.1	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	133.1	175.6	-61.3	0	0	0	0	110.5	A306 I307 Y309 W325 P333 R335	A306-C323 CarbonylContact C-O 3.52Å; A306-C323 WeakPolarHBondContact CA-O 3.38Å; I307-C323 PolarHBondContact N-O 3.46Å; I307-C323 PolarHBondContact O-N 2.77Å; Y309-C323 HydrophobicContact CE2-CB 3.85Å; C323-W325 HydrophobicContact CB-CZ2 4.49Å; C323-P333 HydrophobicContact CB-CB 3.78Å; C323-P333 HydrophobicContact CB-CG 4.23Å; C323-R335 WeakPolarHBondContact CA-O 3.47Å
324	C	93.2	Very high	87.5	Confident	2 Å²	2	50.3 Å²	50.3	1%	0.014	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	105.3	167.6	-60.1	0	0	0	0	108.4	I304 L305 P333 E334 R335	I304-C324 HydrophobicContact CG2-CB 4.41Å; L305-C324 CarbonylContact O-C 3.57Å; L305-C324 WeakPolarHBondContact O-CA 3.45Å; C324-P333 CarbonylContact O-C 3.25Å; C324-E334 PolarHBondContact O-N 3.44Å; C324-R335 HydrophobicContact CB-CB 4.06Å; C324-R335 PolarHBondContact N-O 3.01Å; C324-R335 PolarHBondContact O-N 2.92Å
325	W	90.5	Very high	88.1	Confident	2 Å²	2	47.4 Å²	47.4	1%	0.008	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	152.1	177.4	-64.1	96.8	0	0	0	110.9	F282 C284 T287 I304 L305 Y309 C323 I330 P333	F282-W325 HydrophobicContact CB-CD2 3.68Å; F282-W325 HydrophobicContact CB-CE3 3.53Å; F282-W325 HydrophobicContact CB-CG 4.31Å; F282-W325 HydrophobicContact CB-CH2 3.96Å; F282-W325 HydrophobicContact CB-CZ2 4.12Å; F282-W325 HydrophobicContact CB-CZ3 3.67Å; F282-W325 HydrophobicContact CD1-CB 4.15Å; F282-W325 HydrophobicContact CD1-CD2 4.11Å; F282-W325 AromaticContact CD1-CE3 3.67Å; F282-W325 HydrophobicContact CD1-CE3 3.67Å; F282-W325 HydrophobicContact CD1-CG 4.35Å; F282-W325 HydrophobicContact CD1-CZ3 4.34Å; F282-W325 HydrophobicContact CG-CD2 4.2Å; F282-W325 HydrophobicContact CG-CE3 4.05Å; F282-W325 HydrophobicContact CG-CG 4.44Å; F282-W325 VanDerWaalsContact O-CZ2 3.3Å; F282-W325 WeakPolarHBondContact O-CZ2 3.31Å; C284-W325 HydrophobicContact CB-CH2 4.04Å; T287-W325 HydrophobicContact CG2-CZ2 4.11Å; I304-W325 VanDerWaalsContact CA-O 3.32Å; I304-W325 WeakPolarHBondContact CA-O 3.35Å; L305-W325 PolarHBondContact N-O 2.8Å; L305-W325 PolarHBondContact O-N 2.77Å; Y309-W325 PolarHBondContact OH-NE1 2.96Å; C323-W325 HydrophobicContact CB-CZ2 4.49Å; W325-I330 WeakPolarHBondContact CZ3-O 3.09Å; W325-P333 HydrophobicContact CD2-CB 4.04Å; W325-P333 HydrophobicContact CE3-CB 4.11Å; W325-P333 HydrophobicContact CH2-CB 4.5Å; W325-P333 HydrophobicContact CH2-CG 4.48Å; W325-P333 HydrophobicContact CZ2-CB 4.39Å; W325-P333 HydrophobicContact CZ3-CB 4.35Å
326	S	87.7	Confident	88.8	Confident	3 Å²	3	44.7 Å²	44.7	2%	0.021	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	138	179.2	177.1	0	0	0	0	109.7	N303 K328 L329 E334	N303-S326 CarbonylContact O-C 3.5Å; N303-S326 VanDerWaalsContact O-CA 3.32Å; N303-S326 WeakPolarHBondContact O-CA 3.44Å; S326-K328 PolarHBondContact O-N 2.77Å; S326-K328 PolarHBondContact OG-N 3.45Å; S326-L329 CarbonylContact O-C 3.53Å; S326-L329 VanDerWaalsContact O-C 3.25Å; S326-L329 PolarHBondContact O-N 2.84Å; S326-E334 VanDerWaalsContact CB-CG 3.47Å; S326-E334 WeakPolarHBondContact CB-OE1 3.33Å; S326-E334 PolarHBondContact OG-OE1 3.17Å
327	L	82	Confident	89.4	Confident	11 Å²	11	41.3 Å²	41.3	6%	0.058	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-12.9	172.1	-60.8	-176.5	0	0	0	112.9	Y176 W280 F282 N303 L616	Y176-L327 HydrophobicContact CE1-CD1 4.02Å; W280-L327 HydrophobicContact CE3-CD2 4.02Å; W280-L327 HydrophobicContact CZ3-CD2 3.99Å; F282-L327 HydrophobicContact CZ-CD2 3.78Å; N303-L327 HydrophobicContact CB-CB 4.21Å; N303-L327 HydrophobicContact CB-CD1 4.43Å; N303-L327 HydrophobicContact CB-CG 4.31Å; N303-L327 PolarHBondContact O-N 3.18Å; L327-L616 HydrophobicContact CD2-CD2 4.23Å
328	K	85.3	Confident	90	Very high	101 Å²	101	42.9 Å²	42.9	44%	0.439	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-17.7	174.7	-58.5	-178.8	-179.7	-179.7	0	113.4	R162 I166 S326	R162-K328 HydrophobicContact CG-CB 4.45Å; I166-K328 HydrophobicContact CD1-CB 4.41Å; I166-K328 HydrophobicContact CD1-CG 4.47Å; S326-K328 PolarHBondContact O-N 2.77Å; S326-K328 PolarHBondContact OG-N 3.45Å
329	L	87	Confident	90.4	Very high	13 Å²	13	39 Å²	39	7%	0.068	18%	0.177	C	C	.	.	B	Isolated β-bridge	trans	-141.5	96.9	-179.3	-173.9	66.3	0	0	0	109.3	E161 R162 N165 S326 Y332 E334	E161-L329 HydrophobicContact CG-CD1 3.97Å; R162-L329 HydrophobicContact CG-CB 4.5Å; N165-L329 HydrophobicContact CB-CD1 4.2Å; S326-L329 CarbonylContact O-C 3.53Å; S326-L329 VanDerWaalsContact O-C 3.25Å; S326-L329 PolarHBondContact O-N 2.84Å; L329-Y332 WeakPolarHBondContact CD2-O 3.34Å; L329-Y332 VanDerWaalsContact CG-O 3.31Å; L329-Y332 WeakPolarHBondContact CG-O 3.34Å; L329-E334 HydrophobicContact CD2-CG 4.43Å
330	I	85.5	Confident	90.5	Very high	7 Å²	7	35.7 Å²	35.7	4%	0.036	17%	0.171	C	C	.	.	S	Bend	trans	-87.1	-31	-171.6	-65.5	147.5	0	0	0	112.5	N165 Y169 W280 F282 W325	N165-I330 PolarHBondContact OD1-N 2.79Å; N165-I330 VanDerWaalsContact OD1-N 3.12Å; Y169-I330 HydrophobicContact CD1-CD1 4.25Å; Y169-I330 HydrophobicContact CD2-CB 4.32Å; Y169-I330 HydrophobicContact CD2-CD1 3.35Å; Y169-I330 HydrophobicContact CD2-CG1 4.43Å; Y169-I330 HydrophobicContact CE2-CB 4.11Å; Y169-I330 HydrophobicContact CE2-CD1 4Å; Y169-I330 HydrophobicContact CE2-CG2 4.46Å; Y169-I330 HydrophobicContact CG-CD1 3.52Å; W280-I330 HydrophobicContact CB-CG2 4.36Å; W280-I330 HydrophobicContact CG-CD1 4.07Å; W280-I330 HydrophobicContact CG-CG1 4.31Å; W280-I330 VanDerWaalsContact NE1-CD1 3.29Å; F282-I330 HydrophobicContact CD1-CB 4.25Å; F282-I330 HydrophobicContact CD1-CG1 4.42Å; F282-I330 HydrophobicContact CD1-CG2 3.97Å; F282-I330 HydrophobicContact CE1-CB 4.15Å; F282-I330 HydrophobicContact CE1-CG1 3.81Å; F282-I330 HydrophobicContact CE1-CG2 4.1Å; F282-I330 HydrophobicContact CZ-CG1 4.43Å; W325-I330 WeakPolarHBondContact CZ3-O 3.09Å
331	E	85.6	Confident	90.7	Very high	94 Å²	94	36.1 Å²	36.1	44%	0.439	17%	0.173	S	C	.	.	S	Bend	trans	-81.8	-26.2	-170.4	-67.6	-179.9	176.3	0	0	113.5	L168 Y169	L168-E331 WeakPolarHBondContact CD2-OE1 2.81Å; Y169-E331 HydrophobicContact CE2-CG 4.27Å; Y169-E331 PolarHBondContact OH-OE1 2.94Å
332	Y	88.1	Confident	90.7	Very high	94 Å²	94	35.9 Å²	35.9	37%	0.369	17%	0.172	S	C	.	.	S	Bend	trans	-139.6	142.4	179.9	-146.7	-98	0	0	0	110.4	C284 M286 L329 Y336	C284-Y332 HydrophobicContact CB-CD2 4.22Å; C284-Y332 HydrophobicContact CB-CE2 4.48Å; M286-Y332 HydrophobicContact CE-CE1 3.78Å; M286-Y332 HydrophobicContact CE-CE2 3.91Å; M286-Y332 WeakPolarHBondContact CE-OH 3.06Å; L329-Y332 WeakPolarHBondContact CD2-O 3.34Å; L329-Y332 VanDerWaalsContact CG-O 3.31Å; L329-Y332 WeakPolarHBondContact CG-O 3.34Å; Y332-Y336 HydrophobicContact CE1-CD1 4.4Å; Y332-Y336 HydrophobicContact CE1-CE1 4.25Å
333	P	90.4	Very high	90.8	Very high	5 Å²	5	35.9 Å²	35.9	3%	0.032	17%	0.172	C	C	.	.			trans	-68.1	143.4	177.1	29.4	-36.3	0	0	0	110.8	M286 C323 C324 W325 R335	M286-P333 HydrophobicContact SD-CG 4.38Å; C323-P333 HydrophobicContact CB-CB 3.78Å; C323-P333 HydrophobicContact CB-CG 4.23Å; C324-P333 CarbonylContact O-C 3.25Å; W325-P333 HydrophobicContact CD2-CB 4.04Å; W325-P333 HydrophobicContact CE3-CB 4.11Å; W325-P333 HydrophobicContact CH2-CB 4.5Å; W325-P333 HydrophobicContact CH2-CG 4.48Å; W325-P333 HydrophobicContact CZ2-CB 4.39Å; W325-P333 HydrophobicContact CZ3-CB 4.35Å; P333-R335 VanDerWaalsContact C-N 3.26Å; P333-R335 PolarHBondContact O-N 3.21Å
334	E	90.1	Very high	90.9	Very high	40 Å²	40	36.9 Å²	36.9	19%	0.187	18%	0.178	C	C	.	.	S	Bend	trans	-66.4	-32.5	177.4	-71.4	-159.1	170.1	0	0	112.2	R162 C324 S326 L329	R162-E334 IonicContact CZ-OE1 3.96Å; R162-E334 IonicContact NE-OE1 2.9Å; R162-E334 PolarHBondContact NE-OE1 3.49Å; R162-E334 IonicContact NH2-OE1 3.04Å; R162-E334 PolarHBondContact NH2-OE1 2.93Å; R162-E334 IonicContact NH2-OE2 3.43Å; R162-E334 PolarHBondContact NH2-OE2 3.44Å; C324-E334 PolarHBondContact O-N 3.44Å; S326-E334 VanDerWaalsContact CB-CG 3.47Å; S326-E334 WeakPolarHBondContact CB-OE1 3.33Å; S326-E334 PolarHBondContact OG-OE1 3.17Å; L329-E334 HydrophobicContact CD2-CG 4.43Å
335	R	92.2	Very high	91	Very high	72 Å²	72	36.8 Å²	36.8	27%	0.272	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	145.3	174.5	-63	-70.2	-178	-102.8	4.8	109.4	C323 C324 P333 Y337 V370	C323-R335 WeakPolarHBondContact CA-O 3.47Å; C324-R335 HydrophobicContact CB-CB 4.06Å; C324-R335 PolarHBondContact N-O 3.01Å; C324-R335 PolarHBondContact O-N 2.92Å; P333-R335 VanDerWaalsContact C-N 3.26Å; P333-R335 PolarHBondContact O-N 3.21Å; R335-Y337 HydrophobicContact CB-CE2 4.28Å; R335-V370 HydrophobicContact CB-CG1 4.22Å; R335-V370 HydrophobicContact CG-CG1 3.77Å; R335-V370 PolarHBondContact NE-O 3.16Å
336	Y	93.5	Very high	91.3	Very high	113 Å²	113	36.9 Å²	36.9	44%	0.443	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	149.3	170.8	68.1	-86.7	0	0	0	110.7	M286 L321 V322 Y332	M286-Y336 HydrophobicContact CE-CD1 4.03Å; M286-Y336 HydrophobicContact CE-CD2 4.34Å; M286-Y336 HydrophobicContact CE-CE1 4.14Å; M286-Y336 HydrophobicContact CE-CE2 4.45Å; M286-Y336 HydrophobicContact CE-CG 4.14Å; M286-Y336 HydrophobicContact SD-CD1 4.35Å; M286-Y336 HydrophobicContact SD-CD2 4.05Å; M286-Y336 HydrophobicContact SD-CG 3.9Å; L321-Y336 HydrophobicContact CD1-CD2 4.34Å; V322-Y336 CarbonylContact O-C 3.58Å; V322-Y336 WeakPolarHBondContact O-CA 3.49Å; Y332-Y336 HydrophobicContact CE1-CD1 4.4Å; Y332-Y336 HydrophobicContact CE1-CE1 4.25Å
337	Y	94.9	Very high	91.7	Very high	7 Å²	7	37 Å²	37	3%	0.027	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	129.4	179.7	-52.2	-76	0	0	0	109.6	V322 R335 Y368 V370 D374	V322-Y337 HydrophobicContact CB-CD2 4.33Å; V322-Y337 HydrophobicContact CG1-CD2 4.3Å; V322-Y337 PolarHBondContact N-O 3.14Å; V322-Y337 PolarHBondContact O-N 2.95Å; R335-Y337 HydrophobicContact CB-CE2 4.28Å; Y337-Y368 AromaticContact CD1-CD1 3.53Å; Y337-Y368 HydrophobicContact CD1-CD1 3.53Å; Y337-Y368 AromaticContact CD1-CE1 3.57Å; Y337-Y368 HydrophobicContact CD1-CE1 3.57Å; Y337-Y368 HydrophobicContact CD1-CG 4.16Å; Y337-Y368 HydrophobicContact CD2-CD1 4.35Å; Y337-Y368 HydrophobicContact CD2-CD2 4.31Å; Y337-Y368 HydrophobicContact CD2-CG 4.18Å; Y337-Y368 AromaticContact CE1-CD1 3.73Å; Y337-Y368 HydrophobicContact CE1-CD1 3.73Å; Y337-Y368 HydrophobicContact CE1-CE1 4.24Å; Y337-Y368 HydrophobicContact CE1-CG 4.26Å; Y337-Y368 HydrophobicContact CE2-CG 4.28Å; Y337-Y368 AromaticContact CG-CD1 3.87Å; Y337-Y368 HydrophobicContact CG-CD1 3.87Å; Y337-Y368 HydrophobicContact CG-CD2 4.33Å; Y337-Y368 AromaticContact CG-CE1 3.81Å; Y337-Y368 HydrophobicContact CG-CE1 3.81Å; Y337-Y368 HydrophobicContact CG-CE2 4.27Å; Y337-Y368 HydrophobicContact CG-CG 4.12Å; Y337-V370 HydrophobicContact CE2-CG2 4.45Å; Y337-V370 WeakPolarHBondContact OH-CA 3.45Å; Y337-D374 WeakPolarHBondContact CE1-O 3.3Å
338	T	94.7	Very high	92.3	Very high	90 Å²	90	37 Å²	37	55%	0.552	18%	0.18	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-92.4	123.9	174.3	55.6	0	0	0	0	109.5	L321	L321-T338 HydrophobicContact CD1-CG2 4.28Å
339	T	94.4	Very high	92.7	Very high	3 Å²	3	32.2 Å²	32.2	2%	0.018	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	150.4	-179.4	58.5	0	0	0	0	111.2	K319 G320 V322 S341 V343 V358 M360 F366	K319-T339 WeakPolarHBondContact CB-O 3.48Å; G320-T339 WeakPolarHBondContact CA-OG1 2.88Å; G320-T339 PolarHBondContact N-O 3.42Å; G320-T339 PolarHBondContact N-OG1 3.11Å; G320-T339 PolarHBondContact O-N 3.2Å; G320-T339 PolarHBondContact O-OG1 3.28Å; V322-T339 HydrophobicContact CG2-CG2 4.31Å; T339-S341 PolarHBondContact O-N 2.7Å; T339-S341 PolarHBondContact OG1-O 3.37Å; T339-V343 HydrophobicContact CG2-CG2 4.13Å; T339-V343 WeakPolarHBondContact OG1-CG2 3.3Å; T339-V358 HydrophobicContact CG2-CG1 4.26Å; T339-M360 HydrophobicContact CG2-SD 4.41Å; T339-F366 HydrophobicContact CG2-CD2 4.42Å
340	P	93.5	Very high	92.8	Very high	84 Å²	84	34.2 Å²	34.2	55%	0.545	17%	0.17	S	C	.	.	S	Bend	trans	-67.6	-16.9	-179.1	26.9	-35.5	0	0	0	113.9	M360 F366	P340-M360 HydrophobicContact CG-SD 3.9Å; P340-F366 HydrophobicContact CG-CE2 4.18Å; P340-F366 HydrophobicContact CG-CZ 4.08Å
341	S	94.2	Very high	93	Very high	11 Å²	11	36.8 Å²	36.8	8%	0.077	18%	0.183	C	C	.	.	S	Bend	trans	-141.5	156	-179.8	179.7	0	0	0	0	109.5	Q318 G320 T339 V343 N362	Q318-S341 CarbonylContact O-C 3.6Å; G320-S341 PolarHBondContact N-O 3.08Å; T339-S341 PolarHBondContact O-N 2.7Å; T339-S341 PolarHBondContact OG1-O 3.37Å; S341-V343 PolarHBondContact O-N 3.28Å; S341-N362 PolarHBondContact OG-N 3.02Å
342	S	94.6	Very high	93.2	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.007	18%	0.175	C	C	.	.			trans	-46.1	132.1	177	-60.5	0	0	0	0	112	Q311 Q317 Q318 M360 F361	Q311-S342 PolarHBondContact N-OG 3.41Å; Q317-S342 PolarHBondContact OE1-OG 2.99Å; Q318-S342 PolarHBondContact O-N 3.02Å; Q318-S342 PolarHBondContact O-OG 3.36Å; S342-M360 CarbonylContact O-C 3.52Å; S342-M360 VanDerWaalsContact O-CA 3.32Å; S342-M360 WeakPolarHBondContact O-CA 3.44Å; S342-F361 PolarHBondContact O-N 3.31Å
343	V	95.7	Very high	93.3	Very high	1 Å²	1	31 Å²	31	1%	0.006	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	137.2	173	-177.9	0	0	0	0	108.5	S293 Y309 V322 T339 S341 I346 V358	S293-V343 WeakPolarHBondContact CB-O 3.39Å; S293-V343 PolarHBondContact OG-O 2.98Å; Y309-V343 WeakPolarHBondContact O-CB 3.32Å; Y309-V343 PolarHBondContact O-N 3.1Å; V322-V343 HydrophobicContact CG2-CG1 4.35Å; V322-V343 HydrophobicContact CG2-CG2 3.6Å; T339-V343 HydrophobicContact CG2-CG2 4.13Å; T339-V343 WeakPolarHBondContact OG1-CG2 3.3Å; S341-V343 PolarHBondContact O-N 3.28Å; V343-I346 HydrophobicContact CG1-CD1 4.03Å; V343-I346 HydrophobicContact CG1-CG1 3.78Å; V343-V358 HydrophobicContact CB-CG1 4.45Å; V343-V358 HydrophobicContact CG1-CG1 3.76Å; V343-V358 HydrophobicContact CG2-CG1 3.93Å
344	T	95.1	Very high	93.4	Very high	21 Å²	21	32.1 Å²	32.1	13%	0.129	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	-25.6	-178.5	50.1	0	0	0	0	112.9	G359 F361 V392	T344-G359 PolarHBondContact N-O 2.9Å; T344-G359 PolarHBondContact OG1-O 3.11Å; T344-F361 HydrophobicContact CG2-CB 3.92Å; T344-F361 HydrophobicContact CG2-CD2 4.31Å; T344-V392 WeakPolarHBondContact CB-O 3.05Å; T344-V392 PolarHBondContact OG1-O 3.47Å
345	A	96.3	Very high	93.6	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	148.2	177.9	0	0	0	0	0	111.1	G359 V392 L395	A345-G359 PolarHBondContact N-O 2.63Å; A345-G359 PolarHBondContact O-N 2.85Å; A345-V392 HydrophobicContact CB-CG1 4.42Å; A345-L395 HydrophobicContact CB-CB 4.39Å; A345-L395 HydrophobicContact CB-CD1 4.24Å; A345-L395 HydrophobicContact CB-CG 4.07Å
346	I	96.5	Very high	93.8	Very high	3 Å²	3	28 Å²	28	2%	0.015	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	147.2	175.1	-65.3	-168	0	0	0	110	D294 A296 A306 V322 V343 L356 A357	D294-I346 PolarHBondContact OD2-N 3Å; A296-I346 HydrophobicContact CB-CG2 4.21Å; A306-I346 HydrophobicContact CB-CG2 4.03Å; V322-I346 HydrophobicContact CG1-CD1 3.8Å; V322-I346 HydrophobicContact CG2-CD1 4.14Å; V343-I346 HydrophobicContact CG1-CD1 4.03Å; V343-I346 HydrophobicContact CG1-CG1 3.78Å; I346-L356 HydrophobicContact CG2-CD1 3.42Å; I346-L356 VanDerWaalsContact CG2-CD1 3.42Å; I346-L356 HydrophobicContact CG2-CG 4.25Å; I346-A357 WeakPolarHBondContact CA-O 3.46Å
347	G	95.8	Very high	94	Very high	7 Å²	7	22.6 Å²	22.6	7%	0.072	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	134.6	171	0	0	0	0	0	113.3	A357 W397	G347-A357 PolarHBondContact N-O 2.95Å; G347-A357 PolarHBondContact O-N 3.13Å; G347-W397 PolarHBondContact O-NE1 3.33Å
348	W	95.4	Very high	94.1	Very high	10 Å²	10	22.3 Å²	22.3	4%	0.038	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	141.4	169.7	-72.6	101.7	0	0	0	111.4	A296 W297 N298 K299 I304 A306 A353 L356 V370	A296-W348 VanDerWaalsContact O-CD1 3.29Å; A296-W348 PolarHBondContact O-NE1 2.97Å; W297-W348 VanDerWaalsContact C-CD1 3.44Å; N298-W348 HydrophobicContact CB-CD2 4.29Å; N298-W348 HydrophobicContact CB-CZ2 4.31Å; N298-W348 VanDerWaalsContact ND2-CZ3 3.34Å; N298-W348 WeakPolarHBondContact ND2-CZ3 3.1Å; K299-W348 HydrophobicContact CG-CB 4.43Å; I304-W348 HydrophobicContact CG2-CH2 4.41Å; I304-W348 HydrophobicContact CG2-CZ2 4Å; A306-W348 HydrophobicContact CB-CZ2 3.84Å; A306-W348 VanDerWaalsContact CB-NE1 3.35Å; W348-A353 VanDerWaalsContact CE3-O 3.28Å; W348-A353 WeakPolarHBondContact CZ3-O 3.49Å; W348-L356 HydrophobicContact CD2-CD1 3.68Å; W348-L356 HydrophobicContact CE3-CB 4.17Å; W348-L356 HydrophobicContact CE3-CD1 4.08Å; W348-L356 HydrophobicContact CG-CD1 4.05Å; W348-L356 HydrophobicContact CH2-CB 4.4Å; W348-L356 HydrophobicContact CH2-CD1 4.45Å; W348-L356 HydrophobicContact CZ2-CD1 4.07Å; W348-L356 HydrophobicContact CZ2-CD2 4.46Å; W348-L356 HydrophobicContact CZ3-CB 4.05Å; W348-L356 HydrophobicContact CZ3-CD1 4.44Å; W348-V370 HydrophobicContact CH2-CB 4.16Å; W348-V370 HydrophobicContact CH2-CG1 4.19Å; W348-V370 HydrophobicContact CH2-CG2 3.64Å; W348-V370 HydrophobicContact CZ3-CB 4.29Å; W348-V370 HydrophobicContact CZ3-CG2 3.72Å
349	S	94.2	Very high	94.2	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.102	C	C	.	.			trans	-66.5	138.4	166	162.5	0	0	0	0	110.3	H352 L355 E410	S349-H352 VanDerWaalsContact CB-O 3.25Å; S349-H352 WeakPolarHBondContact CB-O 3.32Å; S349-H352 WeakPolarHBondContact OG-CA 3.46Å; S349-H352 PolarHBondContact OG-N 2.9Å; S349-H352 PolarHBondContact OG-O 3.29Å; S349-L355 PolarHBondContact N-O 2.64Å; S349-L355 VanDerWaalsContact N-O 3.08Å; S349-E410 WeakPolarHBondContact CB-OE2 3.28Å; S349-E410 PolarHBondContact OG-OE2 3.15Å
350	N	88.7	Confident	94.3	Very high	56 Å²	56	17.9 Å²	17.9	30%	0.299	10%	0.101	S	C	.	.	S	Bend	trans	-82	-36.8	177.8	-53.4	-69.7	0	0	0	111.5	K299 W397 F399 E410	K299-N350 WeakPolarHBondContact CE-OD1 3Å; K299-N350 WeakPolarHBondContact CG-OD1 3.35Å; N350-W397 PolarHBondContact ND2-O 3.18Å; N350-F399 HydrophobicContact CB-CE1 4.43Å; N350-F399 HydrophobicContact CB-CE2 4.07Å; N350-F399 HydrophobicContact CB-CZ 3.6Å; N350-E410 WeakPolarHBondContact CA-OE1 3.42Å; N350-E410 VanDerWaalsContact CB-OE1 3.23Å; N350-E410 WeakPolarHBondContact CB-OE1 3.45Å; N350-E410 PolarHBondContact N-OE1 2.65Å; N350-E410 PolarHBondContact N-OE2 3.1Å; N350-E410 PolarHBondContact ND2-OE1 3.04Å
351	I	89.2	Confident	94.4	Very high	60 Å²	60	15.6 Å²	15.6	31%	0.308	8%	0.083	S	C	.	.	S	Bend	trans	-81	-48	179.3	-59.9	-175.5	0	0	0	110.8	F399 L408 E410	I351-F399 HydrophobicContact CD1-CD1 3.87Å; I351-F399 HydrophobicContact CD1-CE1 3.76Å; I351-F399 HydrophobicContact CG1-CD1 4.02Å; I351-F399 HydrophobicContact CG1-CE1 3.39Å; I351-F399 HydrophobicContact CG1-CZ 4.31Å; I351-L408 HydrophobicContact CD1-CB 4.08Å; I351-E410 HydrophobicContact CD1-CB 3.84Å; I351-E410 HydrophobicContact CG1-CB 4.17Å; I351-E410 PolarHBondContact N-OE2 2.77Å; I351-E410 VanDerWaalsContact N-OE2 3.13Å
352	H	90.5	Very high	94.3	Very high	60 Å²	60	17.5 Å²	17.5	28%	0.278	9%	0.092	S	C	.	.	S	Bend	trans	-109.6	76.7	-176.5	-59.6	-50.5	0	0	0	108.5	S349 N354 L355	S349-H352 VanDerWaalsContact CB-O 3.25Å; S349-H352 WeakPolarHBondContact CB-O 3.32Å; S349-H352 WeakPolarHBondContact OG-CA 3.46Å; S349-H352 PolarHBondContact OG-N 2.9Å; S349-H352 PolarHBondContact OG-O 3.29Å; H352-N354 PolarHBondContact O-N 3.35Å; H352-N354 PolarHBondContact O-OD1 2.89Å; H352-L355 HydrophobicContact CB-CD1 3.78Å; H352-L355 HydrophobicContact CB-CG 3.92Å; H352-L355 WeakPolarHBondContact O-CB 3.34Å; H352-L355 PolarHBondContact O-N 2.96Å
353	A	90.4	Very high	94.3	Very high	7 Å²	7	17.4 Å²	17.4	6%	0.058	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-2.9	-174	0	0	0	0	0	115.1	N298 Q300 W348	N298-A353 PolarHBondContact ND2-O 3Å; Q300-A353 HydrophobicContact CB-CB 3.51Å; W348-A353 VanDerWaalsContact CE3-O 3.28Å; W348-A353 WeakPolarHBondContact CZ3-O 3.49Å
354	N	92.4	Very high	94.3	Very high	29 Å²	29	17.5 Å²	17.5	16%	0.155	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-15.2	169.1	62.5	-69.4	0	0	0	113.9	H352 D369 V370 R371	H352-N354 PolarHBondContact O-N 3.35Å; H352-N354 PolarHBondContact O-OD1 2.89Å; N354-D369 WeakPolarHBondContact CB-OD1 3.25Å; N354-D369 PolarHBondContact ND2-OD1 3.2Å; N354-D369 PolarHBondContact ND2-OD2 3.16Å; N354-V370 WeakPolarHBondContact O-CG2 3.47Å; N354-V370 PolarHBondContact O-N 3.18Å; N354-R371 HydrophobicContact CB-CG 3.73Å; N354-R371 VanDerWaalsContact ND2-CZ 3.3Å; N354-R371 PolarHBondContact ND2-NE 2.84Å; N354-R371 PolarHBondContact ND2-NH2 2.87Å
355	L	94.5	Very high	94.3	Very high	25 Å²	25	16.5 Å²	16.5	13%	0.131	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	125.6	-179.3	-60.4	-178.9	0	0	0	111.2	S349 H352 V367 Y368 D369 W397	S349-L355 PolarHBondContact N-O 2.64Å; S349-L355 VanDerWaalsContact N-O 3.08Å; H352-L355 HydrophobicContact CB-CD1 3.78Å; H352-L355 HydrophobicContact CB-CG 3.92Å; H352-L355 WeakPolarHBondContact O-CB 3.34Å; H352-L355 PolarHBondContact O-N 2.96Å; L355-V367 HydrophobicContact CB-CG1 4.33Å; L355-V367 HydrophobicContact CD2-CG1 4.48Å; L355-Y368 WeakPolarHBondContact CA-O 2.82Å; L355-D369 HydrophobicContact CD2-CB 4.07Å; L355-W397 HydrophobicContact CB-CH2 4.12Å; L355-W397 HydrophobicContact CB-CZ2 4.33Å; L355-W397 HydrophobicContact CD1-CH2 4.28Å
356	L	96.4	Very high	94.3	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	115.5	179.2	-177.2	64.4	0	0	0	110	A306 V322 I346 W348 V358 V367 Y368 V370	A306-L356 HydrophobicContact CB-CD1 3.87Å; A306-L356 HydrophobicContact CB-CD2 4.11Å; V322-L356 HydrophobicContact CG1-CD2 3.82Å; I346-L356 HydrophobicContact CG2-CD1 3.42Å; I346-L356 VanDerWaalsContact CG2-CD1 3.42Å; I346-L356 HydrophobicContact CG2-CG 4.25Å; W348-L356 HydrophobicContact CD2-CD1 3.68Å; W348-L356 HydrophobicContact CE3-CB 4.17Å; W348-L356 HydrophobicContact CE3-CD1 4.08Å; W348-L356 HydrophobicContact CG-CD1 4.05Å; W348-L356 HydrophobicContact CH2-CB 4.4Å; W348-L356 HydrophobicContact CH2-CD1 4.45Å; W348-L356 HydrophobicContact CZ2-CD1 4.07Å; W348-L356 HydrophobicContact CZ2-CD2 4.46Å; W348-L356 HydrophobicContact CZ3-CB 4.05Å; W348-L356 HydrophobicContact CZ3-CD1 4.44Å; L356-V358 HydrophobicContact CD2-CG2 4.46Å; L356-V358 HydrophobicContact CG-CG2 4.24Å; L356-V367 CarbonylContact O-C 3.54Å; L356-V367 WeakPolarHBondContact O-CA 3.37Å; L356-Y368 PolarHBondContact N-O 2.82Å; L356-Y368 PolarHBondContact O-N 3.48Å; L356-V370 HydrophobicContact CB-CG2 3.82Å; L356-V370 HydrophobicContact CD2-CG2 4.34Å
357	A	97.1	Very high	94.2	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	138.3	172.2	0	0	0	0	0	110.7	I346 G347 F366 V367 L395 W397 L412	I346-A357 WeakPolarHBondContact CA-O 3.46Å; G347-A357 PolarHBondContact N-O 2.95Å; G347-A357 PolarHBondContact O-N 3.13Å; A357-F366 CarbonylContact C-O 3.57Å; A357-F366 WeakPolarHBondContact CA-O 3.3Å; A357-V367 HydrophobicContact CB-CG2 4.34Å; A357-L395 HydrophobicContact CB-CD1 4.1Å; A357-W397 HydrophobicContact CB-CZ2 3.75Å; A357-L412 HydrophobicContact CB-CD1 3.79Å; A357-L412 HydrophobicContact CB-CD2 3.72Å; A357-L412 HydrophobicContact CB-CG 4.43Å
358	V	97.6	Very high	94.2	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	120.7	-177	-178.8	0	0	0	0	108.5	V322 T339 V343 L356 V365 F366 Y368	V322-V358 HydrophobicContact CG1-CG2 4.35Å; V322-V358 HydrophobicContact CG2-CB 4.43Å; V322-V358 HydrophobicContact CG2-CG1 3.64Å; V322-V358 HydrophobicContact CG2-CG2 3.89Å; T339-V358 HydrophobicContact CG2-CG1 4.26Å; V343-V358 HydrophobicContact CB-CG1 4.45Å; V343-V358 HydrophobicContact CG1-CG1 3.76Å; V343-V358 HydrophobicContact CG2-CG1 3.93Å; L356-V358 HydrophobicContact CD2-CG2 4.46Å; L356-V358 HydrophobicContact CG-CG2 4.24Å; V358-V365 CarbonylContact O-C 3.45Å; V358-V365 WeakPolarHBondContact O-CA 3.38Å; V358-F366 HydrophobicContact CB-CB 4.46Å; V358-F366 PolarHBondContact N-O 2.84Å; V358-F366 PolarHBondContact O-N 2.86Å; V358-Y368 HydrophobicContact CB-CE2 4.38Å; V358-Y368 HydrophobicContact CG2-CD2 3.86Å; V358-Y368 HydrophobicContact CG2-CE2 3.99Å
359	G	96.7	Very high	94.2	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	136.7	178.1	0	0	0	0	0	109.7	T344 A345	T344-G359 PolarHBondContact N-O 2.9Å; T344-G359 PolarHBondContact OG1-O 3.11Å; A345-G359 PolarHBondContact N-O 2.63Å; A345-G359 PolarHBondContact O-N 2.85Å
360	M	96.1	Very high	94.1	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	162.1	-176.6	-69.5	173.3	-86.3	0	0	112.5	T339 P340 S342 N362 G363 V364 F366 V392	T339-M360 HydrophobicContact CG2-SD 4.41Å; P340-M360 HydrophobicContact CG-SD 3.9Å; S342-M360 CarbonylContact O-C 3.52Å; S342-M360 VanDerWaalsContact O-CA 3.32Å; S342-M360 WeakPolarHBondContact O-CA 3.44Å; M360-N362 WeakPolarHBondContact CB-OD1 3.32Å; M360-N362 PolarHBondContact O-N 2.89Å; M360-G363 PolarHBondContact O-N 3.22Å; M360-G363 VanDerWaalsContact O-N 3.14Å; M360-V364 HydrophobicContact CE-CB 3.48Å; M360-V364 VanDerWaalsContact CE-CB 3.48Å; M360-V364 HydrophobicContact CE-CG1 3.39Å; M360-V364 PolarHBondContact N-O 3.23Å; M360-F366 HydrophobicContact CE-CB 4.37Å; M360-F366 HydrophobicContact CE-CD1 3.52Å; M360-F366 HydrophobicContact CE-CD2 3.64Å; M360-F366 HydrophobicContact CE-CE1 3.63Å; M360-F366 HydrophobicContact CE-CE2 3.74Å; M360-F366 HydrophobicContact CE-CG 3.55Å; M360-F366 HydrophobicContact CE-CZ 3.75Å; M360-F366 HydrophobicContact SD-CD2 4.4Å; M360-F366 HydrophobicContact SD-CE2 4.28Å; M360-V392 PolarHBondContact O-N 2.69Å
361	F	94.8	Very high	94.2	Very high	37 Å²	37	23.9 Å²	23.9	16%	0.162	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-31.6	176.9	-176.5	-88.3	0	0	0	113.3	Y314 Q317 S342 T344 G363 P391	Y314-F361 AromaticContact CD1-CE2 3.78Å; Y314-F361 HydrophobicContact CD1-CE2 3.78Å; Y314-F361 AromaticContact CD1-CZ 3.38Å; Y314-F361 HydrophobicContact CD1-CZ 3.38Å; Y314-F361 AromaticContact CE1-CE2 3.78Å; Y314-F361 HydrophobicContact CE1-CE2 3.78Å; Y314-F361 AromaticContact CE1-CZ 3.76Å; Y314-F361 HydrophobicContact CE1-CZ 3.76Å; Y314-F361 HydrophobicContact CG-CE2 4.23Å; Y314-F361 AromaticContact CG-CZ 3.97Å; Y314-F361 HydrophobicContact CG-CZ 3.97Å; Q317-F361 VanDerWaalsContact CD-CD1 3.41Å; Q317-F361 VanDerWaalsContact CD-CG 3.49Å; Q317-F361 HydrophobicContact CG-CD1 3.64Å; Q317-F361 HydrophobicContact CG-CE1 3.56Å; Q317-F361 HydrophobicContact CG-CG 4.25Å; Q317-F361 HydrophobicContact CG-CZ 4.1Å; Q317-F361 VanDerWaalsContact OE1-CG 3.27Å; S342-F361 PolarHBondContact O-N 3.31Å; T344-F361 HydrophobicContact CG2-CB 3.92Å; T344-F361 HydrophobicContact CG2-CD2 4.31Å; F361-G363 PolarHBondContact O-N 2.76Å; F361-P391 HydrophobicContact CD1-CG 4.37Å; F361-P391 HydrophobicContact CD2-CB 3.97Å; F361-P391 HydrophobicContact CD2-CG 3.46Å; F361-P391 VanDerWaalsContact CD2-CG 3.46Å; F361-P391 HydrophobicContact CE1-CG 4.39Å; F361-P391 HydrophobicContact CE2-CB 4.39Å; F361-P391 HydrophobicContact CE2-CG 3.48Å; F361-P391 VanDerWaalsContact CE2-CG 3.48Å; F361-P391 HydrophobicContact CG-CB 4.43Å; F361-P391 HydrophobicContact CG-CG 3.94Å; F361-P391 HydrophobicContact CZ-CG 3.98Å; F361-P391 WeakPolarHBondContact O-CA 3.45Å; F361-P391 WeakPolarHBondContact O-CD 3.16Å; F361-P391 WeakPolarHBondContact O-CG 3.46Å
362	N	92.8	Very high	94	Very high	50 Å²	50	26.1 Å²	26.1	27%	0.267	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	7.6	177.8	70.1	-0.8	0	0	0	114.7	S341 M360 V364 R387	S341-N362 PolarHBondContact OG-N 3.02Å; M360-N362 WeakPolarHBondContact CB-OD1 3.32Å; M360-N362 PolarHBondContact O-N 2.89Å; N362-V364 VanDerWaalsContact C-N 3.32Å; N362-V364 PolarHBondContact O-N 2.93Å; N362-V364 WeakPolarHBondContact OD1-CB 3.12Å; N362-V364 WeakPolarHBondContact OD1-CG2 3.49Å; N362-V364 PolarHBondContact OD1-N 3.13Å; N362-R387 PolarHBondContact O-NE 3.04Å; N362-R387 PolarHBondContact O-NH2 2.91Å
363	G	93.5	Very high	93.7	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	13%	0.13	C	C	.	.	S	Bend	trans	82	2.6	179.6	0	0	0	0	0	115.5	M360 F361 H388 G390	M360-G363 PolarHBondContact O-N 3.22Å; M360-G363 VanDerWaalsContact O-N 3.14Å; F361-G363 PolarHBondContact O-N 2.76Å; G363-H388 WeakPolarHBondContact CA-O 3.43Å; G363-H388 PolarHBondContact O-N 3.22Å; G363-G390 WeakPolarHBondContact CA-O 3.49Å; G363-G390 PolarHBondContact N-O 3.36Å
364	V	95.5	Very high	93.7	Very high	2 Å²	2	31.9 Å²	31.9	1%	0.012	15%	0.15	C	C	.	.			trans	-83.6	142.7	175.3	-178.9	0	0	0	0	110.1	M360 N362 F366 T381 T382 R387	M360-V364 HydrophobicContact CE-CB 3.48Å; M360-V364 VanDerWaalsContact CE-CB 3.48Å; M360-V364 HydrophobicContact CE-CG1 3.39Å; M360-V364 PolarHBondContact N-O 3.23Å; N362-V364 VanDerWaalsContact C-N 3.32Å; N362-V364 PolarHBondContact O-N 2.93Å; N362-V364 WeakPolarHBondContact OD1-CB 3.12Å; N362-V364 WeakPolarHBondContact OD1-CG2 3.49Å; N362-V364 PolarHBondContact OD1-N 3.13Å; V364-F366 HydrophobicContact CG1-CD1 3.67Å; V364-F366 HydrophobicContact CG1-CE1 3.47Å; V364-F366 VanDerWaalsContact CG1-CE1 3.47Å; V364-F366 HydrophobicContact CG1-CZ 4.43Å; V364-T381 WeakPolarHBondContact CA-OG1 3.25Å; V364-T382 HydrophobicContact CG1-CG2 3.7Å; V364-T382 HydrophobicContact CG2-CG2 4.17Å; V364-R387 VanDerWaalsContact CG2-NE 3.28Å
365	V	96.3	Very high	93.6	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	127.8	171.8	-177.9	0	0	0	0	108.2	V358 D380 T381 V392 L395 L412 F430	V358-V365 CarbonylContact O-C 3.45Å; V358-V365 WeakPolarHBondContact O-CA 3.38Å; V365-D380 WeakPolarHBondContact O-CA 3.29Å; V365-T381 HydrophobicContact CB-CG2 3.94Å; V365-T381 PolarHBondContact N-OG1 2.94Å; V365-T381 PolarHBondContact O-N 2.88Å; V365-V392 HydrophobicContact CG2-CG1 4.39Å; V365-V392 HydrophobicContact CG2-CG2 3.99Å; V365-L395 HydrophobicContact CG1-CD1 4.31Å; V365-L395 HydrophobicContact CG1-CD2 4.09Å; V365-L395 HydrophobicContact CG2-CD2 4.22Å; V365-L412 HydrophobicContact CG1-CD2 3.85Å; V365-F430 HydrophobicContact CB-CE1 4.46Å; V365-F430 HydrophobicContact CG1-CE1 4.46Å; V365-F430 HydrophobicContact CG1-CZ 4.13Å
366	F	96.1	Very high	93.5	Very high	16 Å²	16	40 Å²	40	7%	0.07	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	148.2	173	-76.4	-3.8	0	0	0	109.8	T339 P340 A357 V358 M360 V364 Y368 P377 D380 T382	T339-F366 HydrophobicContact CG2-CD2 4.42Å; P340-F366 HydrophobicContact CG-CE2 4.18Å; P340-F366 HydrophobicContact CG-CZ 4.08Å; A357-F366 CarbonylContact C-O 3.57Å; A357-F366 WeakPolarHBondContact CA-O 3.3Å; V358-F366 HydrophobicContact CB-CB 4.46Å; V358-F366 PolarHBondContact N-O 2.84Å; V358-F366 PolarHBondContact O-N 2.86Å; M360-F366 HydrophobicContact CE-CB 4.37Å; M360-F366 HydrophobicContact CE-CD1 3.52Å; M360-F366 HydrophobicContact CE-CD2 3.64Å; M360-F366 HydrophobicContact CE-CE1 3.63Å; M360-F366 HydrophobicContact CE-CE2 3.74Å; M360-F366 HydrophobicContact CE-CG 3.55Å; M360-F366 HydrophobicContact CE-CZ 3.75Å; M360-F366 HydrophobicContact SD-CD2 4.4Å; M360-F366 HydrophobicContact SD-CE2 4.28Å; V364-F366 HydrophobicContact CG1-CD1 3.67Å; V364-F366 HydrophobicContact CG1-CE1 3.47Å; V364-F366 VanDerWaalsContact CG1-CE1 3.47Å; V364-F366 HydrophobicContact CG1-CZ 4.43Å; F366-Y368 HydrophobicContact CB-CD2 4.46Å; F366-Y368 HydrophobicContact CB-CE2 3.9Å; F366-Y368 HydrophobicContact CD2-CE2 4.15Å; F366-Y368 AromaticContact CD2-CZ 3.96Å; F366-Y368 WeakPolarHBondContact CD2-OH 3.41Å; F366-P377 HydrophobicContact CB-CB 3.99Å; F366-P377 HydrophobicContact CD1-CB 4.48Å; F366-P377 HydrophobicContact CD1-CG 4.17Å; F366-P377 HydrophobicContact CD2-CB 4.28Å; F366-P377 HydrophobicContact CD2-CG 4.04Å; F366-P377 HydrophobicContact CE1-CG 4.33Å; F366-P377 HydrophobicContact CE2-CG 4.21Å; F366-P377 HydrophobicContact CG-CB 4.03Å; F366-P377 HydrophobicContact CG-CG 4.01Å; F366-P377 HydrophobicContact CZ-CG 4.35Å; F366-D380 HydrophobicContact CD1-CB 3.31Å; F366-D380 HydrophobicContact CE1-CB 3.37Å; F366-D380 HydrophobicContact CG-CB 4.44Å; F366-T382 HydrophobicContact CE1-CG2 3.93Å; F366-T382 HydrophobicContact CZ-CG2 4.46Å
367	V	95.3	Very high	93.3	Very high	2 Å²	2	41.6 Å²	41.6	1%	0.012	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	121.9	168.9	-177	0	0	0	0	109.2	L355 L356 A357 V378 I379 W397 L412 F430	L355-V367 HydrophobicContact CB-CG1 4.33Å; L355-V367 HydrophobicContact CD2-CG1 4.48Å; L356-V367 CarbonylContact O-C 3.54Å; L356-V367 WeakPolarHBondContact O-CA 3.37Å; A357-V367 HydrophobicContact CB-CG2 4.34Å; V367-V378 PolarHBondContact O-N 3.08Å; V367-I379 HydrophobicContact CB-CG2 3.73Å; V367-I379 HydrophobicContact CG2-CG2 4.03Å; V367-I379 PolarHBondContact N-O 2.97Å; V367-I379 PolarHBondContact O-N 2.8Å; V367-W397 HydrophobicContact CG1-CH2 4.22Å; V367-W397 HydrophobicContact CG1-CZ2 4.28Å; V367-L412 HydrophobicContact CG2-CD2 4.29Å; V367-F430 HydrophobicContact CG2-CE1 4.42Å; V367-F430 HydrophobicContact CG2-CE2 4.12Å; V367-F430 HydrophobicContact CG2-CZ 3.67Å
368	Y	95.2	Very high	93.1	Very high	4 Å²	4	45.6 Å²	45.6	2%	0.016	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	145.1	177.7	-66.9	-83.1	0	0	0	110.7	Y337 L355 L356 V358 F366 P377	Y337-Y368 AromaticContact CD1-CD1 3.53Å; Y337-Y368 HydrophobicContact CD1-CD1 3.53Å; Y337-Y368 AromaticContact CD1-CE1 3.57Å; Y337-Y368 HydrophobicContact CD1-CE1 3.57Å; Y337-Y368 HydrophobicContact CD1-CG 4.16Å; Y337-Y368 HydrophobicContact CD2-CD1 4.35Å; Y337-Y368 HydrophobicContact CD2-CD2 4.31Å; Y337-Y368 HydrophobicContact CD2-CG 4.18Å; Y337-Y368 AromaticContact CE1-CD1 3.73Å; Y337-Y368 HydrophobicContact CE1-CD1 3.73Å; Y337-Y368 HydrophobicContact CE1-CE1 4.24Å; Y337-Y368 HydrophobicContact CE1-CG 4.26Å; Y337-Y368 HydrophobicContact CE2-CG 4.28Å; Y337-Y368 AromaticContact CG-CD1 3.87Å; Y337-Y368 HydrophobicContact CG-CD1 3.87Å; Y337-Y368 HydrophobicContact CG-CD2 4.33Å; Y337-Y368 AromaticContact CG-CE1 3.81Å; Y337-Y368 HydrophobicContact CG-CE1 3.81Å; Y337-Y368 HydrophobicContact CG-CE2 4.27Å; Y337-Y368 HydrophobicContact CG-CG 4.12Å; L355-Y368 WeakPolarHBondContact CA-O 2.82Å; L356-Y368 PolarHBondContact N-O 2.82Å; L356-Y368 PolarHBondContact O-N 3.48Å; V358-Y368 HydrophobicContact CB-CE2 4.38Å; V358-Y368 HydrophobicContact CG2-CD2 3.86Å; V358-Y368 HydrophobicContact CG2-CE2 3.99Å; F366-Y368 HydrophobicContact CB-CD2 4.46Å; F366-Y368 HydrophobicContact CB-CE2 3.9Å; F366-Y368 HydrophobicContact CD2-CE2 4.15Å; F366-Y368 AromaticContact CD2-CZ 3.96Å; F366-Y368 WeakPolarHBondContact CD2-OH 3.41Å; Y368-P377 HydrophobicContact CD1-CB 4.18Å; Y368-P377 HydrophobicContact CE1-CB 3.93Å
369	D	94.1	Very high	92.8	Very high	17 Å²	17	47.3 Å²	47.3	9%	0.091	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	107.1	163.3	-176.8	-7.6	0	0	0	108.2	N354 L355 R371 K372 V378	N354-D369 WeakPolarHBondContact CB-OD1 3.25Å; N354-D369 PolarHBondContact ND2-OD1 3.2Å; N354-D369 PolarHBondContact ND2-OD2 3.16Å; L355-D369 HydrophobicContact CD2-CB 4.07Å; D369-R371 PolarHBondContact O-N 3.42Å; D369-R371 WeakPolarHBondContact OD1-CB 3.34Å; D369-R371 IonicContact OD1-CZ 3.62Å; D369-R371 PolarHBondContact OD1-N 3.31Å; D369-R371 IonicContact OD1-NE 3.75Å; D369-R371 PolarHBondContact OD1-NE 2.95Å; D369-R371 VanDerWaalsContact OD1-NE 3.14Å; D369-R371 IonicContact OD1-NH2 3.33Å; D369-R371 IonicContact OD2-CZ 2.77Å; D369-R371 IonicContact OD2-NE 3.7Å; D369-R371 IonicContact OD2-NH2 3.14Å; D369-R371 PolarHBondContact OD2-NH2 2.83Å; D369-K372 HydrophobicContact CB-CD 4.44Å; D369-K372 HydrophobicContact CB-CG 4.37Å; D369-K372 PolarHBondContact O-N 2.82Å; D369-V378 HydrophobicContact CB-CG2 3.61Å
370	V	92.7	Very high	92.6	Very high	21 Å²	21	50.4 Å²	50.4	13%	0.127	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-16.4	-170.7	-175.7	0	0	0	0	112.9	R335 Y337 W348 N354 L356 K372	R335-V370 HydrophobicContact CB-CG1 4.22Å; R335-V370 HydrophobicContact CG-CG1 3.77Å; R335-V370 PolarHBondContact NE-O 3.16Å; Y337-V370 HydrophobicContact CE2-CG2 4.45Å; Y337-V370 WeakPolarHBondContact OH-CA 3.45Å; W348-V370 HydrophobicContact CH2-CB 4.16Å; W348-V370 HydrophobicContact CH2-CG1 4.19Å; W348-V370 HydrophobicContact CH2-CG2 3.64Å; W348-V370 HydrophobicContact CZ3-CB 4.29Å; W348-V370 HydrophobicContact CZ3-CG2 3.72Å; N354-V370 WeakPolarHBondContact O-CG2 3.47Å; N354-V370 PolarHBondContact O-N 3.18Å; L356-V370 HydrophobicContact CB-CG2 3.82Å; L356-V370 HydrophobicContact CD2-CG2 4.34Å; V370-K372 VanDerWaalsContact C-N 3.35Å
371	R	90.6	Very high	92.5	Very high	172 Å²	172	50.4 Å²	50.4	65%	0.649	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-36	172.3	-64	174.4	-57.5	173.8	6.8	111.5	N354 D369	N354-R371 HydrophobicContact CB-CG 3.73Å; N354-R371 VanDerWaalsContact ND2-CZ 3.3Å; N354-R371 PolarHBondContact ND2-NE 2.84Å; N354-R371 PolarHBondContact ND2-NH2 2.87Å; D369-R371 PolarHBondContact O-N 3.42Å; D369-R371 WeakPolarHBondContact OD1-CB 3.34Å; D369-R371 IonicContact OD1-CZ 3.62Å; D369-R371 PolarHBondContact OD1-N 3.31Å; D369-R371 IonicContact OD1-NE 3.75Å; D369-R371 PolarHBondContact OD1-NE 2.95Å; D369-R371 VanDerWaalsContact OD1-NE 3.14Å; D369-R371 IonicContact OD1-NH2 3.33Å; D369-R371 IonicContact OD2-CZ 2.77Å; D369-R371 IonicContact OD2-NE 3.7Å; D369-R371 IonicContact OD2-NH2 3.14Å; D369-R371 PolarHBondContact OD2-NH2 2.83Å
372	K	85.8	Confident	92.3	Very high	106 Å²	106	50.4 Å²	50.4	46%	0.461	26%	0.262	S	S	.	.	S	Bend	trans	-77.9	128.7	176.1	-60.9	-174.3	-178.7	-176	0	108.3	D369 V370 D374	D369-K372 HydrophobicContact CB-CD 4.44Å; D369-K372 HydrophobicContact CB-CG 4.37Å; D369-K372 PolarHBondContact O-N 2.82Å; V370-K372 VanDerWaalsContact C-N 3.35Å; K372-D374 HydrophobicContact CB-CB 4.37Å; K372-D374 PolarHBondContact O-N 3.08Å; K372-D374 VanDerWaalsContact O-N 3.08Å
373	N	84	Confident	92	Very high	98 Å²	98	56.8 Å²	56.8	52%	0.524	29%	0.289	S	S	.	.			trans	-85.2	40.2	174.2	-165.9	49.6	0	0	0	111
374	D	89.7	Confident	91.8	Very high	90 Å²	90	58.2 Å²	58.2	48%	0.481	30%	0.301	S	S	.	.			trans	-96	133.5	-179.1	-65.8	-29.1	0	0	0	108.7	Y337 K372 L376	Y337-D374 WeakPolarHBondContact CE1-O 3.3Å; K372-D374 HydrophobicContact CB-CB 4.37Å; K372-D374 PolarHBondContact O-N 3.08Å; K372-D374 VanDerWaalsContact O-N 3.08Å; D374-L376 PolarHBondContact O-N 3.3Å
375	P	90.1	Very high	91.3	Very high	92 Å²	92	65.2 Å²	65.2	60%	0.597	34%	0.344	S	S	*	.	S	Bend	trans	-74.4	-14.7	179.9	30.1	-35	0	0	0	112.9
376	L	93.2	Very high	90.8	Very high	134 Å²	134	65.6 Å²	65.6	70%	0.702	35%	0.348	S	S	*	.	S	Bend	trans	-90.6	145.2	-177.5	-63.1	176.1	0	0	0	110.8	D374	D374-L376 PolarHBondContact O-N 3.3Å
377	P	93.3	Very high	90.6	Very high	32 Å²	32	68.9 Å²	68.9	21%	0.208	36%	0.36	C	S	.	.			trans	-66.2	152.5	173.5	30.6	-35.3	0	0	0	110.5	F366 Y368 I379 D380	F366-P377 HydrophobicContact CB-CB 3.99Å; F366-P377 HydrophobicContact CD1-CB 4.48Å; F366-P377 HydrophobicContact CD1-CG 4.17Å; F366-P377 HydrophobicContact CD2-CB 4.28Å; F366-P377 HydrophobicContact CD2-CG 4.04Å; F366-P377 HydrophobicContact CE1-CG 4.33Å; F366-P377 HydrophobicContact CE2-CG 4.21Å; F366-P377 HydrophobicContact CG-CB 4.03Å; F366-P377 HydrophobicContact CG-CG 4.01Å; F366-P377 HydrophobicContact CZ-CG 4.35Å; Y368-P377 HydrophobicContact CD1-CB 4.18Å; Y368-P377 HydrophobicContact CE1-CB 3.93Å; P377-I379 VanDerWaalsContact C-N 3.31Å; P377-D380 HydrophobicContact CG-CB 4.31Å
378	V	91.7	Very high	90.5	Very high	84 Å²	84	68.8 Å²	68.8	51%	0.509	36%	0.359	S	S	.	.	S	Bend	trans	-70.1	-35.2	172.8	176.2	0	0	0	0	110.4	V367 D369	V367-V378 PolarHBondContact O-N 3.08Å; D369-V378 HydrophobicContact CB-CG2 3.61Å
379	I	92.3	Very high	90.4	Very high	36 Å²	36	75.9 Å²	75.9	19%	0.185	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	148.3	178	-165.5	160.2	0	0	0	110.6	V367 P377 F430	V367-I379 HydrophobicContact CB-CG2 3.73Å; V367-I379 HydrophobicContact CG2-CG2 4.03Å; V367-I379 PolarHBondContact N-O 2.97Å; V367-I379 PolarHBondContact O-N 2.8Å; P377-I379 VanDerWaalsContact C-N 3.31Å; I379-F430 HydrophobicContact CD1-CB 3.59Å; I379-F430 HydrophobicContact CD1-CD2 4.48Å; I379-F430 HydrophobicContact CD1-CG 4.04Å; I379-F430 HydrophobicContact CG1-CB 3.89Å; I379-F430 HydrophobicContact CG1-CD1 4.1Å; I379-F430 HydrophobicContact CG1-CG 4.04Å
380	D	92.6	Very high	90.3	Very high	65 Å²	65	75.7 Å²	75.7	35%	0.348	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	160.1	-177.6	69.2	-30.9	0	0	0	114.3	V365 F366 P377 T382	V365-D380 WeakPolarHBondContact O-CA 3.29Å; F366-D380 HydrophobicContact CD1-CB 3.31Å; F366-D380 HydrophobicContact CE1-CB 3.37Å; F366-D380 HydrophobicContact CG-CB 4.44Å; P377-D380 HydrophobicContact CG-CB 4.31Å; D380-T382 WeakPolarHBondContact OD2-CB 3.23Å; D380-T382 WeakPolarHBondContact OD2-CG2 3.16Å; D380-T382 PolarHBondContact OD2-OG1 3.02Å
381	T	93	Very high	90.4	Very high	0 Å²	0	75.1 Å²	75.1	0%	0	40%	0.395	C	S	.	.			trans	-100.5	12.5	177.1	67.8	0	0	0	0	114.7	V364 V365 H383 A384 W424 F430	V364-T381 WeakPolarHBondContact CA-OG1 3.25Å; V365-T381 HydrophobicContact CB-CG2 3.94Å; V365-T381 PolarHBondContact N-OG1 2.94Å; V365-T381 PolarHBondContact O-N 2.88Å; T381-H383 PolarHBondContact O-N 2.77Å; T381-H383 VanDerWaalsContact O-N 3.17Å; T381-A384 HydrophobicContact CG2-CB 4.49Å; T381-A384 PolarHBondContact O-N 3.23Å; T381-A384 VanDerWaalsContact O-N 3.09Å; T381-W424 HydrophobicContact CG2-CD2 4.22Å; T381-W424 HydrophobicContact CG2-CE3 3.67Å; T381-W424 HydrophobicContact CG2-CH2 3.71Å; T381-W424 HydrophobicContact CG2-CZ2 4.26Å; T381-W424 HydrophobicContact CG2-CZ3 3.37Å; T381-F430 HydrophobicContact CG2-CD1 3.37Å; T381-F430 HydrophobicContact CG2-CE1 3.21Å; T381-F430 HydrophobicContact CG2-CG 4.47Å; T381-F430 HydrophobicContact CG2-CZ 4.19Å
382	T	90.3	Very high	90.7	Very high	38 Å²	38	67 Å²	67	23%	0.233	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-42.3	-173	50.2	0	0	0	0	113.1	V364 F366 D380 R387	V364-T382 HydrophobicContact CG1-CG2 3.7Å; V364-T382 HydrophobicContact CG2-CG2 4.17Å; F366-T382 HydrophobicContact CE1-CG2 3.93Å; F366-T382 HydrophobicContact CZ-CG2 4.46Å; D380-T382 WeakPolarHBondContact OD2-CB 3.23Å; D380-T382 WeakPolarHBondContact OD2-CG2 3.16Å; D380-T382 PolarHBondContact OD2-OG1 3.02Å; T382-R387 PolarHBondContact O-NH1 2.86Å
383	H	86.8	Confident	91.2	Very high	184 Å²	184	65.4 Å²	65.4	85%	0.852	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.4	12.3	179.4	-59.3	-63.7	0	0	0	113.4	T381	T381-H383 PolarHBondContact O-N 2.77Å; T381-H383 VanDerWaalsContact O-N 3.17Å
384	A	88.7	Confident	91.8	Very high	29 Å²	29	63.4 Å²	63.4	24%	0.24	34%	0.342	C	S	.	.			trans	-73.2	141	177.7	0	0	0	0	0	110.9	T381 G386 R387 W424	T381-A384 HydrophobicContact CG2-CB 4.49Å; T381-A384 PolarHBondContact O-N 3.23Å; T381-A384 VanDerWaalsContact O-N 3.09Å; A384-G386 VanDerWaalsContact C-N 3.31Å; A384-G386 PolarHBondContact O-N 3.35Å; A384-R387 WeakPolarHBondContact O-CB 3.16Å; A384-R387 PolarHBondContact O-N 3.39Å; A384-W424 HydrophobicContact CB-CZ3 4.28Å
385	T	85	Confident	92.1	Very high	149 Å²	149	59.4 Å²	59.4	91%	0.914	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-32.4	-177.7	50.2	0	0	0	0	113.3
386	G	85.6	Confident	92.4	Very high	8 Å²	8	57.7 Å²	57.7	8%	0.082	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.2	19.4	177.4	0	0	0	0	0	115.2	A384 H388 W424 S432	A384-G386 VanDerWaalsContact C-N 3.31Å; A384-G386 PolarHBondContact O-N 3.35Å; G386-H388 PolarHBondContact O-N 2.84Å; G386-W424 VanDerWaalsContact O-CH2 3.27Å; G386-W424 WeakPolarHBondContact O-CH2 3.4Å; G386-S432 VanDerWaalsContact CA-OG 3.28Å; G386-S432 WeakPolarHBondContact CA-OG 3.37Å; G386-S432 PolarHBondContact N-OG 3.16Å
387	R	92.3	Very high	92.4	Very high	86 Å²	86	51.8 Å²	51.8	33%	0.325	27%	0.273	S	S	.	.			trans	-50.6	139.3	177	-178.7	-175.5	160.2	-177.6	-3.3	111.3	N362 V364 T382 A384 R420	N362-R387 PolarHBondContact O-NE 3.04Å; N362-R387 PolarHBondContact O-NH2 2.91Å; V364-R387 VanDerWaalsContact CG2-NE 3.28Å; T382-R387 PolarHBondContact O-NH1 2.86Å; A384-R387 WeakPolarHBondContact O-CB 3.16Å; A384-R387 PolarHBondContact O-N 3.39Å; R387-R420 PolarHBondContact O-NH2 3.47Å
388	H	94.5	Very high	92.3	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.264	C	S	.	.			trans	-66.1	144.7	173.9	-75.1	-62.2	0	0	0	111.8	G363 G386 S414 S416 D418 T422	G363-H388 WeakPolarHBondContact CA-O 3.43Å; G363-H388 PolarHBondContact O-N 3.22Å; G386-H388 PolarHBondContact O-N 2.84Å; H388-S414 PolarHBondContact CD2-OG 2.72Å; H388-S414 PolarHBondContact NE2-OG 3.03Å; H388-S416 WeakPolarHBondContact ND1-CB 3.21Å; H388-D418 VanDerWaalsContact CA-OD2 3.29Å; H388-D418 WeakPolarHBondContact CA-OD2 3.26Å; H388-D418 IonicContact CE1-OD1 3.91Å; H388-D418 IonicContact CG-OD2 2.75Å; H388-D418 IonicContact ND1-OD1 2.91Å; H388-D418 PolarHBondContact ND1-OD1 2.85Å; H388-D418 IonicContact ND1-OD2 3.75Å; H388-D418 PolarHBondContact ND1-OD2 3.39Å; H388-T422 PolarHBondContact CE1-OG1 3.43Å
389	L	92.9	Very high	92.2	Very high	153 Å²	153	50.3 Å²	50.3	80%	0.801	26%	0.257	S	S	*	.	S	Bend	trans	-92.4	-10.3	-179	-65.4	175.5	0	0	0	112.9	D418	L389-D418 HydrophobicContact CB-CB 4.08Å; L389-D418 PolarHBondContact N-OD2 3.21Å
390	G	91.9	Very high	91.5	Very high	12 Å²	12	52.1 Å²	52.1	12%	0.124	26%	0.263	C	S	.	.	S	Bend	trans	-138.2	-176.9	177.1	0	0	0	0	0	112.6	G363 V392 S416	G363-G390 WeakPolarHBondContact CA-O 3.49Å; G363-G390 PolarHBondContact N-O 3.36Å; G390-V392 PolarHBondContact O-N 3.23Å; G390-S416 VanDerWaalsContact C-OG 3.26Å; G390-S416 PolarHBondContact O-OG 2.86Å
391	P	94.8	Very high	90.4	Very high	10 Å²	10	57.1 Å²	57.1	7%	0.065	29%	0.285	C	S	.	.			trans	-52.8	133.1	-177.5	-29.3	34.7	0	0	0	113.6	Y314 F361 R393 S416 N417	Y314-P391 HydrophobicContact CE1-CG 4.4Å; F361-P391 HydrophobicContact CD1-CG 4.37Å; F361-P391 HydrophobicContact CD2-CB 3.97Å; F361-P391 HydrophobicContact CD2-CG 3.46Å; F361-P391 VanDerWaalsContact CD2-CG 3.46Å; F361-P391 HydrophobicContact CE1-CG 4.39Å; F361-P391 HydrophobicContact CE2-CB 4.39Å; F361-P391 HydrophobicContact CE2-CG 3.48Å; F361-P391 VanDerWaalsContact CE2-CG 3.48Å; F361-P391 HydrophobicContact CG-CB 4.43Å; F361-P391 HydrophobicContact CG-CG 3.94Å; F361-P391 HydrophobicContact CZ-CG 3.98Å; F361-P391 WeakPolarHBondContact O-CA 3.45Å; F361-P391 WeakPolarHBondContact O-CD 3.16Å; F361-P391 WeakPolarHBondContact O-CG 3.46Å; P391-R393 PolarHBondContact O-N 2.95Å; P391-S416 VanDerWaalsContact O-CA 3.26Å; P391-S416 WeakPolarHBondContact O-CA 3.41Å; P391-S416 WeakPolarHBondContact O-CB 3.5Å; P391-S416 PolarHBondContact O-OG 3.24Å; P391-S416 VanDerWaalsContact O-OG 3.1Å; P391-N417 PolarHBondContact O-N 2.99Å; P391-N417 VanDerWaalsContact O-N 3.15Å
392	V	96.5	Very high	88.9	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	109.8	173.2	-177.4	0	0	0	0	108.7	T344 A345 M360 V365 G390 L395 V415	T344-V392 WeakPolarHBondContact CB-O 3.05Å; T344-V392 PolarHBondContact OG1-O 3.47Å; A345-V392 HydrophobicContact CB-CG1 4.42Å; M360-V392 PolarHBondContact O-N 2.69Å; V365-V392 HydrophobicContact CG2-CG1 4.39Å; V365-V392 HydrophobicContact CG2-CG2 3.99Å; G390-V392 PolarHBondContact O-N 3.23Å; V392-L395 HydrophobicContact CG1-CD2 4Å; V392-L395 HydrophobicContact CG1-CG 3.97Å; V392-V415 CarbonylContact C-O 3.58Å
393	R	95.6	Very high	87.3	Confident	74 Å²	74	62.7 Å²	62.7	28%	0.279	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	-32.2	-170.1	-66.4	-60.1	-54.5	-173.5	3.3	114.3	P391 V415 N417 A465 T466	P391-R393 PolarHBondContact O-N 2.95Å; R393-V415 HydrophobicContact CB-CG1 4.22Å; R393-V415 PolarHBondContact N-O 2.85Å; R393-N417 VanDerWaalsContact CD-OD1 3.25Å; R393-N417 WeakPolarHBondContact CD-OD1 3.44Å; R393-N417 WeakPolarHBondContact CG-OD1 3.26Å; R393-A465 WeakPolarHBondContact CG-O 3.33Å; R393-T466 WeakPolarHBondContact CB-O 3.34Å
394	K	96.7	Very high	85.9	Confident	56 Å²	56	62.1 Å²	62.1	24%	0.243	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	146.5	173.6	-160	66.4	-177.4	167.3	0	110.8	D294 S414 V415	D294-K394 IonicContact OD1-NZ 3.81Å; D294-K394 PolarHBondContact OD1-NZ 3.26Å; D294-K394 VanDerWaalsContact OD1-NZ 3.1Å; D294-K394 IonicContact OD2-NZ 2.63Å; D294-K394 PolarHBondContact OD2-NZ 2.7Å; D294-K394 VanDerWaalsContact OD2-NZ 3.15Å; K394-S414 WeakPolarHBondContact O-CA 3.44Å; K394-V415 HydrophobicContact CB-CG1 3.5Å; K394-V415 PolarHBondContact O-N 2.86Å
395	L	96.7	Very high	84.2	Confident	5 Å²	5	62.9 Å²	62.9	3%	0.026	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	133.6	172	-74.1	170.6	0	0	0	108.9	A345 A357 V365 V392 L412 V413	A345-L395 HydrophobicContact CB-CB 4.39Å; A345-L395 HydrophobicContact CB-CD1 4.24Å; A345-L395 HydrophobicContact CB-CG 4.07Å; A357-L395 HydrophobicContact CB-CD1 4.1Å; V365-L395 HydrophobicContact CG1-CD1 4.31Å; V365-L395 HydrophobicContact CG1-CD2 4.09Å; V365-L395 HydrophobicContact CG2-CD2 4.22Å; V392-L395 HydrophobicContact CG1-CD2 4Å; V392-L395 HydrophobicContact CG1-CG 3.97Å; L395-L412 HydrophobicContact CB-CD1 4.34Å; L395-L412 HydrophobicContact CD2-CD1 4.05Å; L395-L412 HydrophobicContact CD2-CD2 4.3Å; L395-L412 HydrophobicContact CD2-CG 4.26Å; L395-V413 WeakPolarHBondContact CA-O 3.46Å
396	Q	95.3	Very high	83	Confident	56 Å²	56	65.5 Å²	65.5	26%	0.262	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	132.6	176.4	-172.3	168	0.2	0	0	110.3	I398 V413 M468	Q396-I398 HydrophobicContact CG-CG2 4.24Å; Q396-V413 PolarHBondContact N-O 3.34Å; Q396-V413 PolarHBondContact O-N 2.91Å; Q396-M468 HydrophobicContact CB-CE 4.28Å
397	W	94.2	Very high	82	Confident	11 Å²	11	70.1 Å²	70.1	4%	0.042	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	130.8	171.4	-62.5	82	0	0	0	109.7	G347 N350 L355 A357 V367 E410 V411 L412 I426	G347-W397 PolarHBondContact O-NE1 3.33Å; N350-W397 PolarHBondContact ND2-O 3.18Å; L355-W397 HydrophobicContact CB-CH2 4.12Å; L355-W397 HydrophobicContact CB-CZ2 4.33Å; L355-W397 HydrophobicContact CD1-CH2 4.28Å; A357-W397 HydrophobicContact CB-CZ2 3.75Å; V367-W397 HydrophobicContact CG1-CH2 4.22Å; V367-W397 HydrophobicContact CG1-CZ2 4.28Å; W397-E410 HydrophobicContact CB-CG 4.06Å; W397-E410 WeakPolarHBondContact CB-OE1 3.47Å; W397-E410 HydrophobicContact CE3-CG 3.92Å; W397-V411 WeakPolarHBondContact CA-O 3.45Å; W397-L412 HydrophobicContact CD2-CB 4.36Å; W397-L412 HydrophobicContact CD2-CD1 3.97Å; W397-L412 HydrophobicContact CE3-CB 4.28Å; W397-L412 HydrophobicContact CG-CD1 4.06Å; W397-L412 HydrophobicContact CZ2-CD1 4.45Å; W397-I426 HydrophobicContact CE3-CD1 4.11Å; W397-I426 HydrophobicContact CH2-CD1 3.13Å; W397-I426 HydrophobicContact CZ2-CD1 4.27Å; W397-I426 HydrophobicContact CZ3-CD1 3.02Å
398	I	91.8	Very high	81	Confident	4 Å²	4	71 Å²	71	2%	0.021	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	146.5	-176.3	63.2	167.9	0	0	0	110.6	Q396 E410 V411 V413 F470 Y492	Q396-I398 HydrophobicContact CG-CG2 4.24Å; I398-E410 WeakPolarHBondContact O-CA 3.26Å; I398-E410 WeakPolarHBondContact O-CG 3.45Å; I398-V411 HydrophobicContact CG1-CB 4.08Å; I398-V411 HydrophobicContact CG1-CG1 4.49Å; I398-V411 PolarHBondContact N-O 2.77Å; I398-V411 PolarHBondContact O-N 3.24Å; I398-V413 HydrophobicContact CD1-CG2 3.48Å; I398-V413 VanDerWaalsContact CD1-CG2 3.48Å; I398-V413 HydrophobicContact CG1-CG2 3.86Å; I398-F470 HydrophobicContact CD1-CE1 4.02Å; I398-F470 HydrophobicContact CD1-CZ 4.14Å; I398-F470 HydrophobicContact CG2-CB 4.4Å; I398-F470 HydrophobicContact CG2-CD1 4.01Å; I398-F470 HydrophobicContact CG2-CD2 3.87Å; I398-F470 HydrophobicContact CG2-CE1 4.25Å; I398-F470 HydrophobicContact CG2-CE2 4.12Å; I398-F470 HydrophobicContact CG2-CG 3.82Å; I398-F470 HydrophobicContact CG2-CZ 4.31Å; I398-Y492 HydrophobicContact CD1-CD2 3.89Å; I398-Y492 HydrophobicContact CD1-CE2 3.41Å; I398-Y492 VanDerWaalsContact CD1-CE2 3.41Å
399	F	87.8	Confident	80.3	Confident	81 Å²	81	74 Å²	74	36%	0.355	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	135.5	171.4	-60.8	-85.3	0	0	0	110.1	N350 I351 L408 L475	N350-F399 HydrophobicContact CB-CE1 4.43Å; N350-F399 HydrophobicContact CB-CE2 4.07Å; N350-F399 HydrophobicContact CB-CZ 3.6Å; I351-F399 HydrophobicContact CD1-CD1 3.87Å; I351-F399 HydrophobicContact CD1-CE1 3.76Å; I351-F399 HydrophobicContact CG1-CD1 4.02Å; I351-F399 HydrophobicContact CG1-CE1 3.39Å; I351-F399 HydrophobicContact CG1-CZ 4.31Å; F399-L408 HydrophobicContact CD1-CB 4.48Å; F399-L475 HydrophobicContact CB-CD1 3.87Å; F399-L475 HydrophobicContact CD2-CD1 4.29Å
400	K	77.6	Confident	80.1	Confident	73 Å²	73	67.9 Å²	67.9	32%	0.317	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	118.5	169.5	-175.4	171.6	-177.7	167.8	0	108.4	S402 Q409 V411	K400-S402 PolarHBondContact O-N 3.34Å; K400-Q409 PolarHBondContact N-O 3.28Å; K400-Q409 PolarHBondContact O-N 2.86Å; K400-V411 HydrophobicContact CB-CG2 4.04Å; K400-V411 HydrophobicContact CD-CG2 4.19Å
401	E	69.8	Low	80.1	Confident	170 Å²	170	67.5 Å²	67.5	79%	0.794	35%	0.345	S	S	*	.			trans	-66.8	118.8	169.5	-167.5	168.9	-164.1	0	0	108.5
402	S	62.7	Low	80.1	Confident	29 Å²	29	67 Å²	67	20%	0.203	34%	0.342	C	S	.	.			trans	-96.5	111.6	179.1	170.4	0	0	0	0	108.4	K400 L404 A405	K400-S402 PolarHBondContact O-N 3.34Å; S402-L404 PolarHBondContact O-N 2.92Å; S402-A405 PolarHBondContact O-N 2.81Å; S402-A405 VanDerWaalsContact O-O 3.08Å
403	S	55.8	Low	80.1	Confident	127 Å²	127	67 Å²	67	89%	0.888	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-11.2	-177	-37.9	0	0	0	0	115
404	L	57.5	Low	80.1	Confident	172 Å²	172	63.5 Å²	63.5	90%	0.901	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.3	-8.3	-172.2	-76.1	152.6	0	0	0	114.3	S402	S402-L404 PolarHBondContact O-N 2.92Å
405	A	54.1	Low	80.1	Confident	44 Å²	44	60.8 Å²	60.8	36%	0.364	32%	0.317	S	S	.	.			trans	-149.4	133.5	-177.7	0	0	0	0	0	109.5	S402 N407	S402-A405 PolarHBondContact O-N 2.81Å; S402-A405 VanDerWaalsContact O-O 3.08Å; A405-N407 HydrophobicContact CB-CB 4.48Å; A405-N407 PolarHBondContact O-N 3.18Å
406	E	59.4	Low	80.1	Confident	204 Å²	204	60.6 Å²	60.6	95%	0.953	32%	0.316	S	S	*	.	S	Bend	trans	-58.1	-4.3	172.8	-64.1	-177.4	164.7	0	0	113.5	L408	E406-L408 PolarHBondContact O-N 3.47Å
407	N	64.4	Low	80	Confident	105 Å²	105	58.8 Å²	58.8	56%	0.561	31%	0.308	S	S	*	.	S	Bend	trans	-85.4	111.6	176.8	-65.3	-27.1	0	0	0	110.6	A405 Q409	A405-N407 HydrophobicContact CB-CB 4.48Å; A405-N407 PolarHBondContact O-N 3.18Å; N407-Q409 PolarHBondContact O-N 3.41Å
408	L	70.2	Confident	79.9	Confident	106 Å²	106	59.1 Å²	59.1	56%	0.555	31%	0.311	S	S	*	.			trans	-50.4	126.2	164.6	-69.8	166	0	0	0	109.5	I351 F399 E406	I351-L408 HydrophobicContact CD1-CB 4.08Å; F399-L408 HydrophobicContact CD1-CB 4.48Å; E406-L408 PolarHBondContact O-N 3.47Å
409	Q	80.8	Confident	80	Confident	63 Å²	63	59 Å²	59	29%	0.294	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	141.4	173	-65.9	-172.7	8.5	0	0	109	K400 N407	K400-Q409 PolarHBondContact N-O 3.28Å; K400-Q409 PolarHBondContact O-N 2.86Å; N407-Q409 PolarHBondContact O-N 3.41Å
410	E	88	Confident	80.3	Confident	24 Å²	24	57.1 Å²	57.1	11%	0.112	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	137.9	171.9	-155.1	173.2	-159.1	0	0	110.2	S349 N350 I351 W397 I398	S349-E410 WeakPolarHBondContact CB-OE2 3.28Å; S349-E410 PolarHBondContact OG-OE2 3.15Å; N350-E410 WeakPolarHBondContact CA-OE1 3.42Å; N350-E410 VanDerWaalsContact CB-OE1 3.23Å; N350-E410 WeakPolarHBondContact CB-OE1 3.45Å; N350-E410 PolarHBondContact N-OE1 2.65Å; N350-E410 PolarHBondContact N-OE2 3.1Å; N350-E410 PolarHBondContact ND2-OE1 3.04Å; I351-E410 HydrophobicContact CD1-CB 3.84Å; I351-E410 HydrophobicContact CG1-CB 4.17Å; I351-E410 PolarHBondContact N-OE2 2.77Å; I351-E410 VanDerWaalsContact N-OE2 3.13Å; W397-E410 HydrophobicContact CB-CG 4.06Å; W397-E410 WeakPolarHBondContact CB-OE1 3.47Å; W397-E410 HydrophobicContact CE3-CG 3.92Å; I398-E410 WeakPolarHBondContact O-CA 3.26Å; I398-E410 WeakPolarHBondContact O-CG 3.45Å
411	V	92.3	Very high	81.1	Confident	3 Å²	3	53.7 Å²	53.7	2%	0.018	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	141.8	179.9	172	0	0	0	0	108.1	W397 I398 K400 V413 Q423	W397-V411 WeakPolarHBondContact CA-O 3.45Å; I398-V411 HydrophobicContact CG1-CB 4.08Å; I398-V411 HydrophobicContact CG1-CG1 4.49Å; I398-V411 PolarHBondContact N-O 2.77Å; I398-V411 PolarHBondContact O-N 3.24Å; K400-V411 HydrophobicContact CB-CG2 4.04Å; K400-V411 HydrophobicContact CD-CG2 4.19Å; V411-V413 HydrophobicContact CG1-CG2 4.41Å; V411-Q423 HydrophobicContact CG1-CB 4.18Å; V411-Q423 HydrophobicContact CG1-CG 3.48Å; V411-Q423 VanDerWaalsContact CG1-CG 3.48Å; V411-Q423 VanDerWaalsContact CG1-NE2 3.27Å
412	L	94.8	Very high	82.3	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	130.7	172.6	178.1	65.1	0	0	0	109.7	A357 V365 V367 L395 W397 Q423 W424 I426 F430	A357-L412 HydrophobicContact CB-CD1 3.79Å; A357-L412 HydrophobicContact CB-CD2 3.72Å; A357-L412 HydrophobicContact CB-CG 4.43Å; V365-L412 HydrophobicContact CG1-CD2 3.85Å; V367-L412 HydrophobicContact CG2-CD2 4.29Å; L395-L412 HydrophobicContact CB-CD1 4.34Å; L395-L412 HydrophobicContact CD2-CD1 4.05Å; L395-L412 HydrophobicContact CD2-CD2 4.3Å; L395-L412 HydrophobicContact CD2-CG 4.26Å; W397-L412 HydrophobicContact CD2-CB 4.36Å; W397-L412 HydrophobicContact CD2-CD1 3.97Å; W397-L412 HydrophobicContact CE3-CB 4.28Å; W397-L412 HydrophobicContact CG-CD1 4.06Å; W397-L412 HydrophobicContact CZ2-CD1 4.45Å; L412-Q423 CarbonylContact O-C 3.56Å; L412-Q423 WeakPolarHBondContact O-CA 3.41Å; L412-W424 HydrophobicContact CB-CB 4.27Å; L412-W424 PolarHBondContact N-O 2.85Å; L412-W424 PolarHBondContact O-N 3.27Å; L412-I426 HydrophobicContact CB-CD1 4.37Å; L412-F430 HydrophobicContact CD2-CE2 4.21Å; L412-F430 HydrophobicContact CD2-CZ 4.02Å
413	V	95.6	Very high	83.8	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	135.7	173.2	-175.5	0	0	0	0	109.4	L395 Q396 I398 V411 V421 T422 Q423 L435 M468 F470	L395-V413 WeakPolarHBondContact CA-O 3.46Å; Q396-V413 PolarHBondContact N-O 3.34Å; Q396-V413 PolarHBondContact O-N 2.91Å; I398-V413 HydrophobicContact CD1-CG2 3.48Å; I398-V413 VanDerWaalsContact CD1-CG2 3.48Å; I398-V413 HydrophobicContact CG1-CG2 3.86Å; V411-V413 HydrophobicContact CG1-CG2 4.41Å; V413-V421 HydrophobicContact CG1-CG1 3.68Å; V413-T422 CarbonylContact C-O 3.53Å; V413-T422 WeakPolarHBondContact CA-O 3.48Å; V413-Q423 HydrophobicContact CG2-CB 4.39Å; V413-L435 HydrophobicContact CG1-CD1 3.76Å; V413-L435 HydrophobicContact CG2-CD1 3.95Å; V413-M468 HydrophobicContact CB-CE 4.17Å; V413-M468 HydrophobicContact CG1-CE 3.77Å; V413-M468 HydrophobicContact CG1-SD 3.83Å; V413-F470 HydrophobicContact CB-CE2 4.08Å; V413-F470 HydrophobicContact CB-CZ 4.31Å; V413-F470 HydrophobicContact CG1-CE2 3.94Å; V413-F470 HydrophobicContact CG1-CZ 4.07Å; V413-F470 HydrophobicContact CG2-CE2 4.31Å; V413-F470 HydrophobicContact CG2-CZ 4.1Å
414	S	96.8	Very high	85.6	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	153.8	176.3	59.3	0	0	0	0	111.5	H388 K394 V421 T422 W424	H388-S414 PolarHBondContact CD2-OG 2.72Å; H388-S414 PolarHBondContact NE2-OG 3.03Å; K394-S414 WeakPolarHBondContact O-CA 3.44Å; S414-V421 CarbonylContact O-C 3.52Å; S414-V421 WeakPolarHBondContact O-CA 3.46Å; S414-T422 PolarHBondContact N-O 2.49Å; S414-T422 PolarHBondContact O-N 2.74Å; S414-T422 PolarHBondContact OG-O 2.91Å; S414-W424 PolarHBondContact OG-NE1 2.96Å
415	V	96.6	Very high	87.1	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	139.4	170.5	63.8	0	0	0	0	109	V392 R393 K394 V421 A465 M468 V480	V392-V415 CarbonylContact C-O 3.58Å; R393-V415 HydrophobicContact CB-CG1 4.22Å; R393-V415 PolarHBondContact N-O 2.85Å; K394-V415 HydrophobicContact CB-CG1 3.5Å; K394-V415 PolarHBondContact O-N 2.86Å; V415-V421 HydrophobicContact CG2-CG2 4.19Å; V415-A465 HydrophobicContact CG2-CB 3.19Å; V415-M468 HydrophobicContact CB-CB 4.01Å; V415-M468 HydrophobicContact CB-CE 4.42Å; V415-M468 HydrophobicContact CB-SD 4.15Å; V415-M468 HydrophobicContact CG1-CB 3.68Å; V415-M468 HydrophobicContact CG1-CE 4.43Å; V415-M468 HydrophobicContact CG2-CB 4.46Å; V415-V480 HydrophobicContact CG2-CG1 4.16Å
416	S	96	Very high	88.5	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	157.6	-177.6	174.1	0	0	0	0	112.5	H388 G390 P391 D418 G419 R420 A465	H388-S416 WeakPolarHBondContact ND1-CB 3.21Å; G390-S416 VanDerWaalsContact C-OG 3.26Å; G390-S416 PolarHBondContact O-OG 2.86Å; P391-S416 VanDerWaalsContact O-CA 3.26Å; P391-S416 WeakPolarHBondContact O-CA 3.41Å; P391-S416 WeakPolarHBondContact O-CB 3.5Å; P391-S416 PolarHBondContact O-OG 3.24Å; P391-S416 VanDerWaalsContact O-OG 3.1Å; S416-D418 WeakPolarHBondContact CB-OD1 3.25Å; S416-D418 PolarHBondContact O-N 2.88Å; S416-D418 PolarHBondContact OG-N 2.9Å; S416-G419 PolarHBondContact O-N 3.19Å; S416-R420 PolarHBondContact N-O 2.76Å; S416-A465 CarbonylContact C-O 3.58Å; S416-A465 WeakPolarHBondContact O-CB 3.25Å
417	N	94.1	Very high	89.3	Confident	18 Å²	18	30 Å²	30	10%	0.096	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-8.1	169.1	-74.8	13.1	0	0	0	113.3	Y314 P391 R393 G419 F464 A465	Y314-N417 PolarHBondContact OH-ND2 3.13Å; Y314-N417 VanDerWaalsContact OH-ND2 3.16Å; P391-N417 PolarHBondContact O-N 2.99Å; P391-N417 VanDerWaalsContact O-N 3.15Å; R393-N417 VanDerWaalsContact CD-OD1 3.25Å; R393-N417 WeakPolarHBondContact CD-OD1 3.44Å; R393-N417 WeakPolarHBondContact CG-OD1 3.26Å; N417-G419 PolarHBondContact O-N 3.44Å; N417-F464 WeakPolarHBondContact O-CD1 3.24Å; N417-F464 WeakPolarHBondContact O-CE1 3.1Å; N417-A465 PolarHBondContact OD1-O 3.28Å
418	D	92.6	Very high	89.7	Confident	19 Å²	19	31.7 Å²	31.7	10%	0.102	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-5.2	169.7	64.8	13.7	0	0	0	113.6	H388 L389 S416 R420	H388-D418 VanDerWaalsContact CA-OD2 3.29Å; H388-D418 WeakPolarHBondContact CA-OD2 3.26Å; H388-D418 IonicContact CE1-OD1 3.91Å; H388-D418 IonicContact CG-OD2 2.75Å; H388-D418 IonicContact ND1-OD1 2.91Å; H388-D418 PolarHBondContact ND1-OD1 2.85Å; H388-D418 IonicContact ND1-OD2 3.75Å; H388-D418 PolarHBondContact ND1-OD2 3.39Å; L389-D418 HydrophobicContact CB-CB 4.08Å; L389-D418 PolarHBondContact N-OD2 3.21Å; S416-D418 WeakPolarHBondContact CB-OD1 3.25Å; S416-D418 PolarHBondContact O-N 2.88Å; S416-D418 PolarHBondContact OG-N 2.9Å; D418-R420 VanDerWaalsContact OD1-CB 3.29Å; D418-R420 WeakPolarHBondContact OD1-CB 3.43Å; D418-R420 PolarHBondContact OD1-N 2.92Å; D418-R420 IonicContact OD1-NE 2.71Å; D418-R420 IonicContact OD2-CZ 3.18Å; D418-R420 VanDerWaalsContact OD2-CZ 3.23Å; D418-R420 IonicContact OD2-NE 3.56Å; D418-R420 PolarHBondContact OD2-NE 3.45Å; D418-R420 IonicContact OD2-NH2 3.42Å; D418-R420 PolarHBondContact OD2-NH2 3.43Å
419	G	92	Very high	90	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.146	C	C	.	.	S	Bend	trans	84.7	9.2	-179.9	0	0	0	0	0	113.9	S416 N417 L438 A463	S416-G419 PolarHBondContact O-N 3.19Å; N417-G419 PolarHBondContact O-N 3.44Å; G419-L438 WeakPolarHBondContact O-CB 3.41Å; G419-L438 WeakPolarHBondContact O-CG 3.34Å; G419-L438 PolarHBondContact O-N 2.83Å; G419-A463 WeakPolarHBondContact CA-O 3.45Å
420	R	94.2	Very high	90	Very high	43 Å²	43	26.9 Å²	26.9	16%	0.162	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	139.5	177.1	-60.8	-177.6	-75.1	174.1	-2.1	111.2	R387 S416 D418 I437	R387-R420 PolarHBondContact O-NH2 3.47Å; S416-R420 PolarHBondContact N-O 2.76Å; D418-R420 VanDerWaalsContact OD1-CB 3.29Å; D418-R420 WeakPolarHBondContact OD1-CB 3.43Å; D418-R420 PolarHBondContact OD1-N 2.92Å; D418-R420 IonicContact OD1-NE 2.71Å; D418-R420 IonicContact OD2-CZ 3.18Å; D418-R420 VanDerWaalsContact OD2-CZ 3.23Å; D418-R420 IonicContact OD2-NE 3.56Å; D418-R420 PolarHBondContact OD2-NE 3.45Å; D418-R420 IonicContact OD2-NH2 3.42Å; D418-R420 PolarHBondContact OD2-NH2 3.43Å; R420-I437 HydrophobicContact CG-CG1 4.35Å
421	V	95.5	Very high	89.8	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	114.3	161.9	-177.6	0	0	0	0	106.5	V413 S414 V415 L435 M436 M468 Y478 V480	V413-V421 HydrophobicContact CG1-CG1 3.68Å; S414-V421 CarbonylContact O-C 3.52Å; S414-V421 WeakPolarHBondContact O-CA 3.46Å; V415-V421 HydrophobicContact CG2-CG2 4.19Å; V421-L435 HydrophobicContact CB-CB 4.43Å; V421-L435 HydrophobicContact CG1-CB 4.16Å; V421-L435 HydrophobicContact CG1-CD1 4.24Å; V421-L435 PolarHBondContact O-N 2.73Å; V421-M436 HydrophobicContact CB-CB 4.3Å; V421-M436 HydrophobicContact CG2-CB 4.43Å; V421-M436 PolarHBondContact N-O 3.09Å; V421-M436 PolarHBondContact O-N 3.26Å; V421-M468 HydrophobicContact CG1-SD 3.66Å; V421-Y478 HydrophobicContact CG1-CE2 4.07Å; V421-Y478 HydrophobicContact CG2-CE2 4.27Å; V421-V480 HydrophobicContact CG2-CG2 4Å
422	T	94.8	Very high	89.8	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	132.9	-170.2	-56.6	0	0	0	0	110.3	H388 V413 S414 W424 D434	H388-T422 PolarHBondContact CE1-OG1 3.43Å; V413-T422 CarbonylContact C-O 3.53Å; V413-T422 WeakPolarHBondContact CA-O 3.48Å; S414-T422 PolarHBondContact N-O 2.49Å; S414-T422 PolarHBondContact O-N 2.74Å; S414-T422 PolarHBondContact OG-O 2.91Å; T422-W424 HydrophobicContact CG2-CD2 4.36Å; T422-W424 HydrophobicContact CG2-CH2 4.23Å; T422-W424 HydrophobicContact CG2-CZ2 3.68Å; T422-D434 PolarHBondContact OG1-OD1 3.37Å
423	Q	93.9	Very high	89.6	Confident	7 Å²	7	34.5 Å²	34.5	3%	0.033	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	139.4	172.8	144	165.4	18.2	0	0	110.3	V411 L412 V413 F425 S432 A433 L435 Y492	V411-Q423 HydrophobicContact CG1-CB 4.18Å; V411-Q423 HydrophobicContact CG1-CG 3.48Å; V411-Q423 VanDerWaalsContact CG1-CG 3.48Å; V411-Q423 VanDerWaalsContact CG1-NE2 3.27Å; L412-Q423 CarbonylContact O-C 3.56Å; L412-Q423 WeakPolarHBondContact O-CA 3.41Å; V413-Q423 HydrophobicContact CG2-CB 4.39Å; Q423-F425 HydrophobicContact CG-CD2 4.32Å; Q423-F425 HydrophobicContact CG-CE1 4.44Å; Q423-F425 HydrophobicContact CG-CE2 3.83Å; Q423-F425 HydrophobicContact CG-CZ 3.92Å; Q423-S432 CarbonylContact O-C 3.58Å; Q423-S432 VanDerWaalsContact O-CA 3.28Å; Q423-S432 WeakPolarHBondContact O-CA 3.46Å; Q423-A433 PolarHBondContact N-O 2.92Å; Q423-A433 PolarHBondContact O-N 2.81Å; Q423-L435 HydrophobicContact CB-CD1 4.04Å; Q423-L435 HydrophobicContact CB-CD2 4.24Å; Q423-L435 HydrophobicContact CB-CG 3.91Å; Q423-Y492 PolarHBondContact NE2-OH 3.27Å; Q423-Y492 PolarHBondContact OE1-OH 2.6Å
424	W	93.3	Very high	89.4	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	129.1	-179.2	-53.1	90	0	0	0	111.9	T381 A384 G386 L412 S414 T422 F430 E431	T381-W424 HydrophobicContact CG2-CD2 4.22Å; T381-W424 HydrophobicContact CG2-CE3 3.67Å; T381-W424 HydrophobicContact CG2-CH2 3.71Å; T381-W424 HydrophobicContact CG2-CZ2 4.26Å; T381-W424 HydrophobicContact CG2-CZ3 3.37Å; A384-W424 HydrophobicContact CB-CZ3 4.28Å; G386-W424 VanDerWaalsContact O-CH2 3.27Å; G386-W424 WeakPolarHBondContact O-CH2 3.4Å; L412-W424 HydrophobicContact CB-CB 4.27Å; L412-W424 PolarHBondContact N-O 2.85Å; L412-W424 PolarHBondContact O-N 3.27Å; S414-W424 PolarHBondContact OG-NE1 2.96Å; T422-W424 HydrophobicContact CG2-CD2 4.36Å; T422-W424 HydrophobicContact CG2-CH2 4.23Å; T422-W424 HydrophobicContact CG2-CZ2 3.68Å; W424-F430 HydrophobicContact CB-CD2 3.84Å; W424-F430 HydrophobicContact CB-CE2 3.55Å; W424-F430 HydrophobicContact CB-CZ 4.19Å; W424-F430 HydrophobicContact CE3-CD1 4.42Å; W424-F430 HydrophobicContact CE3-CG 4.44Å; W424-F430 HydrophobicContact CG-CE2 4.23Å; W424-F430 HydrophobicContact CG-CZ 4.41Å; W424-E431 WeakPolarHBondContact CA-O 3.49Å
425	F	88.8	Confident	89.2	Confident	44 Å²	44	37.8 Å²	37.8	19%	0.193	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	96.8	-179.8	-64.2	-82.4	0	0	0	111.9	Q423 R427 K428 F430 E431 A433	Q423-F425 HydrophobicContact CG-CD2 4.32Å; Q423-F425 HydrophobicContact CG-CE1 4.44Å; Q423-F425 HydrophobicContact CG-CE2 3.83Å; Q423-F425 HydrophobicContact CG-CZ 3.92Å; F425-R427 PolarHBondContact O-N 3.17Å; F425-K428 HydrophobicContact CB-CB 4.24Å; F425-K428 PolarHBondContact O-N 3.22Å; F425-F430 WeakPolarHBondContact O-CA 3.36Å; F425-F430 PolarHBondContact O-N 2.93Å; F425-E431 HydrophobicContact CB-CB 4.46Å; F425-E431 HydrophobicContact CD2-CB 4.3Å; F425-E431 WeakPolarHBondContact CD2-O 3.43Å; F425-E431 PolarHBondContact N-O 3.45Å; F425-A433 HydrophobicContact CE2-CB 4.03Å
426	I	83.8	Confident	89	Confident	43 Å²	43	37.9 Å²	37.9	22%	0.221	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-64.3	-39.7	-175.3	-65	153.3	0	0	0	112.6	W397 L412 K428 F430	W397-I426 HydrophobicContact CE3-CD1 4.11Å; W397-I426 HydrophobicContact CH2-CD1 3.13Å; W397-I426 HydrophobicContact CZ2-CD1 4.27Å; W397-I426 HydrophobicContact CZ3-CD1 3.02Å; L412-I426 HydrophobicContact CB-CD1 4.37Å; I426-K428 VanDerWaalsContact C-N 3.26Å; I426-K428 PolarHBondContact O-N 2.82Å; I426-F430 HydrophobicContact CD1-CE2 4.48Å; I426-F430 HydrophobicContact CG1-CD2 3.77Å; I426-F430 HydrophobicContact CG1-CE2 3.56Å
427	R	77.2	Confident	88.8	Confident	156 Å²	156	41.8 Å²	41.8	59%	0.589	22%	0.217	S	C	*	.	G	3₁₀ helix	trans	-70.1	-20.1	-178.1	-66.8	-174.2	179.1	174.5	2	114	F425	F425-R427 PolarHBondContact O-N 3.17Å
428	K	72.5	Confident	88.7	Confident	139 Å²	139	41 Å²	41	60%	0.604	21%	0.212	S	C	*	.	G	3₁₀ helix	trans	-107.7	32.1	-177.4	-62.5	-174.4	177.5	-175.5	0	112	F425 I426 E431	F425-K428 HydrophobicContact CB-CB 4.24Å; F425-K428 PolarHBondContact O-N 3.22Å; I426-K428 VanDerWaalsContact C-N 3.26Å; I426-K428 PolarHBondContact O-N 2.82Å; K428-E431 WeakPolarHBondContact O-CG 3.5Å
429	G	76.4	Confident	88.4	Confident	62 Å²	62	46.2 Å²	46.2	64%	0.639	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	74.8	27.9	177.8	0	0	0	0	0	114.7	E431	G429-E431 VanDerWaalsContact C-N 3.35Å; G429-E431 PolarHBondContact O-N 3.39Å
430	F	80.9	Confident	87.8	Confident	6 Å²	6	49 Å²	49	3%	0.026	25%	0.247	C	C	.	.	S	Bend	trans	63.3	35.6	178.9	-128.4	-155.1	0	0	0	114.8	V365 V367 I379 T381 L412 W424 F425 I426	V365-F430 HydrophobicContact CB-CE1 4.46Å; V365-F430 HydrophobicContact CG1-CE1 4.46Å; V365-F430 HydrophobicContact CG1-CZ 4.13Å; V367-F430 HydrophobicContact CG2-CE1 4.42Å; V367-F430 HydrophobicContact CG2-CE2 4.12Å; V367-F430 HydrophobicContact CG2-CZ 3.67Å; I379-F430 HydrophobicContact CD1-CB 3.59Å; I379-F430 HydrophobicContact CD1-CD2 4.48Å; I379-F430 HydrophobicContact CD1-CG 4.04Å; I379-F430 HydrophobicContact CG1-CB 3.89Å; I379-F430 HydrophobicContact CG1-CD1 4.1Å; I379-F430 HydrophobicContact CG1-CG 4.04Å; T381-F430 HydrophobicContact CG2-CD1 3.37Å; T381-F430 HydrophobicContact CG2-CE1 3.21Å; T381-F430 HydrophobicContact CG2-CG 4.47Å; T381-F430 HydrophobicContact CG2-CZ 4.19Å; L412-F430 HydrophobicContact CD2-CE2 4.21Å; L412-F430 HydrophobicContact CD2-CZ 4.02Å; W424-F430 HydrophobicContact CB-CD2 3.84Å; W424-F430 HydrophobicContact CB-CE2 3.55Å; W424-F430 HydrophobicContact CB-CZ 4.19Å; W424-F430 HydrophobicContact CE3-CD1 4.42Å; W424-F430 HydrophobicContact CE3-CG 4.44Å; W424-F430 HydrophobicContact CG-CE2 4.23Å; W424-F430 HydrophobicContact CG-CZ 4.41Å; F425-F430 WeakPolarHBondContact O-CA 3.36Å; F425-F430 PolarHBondContact O-N 2.93Å; I426-F430 HydrophobicContact CD1-CE2 4.48Å; I426-F430 HydrophobicContact CG1-CD2 3.77Å; I426-F430 HydrophobicContact CG1-CE2 3.56Å
431	E	84.4	Confident	86.6	Confident	115 Å²	115	50.5 Å²	50.5	54%	0.537	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.2	140.6	165	-74.2	175.5	174.2	0	0	110.6	W424 F425 K428 G429	W424-E431 WeakPolarHBondContact CA-O 3.49Å; F425-E431 HydrophobicContact CB-CB 4.46Å; F425-E431 HydrophobicContact CD2-CB 4.3Å; F425-E431 WeakPolarHBondContact CD2-O 3.43Å; F425-E431 PolarHBondContact N-O 3.45Å; K428-E431 WeakPolarHBondContact O-CG 3.5Å; G429-E431 VanDerWaalsContact C-N 3.35Å; G429-E431 PolarHBondContact O-N 3.39Å
432	S	90.7	Very high	84.8	Confident	34 Å²	34	57.5 Å²	57.5	24%	0.238	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	139.6	-179.1	57.5	0	0	0	0	111.1	G386 Q423	G386-S432 VanDerWaalsContact CA-OG 3.28Å; G386-S432 WeakPolarHBondContact CA-OG 3.37Å; G386-S432 PolarHBondContact N-OG 3.16Å; Q423-S432 CarbonylContact O-C 3.58Å; Q423-S432 VanDerWaalsContact O-CA 3.28Å; Q423-S432 WeakPolarHBondContact O-CA 3.46Å
433	A	91.6	Very high	82.6	Confident	38 Å²	38	61.6 Å²	61.6	31%	0.314	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	128.9	168.4	0	0	0	0	0	109.8	Q423 F425 L435	Q423-A433 PolarHBondContact N-O 2.92Å; Q423-A433 PolarHBondContact O-N 2.81Å; F425-A433 HydrophobicContact CE2-CB 4.03Å; A433-L435 PolarHBondContact O-N 3.15Å
434	D	91.7	Very high	79.7	Confident	57 Å²	57	67 Å²	67	31%	0.305	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	120.4	177.8	-69.9	-19.9	0	0	0	110.1	T422	T422-D434 PolarHBondContact OG1-OD1 3.37Å
435	L	91.7	Very high	77.1	Confident	12 Å²	12	72.4 Å²	72.4	6%	0.063	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	-32	175.4	-67.9	177.6	0	0	0	112	V413 V421 Q423 A433 F470 Y492 N495	V413-L435 HydrophobicContact CG1-CD1 3.76Å; V413-L435 HydrophobicContact CG2-CD1 3.95Å; V421-L435 HydrophobicContact CB-CB 4.43Å; V421-L435 HydrophobicContact CG1-CB 4.16Å; V421-L435 HydrophobicContact CG1-CD1 4.24Å; V421-L435 PolarHBondContact O-N 2.73Å; Q423-L435 HydrophobicContact CB-CD1 4.04Å; Q423-L435 HydrophobicContact CB-CD2 4.24Å; Q423-L435 HydrophobicContact CB-CG 3.91Å; A433-L435 PolarHBondContact O-N 3.15Å; L435-F470 HydrophobicContact CD1-CZ 4.42Å; L435-Y492 HydrophobicContact CD1-CD2 3.79Å; L435-Y492 HydrophobicContact CD1-CE2 3.74Å; L435-Y492 HydrophobicContact CD2-CD2 3.88Å; L435-Y492 HydrophobicContact CD2-CE2 3.66Å; L435-Y492 HydrophobicContact CG-CE2 4.37Å; L435-N495 WeakPolarHBondContact O-CA 3.41Å; L435-N495 WeakPolarHBondContact O-CB 3.45Å
436	M	91.7	Very high	74.5	Confident	3 Å²	3	78.2 Å²	78.2	2%	0.015	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.8	140.7	177.3	-174.8	65.7	62.6	0	0	110.1	V421 L438 Y478 C490 Y498	V421-M436 HydrophobicContact CB-CB 4.3Å; V421-M436 HydrophobicContact CG2-CB 4.43Å; V421-M436 PolarHBondContact N-O 3.09Å; V421-M436 PolarHBondContact O-N 3.26Å; M436-L438 HydrophobicContact CG-CD2 3.84Å; M436-Y478 VanDerWaalsContact CB-OH 3.32Å; M436-Y478 WeakPolarHBondContact CB-OH 3.38Å; M436-C490 HydrophobicContact CE-CB 4.06Å; M436-Y498 HydrophobicContact CE-CD1 4.48Å; M436-Y498 HydrophobicContact CG-CE1 4.29Å; M436-Y498 HydrophobicContact SD-CD1 4.09Å; M436-Y498 HydrophobicContact SD-CE1 3.94Å
437	I	92.6	Very high	72.1	Confident	82 Å²	82	81.6 Å²	81.6	42%	0.421	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	108.4	167.6	-55.4	178.7	0	0	0	107.2	R420 K439 T462	R420-I437 HydrophobicContact CG-CG1 4.35Å; I437-K439 PolarHBondContact O-N 3.09Å; I437-T462 HydrophobicContact CG2-CG2 4.35Å
438	L	91.3	Very high	69.7	Low	0 Å²	0	80.2 Å²	80.2	0%	0	46%	0.455	C	S	.	.	P	Polyproline II helix	trans	-69.6	118.5	-178.6	-56.8	-177.3	0	0	0	110.2	G419 M436 T462 A463 A465 V480 T482 Y488 Y498	G419-L438 WeakPolarHBondContact O-CB 3.41Å; G419-L438 WeakPolarHBondContact O-CG 3.34Å; G419-L438 PolarHBondContact O-N 2.83Å; M436-L438 HydrophobicContact CG-CD2 3.84Å; L438-T462 CarbonylContact O-C 3.56Å; L438-T462 VanDerWaalsContact O-CA 3.23Å; L438-T462 WeakPolarHBondContact O-CA 3.35Å; L438-A463 HydrophobicContact CB-CB 4Å; L438-A463 PolarHBondContact O-N 2.75Å; L438-A465 HydrophobicContact CD1-CB 3.47Å; L438-A465 VanDerWaalsContact CD1-CB 3.47Å; L438-V480 HydrophobicContact CD1-CG1 3.73Å; L438-T482 HydrophobicContact CD1-CG2 3.85Å; L438-Y488 HydrophobicContact CD2-CD2 4.06Å; L438-Y498 WeakPolarHBondContact CA-OH 3.5Å; L438-Y498 HydrophobicContact CD2-CE1 3.89Å
439	K	88	Confident	67.9	Low	130 Å²	130	80.9 Å²	80.9	57%	0.565	46%	0.462	S	S	*	.	B	Isolated β-bridge	trans	-92.2	134.1	171.1	-63.2	171	-174.4	164.8	0	109.8	I437 T441 R461 Y498	I437-K439 PolarHBondContact O-N 3.09Å; K439-T441 PolarHBondContact O-N 2.98Å; K439-R461 WeakPolarHBondContact CA-O 3.26Å; K439-Y498 PolarHBondContact N-OH 3.49Å; K439-Y498 PolarHBondContact O-OH 2.62Å
440	Q	78.6	Confident	65.9	Low	58 Å²	58	84.9 Å²	84.9	27%	0.271	47%	0.469	S	S	.	.	P	Polyproline II helix	trans	-68.8	124.1	174.1	-168.3	172.6	15	0	0	109.8	S460 R461 A463 N484	Q440-S460 PolarHBondContact OE1-O 3.36Å; Q440-R461 PolarHBondContact N-O 2.78Å; Q440-A463 HydrophobicContact CB-CB 4.3Å; Q440-N484 PolarHBondContact NE2-ND2 3.31Å
441	T	68.2	Low	63.6	Low	74 Å²	74	91.1 Å²	91.1	45%	0.454	51%	0.508	S	S	.	.	P	Polyproline II helix	trans	-97.2	116.9	171.8	48.5	0	0	0	0	108.6	K439 S443 Y488	K439-T441 PolarHBondContact O-N 2.98Å; T441-S443 PolarHBondContact O-N 3.43Å; T441-Y488 PolarHBondContact OG1-OH 2.98Å; T441-Y488 VanDerWaalsContact OG1-OH 3.07Å
442	Y	58.9	Low	61.3	Low	147 Å²	147	90.7 Å²	90.7	58%	0.576	52%	0.518	S	S	*	.			trans	-77.6	100	172.2	-64.8	-84.2	0	0	0	108.2	S444 I459	Y442-S444 PolarHBondContact O-N 2.9Å; Y442-I459 WeakPolarHBondContact OH-CG2 3.32Å
443	S	47.6	Very low	58.6	Low	86 Å²	86	98.4 Å²	98.4	60%	0.601	55%	0.55	S	S	*	.			trans	-73.7	110.5	166.9	-164.4	0	0	0	0	108.6	T441 V445	T441-S443 PolarHBondContact O-N 3.43Å; S443-V445 VanDerWaalsContact C-N 3.29Å; S443-V445 PolarHBondContact O-N 3.34Å
444	S	33.1	Very low	55.9	Low	120 Å²	120	107.3 Å²	107.3	84%	0.839	58%	0.575	S	S	*	*			trans	-65.9	80.1	175	158.3	0	0	0	0	110.6	Y442	Y442-S444 PolarHBondContact O-N 2.9Å
445	V	38.2	Very low	53.1	Low	115 Å²	115	112.3 Å²	112.3	70%	0.697	60%	0.602	S	S	*	*			trans	-134.5	20.7	173.1	-163	0	0	0	0	113.2	S443	S443-V445 VanDerWaalsContact C-N 3.29Å; S443-V445 PolarHBondContact O-N 3.34Å
446	L	34.3	Very low	50.6	Low	165 Å²	165	121 Å²	121	86%	0.864	64%	0.642	S	S	*	*	S	Bend	trans	-131.5	95.5	172.4	-68.9	169.4	0	0	0	111.8
447	T	33.6	Very low	48	Very low	115 Å²	115	124.2 Å²	124.2	71%	0.706	67%	0.67	S	S	*	*			trans	61.6	130.3	157.7	27.8	0	0	0	0	119.2	M449	T447-M449 VanDerWaalsContact C-N 3.35Å; T447-M449 PolarHBondContact O-N 2.88Å
448	P	28	Very low	45.6	Very low	126 Å²	126	129 Å²	129	82%	0.818	70%	0.695	S	S	*	*			trans	-71.4	93.9	167.9	31.1	-29.1	0	0	0	108.1	N450	P448-N450 PolarHBondContact O-N 2.92Å
449	M	34.4	Very low	43.8	Very low	153 Å²	153	134.1 Å²	134.1	75%	0.754	72%	0.721	S	S	*	*			trans	-77.3	122	170.6	-91.3	-92.3	126.6	0	0	109	T447	T447-M449 VanDerWaalsContact C-N 3.35Å; T447-M449 PolarHBondContact O-N 2.88Å
450	N	34.3	Very low	42.2	Very low	146 Å²	146	130.7 Å²	130.7	78%	0.781	71%	0.714	S	S	*	*			trans	-52.3	145.3	-179.2	-74.7	-37.4	0	0	0	113.1	P448 S452	P448-N450 PolarHBondContact O-N 2.92Å; N450-S452 PolarHBondContact O-N 2.9Å
451	T	33.1	Very low	42	Very low	138 Å²	138	138.4 Å²	138.4	85%	0.847	74%	0.74	S	S	*	*	S	Bend	trans	-50.7	106.2	169.9	45.9	0	0	0	0	112.7
452	S	35	Very low	42.7	Very low	106 Å²	106	136.9 Å²	136.9	74%	0.741	73%	0.731	S	S	*	*	S	Bend	trans	-177.2	119.1	145.4	49.9	0	0	0	0	110.9	N450	N450-S452 PolarHBondContact O-N 2.9Å
453	Q	35.3	Very low	44.1	Very low	195 Å²	195	130 Å²	130	91%	0.911	70%	0.704	S	S	*	*			trans	59.7	77.8	164	-60.6	-176.2	-2.9	0	0	117.1
454	R	34	Very low	46.3	Very low	225 Å²	225	130 Å²	130	85%	0.849	69%	0.694	S	S	*	*			trans	-101.4	100.2	159.6	-89	-176.4	173.3	160.8	-1.6	109.5	E456	R454-E456 PolarHBondContact O-N 2.79Å
455	N	34	Very low	49.2	Very low	163 Å²	163	124.2 Å²	124.2	87%	0.872	65%	0.654	S	S	*	*			trans	-56.8	120.6	153.8	-80.6	-22	0	0	0	107.2	A457	N455-A457 VanDerWaalsContact C-N 3.26Å; N455-A457 PolarHBondContact O-N 3.41Å
456	E	38.4	Very low	52	Low	193 Å²	193	119.1 Å²	119.1	90%	0.902	62%	0.622	S	S	*	*			trans	-64.5	86.8	173.1	-69.6	179.3	162.6	0	0	108.8	R454 L458	R454-E456 PolarHBondContact O-N 2.79Å; E456-L458 PolarHBondContact O-N 2.92Å
457	A	37.3	Very low	54.9	Low	72 Å²	72	111.5 Å²	111.5	60%	0.595	58%	0.583	S	S	*	*			trans	-58.9	133.7	162.1	0	0	0	0	0	107.5	N455 I459	N455-A457 VanDerWaalsContact C-N 3.26Å; N455-A457 PolarHBondContact O-N 3.41Å; A457-I459 HydrophobicContact CB-CG1 4.43Å; A457-I459 WeakPolarHBondContact O-CG1 3.42Å; A457-I459 PolarHBondContact O-N 3.49Å
458	L	42.4	Very low	57.9	Low	183 Å²	183	106.3 Å²	106.3	96%	0.958	55%	0.551	S	S	*	*			trans	-65.3	70.7	177.9	-163.3	93.6	0	0	0	109.8	E456 S460	E456-L458 PolarHBondContact O-N 2.92Å; L458-S460 PolarHBondContact O-N 3.03Å
459	I	52.6	Low	61.2	Low	107 Å²	107	100.7 Å²	100.7	55%	0.549	52%	0.515	S	S	.	.			trans	-70.1	126.2	-178.4	-58.2	159.8	0	0	0	107.5	Y442 A457 R461	Y442-I459 WeakPolarHBondContact OH-CG2 3.32Å; A457-I459 HydrophobicContact CB-CG1 4.43Å; A457-I459 WeakPolarHBondContact O-CG1 3.42Å; A457-I459 PolarHBondContact O-N 3.49Å; I459-R461 PolarHBondContact O-N 2.98Å
460	S	55.9	Low	64	Low	58 Å²	58	93.6 Å²	93.6	41%	0.406	48%	0.48	S	S	.	.			trans	-49.4	129.2	176.6	-176.1	0	0	0	0	110	Q440 L458 T462	Q440-S460 PolarHBondContact OE1-O 3.36Å; L458-S460 PolarHBondContact O-N 3.03Å; S460-T462 VanDerWaalsContact C-N 3.27Å; S460-T462 PolarHBondContact OG-N 3.16Å; S460-T462 PolarHBondContact OG-OG1 3.2Å
461	R	73.2	Confident	66.9	Low	219 Å²	219	87 Å²	87	83%	0.826	45%	0.445	S	S	*	.			trans	-82.9	-7.9	177.5	-64.4	-174.9	-179.6	-141.6	0.4	112.4	K439 Q440 I459	K439-R461 WeakPolarHBondContact CA-O 3.26Å; Q440-R461 PolarHBondContact N-O 2.78Å; I459-R461 PolarHBondContact O-N 2.98Å
462	T	83.9	Confident	69.4	Low	42 Å²	42	86 Å²	86	26%	0.258	43%	0.429	S	S	.	.	B	Isolated β-bridge	trans	-91.3	136.8	-177	57.8	0	0	0	0	111.2	I437 L438 S460	I437-T462 HydrophobicContact CG2-CG2 4.35Å; L438-T462 CarbonylContact O-C 3.56Å; L438-T462 VanDerWaalsContact O-CA 3.23Å; L438-T462 WeakPolarHBondContact O-CA 3.35Å; S460-T462 VanDerWaalsContact C-N 3.27Å; S460-T462 PolarHBondContact OG-N 3.16Å; S460-T462 PolarHBondContact OG-OG1 3.2Å
463	A	88.2	Confident	72	Confident	2 Å²	2	88.7 Å²	88.7	2%	0.017	42%	0.423	C	S	.	.	P	Polyproline II helix	trans	-87.9	135.4	172.1	0	0	0	0	0	109.6	G419 L438 Q440 A465 T482	G419-A463 WeakPolarHBondContact CA-O 3.45Å; L438-A463 HydrophobicContact CB-CB 4Å; L438-A463 PolarHBondContact O-N 2.75Å; Q440-A463 HydrophobicContact CB-CB 4.3Å; A463-A465 PolarHBondContact O-N 3.23Å; A463-T482 HydrophobicContact CB-CG2 4.35Å
464	F	92.9	Very high	74.6	Confident	86 Å²	86	82.7 Å²	82.7	38%	0.377	40%	0.397	S	S	.	.	P	Polyproline II helix	trans	-75.7	121.4	179.8	-58.3	-34.9	0	0	0	111.1	N417 T482 E483	N417-F464 WeakPolarHBondContact O-CD1 3.24Å; N417-F464 WeakPolarHBondContact O-CE1 3.1Å; F464-T482 WeakPolarHBondContact O-CA 3.48Å; F464-T482 WeakPolarHBondContact O-CB 3.17Å; F464-E483 HydrophobicContact CB-CB 4.01Å; F464-E483 WeakPolarHBondContact CD2-OE2 3.19Å; F464-E483 PolarHBondContact O-N 2.77Å
465	A	95.2	Very high	77.2	Confident	0 Å²	0	74.7 Å²	74.7	0%	0	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	123	-176.5	0	0	0	0	0	110.3	R393 V415 S416 N417 L438 A463 V480	R393-A465 WeakPolarHBondContact CG-O 3.33Å; V415-A465 HydrophobicContact CG2-CB 3.19Å; S416-A465 CarbonylContact C-O 3.58Å; S416-A465 WeakPolarHBondContact O-CB 3.25Å; N417-A465 PolarHBondContact OD1-O 3.28Å; L438-A465 HydrophobicContact CD1-CB 3.47Å; L438-A465 VanDerWaalsContact CD1-CB 3.47Å; A463-A465 PolarHBondContact O-N 3.23Å; A465-V480 HydrophobicContact CB-CG1 3.92Å
466	T	95.5	Very high	79.9	Confident	7 Å²	7	69 Å²	69	4%	0.043	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	-23.6	-168.7	51.3	0	0	0	0	113.7	R393 G481 E483 V509	R393-T466 WeakPolarHBondContact CB-O 3.34Å; T466-G481 PolarHBondContact N-O 3.08Å; T466-G481 PolarHBondContact OG1-O 3.22Å; T466-E483 HydrophobicContact CG2-CB 3.86Å; T466-V509 WeakPolarHBondContact CB-O 3.32Å; T466-V509 PolarHBondContact OG1-O 3.1Å
467	S	95.8	Very high	82.6	Confident	6 Å²	6	61 Å²	61	4%	0.042	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	156.1	179.1	52.6	0	0	0	0	111.1	V480 G481 V509 Y510	S467-V480 WeakPolarHBondContact O-CA 3.4Å; S467-V480 WeakPolarHBondContact O-CG1 3.41Å; S467-G481 PolarHBondContact N-O 3.26Å; S467-G481 PolarHBondContact O-N 3.31Å; S467-V509 PolarHBondContact OG-O 3.31Å; S467-V509 VanDerWaalsContact OG-O 3.06Å; S467-Y510 WeakPolarHBondContact CB-O 3.46Å
468	M	96.5	Very high	85.3	Confident	6 Å²	6	57.6 Å²	57.6	3%	0.03	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	142.3	179.1	174.7	-177.8	71.1	0	0	109.9	Q396 V413 V415 V421 F470 Y478 I479	Q396-M468 HydrophobicContact CB-CE 4.28Å; V413-M468 HydrophobicContact CB-CE 4.17Å; V413-M468 HydrophobicContact CG1-CE 3.77Å; V413-M468 HydrophobicContact CG1-SD 3.83Å; V415-M468 HydrophobicContact CB-CB 4.01Å; V415-M468 HydrophobicContact CB-CE 4.42Å; V415-M468 HydrophobicContact CB-SD 4.15Å; V415-M468 HydrophobicContact CG1-CB 3.68Å; V415-M468 HydrophobicContact CG1-CE 4.43Å; V415-M468 HydrophobicContact CG2-CB 4.46Å; V421-M468 HydrophobicContact CG1-SD 3.66Å; M468-F470 HydrophobicContact CE-CE2 4.05Å; M468-F470 HydrophobicContact CG-CD2 4.5Å; M468-F470 HydrophobicContact CG-CE2 4.29Å; M468-F470 HydrophobicContact SD-CD2 4.49Å; M468-F470 HydrophobicContact SD-CE2 3.78Å; M468-Y478 HydrophobicContact CG-CD2 4.36Å; M468-I479 CarbonylContact C-O 3.55Å; M468-I479 VanDerWaalsContact CA-O 3.28Å; M468-I479 WeakPolarHBondContact CA-O 3.32Å
469	A	96.5	Very high	87.9	Confident	8 Å²	8	48.9 Å²	48.9	7%	0.066	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	125.3	173.7	0	0	0	0	0	111.6	Y478 I479 I512 W514	A469-Y478 WeakPolarHBondContact O-CA 3.39Å; A469-I479 PolarHBondContact N-O 2.79Å; A469-I479 PolarHBondContact O-N 2.82Å; A469-I512 HydrophobicContact CB-CB 4.31Å; A469-I512 HydrophobicContact CB-CG2 4.08Å; A469-W514 PolarHBondContact O-NE1 3.33Å
470	F	95.1	Very high	90	Very high	3 Å²	3	43.8 Å²	43.8	1%	0.013	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	142.6	170.2	-77.3	-102.5	0	0	0	111.5	I398 V413 L435 M468 K472 Y478 Y492 W514	I398-F470 HydrophobicContact CD1-CE1 4.02Å; I398-F470 HydrophobicContact CD1-CZ 4.14Å; I398-F470 HydrophobicContact CG2-CB 4.4Å; I398-F470 HydrophobicContact CG2-CD1 4.01Å; I398-F470 HydrophobicContact CG2-CD2 3.87Å; I398-F470 HydrophobicContact CG2-CE1 4.25Å; I398-F470 HydrophobicContact CG2-CE2 4.12Å; I398-F470 HydrophobicContact CG2-CG 3.82Å; I398-F470 HydrophobicContact CG2-CZ 4.31Å; V413-F470 HydrophobicContact CB-CE2 4.08Å; V413-F470 HydrophobicContact CB-CZ 4.31Å; V413-F470 HydrophobicContact CG1-CE2 3.94Å; V413-F470 HydrophobicContact CG1-CZ 4.07Å; V413-F470 HydrophobicContact CG2-CE2 4.31Å; V413-F470 HydrophobicContact CG2-CZ 4.1Å; L435-F470 HydrophobicContact CD1-CZ 4.42Å; M468-F470 HydrophobicContact CE-CE2 4.05Å; M468-F470 HydrophobicContact CG-CD2 4.5Å; M468-F470 HydrophobicContact CG-CE2 4.29Å; M468-F470 HydrophobicContact SD-CD2 4.49Å; M468-F470 HydrophobicContact SD-CE2 3.78Å; F470-K472 PolarHBondContact O-N 2.88Å; F470-Y478 HydrophobicContact CD1-CD1 4.35Å; F470-Y478 HydrophobicContact CD1-CG 4.33Å; F470-Y478 AromaticContact CE1-CD1 3.69Å; F470-Y478 HydrophobicContact CE1-CD1 3.69Å; F470-Y478 AromaticContact CE1-CG 3.94Å; F470-Y478 HydrophobicContact CE1-CG 3.94Å; F470-Y478 HydrophobicContact CE2-CG 4.26Å; F470-Y478 AromaticContact CZ-CD1 3.89Å; F470-Y478 HydrophobicContact CZ-CD1 3.89Å; F470-Y478 HydrophobicContact CZ-CE1 4.5Å; F470-Y478 AromaticContact CZ-CG 3.89Å; F470-Y478 HydrophobicContact CZ-CG 3.89Å; F470-Y492 HydrophobicContact CE1-CD2 4.03Å; F470-Y492 HydrophobicContact CZ-CD2 4.44Å; F470-W514 VanDerWaalsContact C-CD1 3.4Å; F470-W514 VanDerWaalsContact C-NE1 3.28Å; F470-W514 PolarHBondContact O-NE1 3.06Å
471	N	93.4	Very high	92	Very high	7 Å²	7	41 Å²	41	4%	0.037	19%	0.187	C	C	.	.			trans	-67.3	132.4	173.9	-176.1	-33	0	0	0	109.8	R473 D474 L475 I477 W514 P519	N471-R473 VanDerWaalsContact C-N 3.33Å; N471-R473 PolarHBondContact O-N 3.4Å; N471-R473 PolarHBondContact OD1-N 2.85Å; N471-D474 WeakPolarHBondContact CB-O 3.34Å; N471-D474 PolarHBondContact OD1-N 2.83Å; N471-L475 WeakPolarHBondContact O-CD2 3.38Å; N471-I477 PolarHBondContact N-O 2.91Å; N471-W514 HydrophobicContact CB-CD2 4.03Å; N471-W514 HydrophobicContact CB-CE3 4.33Å; N471-W514 HydrophobicContact CB-CH2 4.07Å; N471-W514 HydrophobicContact CB-CZ2 3.72Å; N471-W514 HydrophobicContact CB-CZ3 4.37Å; N471-W514 WeakPolarHBondContact ND2-CZ3 3.45Å; N471-P519 PolarHBondContact ND2-O 3.23Å
472	K	87.2	Confident	93.1	Very high	119 Å²	119	30.7 Å²	30.7	52%	0.517	15%	0.149	S	C	.	.	S	Bend	trans	-70.3	-25.9	-174.5	-65.7	-178.6	-178.8	171.3	0	113.5	F470	F470-K472 PolarHBondContact O-N 2.88Å
473	R	89	Confident	93.6	Very high	162 Å²	162	32.5 Å²	32.5	61%	0.611	15%	0.154	S	C	*	.	S	Bend	trans	-97.6	-45.4	179.4	-63.5	-166.4	-173.7	157.7	4.2	112	N471 F517 P519	N471-R473 VanDerWaalsContact C-N 3.33Å; N471-R473 PolarHBondContact O-N 3.4Å; N471-R473 PolarHBondContact OD1-N 2.85Å; R473-F517 PolarHBondContact NH2-O 3.36Å; R473-P519 HydrophobicContact CB-CB 4.03Å; R473-P519 HydrophobicContact CG-CB 4.07Å
474	D	89.8	Confident	93.7	Very high	68 Å²	68	36.3 Å²	36.3	36%	0.364	17%	0.174	S	C	.	.			trans	-108.8	88.3	177.3	-177.1	4.6	0	0	0	110.8	N471 S476 I477	N471-D474 WeakPolarHBondContact CB-O 3.34Å; N471-D474 PolarHBondContact OD1-N 2.83Å; D474-S476 VanDerWaalsContact CG-OG 3.27Å; D474-S476 PolarHBondContact O-N 3.21Å; D474-S476 VanDerWaalsContact OD1-CB 3.22Å; D474-S476 WeakPolarHBondContact OD1-CB 3.15Å; D474-S476 PolarHBondContact OD1-N 3.38Å; D474-S476 PolarHBondContact OD1-OG 2.95Å; D474-S476 PolarHBondContact OD2-OG 3.31Å; D474-I477 PolarHBondContact O-N 2.87Å; D474-I477 VanDerWaalsContact O-N 3.1Å; D474-I477 WeakPolarHBondContact OD2-CD1 3.23Å
475	L	89.3	Confident	93.7	Very high	58 Å²	58	32.2 Å²	32.2	30%	0.304	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-8	-179.5	-64.8	170.9	0	0	0	113.6	F399 N471 I477	F399-L475 HydrophobicContact CB-CD1 3.87Å; F399-L475 HydrophobicContact CD2-CD1 4.29Å; N471-L475 WeakPolarHBondContact O-CD2 3.38Å; L475-I477 PolarHBondContact O-N 2.81Å
476	S	90	Very high	93.7	Very high	43 Å²	43	33.2 Å²	33.2	30%	0.301	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-14.6	174.5	80.8	0	0	0	0	112.9	D474 S491 Y492	D474-S476 VanDerWaalsContact CG-OG 3.27Å; D474-S476 PolarHBondContact O-N 3.21Å; D474-S476 VanDerWaalsContact OD1-CB 3.22Å; D474-S476 WeakPolarHBondContact OD1-CB 3.15Å; D474-S476 PolarHBondContact OD1-N 3.38Å; D474-S476 PolarHBondContact OD1-OG 2.95Å; D474-S476 PolarHBondContact OD2-OG 3.31Å; S476-S491 CarbonylContact O-C 3.58Å; S476-S491 VanDerWaalsContact O-CA 3.28Å; S476-S491 WeakPolarHBondContact O-CA 3.45Å; S476-S491 PolarHBondContact O-OG 2.82Å; S476-Y492 PolarHBondContact O-N 3.33Å
477	I	94.1	Very high	93.8	Very high	25 Å²	25	32.9 Å²	32.9	13%	0.128	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	134.4	-178.3	-59	176.5	0	0	0	110.1	N471 D474 L475 K489 W514 I536	N471-I477 PolarHBondContact N-O 2.91Å; D474-I477 PolarHBondContact O-N 2.87Å; D474-I477 VanDerWaalsContact O-N 3.1Å; D474-I477 WeakPolarHBondContact OD2-CD1 3.23Å; L475-I477 PolarHBondContact O-N 2.81Å; I477-K489 HydrophobicContact CG2-CG 4.08Å; I477-W514 HydrophobicContact CG2-CZ2 4.49Å; I477-I536 HydrophobicContact CD1-CD1 4.43Å; I477-I536 HydrophobicContact CG2-CD1 4.25Å
478	Y	95.7	Very high	93.7	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	159.7	170.7	65.9	-84.1	0	0	0	111.1	V421 M436 M468 A469 F470 V480 C490 S491	V421-Y478 HydrophobicContact CG1-CE2 4.07Å; V421-Y478 HydrophobicContact CG2-CE2 4.27Å; M436-Y478 VanDerWaalsContact CB-OH 3.32Å; M436-Y478 WeakPolarHBondContact CB-OH 3.38Å; M468-Y478 HydrophobicContact CG-CD2 4.36Å; A469-Y478 WeakPolarHBondContact O-CA 3.39Å; F470-Y478 HydrophobicContact CD1-CD1 4.35Å; F470-Y478 HydrophobicContact CD1-CG 4.33Å; F470-Y478 AromaticContact CE1-CD1 3.69Å; F470-Y478 HydrophobicContact CE1-CD1 3.69Å; F470-Y478 AromaticContact CE1-CG 3.94Å; F470-Y478 HydrophobicContact CE1-CG 3.94Å; F470-Y478 HydrophobicContact CE2-CG 4.26Å; F470-Y478 AromaticContact CZ-CD1 3.89Å; F470-Y478 HydrophobicContact CZ-CD1 3.89Å; F470-Y478 HydrophobicContact CZ-CE1 4.5Å; F470-Y478 AromaticContact CZ-CG 3.89Å; F470-Y478 HydrophobicContact CZ-CG 3.89Å; Y478-V480 HydrophobicContact CD2-CG2 3.6Å; Y478-V480 HydrophobicContact CE2-CG2 3.5Å; Y478-C490 HydrophobicContact CD1-CB 4.23Å; Y478-C490 HydrophobicContact CD2-CB 3.99Å; Y478-C490 HydrophobicContact CE1-CB 3.71Å; Y478-C490 HydrophobicContact CE2-CB 3.44Å; Y478-C490 VanDerWaalsContact CE2-CB 3.44Å; Y478-C490 HydrophobicContact CG-CB 4.35Å; Y478-C490 PolarHBondContact N-O 2.58Å; Y478-C490 PolarHBondContact O-N 3.32Å; Y478-S491 VanDerWaalsContact CE1-C 3.49Å
479	I	96.8	Very high	93.7	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	141.2	-179.1	-67.9	175.6	0	0	0	108.8	M468 A469 I487 Y488 I512 W514 F522	M468-I479 CarbonylContact C-O 3.55Å; M468-I479 VanDerWaalsContact CA-O 3.28Å; M468-I479 WeakPolarHBondContact CA-O 3.32Å; A469-I479 PolarHBondContact N-O 2.79Å; A469-I479 PolarHBondContact O-N 2.82Å; I479-I487 HydrophobicContact CG2-CG2 3.06Å; I479-Y488 WeakPolarHBondContact CA-O 3.32Å; I479-I512 HydrophobicContact CG2-CD1 3.68Å; I479-I512 HydrophobicContact CG2-CG2 4.16Å; I479-W514 HydrophobicContact CD1-CH2 3.59Å; I479-W514 HydrophobicContact CD1-CZ2 3.31Å; I479-W514 HydrophobicContact CD1-CZ3 4.45Å; I479-W514 HydrophobicContact CG1-CH2 4.27Å; I479-W514 HydrophobicContact CG1-CZ2 3.64Å; I479-F522 HydrophobicContact CD1-CB 4.49Å; I479-F522 HydrophobicContact CD1-CD1 3.38Å; I479-F522 HydrophobicContact CD1-CD2 4.03Å; I479-F522 HydrophobicContact CD1-CE1 3.37Å; I479-F522 HydrophobicContact CD1-CE2 4.01Å; I479-F522 HydrophobicContact CD1-CG 3.71Å; I479-F522 HydrophobicContact CD1-CZ 3.7Å
480	V	96.9	Very high	93.6	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	123.3	179.5	-170.2	0	0	0	0	109.9	V415 V421 L438 A465 S467 Y478 I487 Y488	V415-V480 HydrophobicContact CG2-CG1 4.16Å; V421-V480 HydrophobicContact CG2-CG2 4Å; L438-V480 HydrophobicContact CD1-CG1 3.73Å; A465-V480 HydrophobicContact CB-CG1 3.92Å; S467-V480 WeakPolarHBondContact O-CA 3.4Å; S467-V480 WeakPolarHBondContact O-CG1 3.41Å; Y478-V480 HydrophobicContact CD2-CG2 3.6Å; Y478-V480 HydrophobicContact CE2-CG2 3.5Å; V480-I487 CarbonylContact O-C 3.5Å; V480-I487 WeakPolarHBondContact O-CA 3.38Å; V480-Y488 PolarHBondContact N-O 2.75Å; V480-Y488 PolarHBondContact O-N 3.05Å
481	G	96.4	Very high	93.5	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	147.2	172.2	0	0	0	0	0	111.1	T466 S467	T466-G481 PolarHBondContact N-O 3.08Å; T466-G481 PolarHBondContact OG1-O 3.22Å; S467-G481 PolarHBondContact N-O 3.26Å; S467-G481 PolarHBondContact O-N 3.31Å
482	T	96.2	Very high	93.4	Very high	2 Å²	2	35.3 Å²	35.3	1%	0.012	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	162.4	179.3	64.9	0	0	0	0	113.2	L438 A463 F464 N484 G485 P486 Y488 V509	L438-T482 HydrophobicContact CD1-CG2 3.85Å; A463-T482 HydrophobicContact CB-CG2 4.35Å; F464-T482 WeakPolarHBondContact O-CA 3.48Å; F464-T482 WeakPolarHBondContact O-CB 3.17Å; T482-N484 PolarHBondContact O-N 3.19Å; T482-G485 PolarHBondContact O-N 2.99Å; T482-P486 PolarHBondContact N-O 3.42Å; T482-P486 PolarHBondContact OG1-O 2.9Å; T482-Y488 HydrophobicContact CG2-CD2 3.76Å; T482-Y488 HydrophobicContact CG2-CE2 3.57Å; T482-V509 PolarHBondContact O-N 3.46Å; T482-V509 VanDerWaalsContact O-N 3.1Å
483	E	94.2	Very high	93.3	Very high	80 Å²	80	34 Å²	34	37%	0.374	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-26.2	179.9	-170.7	174.8	166.9	0	0	113.5	F464 T466 A507 S508	F464-E483 HydrophobicContact CB-CB 4.01Å; F464-E483 WeakPolarHBondContact CD2-OE2 3.19Å; F464-E483 PolarHBondContact O-N 2.77Å; T466-E483 HydrophobicContact CG2-CB 3.86Å; E483-A507 CarbonylContact O-C 3.52Å; E483-S508 WeakPolarHBondContact O-CA 3.31Å; E483-S508 WeakPolarHBondContact O-CB 3.31Å; E483-S508 PolarHBondContact O-N 3.07Å
484	N	91.7	Very high	93.2	Very high	82 Å²	82	34.5 Å²	34.5	44%	0.439	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-4.1	-179.3	-65.6	-35.6	0	0	0	113.4	Q440 T482 P486	Q440-N484 PolarHBondContact NE2-ND2 3.31Å; T482-N484 PolarHBondContact O-N 3.19Å; N484-P486 VanDerWaalsContact O-CD 3.24Å; N484-P486 WeakPolarHBondContact O-CD 3.36Å
485	G	92.9	Very high	92.9	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.183	C	C	.	.	S	Bend	trans	106.8	-34.9	-179.6	0	0	0	0	0	117.2	T482 I487 H505 A507 V509	T482-G485 PolarHBondContact O-N 2.99Å; G485-I487 PolarHBondContact O-N 3.28Å; G485-H505 WeakPolarHBondContact CA-O 3.49Å; G485-H505 WeakPolarHBondContact O-CB 3.37Å; G485-A507 WeakPolarHBondContact CA-O 3.36Å; G485-A507 PolarHBondContact N-O 3.18Å; G485-V509 WeakPolarHBondContact O-CG2 3.04Å
486	P	94.9	Very high	92.6	Very high	21 Å²	21	40.8 Å²	40.8	14%	0.136	21%	0.206	C	C	.	.			trans	-56.7	137.6	176.3	-27.8	34.7	0	0	0	112.6	T482 N484 Y488 T501	T482-P486 PolarHBondContact N-O 3.42Å; T482-P486 PolarHBondContact OG1-O 2.9Å; N484-P486 VanDerWaalsContact O-CD 3.24Å; N484-P486 WeakPolarHBondContact O-CD 3.36Å; P486-Y488 HydrophobicContact CB-CE1 4.35Å; P486-Y488 HydrophobicContact CB-CE2 4.33Å; P486-T501 HydrophobicContact CB-CG2 4.48Å
487	I	96.5	Very high	92.6	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	123.5	172.5	-63.4	177.6	0	0	0	107.7	I479 V480 G485 Y502 V509 I512 F522 W534	I479-I487 HydrophobicContact CG2-CG2 3.06Å; V480-I487 CarbonylContact O-C 3.5Å; V480-I487 WeakPolarHBondContact O-CA 3.38Å; G485-I487 PolarHBondContact O-N 3.28Å; I487-Y502 HydrophobicContact CB-CD2 4.29Å; I487-Y502 HydrophobicContact CG2-CD2 4.01Å; I487-Y502 PolarHBondContact N-O 2.76Å; I487-Y502 PolarHBondContact O-N 2.95Å; I487-V509 HydrophobicContact CD1-CG1 4.11Å; I487-V509 HydrophobicContact CD1-CG2 4.27Å; I487-V509 HydrophobicContact CG1-CG1 4.29Å; I487-V509 HydrophobicContact CG1-CG2 3.91Å; I487-I512 HydrophobicContact CD1-CD1 4.08Å; I487-I512 HydrophobicContact CG1-CD1 4.2Å; I487-I512 HydrophobicContact CG2-CD1 3.89Å; I487-F522 HydrophobicContact CD1-CE2 4.42Å; I487-F522 HydrophobicContact CG2-CE2 4.42Å; I487-W534 HydrophobicContact CD1-CZ2 4.36Å
488	Y	95.4	Very high	92.4	Very high	4 Å²	4	46.9 Å²	46.9	2%	0.016	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	131.9	-179.4	-61.1	-65.5	0	0	0	110.7	L438 T441 I479 V480 T482 P486 Y498 T501	L438-Y488 HydrophobicContact CD2-CD2 4.06Å; T441-Y488 PolarHBondContact OG1-OH 2.98Å; T441-Y488 VanDerWaalsContact OG1-OH 3.07Å; I479-Y488 WeakPolarHBondContact CA-O 3.32Å; V480-Y488 PolarHBondContact N-O 2.75Å; V480-Y488 PolarHBondContact O-N 3.05Å; T482-Y488 HydrophobicContact CG2-CD2 3.76Å; T482-Y488 HydrophobicContact CG2-CE2 3.57Å; P486-Y488 HydrophobicContact CB-CE1 4.35Å; P486-Y488 HydrophobicContact CB-CE2 4.33Å; Y488-Y498 HydrophobicContact CD1-CD1 4.27Å; Y488-Y498 AromaticContact CD1-CD2 3.51Å; Y488-Y498 HydrophobicContact CD1-CD2 3.51Å; Y488-Y498 HydrophobicContact CD1-CE1 4.42Å; Y488-Y498 AromaticContact CD1-CE2 3.66Å; Y488-Y498 HydrophobicContact CD1-CE2 3.66Å; Y488-Y498 AromaticContact CD1-CG 3.82Å; Y488-Y498 HydrophobicContact CD1-CG 3.82Å; Y488-Y498 AromaticContact CE1-CD2 3.73Å; Y488-Y498 HydrophobicContact CE1-CD2 3.73Å; Y488-Y498 AromaticContact CE1-CE2 3.52Å; Y488-Y498 HydrophobicContact CE1-CE2 3.52Å; Y488-Y498 HydrophobicContact CE1-CG 4.48Å; Y488-Y498 HydrophobicContact CG-CD1 4.25Å; Y488-Y498 HydrophobicContact CG-CD2 4.27Å; Y488-Y498 HydrophobicContact CG-CE1 4.28Å; Y488-Y498 HydrophobicContact CG-CE2 4.27Å; Y488-Y498 HydrophobicContact CG-CG 4.25Å; Y488-T501 HydrophobicContact CD1-CG2 3.71Å; Y488-T501 HydrophobicContact CE1-CG2 3.5Å
489	K	95.5	Very high	92.3	Very high	28 Å²	28	51 Å²	51	12%	0.122	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	124	167.5	-177.6	-174.5	170.4	177.9	0	108.2	I477 Y498 L499 D500 Y502 I536	I477-K489 HydrophobicContact CG2-CG 4.08Å; K489-Y498 CarbonylContact O-C 3.53Å; K489-L499 HydrophobicContact CB-CB 4.36Å; K489-L499 HydrophobicContact CD-CB 4.01Å; K489-L499 HydrophobicContact CD-CD1 4.45Å; K489-L499 HydrophobicContact CG-CB 3.98Å; K489-L499 HydrophobicContact CG-CD1 4.24Å; K489-L499 PolarHBondContact O-N 3.23Å; K489-D500 HydrophobicContact CB-CB 4Å; K489-D500 HydrophobicContact CD-CB 4.02Å; K489-D500 PolarHBondContact N-O 3.09Å; K489-D500 PolarHBondContact O-N 3.31Å; K489-Y502 HydrophobicContact CB-CE2 4.02Å; K489-I536 HydrophobicContact CD-CD1 4.11Å; K489-I536 HydrophobicContact CD-CG1 3.91Å; K489-I536 VanDerWaalsContact CE-CD1 3.48Å
490	C	94.5	Very high	92.2	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	157.3	-176.4	-63.2	0	0	0	0	110.5	M436 Y478	M436-C490 HydrophobicContact CE-CB 4.06Å; Y478-C490 HydrophobicContact CD1-CB 4.23Å; Y478-C490 HydrophobicContact CD2-CB 3.99Å; Y478-C490 HydrophobicContact CE1-CB 3.71Å; Y478-C490 HydrophobicContact CE2-CB 3.44Å; Y478-C490 VanDerWaalsContact CE2-CB 3.44Å; Y478-C490 HydrophobicContact CG-CB 4.35Å; Y478-C490 PolarHBondContact N-O 2.58Å; Y478-C490 PolarHBondContact O-N 3.32Å
491	S	93.4	Very high	92	Very high	10 Å²	10	54.5 Å²	54.5	7%	0.07	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	142	172.3	-176.1	0	0	0	0	110	S476 Y478 S493 Y494	S476-S491 CarbonylContact O-C 3.58Å; S476-S491 VanDerWaalsContact O-CA 3.28Å; S476-S491 WeakPolarHBondContact O-CA 3.45Å; S476-S491 PolarHBondContact O-OG 2.82Å; Y478-S491 VanDerWaalsContact CE1-C 3.49Å; S491-S493 PolarHBondContact O-N 3.05Å; S491-S493 PolarHBondContact OG-N 3.29Å; S491-Y494 VanDerWaalsContact O-O 3.05Å
492	Y	89.8	Confident	92	Very high	40 Å²	40	54.5 Å²	54.5	16%	0.157	27%	0.27	C	S	.	.	S	Bend	trans	-63.7	-31	171.4	-176.1	-97.6	0	0	0	112.4	I398 Q423 L435 F470 S476	I398-Y492 HydrophobicContact CD1-CD2 3.89Å; I398-Y492 HydrophobicContact CD1-CE2 3.41Å; I398-Y492 VanDerWaalsContact CD1-CE2 3.41Å; Q423-Y492 PolarHBondContact NE2-OH 3.27Å; Q423-Y492 PolarHBondContact OE1-OH 2.6Å; L435-Y492 HydrophobicContact CD1-CD2 3.79Å; L435-Y492 HydrophobicContact CD1-CE2 3.74Å; L435-Y492 HydrophobicContact CD2-CD2 3.88Å; L435-Y492 HydrophobicContact CD2-CE2 3.66Å; L435-Y492 HydrophobicContact CG-CE2 4.37Å; F470-Y492 HydrophobicContact CE1-CD2 4.03Å; F470-Y492 HydrophobicContact CZ-CD2 4.44Å; S476-Y492 PolarHBondContact O-N 3.33Å
493	S	86.5	Confident	91.9	Very high	92 Å²	92	59.4 Å²	59.4	64%	0.643	30%	0.295	S	S	*	.	S	Bend	trans	-92.6	-20.1	-177	-57.9	0	0	0	0	113.7	S491	S491-S493 PolarHBondContact O-N 3.05Å; S491-S493 PolarHBondContact OG-N 3.29Å
494	Y	86.1	Confident	91.8	Very high	172 Å²	172	56.7 Å²	56.7	68%	0.675	29%	0.286	S	S	*	.			trans	-117.6	108.6	179.9	-71.1	-89.4	0	0	0	110.4	S491	S491-Y494 VanDerWaalsContact O-O 3.05Å
495	N	84.6	Confident	92	Very high	88 Å²	88	53.2 Å²	53.2	47%	0.471	27%	0.267	S	S	.	.			trans	-99.8	-4.7	-169.1	62.1	-14.2	0	0	0	115.8	L435	L435-N495 WeakPolarHBondContact O-CA 3.41Å; L435-N495 WeakPolarHBondContact O-CB 3.45Å
496	E	83.3	Confident	92.1	Very high	169 Å²	169	58.9 Å²	58.9	79%	0.79	30%	0.302	S	S	*	.	S	Bend	trans	-100.4	-27	-172.8	-61.4	-168	161.1	0	0	114.6
497	Q	88.2	Confident	92.1	Very high	156 Å²	156	59.2 Å²	59.2	73%	0.729	31%	0.306	S	S	*	.	S	Bend	trans	-135.1	143.4	-171.8	-169	179.2	-4.4	0	0	111.4
498	Y	91.3	Very high	92	Very high	40 Å²	40	60 Å²	60	16%	0.157	31%	0.312	C	S	.	.			trans	-70.7	138.9	170.6	-42.3	-45	0	0	0	110.3	M436 L438 K439 Y488 K489	M436-Y498 HydrophobicContact CE-CD1 4.48Å; M436-Y498 HydrophobicContact CG-CE1 4.29Å; M436-Y498 HydrophobicContact SD-CD1 4.09Å; M436-Y498 HydrophobicContact SD-CE1 3.94Å; L438-Y498 WeakPolarHBondContact CA-OH 3.5Å; L438-Y498 HydrophobicContact CD2-CE1 3.89Å; K439-Y498 PolarHBondContact N-OH 3.49Å; K439-Y498 PolarHBondContact O-OH 2.62Å; Y488-Y498 HydrophobicContact CD1-CD1 4.27Å; Y488-Y498 AromaticContact CD1-CD2 3.51Å; Y488-Y498 HydrophobicContact CD1-CD2 3.51Å; Y488-Y498 HydrophobicContact CD1-CE1 4.42Å; Y488-Y498 AromaticContact CD1-CE2 3.66Å; Y488-Y498 HydrophobicContact CD1-CE2 3.66Å; Y488-Y498 AromaticContact CD1-CG 3.82Å; Y488-Y498 HydrophobicContact CD1-CG 3.82Å; Y488-Y498 AromaticContact CE1-CD2 3.73Å; Y488-Y498 HydrophobicContact CE1-CD2 3.73Å; Y488-Y498 AromaticContact CE1-CE2 3.52Å; Y488-Y498 HydrophobicContact CE1-CE2 3.52Å; Y488-Y498 HydrophobicContact CE1-CG 4.48Å; Y488-Y498 HydrophobicContact CG-CD1 4.25Å; Y488-Y498 HydrophobicContact CG-CD2 4.27Å; Y488-Y498 HydrophobicContact CG-CE1 4.28Å; Y488-Y498 HydrophobicContact CG-CE2 4.27Å; Y488-Y498 HydrophobicContact CG-CG 4.25Å; K489-Y498 CarbonylContact O-C 3.53Å
499	L	93.1	Very high	92.1	Very high	86 Å²	86	59.8 Å²	59.8	45%	0.45	31%	0.311	S	S	.	.	S	Bend	trans	-70.8	-38.9	172.4	-63.1	-179.8	0	0	0	111.4	K489	K489-L499 HydrophobicContact CB-CB 4.36Å; K489-L499 HydrophobicContact CD-CB 4.01Å; K489-L499 HydrophobicContact CD-CD1 4.45Å; K489-L499 HydrophobicContact CG-CB 3.98Å; K489-L499 HydrophobicContact CG-CD1 4.24Å; K489-L499 PolarHBondContact O-N 3.23Å
500	D	94	Very high	92.1	Very high	40 Å²	40	62.2 Å²	62.2	21%	0.214	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	164.6	177.3	-152.5	-12.8	0	0	0	110.5	K489	K489-D500 HydrophobicContact CB-CB 4Å; K489-D500 HydrophobicContact CD-CB 4.02Å; K489-D500 PolarHBondContact N-O 3.09Å; K489-D500 PolarHBondContact O-N 3.31Å
501	T	93.9	Very high	92.2	Very high	35 Å²	35	64 Å²	64	22%	0.215	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	118.5	177.7	-54.6	0	0	0	0	110.5	P486 Y488 I503	P486-T501 HydrophobicContact CB-CG2 4.48Å; Y488-T501 HydrophobicContact CD1-CG2 3.71Å; Y488-T501 HydrophobicContact CE1-CG2 3.5Å; T501-I503 HydrophobicContact CG2-CD1 4.08Å; T501-I503 HydrophobicContact CG2-CG1 3.68Å
502	Y	95.4	Very high	92.4	Very high	0 Å²	0	64 Å²	64	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	111.4	175.3	-49.2	-80.1	0	0	0	109.6	I487 K489 F522 W534 I536 Y538	I487-Y502 HydrophobicContact CB-CD2 4.29Å; I487-Y502 HydrophobicContact CG2-CD2 4.01Å; I487-Y502 PolarHBondContact N-O 2.76Å; I487-Y502 PolarHBondContact O-N 2.95Å; K489-Y502 HydrophobicContact CB-CE2 4.02Å; Y502-F522 AromaticContact CD2-CZ 3.95Å; Y502-F522 HydrophobicContact CD2-CZ 3.95Å; Y502-F522 HydrophobicContact CE2-CE1 4.11Å; Y502-F522 AromaticContact CE2-CZ 3.88Å; Y502-F522 HydrophobicContact CE2-CZ 3.88Å; Y502-F522 HydrophobicContact CG-CZ 4.4Å; Y502-W534 HydrophobicContact CD1-CE3 4.04Å; Y502-W534 HydrophobicContact CD1-CZ3 4.18Å; Y502-W534 HydrophobicContact CG-CE3 4.26Å; Y502-W534 HydrophobicContact CG-CZ3 4.26Å; Y502-I536 WeakPolarHBondContact OH-CA 3.34Å; Y502-I536 WeakPolarHBondContact OH-CG1 3.45Å; Y502-I536 PolarHBondContact OH-O 3.32Å; Y502-Y538 WeakPolarHBondContact CD1-O 3.46Å; Y502-Y538 WeakPolarHBondContact CE1-O 3.32Å
503	I	93.8	Very high	92.6	Very high	105 Å²	105	63.8 Å²	63.8	54%	0.538	33%	0.328	S	S	.	.			trans	-112.1	90.7	-177.6	-49.9	177.4	0	0	0	108.5	T501	T501-I503 HydrophobicContact CG2-CD1 4.08Å; T501-I503 HydrophobicContact CG2-CG1 3.68Å
504	A	92.7	Very high	93.1	Very high	23 Å²	23	59.7 Å²	59.7	19%	0.19	30%	0.298	C	S	.	.			trans	-139.3	-32.5	168.3	0	0	0	0	0	113.1	R532 W534 P541	A504-R532 VanDerWaalsContact CB-CZ 3.46Å; A504-R532 VanDerWaalsContact O-CZ 3.31Å; A504-R532 PolarHBondContact O-NH1 3.14Å; A504-R532 PolarHBondContact O-NH2 3.3Å; A504-W534 HydrophobicContact CB-CH2 3.46Å; A504-W534 VanDerWaalsContact CB-CH2 3.46Å; A504-W534 HydrophobicContact CB-CZ2 4.16Å; A504-W534 HydrophobicContact CB-CZ3 4.36Å; A504-P541 HydrophobicContact CB-CG 4.4Å
505	H	95.5	Very high	93.5	Very high	8 Å²	8	51.8 Å²	51.8	4%	0.037	27%	0.268	C	S	.	.			trans	-70	139	178.2	-76.7	-66.2	0	0	0	110.1	G485 V509 S524 S526 D528 T530 R532	G485-H505 WeakPolarHBondContact CA-O 3.49Å; G485-H505 WeakPolarHBondContact O-CB 3.37Å; H505-V509 HydrophobicContact CB-CG2 4.06Å; H505-S524 PolarHBondContact NE2-OG 2.92Å; H505-S526 VanDerWaalsContact ND1-CB 3.27Å; H505-S526 WeakPolarHBondContact ND1-CB 3.23Å; H505-D528 WeakPolarHBondContact CA-OD2 3.09Å; H505-D528 WeakPolarHBondContact CB-OD2 3.37Å; H505-D528 IonicContact CE1-OD1 2.7Å; H505-D528 IonicContact CE1-OD2 2.97Å; H505-D528 IonicContact CG-OD2 3.1Å; H505-D528 VanDerWaalsContact ND1-CG 3.31Å; H505-D528 IonicContact ND1-OD1 3.15Å; H505-D528 PolarHBondContact ND1-OD1 2.78Å; H505-D528 IonicContact ND1-OD2 3.9Å; H505-D528 PolarHBondContact ND1-OD2 3.12Å; H505-T530 PolarHBondContact CE1-OG1 2.87Å; H505-T530 VanDerWaalsContact CE1-OG1 3.23Å; H505-T530 PolarHBondContact ND1-OG1 2.76Å; H505-R532 VanDerWaalsContact CG-NH1 3.3Å; H505-R532 PolarHBondContact ND1-NH1 2.75Å; H505-R532 VanDerWaalsContact ND1-NH1 3.12Å
506	T	94.8	Very high	93.8	Very high	120 Å²	120	49.2 Å²	49.2	74%	0.736	26%	0.256	S	S	*	.			trans	-103.7	-0.8	-176.1	57.3	0	0	0	0	112.8	D528	T506-D528 PolarHBondContact N-OD2 3.42Å; T506-D528 VanDerWaalsContact OG1-CB 3.29Å; T506-D528 WeakPolarHBondContact OG1-CB 3.27Å
507	A	95.3	Very high	94.3	Very high	27 Å²	27	44.2 Å²	44.2	22%	0.223	23%	0.232	C	C	.	.	S	Bend	trans	-152.8	-179.1	178.5	0	0	0	0	0	111	E483 G485 V509 S526 A527 D528	E483-A507 CarbonylContact O-C 3.52Å; G485-A507 WeakPolarHBondContact CA-O 3.36Å; G485-A507 PolarHBondContact N-O 3.18Å; A507-V509 PolarHBondContact O-N 2.94Å; A507-S526 PolarHBondContact O-OG 3.49Å; A507-A527 HydrophobicContact CB-CB 3.82Å; A507-D528 HydrophobicContact CB-CB 4.05Å
508	S	95.4	Very high	94.5	Very high	17 Å²	17	39.2 Å²	39.2	12%	0.119	21%	0.212	C	C	.	.			trans	-51.2	126.3	-171.5	-172.6	0	0	0	0	114.2	E483 Y510 S526 A527	E483-S508 WeakPolarHBondContact O-CA 3.31Å; E483-S508 WeakPolarHBondContact O-CB 3.31Å; E483-S508 PolarHBondContact O-N 3.07Å; S508-Y510 PolarHBondContact O-N 3.01Å; S508-S526 CarbonylContact O-C 3.49Å; S508-S526 WeakPolarHBondContact O-CA 3.45Å; S508-S526 WeakPolarHBondContact O-CB 3.41Å; S508-S526 PolarHBondContact O-OG 3.05Å; S508-A527 PolarHBondContact O-N 2.6Å
509	V	97.3	Very high	94.7	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	105	177.5	-176.1	0	0	0	0	109.2	T466 S467 T482 G485 I487 H505 A507 I512 C525	T466-V509 WeakPolarHBondContact CB-O 3.32Å; T466-V509 PolarHBondContact OG1-O 3.1Å; S467-V509 PolarHBondContact OG-O 3.31Å; S467-V509 VanDerWaalsContact OG-O 3.06Å; T482-V509 PolarHBondContact O-N 3.46Å; T482-V509 VanDerWaalsContact O-N 3.1Å; G485-V509 WeakPolarHBondContact O-CG2 3.04Å; I487-V509 HydrophobicContact CD1-CG1 4.11Å; I487-V509 HydrophobicContact CD1-CG2 4.27Å; I487-V509 HydrophobicContact CG1-CG1 4.29Å; I487-V509 HydrophobicContact CG1-CG2 3.91Å; H505-V509 HydrophobicContact CB-CG2 4.06Å; A507-V509 PolarHBondContact O-N 2.94Å; V509-I512 HydrophobicContact CG1-CD1 3.99Å; V509-I512 HydrophobicContact CG1-CG1 3.75Å; V509-C525 CarbonylContact C-O 3.52Å
510	Y	95.7	Very high	94.8	Very high	78 Å²	78	38 Å²	38	31%	0.306	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	-39.7	-172.8	-68.5	-50.1	0	0	0	113.3	S467 S508 C525 A527 I552 P553	S467-Y510 WeakPolarHBondContact CB-O 3.46Å; S508-Y510 PolarHBondContact O-N 3.01Å; Y510-C525 PolarHBondContact N-O 3.1Å; Y510-A527 HydrophobicContact CD2-CB 4.45Å; Y510-A527 HydrophobicContact CE2-CB 3.56Å; Y510-A527 WeakPolarHBondContact OH-CB 3.42Å; Y510-I552 WeakPolarHBondContact CD2-O 3.4Å; Y510-P553 WeakPolarHBondContact CB-O 3.4Å
511	Q	95.7	Very high	94.9	Very high	39 Å²	39	37.6 Å²	37.6	18%	0.182	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	146.8	-179	-169.4	168.2	-3.1	0	0	111.7	S524 C525 S554 I555	Q511-S524 VanDerWaalsContact O-CA 3.31Å; Q511-S524 WeakPolarHBondContact O-CA 3.44Å; Q511-C525 PolarHBondContact O-N 3.42Å; Q511-S554 VanDerWaalsContact OE1-CB 3.29Å; Q511-S554 PolarHBondContact OE1-OG 3.39Å; Q511-I555 HydrophobicContact CB-CG1 4.06Å; Q511-I555 HydrophobicContact CG-CG1 4.05Å; Q511-I555 PolarHBondContact NE2-O 2.94Å; Q511-I555 PolarHBondContact OE1-O 2.9Å
512	I	97.4	Very high	95	Very high	10 Å²	10	35.9 Å²	35.9	5%	0.051	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	135.1	175	-59.1	-179.2	0	0	0	107.2	A469 I479 I487 V509 F522 L523	A469-I512 HydrophobicContact CB-CB 4.31Å; A469-I512 HydrophobicContact CB-CG2 4.08Å; I479-I512 HydrophobicContact CG2-CD1 3.68Å; I479-I512 HydrophobicContact CG2-CG2 4.16Å; I487-I512 HydrophobicContact CD1-CD1 4.08Å; I487-I512 HydrophobicContact CG1-CD1 4.2Å; I487-I512 HydrophobicContact CG2-CD1 3.89Å; V509-I512 HydrophobicContact CG1-CD1 3.99Å; V509-I512 HydrophobicContact CG1-CG1 3.75Å; I512-F522 HydrophobicContact CG2-CD2 3.89Å; I512-L523 CarbonylContact C-O 3.58Å; I512-L523 VanDerWaalsContact CA-O 3.28Å; I512-L523 WeakPolarHBondContact CA-O 3.38Å
513	E	95.6	Very high	95.1	Very high	34 Å²	34	36 Å²	36	16%	0.159	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	133.7	175.7	-174.8	168.2	177.2	0	0	111.9	F522 L523 S556 W557	E513-F522 CarbonylContact O-C 3.59Å; E513-F522 WeakPolarHBondContact O-CA 3.28Å; E513-L523 PolarHBondContact N-O 2.95Å; E513-L523 PolarHBondContact O-N 3.06Å; E513-S556 WeakPolarHBondContact OE2-CA 3.37Å; E513-W557 VanDerWaalsContact CD-CB 3.47Å; E513-W557 HydrophobicContact CG-CB 4.03Å; E513-W557 VanDerWaalsContact OE1-CB 3.26Å; E513-W557 WeakPolarHBondContact OE1-CB 3.48Å; E513-W557 PolarHBondContact OE1-N 2.85Å; E513-W557 PolarHBondContact OE2-N 2.77Å
514	W	95.5	Very high	95.3	Very high	6 Å²	6	31 Å²	31	2%	0.023	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	145.2	173	-72	94.4	0	0	0	111.9	A469 F470 N471 I477 I479 P519 F522 I536	A469-W514 PolarHBondContact O-NE1 3.33Å; F470-W514 VanDerWaalsContact C-CD1 3.4Å; F470-W514 VanDerWaalsContact C-NE1 3.28Å; F470-W514 PolarHBondContact O-NE1 3.06Å; N471-W514 HydrophobicContact CB-CD2 4.03Å; N471-W514 HydrophobicContact CB-CE3 4.33Å; N471-W514 HydrophobicContact CB-CH2 4.07Å; N471-W514 HydrophobicContact CB-CZ2 3.72Å; N471-W514 HydrophobicContact CB-CZ3 4.37Å; N471-W514 WeakPolarHBondContact ND2-CZ3 3.45Å; I477-W514 HydrophobicContact CG2-CZ2 4.49Å; I479-W514 HydrophobicContact CD1-CH2 3.59Å; I479-W514 HydrophobicContact CD1-CZ2 3.31Å; I479-W514 HydrophobicContact CD1-CZ3 4.45Å; I479-W514 HydrophobicContact CG1-CH2 4.27Å; I479-W514 HydrophobicContact CG1-CZ2 3.64Å; W514-P519 WeakPolarHBondContact CZ3-O 3.31Å; W514-F522 HydrophobicContact CD2-CB 4.09Å; W514-F522 HydrophobicContact CE3-CB 3.96Å; W514-F522 HydrophobicContact CH2-CD1 4.44Å; W514-F522 HydrophobicContact CZ3-CB 4.37Å; W514-F522 HydrophobicContact CZ3-CD1 4.27Å; W514-I536 HydrophobicContact CH2-CD1 3.9Å; W514-I536 HydrophobicContact CZ3-CD1 4.49Å
515	S	94.8	Very high	95.5	Very high	6 Å²	6	29.9 Å²	29.9	4%	0.042	16%	0.16	C	C	.	.			trans	-60.1	129.7	168.2	-171.7	0	0	0	0	110.2	F517 V518 I521 W557	S515-F517 PolarHBondContact O-N 3.06Å; S515-F517 PolarHBondContact OG-N 3.22Å; S515-V518 VanDerWaalsContact CB-O 3.32Å; S515-V518 WeakPolarHBondContact CB-O 3.39Å; S515-V518 PolarHBondContact OG-N 3.05Å; S515-I521 PolarHBondContact N-O 3.26Å; S515-W557 VanDerWaalsContact CA-CE3 3.41Å; S515-W557 VanDerWaalsContact CB-CH2 3.46Å; S515-W557 VanDerWaalsContact CB-CZ2 3.46Å; S515-W557 VanDerWaalsContact N-CE3 3.34Å; S515-W557 WeakPolarHBondContact OG-CZ2 3.42Å
516	P	91.1	Very high	95.6	Very high	34 Å²	34	29.5 Å²	29.5	22%	0.221	16%	0.159	C	C	.	.	S	Bend	trans	-67.6	-12.9	169.5	15.3	-12.4	0	0	0	112.7	W557 S558	P516-W557 VanDerWaalsContact CD-CD1 3.43Å; P516-W557 VanDerWaalsContact CD-CG 3.42Å; P516-W557 HydrophobicContact CG-CG 4.27Å; P516-S558 WeakPolarHBondContact CG-O 3.43Å
517	F	92.7	Very high	95.6	Very high	64 Å²	64	24.8 Å²	24.8	28%	0.281	13%	0.131	S	C	.	.	S	Bend	trans	-108.1	-37.5	-173.1	-52.5	-84.3	0	0	0	113.9	R473 S515 S558 P559 N561 S562	R473-F517 PolarHBondContact NH2-O 3.36Å; S515-F517 PolarHBondContact O-N 3.06Å; S515-F517 PolarHBondContact OG-N 3.22Å; F517-S558 VanDerWaalsContact CE2-O 3.29Å; F517-S558 WeakPolarHBondContact CE2-O 3.32Å; F517-P559 WeakPolarHBondContact CZ-O 3.48Å; F517-N561 WeakPolarHBondContact CE2-O 3.25Å; F517-S562 VanDerWaalsContact CD2-CB 3.46Å; F517-S562 VanDerWaalsContact CE2-CA 3.42Å; F517-S562 VanDerWaalsContact CE2-N 3.32Å
518	V	94.2	Very high	95.6	Very high	52 Å²	52	24.2 Å²	24.2	32%	0.315	13%	0.125	S	C	.	.			trans	-124	107.8	-175.3	-173.2	0	0	0	0	109.9	S515 E520 I521	S515-V518 VanDerWaalsContact CB-O 3.32Å; S515-V518 WeakPolarHBondContact CB-O 3.39Å; S515-V518 PolarHBondContact OG-N 3.05Å; V518-E520 VanDerWaalsContact CG1-OE2 3.23Å; V518-E520 WeakPolarHBondContact CG1-OE2 3.34Å; V518-E520 PolarHBondContact O-N 2.86Å; V518-E520 VanDerWaalsContact O-N 3.16Å; V518-I521 HydrophobicContact CB-CB 4.27Å; V518-I521 HydrophobicContact CB-CD1 3.96Å; V518-I521 HydrophobicContact CB-CG1 4.09Å; V518-I521 HydrophobicContact CG1-CB 4.32Å; V518-I521 HydrophobicContact CG1-CD1 3.67Å; V518-I521 HydrophobicContact CG1-CG1 3.68Å; V518-I521 HydrophobicContact CG2-CD1 4.4Å; V518-I521 PolarHBondContact O-N 2.95Å; V518-I521 VanDerWaalsContact O-N 3.09Å
519	P	94.1	Very high	95.6	Very high	19 Å²	19	26.4 Å²	26.4	12%	0.123	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-13.9	-169.8	29.4	-36.2	0	0	0	113.1	N471 R473 W514	N471-P519 PolarHBondContact ND2-O 3.23Å; R473-P519 HydrophobicContact CB-CB 4.03Å; R473-P519 HydrophobicContact CG-CB 4.07Å; W514-P519 WeakPolarHBondContact CZ3-O 3.31Å
520	E	95.1	Very high	95.5	Very high	80 Å²	80	26.6 Å²	26.6	37%	0.374	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86	-9.8	176.4	-58.5	79.1	-169.9	0	0	112.7	V518 H535 I536	V518-E520 VanDerWaalsContact CG1-OE2 3.23Å; V518-E520 WeakPolarHBondContact CG1-OE2 3.34Å; V518-E520 PolarHBondContact O-N 2.86Å; V518-E520 VanDerWaalsContact O-N 3.16Å; E520-H535 CarbonylContact O-C 3.6Å; E520-H535 WeakPolarHBondContact O-CA 3.34Å; E520-I536 HydrophobicContact CB-CG2 3.95Å; E520-I536 HydrophobicContact CG-CG2 4.26Å; E520-I536 WeakPolarHBondContact O-CB 3.32Å; E520-I536 PolarHBondContact O-N 3.28Å
521	I	96.5	Very high	95.6	Very high	32 Å²	32	23 Å²	23	16%	0.164	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	135.6	-171	-58.2	-178.6	0	0	0	111.3	S515 V518 L533 W534 W557	S515-I521 PolarHBondContact N-O 3.26Å; V518-I521 HydrophobicContact CB-CB 4.27Å; V518-I521 HydrophobicContact CB-CD1 3.96Å; V518-I521 HydrophobicContact CB-CG1 4.09Å; V518-I521 HydrophobicContact CG1-CB 4.32Å; V518-I521 HydrophobicContact CG1-CD1 3.67Å; V518-I521 HydrophobicContact CG1-CG1 3.68Å; V518-I521 HydrophobicContact CG2-CD1 4.4Å; V518-I521 PolarHBondContact O-N 2.95Å; V518-I521 VanDerWaalsContact O-N 3.09Å; I521-L533 HydrophobicContact CG2-CD1 3.42Å; I521-L533 VanDerWaalsContact CG2-CD1 3.42Å; I521-L533 HydrophobicContact CG2-CG 4Å; I521-W534 VanDerWaalsContact CA-O 3.31Å; I521-W534 WeakPolarHBondContact CA-O 3.2Å; I521-W534 VanDerWaalsContact CG2-O 3.31Å; I521-W534 WeakPolarHBondContact CG2-O 3.34Å; I521-W557 HydrophobicContact CB-CH2 4.48Å; I521-W557 HydrophobicContact CG2-CH2 3.62Å; I521-W557 HydrophobicContact CG2-CZ2 4.5Å; I521-W557 HydrophobicContact CG2-CZ3 4.39Å
522	F	97.2	Very high	95.7	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	156.2	172.3	68.3	-87	0	0	0	111.9	I479 I487 Y502 I512 E513 W514 W534	I479-F522 HydrophobicContact CD1-CB 4.49Å; I479-F522 HydrophobicContact CD1-CD1 3.38Å; I479-F522 HydrophobicContact CD1-CD2 4.03Å; I479-F522 HydrophobicContact CD1-CE1 3.37Å; I479-F522 HydrophobicContact CD1-CE2 4.01Å; I479-F522 HydrophobicContact CD1-CG 3.71Å; I479-F522 HydrophobicContact CD1-CZ 3.7Å; I487-F522 HydrophobicContact CD1-CE2 4.42Å; I487-F522 HydrophobicContact CG2-CE2 4.42Å; Y502-F522 AromaticContact CD2-CZ 3.95Å; Y502-F522 HydrophobicContact CD2-CZ 3.95Å; Y502-F522 HydrophobicContact CE2-CE1 4.11Å; Y502-F522 AromaticContact CE2-CZ 3.88Å; Y502-F522 HydrophobicContact CE2-CZ 3.88Å; Y502-F522 HydrophobicContact CG-CZ 4.4Å; I512-F522 HydrophobicContact CG2-CD2 3.89Å; E513-F522 CarbonylContact O-C 3.59Å; E513-F522 WeakPolarHBondContact O-CA 3.28Å; W514-F522 HydrophobicContact CD2-CB 4.09Å; W514-F522 HydrophobicContact CE3-CB 3.96Å; W514-F522 HydrophobicContact CH2-CD1 4.44Å; W514-F522 HydrophobicContact CZ3-CB 4.37Å; W514-F522 HydrophobicContact CZ3-CD1 4.27Å; F522-W534 HydrophobicContact CD1-CB 3.71Å; F522-W534 HydrophobicContact CD2-CB 3.88Å; F522-W534 AromaticContact CD2-CD1 3.62Å; F522-W534 AromaticContact CD2-CG 3.97Å; F522-W534 HydrophobicContact CD2-CG 3.97Å; F522-W534 HydrophobicContact CE1-CB 3.29Å; F522-W534 HydrophobicContact CE1-CG 4.02Å; F522-W534 HydrophobicContact CE2-CB 3.5Å; F522-W534 VanDerWaalsContact CE2-CB 3.5Å; F522-W534 AromaticContact CE2-CD1 3.2Å; F522-W534 HydrophobicContact CE2-CD2 4.12Å; F522-W534 AromaticContact CE2-CG 3.33Å; F522-W534 HydrophobicContact CE2-CG 3.33Å; F522-W534 AromaticContact CE2-NE1 3.87Å; F522-W534 HydrophobicContact CG-CB 3.99Å; F522-W534 HydrophobicContact CZ-CB 3.18Å; F522-W534 AromaticContact CZ-CD1 3.77Å; F522-W534 AromaticContact CZ-CD2 3.99Å; F522-W534 HydrophobicContact CZ-CD2 3.99Å; F522-W534 AromaticContact CZ-CG 3.36Å; F522-W534 HydrophobicContact CZ-CG 3.36Å; F522-W534 PolarHBondContact N-O 3.44Å; F522-W534 VanDerWaalsContact N-O 3.15Å; F522-W534 PolarHBondContact O-N 2.93Å
523	L	97.2	Very high	95.7	Very high	2 Å²	2	23 Å²	23	1%	0.01	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	147.9	174.4	-79.3	168.5	0	0	0	109.4	I512 E513 I531 R532 L533 I555 W557 F565	I512-L523 CarbonylContact C-O 3.58Å; I512-L523 VanDerWaalsContact CA-O 3.28Å; I512-L523 WeakPolarHBondContact CA-O 3.38Å; E513-L523 PolarHBondContact N-O 2.95Å; E513-L523 PolarHBondContact O-N 3.06Å; L523-I531 HydrophobicContact CD2-CG2 4.08Å; L523-R532 CarbonylContact C-O 3.54Å; L523-R532 WeakPolarHBondContact CA-O 3.4Å; L523-L533 HydrophobicContact CD2-CB 4.01Å; L523-L533 HydrophobicContact CD2-CD1 3.56Å; L523-L533 HydrophobicContact CD2-CG 4.42Å; L523-L533 HydrophobicContact CG-CD1 3.84Å; L523-I555 HydrophobicContact CB-CD1 3.73Å; L523-W557 HydrophobicContact CB-CE3 4.16Å; L523-W557 HydrophobicContact CB-CZ3 3.92Å; L523-W557 HydrophobicContact CD1-CD2 3.91Å; L523-W557 HydrophobicContact CD1-CE3 3.52Å; L523-W557 HydrophobicContact CD1-CH2 4.02Å; L523-W557 HydrophobicContact CD1-CZ2 4.41Å; L523-W557 HydrophobicContact CD1-CZ3 3.6Å; L523-W557 HydrophobicContact CG-CE3 3.82Å; L523-W557 HydrophobicContact CG-CH2 3.87Å; L523-W557 HydrophobicContact CG-CZ3 3.41Å; L523-W557 VanDerWaalsContact CG-CZ3 3.41Å; L523-F565 HydrophobicContact CD1-CB 3.8Å; L523-F565 HydrophobicContact CD1-CD1 3.86Å; L523-F565 HydrophobicContact CD1-CD2 4.27Å; L523-F565 HydrophobicContact CD1-CG 3.7Å
524	S	97.8	Very high	95.8	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	150.2	169.3	63.4	0	0	0	0	111.6	H505 Q511 I531 R532 W534	H505-S524 PolarHBondContact NE2-OG 2.92Å; Q511-S524 VanDerWaalsContact O-CA 3.31Å; Q511-S524 WeakPolarHBondContact O-CA 3.44Å; S524-I531 CarbonylContact O-C 3.55Å; S524-I531 WeakPolarHBondContact O-CA 3.43Å; S524-R532 PolarHBondContact N-O 3.1Å; S524-R532 PolarHBondContact O-N 3.41Å; S524-W534 PolarHBondContact OG-NE1 2.86Å
525	C	96.6	Very high	95.8	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	151.6	170.8	72.7	0	0	0	0	111.2	V509 Y510 Q511 I531 I552 I555	V509-C525 CarbonylContact C-O 3.52Å; Y510-C525 PolarHBondContact N-O 3.1Å; Q511-C525 PolarHBondContact O-N 3.42Å; C525-I531 HydrophobicContact CB-CG1 4.49Å; C525-I552 HydrophobicContact CB-CB 4.05Å; C525-I552 HydrophobicContact CB-CG2 3.62Å; C525-I552 PolarHBondContact SG-O 2.65Å; C525-I555 HydrophobicContact CB-CB 4.48Å; C525-I555 HydrophobicContact CB-CD1 4.25Å; C525-I555 HydrophobicContact CB-CG1 4.18Å; C525-I555 HydrophobicContact CB-CG2 3.57Å
526	S	96.7	Very high	95.8	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	162.3	-171.1	170.1	0	0	0	0	112.9	H505 A507 S508 D528 M529 T530	H505-S526 VanDerWaalsContact ND1-CB 3.27Å; H505-S526 WeakPolarHBondContact ND1-CB 3.23Å; A507-S526 PolarHBondContact O-OG 3.49Å; S508-S526 CarbonylContact O-C 3.49Å; S508-S526 WeakPolarHBondContact O-CA 3.45Å; S508-S526 WeakPolarHBondContact O-CB 3.41Å; S508-S526 PolarHBondContact O-OG 3.05Å; S526-D528 VanDerWaalsContact CB-OD1 3.24Å; S526-D528 WeakPolarHBondContact CB-OD1 3.45Å; S526-D528 PolarHBondContact O-N 2.78Å; S526-D528 VanDerWaalsContact OG-CG 3.31Å; S526-D528 PolarHBondContact OG-N 3.34Å; S526-D528 PolarHBondContact OG-OD1 2.68Å; S526-M529 PolarHBondContact O-N 2.75Å; S526-T530 PolarHBondContact N-O 2.86Å
527	A	95.5	Very high	96	Very high	20 Å²	20	27 Å²	27	17%	0.165	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-14.3	165.3	0	0	0	0	0	113.1	A507 S508 Y510 M529	A507-A527 HydrophobicContact CB-CB 3.82Å; S508-A527 PolarHBondContact O-N 2.6Å; Y510-A527 HydrophobicContact CD2-CB 4.45Å; Y510-A527 HydrophobicContact CE2-CB 3.56Å; Y510-A527 WeakPolarHBondContact OH-CB 3.42Å; A527-M529 PolarHBondContact O-N 3.38Å
528	D	95.2	Very high	96.1	Very high	16 Å²	16	30.3 Å²	30.3	9%	0.086	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	9	173.8	73.8	6.9	0	0	0	114.2	H505 T506 A507 S526 T530 R532	H505-D528 WeakPolarHBondContact CA-OD2 3.09Å; H505-D528 WeakPolarHBondContact CB-OD2 3.37Å; H505-D528 IonicContact CE1-OD1 2.7Å; H505-D528 IonicContact CE1-OD2 2.97Å; H505-D528 IonicContact CG-OD2 3.1Å; H505-D528 VanDerWaalsContact ND1-CG 3.31Å; H505-D528 IonicContact ND1-OD1 3.15Å; H505-D528 PolarHBondContact ND1-OD1 2.78Å; H505-D528 IonicContact ND1-OD2 3.9Å; H505-D528 PolarHBondContact ND1-OD2 3.12Å; T506-D528 PolarHBondContact N-OD2 3.42Å; T506-D528 VanDerWaalsContact OG1-CB 3.29Å; T506-D528 WeakPolarHBondContact OG1-CB 3.27Å; A507-D528 HydrophobicContact CB-CB 4.05Å; S526-D528 VanDerWaalsContact CB-OD1 3.24Å; S526-D528 WeakPolarHBondContact CB-OD1 3.45Å; S526-D528 PolarHBondContact O-N 2.78Å; S526-D528 VanDerWaalsContact OG-CG 3.31Å; S526-D528 PolarHBondContact OG-N 3.34Å; S526-D528 PolarHBondContact OG-OD1 2.68Å; D528-T530 PolarHBondContact O-N 3.07Å; D528-T530 WeakPolarHBondContact OD1-CB 3.48Å; D528-T530 PolarHBondContact OD1-N 2.91Å; D528-T530 PolarHBondContact OD1-OG1 3.33Å; D528-T530 PolarHBondContact OD2-OG1 3.18Å; D528-R532 IonicContact OD2-NH1 3.32Å
529	M	95.2	Very high	95.9	Very high	62 Å²	62	34 Å²	34	31%	0.305	17%	0.165	S	C	.	.	S	Bend	trans	70.5	15.5	175	-42.6	162.9	-146.2	0	0	113.4	S526 A527 M549 T550	S526-M529 PolarHBondContact O-N 2.75Å; A527-M529 PolarHBondContact O-N 3.38Å; M529-M549 WeakPolarHBondContact SD-CA 3.32Å; M529-M549 HydrophobicContact SD-CB 3.99Å; M529-M549 HydrophobicContact SD-SD 4.05Å; M529-T550 WeakPolarHBondContact CA-O 3.22Å; M529-T550 VanDerWaalsContact CB-O 3.27Å; M529-T550 WeakPolarHBondContact CB-O 3.4Å; M529-T550 WeakPolarHBondContact CG-O 3.27Å
530	T	96.4	Very high	96	Very high	5 Å²	5	41.3 Å²	41.3	3%	0.031	19%	0.194	C	C	.	.			trans	-116.8	146.5	-179.2	73.9	0	0	0	0	112.9	H505 S526 D528 T544 I545 Q546	H505-T530 PolarHBondContact CE1-OG1 2.87Å; H505-T530 VanDerWaalsContact CE1-OG1 3.23Å; H505-T530 PolarHBondContact ND1-OG1 2.76Å; S526-T530 PolarHBondContact N-O 2.86Å; D528-T530 PolarHBondContact O-N 3.07Å; D528-T530 WeakPolarHBondContact OD1-CB 3.48Å; D528-T530 PolarHBondContact OD1-N 2.91Å; D528-T530 PolarHBondContact OD1-OG1 3.33Å; D528-T530 PolarHBondContact OD2-OG1 3.18Å; T530-T544 HydrophobicContact CG2-CG2 4.19Å; T530-I545 WeakPolarHBondContact CA-O 3.41Å; T530-Q546 HydrophobicContact CG2-CB 4.09Å; T530-Q546 HydrophobicContact CG2-CG 4.21Å
531	I	97.2	Very high	96.1	Very high	1 Å²	1	39 Å²	39	1%	0.005	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	133.8	162.5	-50.8	177.5	0	0	0	107.1	L523 S524 C525 I545 I552 I555 F565 S567	L523-I531 HydrophobicContact CD2-CG2 4.08Å; S524-I531 CarbonylContact O-C 3.55Å; S524-I531 WeakPolarHBondContact O-CA 3.43Å; C525-I531 HydrophobicContact CB-CG1 4.49Å; I531-I545 HydrophobicContact CB-CB 4.26Å; I531-I545 PolarHBondContact N-O 2.64Å; I531-I545 PolarHBondContact O-N 3.34Å; I531-I552 HydrophobicContact CD1-CD1 4Å; I531-I552 HydrophobicContact CD1-CG2 4.33Å; I531-I552 HydrophobicContact CG1-CD1 3.42Å; I531-I552 VanDerWaalsContact CG1-CD1 3.42Å; I531-I552 HydrophobicContact CG1-CG2 4.19Å; I531-I555 HydrophobicContact CD1-CG2 4.14Å; I531-I555 HydrophobicContact CG1-CG2 4.41Å; I531-I555 HydrophobicContact CG2-CG2 4.45Å; I531-F565 HydrophobicContact CD1-CE2 3.8Å; I531-F565 HydrophobicContact CG2-CE2 4.12Å; I531-F565 HydrophobicContact CG2-CZ 4.43Å; I531-S567 VanDerWaalsContact CD1-CB 3.41Å
532	R	97.5	Very high	96.1	Very high	32 Å²	32	41.5 Å²	41.5	12%	0.121	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	133.8	179.1	-72.4	-172	167.6	132.3	-11.9	111.9	A504 H505 L523 S524 D528 W534 P541 I543 T544	A504-R532 VanDerWaalsContact CB-CZ 3.46Å; A504-R532 VanDerWaalsContact O-CZ 3.31Å; A504-R532 PolarHBondContact O-NH1 3.14Å; A504-R532 PolarHBondContact O-NH2 3.3Å; H505-R532 VanDerWaalsContact CG-NH1 3.3Å; H505-R532 PolarHBondContact ND1-NH1 2.75Å; H505-R532 VanDerWaalsContact ND1-NH1 3.12Å; L523-R532 CarbonylContact C-O 3.54Å; L523-R532 WeakPolarHBondContact CA-O 3.4Å; S524-R532 PolarHBondContact N-O 3.1Å; S524-R532 PolarHBondContact O-N 3.41Å; D528-R532 IonicContact OD2-NH1 3.32Å; R532-W534 HydrophobicContact CB-CZ2 3.99Å; R532-W534 VanDerWaalsContact CB-NE1 3.29Å; R532-W534 HydrophobicContact CG-CZ2 4.44Å; R532-W534 VanDerWaalsContact O-CD1 3.31Å; R532-P541 HydrophobicContact CB-CB 4.06Å; R532-P541 HydrophobicContact CG-CB 4.15Å; R532-P541 HydrophobicContact CG-CG 4.46Å; R532-I543 WeakPolarHBondContact CA-O 3.41Å; R532-T544 HydrophobicContact CG-CG2 4.07Å; R532-T544 PolarHBondContact NE-OG1 2.64Å
533	L	97.6	Very high	96	Very high	19 Å²	19	43.7 Å²	43.7	10%	0.099	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	127.1	169.2	-172.6	71.8	0	0	0	108.6	I521 L523 P541 L542 I543 W557 L578	I521-L533 HydrophobicContact CG2-CD1 3.42Å; I521-L533 VanDerWaalsContact CG2-CD1 3.42Å; I521-L533 HydrophobicContact CG2-CG 4Å; L523-L533 HydrophobicContact CD2-CB 4.01Å; L523-L533 HydrophobicContact CD2-CD1 3.56Å; L523-L533 HydrophobicContact CD2-CG 4.42Å; L523-L533 HydrophobicContact CG-CD1 3.84Å; L533-P541 CarbonylContact O-C 3.57Å; L533-P541 WeakPolarHBondContact O-CA 3.46Å; L533-L542 PolarHBondContact O-N 3.43Å; L533-I543 HydrophobicContact CB-CB 3.94Å; L533-I543 HydrophobicContact CB-CG1 4.36Å; L533-I543 HydrophobicContact CD2-CD1 3.72Å; L533-I543 HydrophobicContact CD2-CG1 4.05Å; L533-I543 PolarHBondContact N-O 3.45Å; L533-I543 PolarHBondContact O-N 2.86Å; L533-W557 HydrophobicContact CD1-CH2 3.68Å; L533-W557 HydrophobicContact CD1-CZ2 4.49Å; L533-W557 HydrophobicContact CD1-CZ3 4.38Å; L533-L578 HydrophobicContact CD2-CD1 4.27Å
534	W	97.5	Very high	96	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	152.7	-175.8	-58.7	91	0	0	0	110.4	I487 Y502 A504 I521 F522 S524 R532 P541	I487-W534 HydrophobicContact CD1-CZ2 4.36Å; Y502-W534 HydrophobicContact CD1-CE3 4.04Å; Y502-W534 HydrophobicContact CD1-CZ3 4.18Å; Y502-W534 HydrophobicContact CG-CE3 4.26Å; Y502-W534 HydrophobicContact CG-CZ3 4.26Å; A504-W534 HydrophobicContact CB-CH2 3.46Å; A504-W534 VanDerWaalsContact CB-CH2 3.46Å; A504-W534 HydrophobicContact CB-CZ2 4.16Å; A504-W534 HydrophobicContact CB-CZ3 4.36Å; I521-W534 VanDerWaalsContact CA-O 3.31Å; I521-W534 WeakPolarHBondContact CA-O 3.2Å; I521-W534 VanDerWaalsContact CG2-O 3.31Å; I521-W534 WeakPolarHBondContact CG2-O 3.34Å; F522-W534 HydrophobicContact CD1-CB 3.71Å; F522-W534 HydrophobicContact CD2-CB 3.88Å; F522-W534 AromaticContact CD2-CD1 3.62Å; F522-W534 AromaticContact CD2-CG 3.97Å; F522-W534 HydrophobicContact CD2-CG 3.97Å; F522-W534 HydrophobicContact CE1-CB 3.29Å; F522-W534 HydrophobicContact CE1-CG 4.02Å; F522-W534 HydrophobicContact CE2-CB 3.5Å; F522-W534 VanDerWaalsContact CE2-CB 3.5Å; F522-W534 AromaticContact CE2-CD1 3.2Å; F522-W534 HydrophobicContact CE2-CD2 4.12Å; F522-W534 AromaticContact CE2-CG 3.33Å; F522-W534 HydrophobicContact CE2-CG 3.33Å; F522-W534 AromaticContact CE2-NE1 3.87Å; F522-W534 HydrophobicContact CG-CB 3.99Å; F522-W534 HydrophobicContact CZ-CB 3.18Å; F522-W534 AromaticContact CZ-CD1 3.77Å; F522-W534 AromaticContact CZ-CD2 3.99Å; F522-W534 HydrophobicContact CZ-CD2 3.99Å; F522-W534 AromaticContact CZ-CG 3.36Å; F522-W534 HydrophobicContact CZ-CG 3.36Å; F522-W534 PolarHBondContact N-O 3.44Å; F522-W534 VanDerWaalsContact N-O 3.15Å; F522-W534 PolarHBondContact O-N 2.93Å; S524-W534 PolarHBondContact OG-NE1 2.86Å; R532-W534 HydrophobicContact CB-CZ2 3.99Å; R532-W534 VanDerWaalsContact CB-NE1 3.29Å; R532-W534 HydrophobicContact CG-CZ2 4.44Å; R532-W534 VanDerWaalsContact O-CD1 3.31Å; W534-P541 HydrophobicContact CD2-CB 4.07Å; W534-P541 HydrophobicContact CE3-CB 3.95Å; W534-P541 HydrophobicContact CH2-CB 4.2Å; W534-P541 HydrophobicContact CH2-CG 4.34Å; W534-P541 HydrophobicContact CZ2-CB 4.27Å; W534-P541 HydrophobicContact CZ3-CB 4Å; W534-P541 HydrophobicContact CZ3-CG 4.32Å
535	H	96.6	Very high	95.9	Very high	38 Å²	38	47.1 Å²	47.1	18%	0.176	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	137.6	165.3	171.3	-60.1	0	0	0	108.1	E520 D537 Y538 L542	E520-H535 CarbonylContact O-C 3.6Å; E520-H535 WeakPolarHBondContact O-CA 3.34Å; H535-D537 IonicContact CE1-OD2 3.23Å; H535-D537 PolarHBondContact CE1-OD2 3.26Å; H535-D537 PolarHBondContact ND1-N 2.76Å; H535-D537 PolarHBondContact O-N 2.92Å; H535-D537 VanDerWaalsContact O-N 3.09Å; H535-Y538 HydrophobicContact CB-CD2 3.79Å; H535-Y538 HydrophobicContact CB-CE2 4.32Å; H535-Y538 AromaticContact CG-CD2 3.69Å; H535-Y538 AromaticContact CG-CE2 3.85Å; H535-Y538 AromaticContact ND1-CD2 3.46Å; H535-Y538 WeakPolarHBondContact ND1-CD2 3.49Å; H535-Y538 AromaticContact ND1-CE2 3.58Å; H535-Y538 PolarHBondContact O-N 3.29Å; H535-L542 HydrophobicContact CB-CD1 3.54Å; H535-L542 HydrophobicContact CB-CD2 4.31Å; H535-L542 HydrophobicContact CB-CG 3.95Å
536	I	94.7	Very high	95.8	Very high	12 Å²	12	52 Å²	52	6%	0.062	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-29.1	-162.4	-158	177.2	0	0	0	113.7	I477 K489 Y502 W514 E520	I477-I536 HydrophobicContact CD1-CD1 4.43Å; I477-I536 HydrophobicContact CG2-CD1 4.25Å; K489-I536 HydrophobicContact CD-CD1 4.11Å; K489-I536 HydrophobicContact CD-CG1 3.91Å; K489-I536 VanDerWaalsContact CE-CD1 3.48Å; Y502-I536 WeakPolarHBondContact OH-CA 3.34Å; Y502-I536 WeakPolarHBondContact OH-CG1 3.45Å; Y502-I536 PolarHBondContact OH-O 3.32Å; W514-I536 HydrophobicContact CH2-CD1 3.9Å; W514-I536 HydrophobicContact CZ3-CD1 4.49Å; E520-I536 HydrophobicContact CB-CG2 3.95Å; E520-I536 HydrophobicContact CG-CG2 4.26Å; E520-I536 WeakPolarHBondContact O-CB 3.32Å; E520-I536 PolarHBondContact O-N 3.28Å
537	D	94.3	Very high	95.2	Very high	114 Å²	114	56.1 Å²	56.1	61%	0.61	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-3.5	-180	-58.1	-37.3	0	0	0	114.6	H535	H535-D537 IonicContact CE1-OD2 3.23Å; H535-D537 PolarHBondContact CE1-OD2 3.26Å; H535-D537 PolarHBondContact ND1-N 2.76Å; H535-D537 PolarHBondContact O-N 2.92Å; H535-D537 VanDerWaalsContact O-N 3.09Å
538	Y	94.6	Very high	94.5	Very high	133 Å²	133	57.7 Å²	57.7	52%	0.522	28%	0.276	S	S	.	.			trans	-115.7	127.1	-178.8	-57.6	-67.1	0	0	0	111.6	Y502 H535 K540 L542	Y502-Y538 WeakPolarHBondContact CD1-O 3.46Å; Y502-Y538 WeakPolarHBondContact CE1-O 3.32Å; H535-Y538 HydrophobicContact CB-CD2 3.79Å; H535-Y538 HydrophobicContact CB-CE2 4.32Å; H535-Y538 AromaticContact CG-CD2 3.69Å; H535-Y538 AromaticContact CG-CE2 3.85Å; H535-Y538 AromaticContact ND1-CD2 3.46Å; H535-Y538 WeakPolarHBondContact ND1-CD2 3.49Å; H535-Y538 AromaticContact ND1-CE2 3.58Å; H535-Y538 PolarHBondContact O-N 3.29Å; Y538-K540 VanDerWaalsContact C-N 3.25Å; Y538-K540 PolarHBondContact O-N 3.04Å; Y538-L542 HydrophobicContact CD2-CD2 3.98Å; Y538-L542 HydrophobicContact CE2-CD2 4.38Å
539	Q	91.4	Very high	94.2	Very high	130 Å²	130	63.8 Å²	63.8	61%	0.607	31%	0.305	S	S	*	.	S	Bend	trans	-70.1	-20.4	177.7	-70	-177.7	-13.9	0	0	113.9
540	K	95	Very high	94	Very high	171 Å²	171	61.5 Å²	61.5	74%	0.743	30%	0.295	S	S	*	.	S	Bend	trans	-100.5	144.7	176.8	-68.3	-175.4	-179.9	-179.2	0	109.8	Y538	Y538-K540 VanDerWaalsContact C-N 3.25Å; Y538-K540 PolarHBondContact O-N 3.04Å
541	P	96.7	Very high	93.9	Very high	31 Å²	31	64.4 Å²	64.4	20%	0.201	31%	0.313	C	S	.	.			trans	-63.5	143.9	174.9	29.6	-36.2	0	0	0	110.4	A504 R532 L533 W534 T544	A504-P541 HydrophobicContact CB-CG 4.4Å; R532-P541 HydrophobicContact CB-CB 4.06Å; R532-P541 HydrophobicContact CG-CB 4.15Å; R532-P541 HydrophobicContact CG-CG 4.46Å; L533-P541 CarbonylContact O-C 3.57Å; L533-P541 WeakPolarHBondContact O-CA 3.46Å; W534-P541 HydrophobicContact CD2-CB 4.07Å; W534-P541 HydrophobicContact CE3-CB 3.95Å; W534-P541 HydrophobicContact CH2-CB 4.2Å; W534-P541 HydrophobicContact CH2-CG 4.34Å; W534-P541 HydrophobicContact CZ2-CB 4.27Å; W534-P541 HydrophobicContact CZ3-CB 4Å; W534-P541 HydrophobicContact CZ3-CG 4.32Å; P541-T544 WeakPolarHBondContact CG-OG1 3.47Å
542	L	96.4	Very high	93.7	Very high	86 Å²	86	64.9 Å²	64.9	45%	0.45	32%	0.315	S	S	.	.	S	Bend	trans	-69.7	-42	173.7	-65.5	-177.4	0	0	0	111.3	L533 H535 Y538	L533-L542 PolarHBondContact O-N 3.43Å; H535-L542 HydrophobicContact CB-CD1 3.54Å; H535-L542 HydrophobicContact CB-CD2 4.31Å; H535-L542 HydrophobicContact CB-CG 3.95Å; Y538-L542 HydrophobicContact CD2-CD2 3.98Å; Y538-L542 HydrophobicContact CE2-CD2 4.38Å
543	I	96.3	Very high	93.4	Very high	45 Å²	45	65.1 Å²	65.1	23%	0.231	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	136.7	179.9	-52.7	179.1	0	0	0	107.7	R532 L533 I545 L578 T582	R532-I543 WeakPolarHBondContact CA-O 3.41Å; L533-I543 HydrophobicContact CB-CB 3.94Å; L533-I543 HydrophobicContact CB-CG1 4.36Å; L533-I543 HydrophobicContact CD2-CD1 3.72Å; L533-I543 HydrophobicContact CD2-CG1 4.05Å; L533-I543 PolarHBondContact N-O 3.45Å; L533-I543 PolarHBondContact O-N 2.86Å; I543-I545 HydrophobicContact CG2-CD1 4.32Å; I543-I545 HydrophobicContact CG2-CG1 3.82Å; I543-L578 HydrophobicContact CD1-CD2 4.22Å; I543-T582 HydrophobicContact CD1-CG2 4.15Å; I543-T582 HydrophobicContact CG2-CG2 3.94Å
544	T	96.5	Very high	93.1	Very high	66 Å²	66	64.3 Å²	64.3	41%	0.405	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	120.9	168.2	-60.7	0	0	0	0	107.7	T530 R532 P541	T530-T544 HydrophobicContact CG2-CG2 4.19Å; R532-T544 HydrophobicContact CG-CG2 4.07Å; R532-T544 PolarHBondContact NE-OG1 2.64Å; P541-T544 WeakPolarHBondContact CG-OG1 3.47Å
545	I	96.1	Very high	92.9	Very high	8 Å²	8	64.4 Å²	64.4	4%	0.041	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	121.4	-179.6	-58.9	173	0	0	0	107	T530 I531 I543 F565 W576 L578	T530-I545 WeakPolarHBondContact CA-O 3.41Å; I531-I545 HydrophobicContact CB-CB 4.26Å; I531-I545 PolarHBondContact N-O 2.64Å; I531-I545 PolarHBondContact O-N 3.34Å; I543-I545 HydrophobicContact CG2-CD1 4.32Å; I543-I545 HydrophobicContact CG2-CG1 3.82Å; I545-F565 HydrophobicContact CD1-CE1 4.2Å; I545-F565 HydrophobicContact CD1-CZ 3.61Å; I545-W576 HydrophobicContact CD1-CE3 4.25Å; I545-W576 HydrophobicContact CG2-CD2 4.37Å; I545-W576 HydrophobicContact CG2-CE3 4.11Å; I545-W576 HydrophobicContact CG2-CH2 3.27Å; I545-W576 HydrophobicContact CG2-CZ2 3.56Å; I545-W576 HydrophobicContact CG2-CZ3 3.57Å; I545-L578 HydrophobicContact CD1-CD2 4.09Å
546	Q	93.6	Very high	92.7	Very high	104 Å²	104	62.8 Å²	62.8	49%	0.486	31%	0.31	S	S	.	.			trans	-141.3	106.2	176.9	-176.3	178.8	1.4	0	0	107.7	T530	T530-Q546 HydrophobicContact CG2-CB 4.09Å; T530-Q546 HydrophobicContact CG2-CG 4.21Å
547	R	85.9	Confident	92.5	Very high	85 Å²	85	62.6 Å²	62.6	32%	0.321	31%	0.309	S	S	.	.			trans	-100.9	-52.7	-176	-168.4	-174.3	76.3	89.8	-14	112.1	E574 W576	R547-E574 IonicContact CZ-OE1 3.93Å; R547-E574 IonicContact NE-OE1 3.06Å; R547-E574 PolarHBondContact NE-OE1 3.03Å; R547-E574 IonicContact NE-OE2 2.64Å; R547-E574 IonicContact NH2-OE1 3.62Å; R547-E574 PolarHBondContact NH2-OE1 2.81Å; R547-W576 HydrophobicContact CB-CH2 4.29Å; R547-W576 HydrophobicContact CB-CZ2 4.42Å
548	N	80.8	Confident	92.3	Very high	54 Å²	54	57.2 Å²	57.2	29%	0.289	28%	0.28	S	S	.	.	S	Bend	trans	-119.7	167.5	-177.8	-64.2	-10.9	0	0	0	111	T550	N548-T550 HydrophobicContact CB-CG2 4Å; N548-T550 PolarHBondContact O-N 3.02Å; N548-T550 VanDerWaalsContact O-N 3.16Å
549	M	87.6	Confident	91.7	Very high	144 Å²	144	52.8 Å²	52.8	71%	0.709	27%	0.268	S	S	*	.	S	Bend	trans	-88.8	49.4	175.6	-60.8	-62.3	159.8	0	0	111.5	M529	M529-M549 WeakPolarHBondContact SD-CA 3.32Å; M529-M549 HydrophobicContact SD-CB 3.99Å; M529-M549 HydrophobicContact SD-SD 4.05Å
550	T	91.9	Very high	91.1	Very high	14 Å²	14	52.7 Å²	52.7	9%	0.086	26%	0.262	C	S	.	.	S	Bend	trans	-130.4	144.3	-171.5	60.3	0	0	0	0	110.6	M529 N548 E570	M529-T550 WeakPolarHBondContact CA-O 3.22Å; M529-T550 VanDerWaalsContact CB-O 3.27Å; M529-T550 WeakPolarHBondContact CB-O 3.4Å; M529-T550 WeakPolarHBondContact CG-O 3.27Å; N548-T550 HydrophobicContact CB-CG2 4Å; N548-T550 PolarHBondContact O-N 3.02Å; N548-T550 VanDerWaalsContact O-N 3.16Å; T550-E570 HydrophobicContact CG2-CB 4.29Å; T550-E570 HydrophobicContact CG2-CG 3.73Å; T550-E570 WeakPolarHBondContact CG2-OE1 3.36Å; T550-E570 VanDerWaalsContact CG2-OE2 3.25Å; T550-E570 WeakPolarHBondContact CG2-OE2 3.35Å
551	T	92.8	Very high	90.6	Very high	65 Å²	65	46.6 Å²	46.6	40%	0.399	24%	0.237	S	C	.	.			trans	-68.9	148.4	178.9	61.3	0	0	0	0	111.3	P553	T551-P553 WeakPolarHBondContact O-CD 3.24Å
552	I	94.3	Very high	90.3	Very high	11 Å²	11	47.5 Å²	47.5	6%	0.056	24%	0.244	C	C	.	.			trans	-114	92	-177.1	-54.9	179.8	0	0	0	108.4	Y510 C525 I531 S554 I555	Y510-I552 WeakPolarHBondContact CD2-O 3.4Å; C525-I552 HydrophobicContact CB-CB 4.05Å; C525-I552 HydrophobicContact CB-CG2 3.62Å; C525-I552 PolarHBondContact SG-O 2.65Å; I531-I552 HydrophobicContact CD1-CD1 4Å; I531-I552 HydrophobicContact CD1-CG2 4.33Å; I531-I552 HydrophobicContact CG1-CD1 3.42Å; I531-I552 VanDerWaalsContact CG1-CD1 3.42Å; I531-I552 HydrophobicContact CG1-CG2 4.19Å; I552-S554 VanDerWaalsContact C-N 3.31Å; I552-S554 PolarHBondContact O-N 2.83Å; I552-I555 HydrophobicContact CG2-CG2 4.17Å
553	P	91.3	Very high	90.1	Very high	38 Å²	38	46.5 Å²	46.5	25%	0.247	24%	0.239	C	C	.	.			trans	-72.4	-24.4	-171.2	28.6	-35.7	0	0	0	113.2	Y510 T551 I568	Y510-P553 WeakPolarHBondContact CB-O 3.4Å; T551-P553 WeakPolarHBondContact O-CD 3.24Å; P553-I568 WeakPolarHBondContact CD-O 3.42Å; P553-I568 HydrophobicContact CG-CB 4.35Å; P553-I568 HydrophobicContact CG-CG2 4.06Å
554	S	91.2	Very high	89.8	Confident	2 Å²	2	44.5 Å²	44.5	1%	0.014	23%	0.229	C	C	.	.			trans	-154.7	147.9	-173.6	-176	0	0	0	0	112.6	Q511 I552 I568 T598 V600	Q511-S554 VanDerWaalsContact OE1-CB 3.29Å; Q511-S554 PolarHBondContact OE1-OG 3.39Å; I552-S554 VanDerWaalsContact C-N 3.31Å; I552-S554 PolarHBondContact O-N 2.83Å; S554-I568 PolarHBondContact O-N 2.93Å; S554-T598 WeakPolarHBondContact CB-O 3.29Å; S554-V600 PolarHBondContact OG-N 3.09Å
555	I	94	Very high	89.6	Confident	1 Å²	1	41.4 Å²	41.4	1%	0.005	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	154	173.4	52.2	166.9	0	0	0	109.6	Q511 L523 C525 I531 I552 A566	Q511-I555 HydrophobicContact CB-CG1 4.06Å; Q511-I555 HydrophobicContact CG-CG1 4.05Å; Q511-I555 PolarHBondContact NE2-O 2.94Å; Q511-I555 PolarHBondContact OE1-O 2.9Å; L523-I555 HydrophobicContact CB-CD1 3.73Å; C525-I555 HydrophobicContact CB-CB 4.48Å; C525-I555 HydrophobicContact CB-CD1 4.25Å; C525-I555 HydrophobicContact CB-CG1 4.18Å; C525-I555 HydrophobicContact CB-CG2 3.57Å; I531-I555 HydrophobicContact CD1-CG2 4.14Å; I531-I555 HydrophobicContact CG1-CG2 4.41Å; I531-I555 HydrophobicContact CG2-CG2 4.45Å; I552-I555 HydrophobicContact CG2-CG2 4.17Å; I555-A566 CarbonylContact C-O 3.53Å; I555-A566 VanDerWaalsContact CA-O 3.24Å; I555-A566 WeakPolarHBondContact CA-O 3.48Å
556	S	91.7	Very high	89.3	Confident	4 Å²	4	41 Å²	41	3%	0.028	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	135.8	171.6	-167.1	0	0	0	0	111.9	E513 F565 A566 F602	E513-S556 WeakPolarHBondContact OE2-CA 3.37Å; S556-F565 CarbonylContact O-C 3.55Å; S556-F565 VanDerWaalsContact O-CA 3.23Å; S556-F565 WeakPolarHBondContact O-CA 3.21Å; S556-F565 VanDerWaalsContact O-CB 3.26Å; S556-F565 WeakPolarHBondContact O-CB 3.18Å; S556-A566 PolarHBondContact N-O 2.91Å; S556-A566 PolarHBondContact O-N 2.87Å; S556-F602 WeakPolarHBondContact O-CD2 3.28Å; S556-F602 WeakPolarHBondContact O-CE2 3.41Å; S556-F602 WeakPolarHBondContact OG-CD2 3.28Å; S556-F602 PolarHBondContact OG-N 3.17Å; S556-F602 VanDerWaalsContact OG-N 3.11Å
557	W	90.1	Very high	89.3	Confident	9 Å²	9	36.1 Å²	36.1	3%	0.034	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	132.8	176.7	-149.1	-52.2	0	0	0	110.5	E513 S515 P516 I521 L523 L533 S562 F602	E513-W557 VanDerWaalsContact CD-CB 3.47Å; E513-W557 HydrophobicContact CG-CB 4.03Å; E513-W557 VanDerWaalsContact OE1-CB 3.26Å; E513-W557 WeakPolarHBondContact OE1-CB 3.48Å; E513-W557 PolarHBondContact OE1-N 2.85Å; E513-W557 PolarHBondContact OE2-N 2.77Å; S515-W557 VanDerWaalsContact CA-CE3 3.41Å; S515-W557 VanDerWaalsContact CB-CH2 3.46Å; S515-W557 VanDerWaalsContact CB-CZ2 3.46Å; S515-W557 VanDerWaalsContact N-CE3 3.34Å; S515-W557 WeakPolarHBondContact OG-CZ2 3.42Å; P516-W557 VanDerWaalsContact CD-CD1 3.43Å; P516-W557 VanDerWaalsContact CD-CG 3.42Å; P516-W557 HydrophobicContact CG-CG 4.27Å; I521-W557 HydrophobicContact CB-CH2 4.48Å; I521-W557 HydrophobicContact CG2-CH2 3.62Å; I521-W557 HydrophobicContact CG2-CZ2 4.5Å; I521-W557 HydrophobicContact CG2-CZ3 4.39Å; L523-W557 HydrophobicContact CB-CE3 4.16Å; L523-W557 HydrophobicContact CB-CZ3 3.92Å; L523-W557 HydrophobicContact CD1-CD2 3.91Å; L523-W557 HydrophobicContact CD1-CE3 3.52Å; L523-W557 HydrophobicContact CD1-CH2 4.02Å; L523-W557 HydrophobicContact CD1-CZ2 4.41Å; L523-W557 HydrophobicContact CD1-CZ3 3.6Å; L523-W557 HydrophobicContact CG-CE3 3.82Å; L523-W557 HydrophobicContact CG-CH2 3.87Å; L523-W557 HydrophobicContact CG-CZ3 3.41Å; L523-W557 VanDerWaalsContact CG-CZ3 3.41Å; L533-W557 HydrophobicContact CD1-CH2 3.68Å; L533-W557 HydrophobicContact CD1-CZ2 4.49Å; L533-W557 HydrophobicContact CD1-CZ3 4.38Å; W557-S562 PolarHBondContact NE1-O 3.21Å; W557-S562 VanDerWaalsContact NE1-O 3.16Å; W557-F602 WeakPolarHBondContact O-CD2 3.37Å
558	S	89.3	Confident	89.4	Confident	1 Å²	1	32.1 Å²	32.1	1%	0.007	17%	0.17	C	C	.	.			trans	-59.9	129	172.9	176.2	0	0	0	0	109.8	P516 F517 R560 N561 I564 E608	P516-S558 WeakPolarHBondContact CG-O 3.43Å; F517-S558 VanDerWaalsContact CE2-O 3.29Å; F517-S558 WeakPolarHBondContact CE2-O 3.32Å; S558-R560 PolarHBondContact O-N 3.41Å; S558-R560 PolarHBondContact OG-N 3.25Å; S558-N561 WeakPolarHBondContact CB-O 3.41Å; S558-N561 PolarHBondContact OG-N 3.43Å; S558-I564 WeakPolarHBondContact CB-O 3.36Å; S558-I564 PolarHBondContact N-O 2.72Å; S558-E608 WeakPolarHBondContact CB-OE1 3.27Å; S558-E608 PolarHBondContact OG-OE1 3.36Å
559	P	83.8	Confident	89.7	Confident	40 Å²	40	29.7 Å²	29.7	26%	0.26	16%	0.157	S	C	.	.	S	Bend	trans	-77.5	-9.2	178.7	29.7	-33.2	0	0	0	112.8	F517 F602 S603	F517-P559 WeakPolarHBondContact CZ-O 3.48Å; P559-F602 HydrophobicContact CG-CB 4.47Å; P559-S603 WeakPolarHBondContact CG-O 3.38Å
560	R	77.5	Confident	89.4	Confident	127 Å²	127	28.9 Å²	28.9	48%	0.479	15%	0.152	S	C	.	.	S	Bend	trans	-113	-24.6	-176.7	-64.8	-58.3	-169.9	102.4	3.5	114.5	E183 S558 S606	E183-R560 IonicContact OE1-CZ 2.99Å; E183-R560 IonicContact OE1-NH1 3.18Å; E183-R560 PolarHBondContact OE1-NH1 3.42Å; E183-R560 IonicContact OE1-NH2 3.64Å; S558-R560 PolarHBondContact O-N 3.41Å; S558-R560 PolarHBondContact OG-N 3.25Å; R560-S606 WeakPolarHBondContact CG-O 3.29Å
561	N	84.9	Confident	88.8	Confident	43 Å²	43	28.2 Å²	28.2	23%	0.23	15%	0.147	C	C	.	.			trans	-126.6	127.9	178.8	-171.2	-22.2	0	0	0	111.8	F517 S558 L563 I564 E608	F517-N561 WeakPolarHBondContact CE2-O 3.25Å; S558-N561 WeakPolarHBondContact CB-O 3.41Å; S558-N561 PolarHBondContact OG-N 3.43Å; N561-L563 VanDerWaalsContact C-N 3.27Å; N561-L563 PolarHBondContact O-N 3.2Å; N561-L563 PolarHBondContact OD1-N 3.36Å; N561-I564 HydrophobicContact CB-CB 4.24Å; N561-I564 HydrophobicContact CB-CG1 4.22Å; N561-I564 WeakPolarHBondContact ND2-CD1 3.42Å; N561-E608 VanDerWaalsContact CB-CD 3.46Å; N561-E608 WeakPolarHBondContact CB-OE1 3.28Å; N561-E608 WeakPolarHBondContact CB-OE2 3.24Å; N561-E608 PolarHBondContact ND2-OE2 3.18Å
562	S	90.6	Very high	88.6	Confident	50 Å²	50	26.1 Å²	26.1	35%	0.35	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-22.2	-177	58.2	0	0	0	0	114.2	F517 W557	F517-S562 VanDerWaalsContact CD2-CB 3.46Å; F517-S562 VanDerWaalsContact CE2-CA 3.42Å; F517-S562 VanDerWaalsContact CE2-N 3.32Å; W557-S562 PolarHBondContact NE1-O 3.21Å; W557-S562 VanDerWaalsContact NE1-O 3.16Å
563	L	91.3	Very high	88.3	Confident	66 Å²	66	26.1 Å²	26.1	35%	0.346	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.7	-2.8	-174.6	-57.8	179.7	0	0	0	113.3	N561 L578 D579	N561-L563 VanDerWaalsContact C-N 3.27Å; N561-L563 PolarHBondContact O-N 3.2Å; N561-L563 PolarHBondContact OD1-N 3.36Å; L563-L578 HydrophobicContact CB-CB 4.28Å; L563-L578 HydrophobicContact CD2-CB 4.39Å; L563-L578 WeakPolarHBondContact O-CG 3.01Å; L563-L578 PolarHBondContact O-N 3.25Å; L563-D579 HydrophobicContact CD1-CB 3.8Å
564	I	91.1	Very high	88.2	Confident	3 Å²	3	24.5 Å²	24.5	2%	0.015	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	134.4	-172.2	-58.6	-161	0	0	0	111.9	S558 N561 I575 W576 N577 F602 E608 F613	S558-I564 WeakPolarHBondContact CB-O 3.36Å; S558-I564 PolarHBondContact N-O 2.72Å; N561-I564 HydrophobicContact CB-CB 4.24Å; N561-I564 HydrophobicContact CB-CG1 4.22Å; N561-I564 WeakPolarHBondContact ND2-CD1 3.42Å; I564-I575 HydrophobicContact CG2-CG2 3.9Å; I564-W576 VanDerWaalsContact CA-O 3.25Å; I564-W576 WeakPolarHBondContact CA-O 3.16Å; I564-W576 WeakPolarHBondContact CG2-O 3.49Å; I564-N577 HydrophobicContact CD1-CB 4.05Å; I564-N577 HydrophobicContact CG1-CB 4.11Å; I564-F602 HydrophobicContact CG2-CZ 4.33Å; I564-E608 VanDerWaalsContact CB-OE1 3.32Å; I564-E608 WeakPolarHBondContact CB-OE1 3.4Å; I564-E608 WeakPolarHBondContact CD1-OE2 3.19Å; I564-E608 WeakPolarHBondContact CG2-OE1 3.47Å; I564-F613 HydrophobicContact CD1-CE1 3.44Å; I564-F613 VanDerWaalsContact CD1-CE1 3.44Å; I564-F613 HydrophobicContact CD1-CZ 3.59Å; I564-F613 HydrophobicContact CG2-CD1 4.37Å; I564-F613 HydrophobicContact CG2-CE1 3.7Å; I564-F613 HydrophobicContact CG2-CZ 4.45Å
565	F	91.2	Very high	88.2	Confident	1 Å²	1	24.4 Å²	24.4	0%	0.004	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	161	171.6	66.4	-88.8	0	0	0	109.8	L523 I531 I545 S556 W576 L578	L523-F565 HydrophobicContact CD1-CB 3.8Å; L523-F565 HydrophobicContact CD1-CD1 3.86Å; L523-F565 HydrophobicContact CD1-CD2 4.27Å; L523-F565 HydrophobicContact CD1-CG 3.7Å; I531-F565 HydrophobicContact CD1-CE2 3.8Å; I531-F565 HydrophobicContact CG2-CE2 4.12Å; I531-F565 HydrophobicContact CG2-CZ 4.43Å; I545-F565 HydrophobicContact CD1-CE1 4.2Å; I545-F565 HydrophobicContact CD1-CZ 3.61Å; S556-F565 CarbonylContact O-C 3.55Å; S556-F565 VanDerWaalsContact O-CA 3.23Å; S556-F565 WeakPolarHBondContact O-CA 3.21Å; S556-F565 VanDerWaalsContact O-CB 3.26Å; S556-F565 WeakPolarHBondContact O-CB 3.18Å; F565-W576 HydrophobicContact CD1-CB 3.91Å; F565-W576 HydrophobicContact CD2-CB 4.09Å; F565-W576 AromaticContact CD2-CD1 3.93Å; F565-W576 HydrophobicContact CD2-CG 4.23Å; F565-W576 HydrophobicContact CE1-CB 3.41Å; F565-W576 VanDerWaalsContact CE1-CB 3.41Å; F565-W576 HydrophobicContact CE1-CG 4.04Å; F565-W576 HydrophobicContact CE2-CB 3.61Å; F565-W576 AromaticContact CE2-CD1 3.25Å; F565-W576 HydrophobicContact CE2-CD2 4.32Å; F565-W576 AromaticContact CE2-CG 3.43Å; F565-W576 HydrophobicContact CE2-CG 3.43Å; F565-W576 VanDerWaalsContact CE2-CG 3.43Å; F565-W576 HydrophobicContact CG-CB 4.22Å; F565-W576 HydrophobicContact CZ-CB 3.24Å; F565-W576 AromaticContact CZ-CD1 3.67Å; F565-W576 HydrophobicContact CZ-CD2 4Å; F565-W576 AromaticContact CZ-CG 3.31Å; F565-W576 HydrophobicContact CZ-CG 3.31Å; F565-W576 PolarHBondContact N-O 3.04Å; F565-W576 PolarHBondContact O-N 3.4Å; F565-L578 HydrophobicContact CD1-CG 4.46Å; F565-L578 HydrophobicContact CE1-CD1 4.33Å; F565-L578 HydrophobicContact CE1-CD2 3.79Å; F565-L578 HydrophobicContact CE1-CG 3.96Å
566	A	91	Very high	88.1	Confident	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	144.8	177.5	0	0	0	0	0	109.7	I555 S556 L573 E574 I575 V600 F602 Y615	I555-A566 CarbonylContact C-O 3.53Å; I555-A566 VanDerWaalsContact CA-O 3.24Å; I555-A566 WeakPolarHBondContact CA-O 3.48Å; S556-A566 PolarHBondContact N-O 2.91Å; S556-A566 PolarHBondContact O-N 2.87Å; A566-L573 HydrophobicContact CB-CD1 4.3Å; A566-E574 CarbonylContact C-O 3.59Å; A566-E574 WeakPolarHBondContact CA-O 3.49Å; A566-I575 HydrophobicContact CB-CD1 3.7Å; A566-V600 HydrophobicContact CB-CG2 3.84Å; A566-F602 HydrophobicContact CB-CD2 4.44Å; A566-F602 HydrophobicContact CB-CE2 3.65Å; A566-F602 HydrophobicContact CB-CZ 4.09Å; A566-Y615 HydrophobicContact CB-CE1 3.99Å
567	S	92.1	Very high	88.1	Confident	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	156.8	172.7	60.9	0	0	0	0	111.2	I531 E574 W576	I531-S567 VanDerWaalsContact CD1-CB 3.41Å; S567-E574 PolarHBondContact N-O 3.34Å; S567-E574 PolarHBondContact O-N 2.89Å; S567-E574 PolarHBondContact OG-OE2 2.77Å; S567-W576 PolarHBondContact OG-NE1 3.26Å
568	I	88.8	Confident	88.2	Confident	1 Å²	1	26.7 Å²	26.7	1%	0.005	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	136.7	174.7	-69.6	165.7	0	0	0	109.3	P553 S554 V572 M597 S599 V600	P553-I568 WeakPolarHBondContact CD-O 3.42Å; P553-I568 HydrophobicContact CG-CB 4.35Å; P553-I568 HydrophobicContact CG-CG2 4.06Å; S554-I568 PolarHBondContact O-N 2.93Å; I568-V572 WeakPolarHBondContact CA-O 3.36Å; I568-M597 HydrophobicContact CD1-CB 3.88Å; I568-M597 HydrophobicContact CG1-CB 4.27Å; I568-M597 HydrophobicContact CG1-CE 4.15Å; I568-M597 HydrophobicContact CG2-CB 3.55Å; I568-M597 HydrophobicContact CG2-CE 4.1Å; I568-M597 WeakPolarHBondContact CG2-O 3.33Å; I568-S599 VanDerWaalsContact CD1-O 3.28Å; I568-S599 WeakPolarHBondContact CD1-O 3.24Å; I568-V600 HydrophobicContact CD1-CB 3.6Å; I568-V600 HydrophobicContact CD1-CG1 4.05Å; I568-V600 HydrophobicContact CG1-CB 4.02Å; I568-V600 HydrophobicContact CG1-CG1 4.21Å
569	A	86.8	Confident	88.3	Confident	3 Å²	3	32.6 Å²	32.6	3%	0.025	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	113.5	170.9	0	0	0	0	0	109.1	G571 V572	A569-G571 PolarHBondContact O-N 3.28Å; A569-V572 PolarHBondContact N-O 2.88Å; A569-V572 WeakPolarHBondContact O-CA 3.12Å; A569-V572 VanDerWaalsContact O-CB 3.26Å; A569-V572 WeakPolarHBondContact O-CB 3.41Å; A569-V572 PolarHBondContact O-N 3Å
570	E	82.6	Confident	88.5	Confident	127 Å²	127	37.9 Å²	37.9	59%	0.593	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	42	56.3	175.8	-75	-176.4	-178.7	0	0	115.4	T550 V572	T550-E570 HydrophobicContact CG2-CB 4.29Å; T550-E570 HydrophobicContact CG2-CG 3.73Å; T550-E570 WeakPolarHBondContact CG2-OE1 3.36Å; T550-E570 VanDerWaalsContact CG2-OE2 3.25Å; T550-E570 WeakPolarHBondContact CG2-OE2 3.35Å; E570-V572 PolarHBondContact O-N 3.21Å
571	G	78.3	Confident	89.2	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.8	-0	177.8	0	0	0	0	0	115.1	A569 I591 M597	A569-G571 PolarHBondContact O-N 3.28Å; G571-I591 PolarHBondContact O-N 3.26Å; G571-I591 VanDerWaalsContact O-N 3.1Å; G571-M597 VanDerWaalsContact O-CE 3.26Å; G571-M597 WeakPolarHBondContact O-CE 3.49Å
572	V	87.9	Confident	89.5	Confident	22 Å²	22	33.9 Å²	33.9	13%	0.133	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	130.8	171.9	-174	0	0	0	0	110	I568 A569 E570 E574 S588 E589 M597	I568-V572 WeakPolarHBondContact CA-O 3.36Å; A569-V572 PolarHBondContact N-O 2.88Å; A569-V572 WeakPolarHBondContact O-CA 3.12Å; A569-V572 VanDerWaalsContact O-CB 3.26Å; A569-V572 WeakPolarHBondContact O-CB 3.41Å; A569-V572 PolarHBondContact O-N 3Å; E570-V572 PolarHBondContact O-N 3.21Å; V572-E574 HydrophobicContact CG1-CG 4.16Å; V572-S588 WeakPolarHBondContact CG1-OG 3.33Å; V572-E589 WeakPolarHBondContact CA-O 3.21Å; V572-M597 WeakPolarHBondContact O-CE 3.5Å
573	L	88.8	Confident	89.6	Confident	10 Å²	10	36.2 Å²	36.2	5%	0.052	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	125.3	168	175.4	65.4	0	0	0	108.5	V276 A566 I575 S588 E589 I591 M597 V600 Y615	V276-L573 HydrophobicContact CG2-CD2 4.26Å; A566-L573 HydrophobicContact CB-CD1 4.3Å; L573-I575 HydrophobicContact CD1-CD1 3.88Å; L573-I575 HydrophobicContact CD2-CD1 4.08Å; L573-I575 HydrophobicContact CG-CD1 3.77Å; L573-S588 WeakPolarHBondContact O-CA 3.03Å; L573-E589 PolarHBondContact N-O 3.42Å; L573-E589 PolarHBondContact O-N 3.47Å; L573-I591 HydrophobicContact CB-CD1 3.42Å; L573-I591 VanDerWaalsContact CB-CD1 3.42Å; L573-I591 HydrophobicContact CB-CG1 4Å; L573-I591 HydrophobicContact CD2-CD1 3.71Å; L573-I591 HydrophobicContact CG-CD1 4.18Å; L573-M597 HydrophobicContact CB-CE 4Å; L573-V600 HydrophobicContact CD1-CG2 4.06Å; L573-Y615 HydrophobicContact CD2-CG 4.42Å
574	E	90.4	Very high	89.6	Confident	5 Å²	5	37.8 Å²	37.8	2%	0.023	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	127.4	178.4	-64.9	173.7	177.8	0	0	109.8	R547 A566 S567 V572 W576 P585 I587	R547-E574 IonicContact CZ-OE1 3.93Å; R547-E574 IonicContact NE-OE1 3.06Å; R547-E574 PolarHBondContact NE-OE1 3.03Å; R547-E574 IonicContact NE-OE2 2.64Å; R547-E574 IonicContact NH2-OE1 3.62Å; R547-E574 PolarHBondContact NH2-OE1 2.81Å; A566-E574 CarbonylContact C-O 3.59Å; A566-E574 WeakPolarHBondContact CA-O 3.49Å; S567-E574 PolarHBondContact N-O 3.34Å; S567-E574 PolarHBondContact O-N 2.89Å; S567-E574 PolarHBondContact OG-OE2 2.77Å; V572-E574 HydrophobicContact CG1-CG 4.16Å; E574-W576 WeakPolarHBondContact OE2-CZ2 3.41Å; E574-W576 PolarHBondContact OE2-NE1 3.15Å; E574-P585 HydrophobicContact CB-CB 4.11Å; E574-P585 HydrophobicContact CG-CB 4.48Å; E574-P585 HydrophobicContact CG-CG 4.37Å; E574-I587 CarbonylContact C-O 3.58Å; E574-I587 WeakPolarHBondContact CA-O 3.43Å
575	I	90.5	Very high	89.5	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	120.1	174.4	-49.2	-45.9	0	0	0	107.5	I564 A566 L573 Y586 I587 F613 Y615	I564-I575 HydrophobicContact CG2-CG2 3.9Å; A566-I575 HydrophobicContact CB-CD1 3.7Å; L573-I575 HydrophobicContact CD1-CD1 3.88Å; L573-I575 HydrophobicContact CD2-CD1 4.08Å; L573-I575 HydrophobicContact CG-CD1 3.77Å; I575-Y586 WeakPolarHBondContact O-CA 3.4Å; I575-Y586 WeakPolarHBondContact O-CB 3.39Å; I575-Y586 PolarHBondContact O-N 3.48Å; I575-I587 HydrophobicContact CB-CB 4Å; I575-I587 HydrophobicContact CB-CG1 4.38Å; I575-I587 HydrophobicContact CG1-CB 4.07Å; I575-I587 HydrophobicContact CG1-CD1 4.41Å; I575-I587 PolarHBondContact N-O 2.99Å; I575-I587 PolarHBondContact O-N 2.98Å; I575-I587 VanDerWaalsContact O-N 3.1Å; I575-F613 HydrophobicContact CG2-CD1 4.01Å; I575-F613 HydrophobicContact CG2-CD2 4.29Å; I575-F613 HydrophobicContact CG2-CE1 3.88Å; I575-F613 HydrophobicContact CG2-CE2 4.09Å; I575-F613 HydrophobicContact CG2-CG 4.24Å; I575-F613 HydrophobicContact CG2-CZ 3.9Å; I575-Y615 HydrophobicContact CD1-CD2 4.22Å; I575-Y615 HydrophobicContact CD1-CE1 3.85Å; I575-Y615 HydrophobicContact CD1-CE2 3.36Å; I575-Y615 WeakPolarHBondContact CD1-OH 3.45Å; I575-Y615 HydrophobicContact CG1-CD2 4.44Å; I575-Y615 HydrophobicContact CG1-CE2 3.53Å; I575-Y615 HydrophobicContact CG2-CE2 4.32Å; I575-Y615 WeakPolarHBondContact CG2-OH 3.45Å
576	W	92	Very high	89.4	Confident	2 Å²	2	40.3 Å²	40.3	1%	0.008	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	137.2	-177.8	-67.5	86.7	0	0	0	109.7	I545 R547 I564 F565 S567 E574 V583 D584 P585	I545-W576 HydrophobicContact CD1-CE3 4.25Å; I545-W576 HydrophobicContact CG2-CD2 4.37Å; I545-W576 HydrophobicContact CG2-CE3 4.11Å; I545-W576 HydrophobicContact CG2-CH2 3.27Å; I545-W576 HydrophobicContact CG2-CZ2 3.56Å; I545-W576 HydrophobicContact CG2-CZ3 3.57Å; R547-W576 HydrophobicContact CB-CH2 4.29Å; R547-W576 HydrophobicContact CB-CZ2 4.42Å; I564-W576 VanDerWaalsContact CA-O 3.25Å; I564-W576 WeakPolarHBondContact CA-O 3.16Å; I564-W576 WeakPolarHBondContact CG2-O 3.49Å; F565-W576 HydrophobicContact CD1-CB 3.91Å; F565-W576 HydrophobicContact CD2-CB 4.09Å; F565-W576 AromaticContact CD2-CD1 3.93Å; F565-W576 HydrophobicContact CD2-CG 4.23Å; F565-W576 HydrophobicContact CE1-CB 3.41Å; F565-W576 VanDerWaalsContact CE1-CB 3.41Å; F565-W576 HydrophobicContact CE1-CG 4.04Å; F565-W576 HydrophobicContact CE2-CB 3.61Å; F565-W576 AromaticContact CE2-CD1 3.25Å; F565-W576 HydrophobicContact CE2-CD2 4.32Å; F565-W576 AromaticContact CE2-CG 3.43Å; F565-W576 HydrophobicContact CE2-CG 3.43Å; F565-W576 VanDerWaalsContact CE2-CG 3.43Å; F565-W576 HydrophobicContact CG-CB 4.22Å; F565-W576 HydrophobicContact CZ-CB 3.24Å; F565-W576 AromaticContact CZ-CD1 3.67Å; F565-W576 HydrophobicContact CZ-CD2 4Å; F565-W576 AromaticContact CZ-CG 3.31Å; F565-W576 HydrophobicContact CZ-CG 3.31Å; F565-W576 PolarHBondContact N-O 3.04Å; F565-W576 PolarHBondContact O-N 3.4Å; S567-W576 PolarHBondContact OG-NE1 3.26Å; E574-W576 WeakPolarHBondContact OE2-CZ2 3.41Å; E574-W576 PolarHBondContact OE2-NE1 3.15Å; W576-V583 WeakPolarHBondContact CH2-O 3.43Å; W576-D584 VanDerWaalsContact CZ3-C 3.49Å; W576-P585 HydrophobicContact CD2-CB 4.02Å; W576-P585 HydrophobicContact CE3-CB 4.27Å; W576-P585 HydrophobicContact CH2-CB 4.29Å; W576-P585 HydrophobicContact CZ2-CB 4.05Å; W576-P585 HydrophobicContact CZ2-CG 4.47Å; W576-P585 HydrophobicContact CZ3-CB 4.4Å
577	N	91.2	Very high	89.3	Confident	27 Å²	27	40.8 Å²	40.8	14%	0.144	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	110.5	165.5	179.7	-5.2	0	0	0	107.4	I564 D579 Y580 S581 Y586	I564-N577 HydrophobicContact CD1-CB 4.05Å; I564-N577 HydrophobicContact CG1-CB 4.11Å; N577-D579 PolarHBondContact O-N 2.99Å; N577-D579 WeakPolarHBondContact OD1-CB 3.28Å; N577-D579 PolarHBondContact OD1-N 3.17Å; N577-Y580 WeakPolarHBondContact O-CB 3.35Å; N577-Y580 PolarHBondContact O-N 2.78Å; N577-S581 PolarHBondContact O-N 2.73Å; N577-S581 VanDerWaalsContact O-N 3.13Å; N577-Y586 HydrophobicContact CB-CG 4.16Å
578	L	92.3	Very high	89.1	Confident	32 Å²	32	43.8 Å²	43.8	17%	0.168	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-19.8	-176.5	-67.2	176	0	0	0	113.3	L533 I543 I545 L563 F565 T582	L533-L578 HydrophobicContact CD2-CD1 4.27Å; I543-L578 HydrophobicContact CD1-CD2 4.22Å; I545-L578 HydrophobicContact CD1-CD2 4.09Å; L563-L578 HydrophobicContact CB-CB 4.28Å; L563-L578 HydrophobicContact CD2-CB 4.39Å; L563-L578 WeakPolarHBondContact O-CG 3.01Å; L563-L578 PolarHBondContact O-N 3.25Å; F565-L578 HydrophobicContact CD1-CG 4.46Å; F565-L578 HydrophobicContact CE1-CD1 4.33Å; F565-L578 HydrophobicContact CE1-CD2 3.79Å; F565-L578 HydrophobicContact CE1-CG 3.96Å; L578-T582 HydrophobicContact CD2-CG2 4.26Å
579	D	91.1	Very high	88.9	Confident	126 Å²	126	46.1 Å²	46.1	67%	0.674	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-27.9	173	-156.9	32.9	0	0	0	112.5	L563 N577	L563-D579 HydrophobicContact CD1-CB 3.8Å; N577-D579 PolarHBondContact O-N 2.99Å; N577-D579 WeakPolarHBondContact OD1-CB 3.28Å; N577-D579 PolarHBondContact OD1-N 3.17Å
580	Y	89.3	Confident	89	Confident	151 Å²	151	50.3 Å²	50.3	59%	0.592	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-55.6	-179.1	179.9	-102.7	0	0	0	110.9	N577 Y586	N577-Y580 WeakPolarHBondContact O-CB 3.35Å; N577-Y580 PolarHBondContact O-N 2.78Å; Y580-Y586 AromaticContact CD1-CD2 3.94Å; Y580-Y586 HydrophobicContact CD1-CD2 3.94Å; Y580-Y586 HydrophobicContact CD2-CD2 4.07Å; Y580-Y586 HydrophobicContact CD2-CE2 4.27Å; Y580-Y586 HydrophobicContact CE1-CD2 4.35Å; Y580-Y586 HydrophobicContact CE2-CD2 4.46Å; Y580-Y586 AromaticContact CG-CD2 3.8Å; Y580-Y586 HydrophobicContact CG-CD2 3.8Å; Y580-Y586 HydrophobicContact CG-CE2 4.43Å
581	S	91	Very high	88.8	Confident	26 Å²	26	45.7 Å²	45.7	18%	0.182	25%	0.247	C	C	.	.			trans	-168	146.2	-176.7	154.8	0	0	0	0	111.4	N577 V583 D584	N577-S581 PolarHBondContact O-N 2.73Å; N577-S581 VanDerWaalsContact O-N 3.13Å; S581-V583 PolarHBondContact OG-N 2.86Å; S581-D584 WeakPolarHBondContact CB-O 3.17Å; S581-D584 PolarHBondContact OG-N 3.16Å; S581-D584 PolarHBondContact OG-O 2.85Å
582	T	91.2	Very high	88.5	Confident	60 Å²	60	46.4 Å²	46.4	37%	0.368	25%	0.252	S	S	.	.	S	Bend	trans	-100.5	-1.3	170.4	56.3	0	0	0	0	113.1	I543 L578	I543-T582 HydrophobicContact CD1-CG2 4.15Å; I543-T582 HydrophobicContact CG2-CG2 3.94Å; L578-T582 HydrophobicContact CD2-CG2 4.26Å
583	V	91.8	Very high	87.8	Confident	99 Å²	99	51.6 Å²	51.6	60%	0.6	28%	0.284	S	S	*	.	S	Bend	trans	-105	-53.9	-177.5	-179.9	0	0	0	0	110.4	W576 S581	W576-V583 WeakPolarHBondContact CH2-O 3.43Å; S581-V583 PolarHBondContact OG-N 2.86Å
584	D	91.4	Very high	87.1	Confident	98 Å²	98	58.1 Å²	58.1	52%	0.524	31%	0.314	S	S	.	.	S	Bend	trans	-104.4	139	176.3	-61.8	-48.1	0	0	0	111.6	W576 S581	W576-D584 VanDerWaalsContact CZ3-C 3.49Å; S581-D584 WeakPolarHBondContact CB-O 3.17Å; S581-D584 PolarHBondContact OG-N 3.16Å; S581-D584 PolarHBondContact OG-O 2.85Å
585	P	90.8	Very high	86.3	Confident	20 Å²	20	58.2 Å²	58.2	13%	0.13	32%	0.315	C	S	.	.			trans	-70.1	154.3	176.1	31.1	-35.5	0	0	0	110.3	E574 W576	E574-P585 HydrophobicContact CB-CB 4.11Å; E574-P585 HydrophobicContact CG-CB 4.48Å; E574-P585 HydrophobicContact CG-CG 4.37Å; W576-P585 HydrophobicContact CD2-CB 4.02Å; W576-P585 HydrophobicContact CE3-CB 4.27Å; W576-P585 HydrophobicContact CH2-CB 4.29Å; W576-P585 HydrophobicContact CZ2-CB 4.05Å; W576-P585 HydrophobicContact CZ2-CG 4.47Å; W576-P585 HydrophobicContact CZ3-CB 4.4Å
586	Y	88.2	Confident	85.7	Confident	38 Å²	38	64 Å²	64	15%	0.149	35%	0.346	C	S	.	.	S	Bend	trans	-70.2	-34.2	176.1	-173.5	-121.3	0	0	0	112.1	P274 I575 N577 Y580 N611 F613	P274-Y586 HydrophobicContact CB-CD1 4.45Å; P274-Y586 HydrophobicContact CB-CE1 3.82Å; P274-Y586 HydrophobicContact CG-CD1 4.11Å; P274-Y586 HydrophobicContact CG-CD2 4.47Å; P274-Y586 HydrophobicContact CG-CE1 3.68Å; P274-Y586 HydrophobicContact CG-CE2 4.04Å; P274-Y586 HydrophobicContact CG-CG 4.5Å; I575-Y586 WeakPolarHBondContact O-CA 3.4Å; I575-Y586 WeakPolarHBondContact O-CB 3.39Å; I575-Y586 PolarHBondContact O-N 3.48Å; N577-Y586 HydrophobicContact CB-CG 4.16Å; Y580-Y586 AromaticContact CD1-CD2 3.94Å; Y580-Y586 HydrophobicContact CD1-CD2 3.94Å; Y580-Y586 HydrophobicContact CD2-CD2 4.07Å; Y580-Y586 HydrophobicContact CD2-CE2 4.27Å; Y580-Y586 HydrophobicContact CE1-CD2 4.35Å; Y580-Y586 HydrophobicContact CE2-CD2 4.46Å; Y580-Y586 AromaticContact CG-CD2 3.8Å; Y580-Y586 HydrophobicContact CG-CD2 3.8Å; Y580-Y586 HydrophobicContact CG-CE2 4.43Å; Y586-N611 WeakPolarHBondContact OH-CB 3.32Å; Y586-N611 PolarHBondContact OH-OD1 3.45Å; Y586-F613 AromaticContact CD1-CE2 3.41Å; Y586-F613 HydrophobicContact CD1-CE2 3.41Å; Y586-F613 VanDerWaalsContact CD1-CE2 3.41Å; Y586-F613 AromaticContact CD1-CZ 3.61Å; Y586-F613 HydrophobicContact CD1-CZ 3.61Å; Y586-F613 AromaticContact CE1-CE2 3.47Å; Y586-F613 HydrophobicContact CE1-CE2 3.47Å; Y586-F613 VanDerWaalsContact CE1-CE2 3.47Å; Y586-F613 AromaticContact CE1-CZ 3.77Å; Y586-F613 HydrophobicContact CE1-CZ 3.77Å
587	I	88.1	Confident	85.3	Confident	9 Å²	9	65.3 Å²	65.3	5%	0.046	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	138.8	170.1	-54.4	178.2	0	0	0	108.8	P274 V276 E574 I575 F613	P274-I587 HydrophobicContact CB-CD1 3.76Å; P274-I587 HydrophobicContact CB-CG1 3.83Å; P274-I587 HydrophobicContact CG-CD1 4.32Å; P274-I587 HydrophobicContact CG-CG1 3.82Å; V276-I587 HydrophobicContact CG2-CD1 4.5Å; V276-I587 HydrophobicContact CG2-CG2 4.16Å; E574-I587 CarbonylContact C-O 3.58Å; E574-I587 WeakPolarHBondContact CA-O 3.43Å; I575-I587 HydrophobicContact CB-CB 4Å; I575-I587 HydrophobicContact CB-CG1 4.38Å; I575-I587 HydrophobicContact CG1-CB 4.07Å; I575-I587 HydrophobicContact CG1-CD1 4.41Å; I575-I587 PolarHBondContact N-O 2.99Å; I575-I587 PolarHBondContact O-N 2.98Å; I575-I587 VanDerWaalsContact O-N 3.1Å; I587-F613 HydrophobicContact CD1-CD2 3.29Å; I587-F613 HydrophobicContact CD1-CE2 3.59Å; I587-F613 HydrophobicContact CD1-CG 4.38Å; I587-F613 HydrophobicContact CG1-CD2 4.39Å; I587-F613 HydrophobicContact CG1-CE2 4.25Å
588	S	89.3	Confident	85	Confident	64 Å²	64	66 Å²	66	45%	0.448	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	116.8	167.6	-170.5	0	0	0	0	108.4	V572 L573	V572-S588 WeakPolarHBondContact CG1-OG 3.33Å; L573-S588 WeakPolarHBondContact O-CA 3.03Å
589	E	85.1	Confident	84.7	Confident	50 Å²	50	65.9 Å²	65.9	23%	0.234	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	124.8	-176.9	-168.7	167.3	155.1	0	0	110.7	V276 V572 L573 I591	V276-E589 WeakPolarHBondContact CA-OE2 3.43Å; V276-E589 WeakPolarHBondContact CB-OE2 3.38Å; V276-E589 PolarHBondContact N-OE2 2.84Å; V572-E589 WeakPolarHBondContact CA-O 3.21Å; L573-E589 PolarHBondContact N-O 3.42Å; L573-E589 PolarHBondContact O-N 3.47Å; E589-I591 PolarHBondContact O-N 3.45Å
590	T	87.1	Confident	84.7	Confident	91 Å²	91	60.5 Å²	60.5	56%	0.558	33%	0.332	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.3	110.4	174.5	-56.4	0	0	0	0	108.9	T593	T590-T593 HydrophobicContact CG2-CG2 4.09Å
591	I	78.4	Confident	84.7	Confident	30 Å²	30	55.6 Å²	55.6	15%	0.154	32%	0.315	C	S	.	.			trans	-89	-38.6	-174.3	-64.6	-167.4	0	0	0	111	G571 L573 E589 M597 Q617 T619	G571-I591 PolarHBondContact O-N 3.26Å; G571-I591 VanDerWaalsContact O-N 3.1Å; L573-I591 HydrophobicContact CB-CD1 3.42Å; L573-I591 VanDerWaalsContact CB-CD1 3.42Å; L573-I591 HydrophobicContact CB-CG1 4Å; L573-I591 HydrophobicContact CD2-CD1 3.71Å; L573-I591 HydrophobicContact CG-CD1 4.18Å; E589-I591 PolarHBondContact O-N 3.45Å; I591-M597 HydrophobicContact CB-CE 4.15Å; I591-M597 HydrophobicContact CB-SD 3.85Å; I591-M597 HydrophobicContact CD1-CE 4.07Å; I591-M597 HydrophobicContact CD1-SD 3.78Å; I591-M597 HydrophobicContact CG1-CE 4.23Å; I591-M597 HydrophobicContact CG1-SD 4.22Å; I591-M597 HydrophobicContact CG2-SD 4.02Å; I591-Q617 HydrophobicContact CD1-CG 4.41Å; I591-Q617 HydrophobicContact CG2-CG 4.23Å; I591-T619 HydrophobicContact CG2-CG2 3.36Å; I591-T619 WeakPolarHBondContact CG2-OG1 3.14Å
592	S	72.3	Confident	84.4	Confident	15 Å²	15	55 Å²	55	11%	0.105	31%	0.31	C	S	.	.			trans	-147.6	134.6	179	51.9	0	0	0	0	110.6	S595	S592-S595 WeakPolarHBondContact CB-OG 3.35Å; S592-S595 PolarHBondContact OG-O 2.8Å; S592-S595 PolarHBondContact OG-OG 3.47Å
593	T	73.7	Confident	83.9	Confident	130 Å²	130	52.4 Å²	52.4	80%	0.798	29%	0.294	S	S	*	.	S	Bend	trans	-93.1	-20.8	173.5	48.8	0	0	0	0	112.8	T590	T590-T593 HydrophobicContact CG2-CG2 4.09Å
594	E	73.9	Confident	82.7	Confident	147 Å²	147	52.1 Å²	52.1	69%	0.687	29%	0.286	S	S	*	.	S	Bend	trans	-95.7	-25	-172.5	-64.4	173.8	173.8	0	0	112.9
595	S	73.1	Confident	81.3	Confident	7 Å²	7	49.2 Å²	49.2	5%	0.049	27%	0.271	C	S	.	.	S	Bend	trans	-129.1	139.6	-175.2	60.8	0	0	0	0	111.7	S592	S592-S595 WeakPolarHBondContact CB-OG 3.35Å; S592-S595 PolarHBondContact OG-O 2.8Å; S592-S595 PolarHBondContact OG-OG 3.47Å
596	N	78.8	Confident	79.5	Confident	123 Å²	123	48.9 Å²	48.9	66%	0.658	27%	0.27	S	S	*	.			trans	-79.8	130.6	172.9	-71.4	-29	0	0	0	110.4
597	M	82.8	Confident	77.4	Confident	29 Å²	29	47.7 Å²	47.7	14%	0.143	27%	0.265	C	S	.	.			trans	-76.4	140.3	171.3	-65.8	-169.6	-65.9	0	0	110.2	I568 G571 V572 L573 I591	I568-M597 HydrophobicContact CD1-CB 3.88Å; I568-M597 HydrophobicContact CG1-CB 4.27Å; I568-M597 HydrophobicContact CG1-CE 4.15Å; I568-M597 HydrophobicContact CG2-CB 3.55Å; I568-M597 HydrophobicContact CG2-CE 4.1Å; I568-M597 WeakPolarHBondContact CG2-O 3.33Å; G571-M597 VanDerWaalsContact O-CE 3.26Å; G571-M597 WeakPolarHBondContact O-CE 3.49Å; V572-M597 WeakPolarHBondContact O-CE 3.5Å; L573-M597 HydrophobicContact CB-CE 4Å; I591-M597 HydrophobicContact CB-CE 4.15Å; I591-M597 HydrophobicContact CB-SD 3.85Å; I591-M597 HydrophobicContact CD1-CE 4.07Å; I591-M597 HydrophobicContact CD1-SD 3.78Å; I591-M597 HydrophobicContact CG1-CE 4.23Å; I591-M597 HydrophobicContact CG1-SD 4.22Å; I591-M597 HydrophobicContact CG2-SD 4.02Å
598	T	84.8	Confident	75	Confident	42 Å²	42	49.7 Å²	49.7	26%	0.258	28%	0.275	S	S	.	.			trans	-117.6	-24.9	-172.7	53.1	0	0	0	0	113.5	I292 F312 S554	I292-T598 PolarHBondContact O-OG1 3.47Å; F312-T598 HydrophobicContact CE2-CG2 3.75Å; F312-T598 HydrophobicContact CZ-CG2 4Å; S554-T598 WeakPolarHBondContact CB-O 3.29Å
599	S	87.4	Confident	72.2	Confident	28 Å²	28	47.8 Å²	47.8	20%	0.196	26%	0.259	C	S	.	.			trans	-145.1	138.9	-174.2	-171.7	0	0	0	0	111.3	I568	I568-S599 VanDerWaalsContact CD1-O 3.28Å; I568-S599 WeakPolarHBondContact CD1-O 3.24Å
600	V	89.8	Confident	69.5	Low	14 Å²	14	50.1 Å²	50.1	9%	0.085	28%	0.281	C	S	.	.			trans	-126.8	140.8	170.4	60.5	0	0	0	0	109.2	S554 A566 I568 L573	S554-V600 PolarHBondContact OG-N 3.09Å; A566-V600 HydrophobicContact CB-CG2 3.84Å; I568-V600 HydrophobicContact CD1-CB 3.6Å; I568-V600 HydrophobicContact CD1-CG1 4.05Å; I568-V600 HydrophobicContact CG1-CB 4.02Å; I568-V600 HydrophobicContact CG1-CG1 4.21Å; L573-V600 HydrophobicContact CD1-CG2 4.06Å
601	L	89	Confident	66.7	Low	48 Å²	48	50.7 Å²	50.7	25%	0.251	28%	0.281	S	S	.	.			trans	-146	121.9	179.3	-178.9	63.7	0	0	0	110.4	M295 W297 L305	M295-L601 HydrophobicContact CB-CD2 4Å; W297-L601 HydrophobicContact CG-CD2 4.29Å; L305-L601 HydrophobicContact CD1-CD2 4.41Å
602	F	85.8	Confident	64.3	Low	14 Å²	14	52.7 Å²	52.7	6%	0.061	29%	0.288	C	S	.	.			trans	-67.9	143.3	166.8	-80.9	-85.4	0	0	0	111	S556 W557 P559 I564 A566 S606 Y615	S556-F602 WeakPolarHBondContact O-CD2 3.28Å; S556-F602 WeakPolarHBondContact O-CE2 3.41Å; S556-F602 WeakPolarHBondContact OG-CD2 3.28Å; S556-F602 PolarHBondContact OG-N 3.17Å; S556-F602 VanDerWaalsContact OG-N 3.11Å; W557-F602 WeakPolarHBondContact O-CD2 3.37Å; P559-F602 HydrophobicContact CG-CB 4.47Å; I564-F602 HydrophobicContact CG2-CZ 4.33Å; A566-F602 HydrophobicContact CB-CD2 4.44Å; A566-F602 HydrophobicContact CB-CE2 3.65Å; A566-F602 HydrophobicContact CB-CZ 4.09Å; F602-S606 WeakPolarHBondContact CD1-OG 3.26Å; F602-Y615 AromaticContact CD1-CE1 3.76Å; F602-Y615 HydrophobicContact CD1-CE1 3.76Å; F602-Y615 HydrophobicContact CE1-CD1 4.39Å; F602-Y615 AromaticContact CE1-CE1 3.33Å; F602-Y615 HydrophobicContact CE1-CE1 3.33Å; F602-Y615 HydrophobicContact CE1-CE2 4.5Å; F602-Y615 AromaticContact CE1-CZ 3.39Å; F602-Y615 WeakPolarHBondContact CE1-OH 3.4Å; F602-Y615 HydrophobicContact CE2-CE1 4.15Å; F602-Y615 HydrophobicContact CG-CE1 4.39Å; F602-Y615 AromaticContact CZ-CE1 3.61Å; F602-Y615 HydrophobicContact CZ-CE1 3.61Å; F602-Y615 AromaticContact CZ-CZ 3.55Å; F602-Y615 WeakPolarHBondContact CZ-OH 2.81Å
603	S	79.4	Confident	62.4	Low	5 Å²	5	52.5 Å²	52.5	4%	0.035	29%	0.286	C	S	.	.			trans	-75.4	141.9	167.5	175.2	0	0	0	0	109.4	P559 T605 S606	P559-S603 WeakPolarHBondContact CG-O 3.38Å; S603-T605 PolarHBondContact O-N 3.45Å; S603-T605 VanDerWaalsContact O-N 3.13Å; S603-T605 PolarHBondContact OG-N 3.49Å; S603-T605 PolarHBondContact OG-OG1 3.07Å; S603-S606 PolarHBondContact N-OG 2.8Å; S603-S606 VanDerWaalsContact O-CB 3.3Å; S603-S606 WeakPolarHBondContact O-CB 3.16Å; S603-S606 PolarHBondContact O-N 3.22Å; S603-S606 PolarHBondContact O-OG 3.41Å
604	E	68	Low	60.3	Low	92 Å²	92	47.2 Å²	47.2	43%	0.43	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-22.7	172.5	-62.7	-174.3	173.1	0	0	112	K299	K299-E604 WeakPolarHBondContact CD-OE1 3.49Å; K299-E604 IonicContact NZ-OE1 3.64Å; K299-E604 PolarHBondContact NZ-OE1 2.78Å
605	T	61.6	Low	58.8	Low	37 Å²	37	40.7 Å²	40.7	23%	0.227	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-6.1	172.2	61.3	0	0	0	0	114.1	P302 S603 Q607	P302-T605 HydrophobicContact CB-CG2 3.51Å; P302-T605 HydrophobicContact CG-CG2 3.89Å; S603-T605 PolarHBondContact O-N 3.45Å; S603-T605 VanDerWaalsContact O-N 3.13Å; S603-T605 PolarHBondContact OG-N 3.49Å; S603-T605 PolarHBondContact OG-OG1 3.07Å; T605-Q607 PolarHBondContact O-N 3.34Å
606	S	52.3	Low	57.2	Low	13 Å²	13	41.4 Å²	41.4	9%	0.091	23%	0.225	C	C	.	.			trans	-60.9	127.7	-177.7	59.1	0	0	0	0	110.4	R560 F602 S603	R560-S606 WeakPolarHBondContact CG-O 3.29Å; F602-S606 WeakPolarHBondContact CD1-OG 3.26Å; S603-S606 PolarHBondContact N-OG 2.8Å; S603-S606 VanDerWaalsContact O-CB 3.3Å; S603-S606 WeakPolarHBondContact O-CB 3.16Å; S603-S606 PolarHBondContact O-N 3.22Å; S603-S606 PolarHBondContact O-OG 3.41Å
607	Q	45	Very low	55.2	Low	13 Å²	13	37.1 Å²	37.1	6%	0.061	20%	0.202	C	C	.	.			trans	-105.6	140.2	179.5	-73.9	171.2	5.7	0	0	109.9	L179 L180 E183 T605 I609 V614	L179-Q607 PolarHBondContact O-OE1 2.71Å; L180-Q607 VanDerWaalsContact CA-OE1 3.24Å; L180-Q607 PolarHBondContact O-NE2 3.33Å; L180-Q607 PolarHBondContact O-OE1 2.91Å; E183-Q607 PolarHBondContact OE1-NE2 3.19Å; E183-Q607 PolarHBondContact OE2-NE2 2.88Å; T605-Q607 PolarHBondContact O-N 3.34Å; Q607-I609 HydrophobicContact CB-CD1 4.33Å; Q607-I609 HydrophobicContact CB-CG1 4.08Å; Q607-V614 PolarHBondContact O-N 3.25Å
608	E	38.4	Very low	53.1	Low	52 Å²	52	37.4 Å²	37.4	24%	0.243	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	114.8	158.5	-65.6	177.1	-168.5	0	0	107.3	S558 N561 I564 F613	S558-E608 WeakPolarHBondContact CB-OE1 3.27Å; S558-E608 PolarHBondContact OG-OE1 3.36Å; N561-E608 VanDerWaalsContact CB-CD 3.46Å; N561-E608 WeakPolarHBondContact CB-OE1 3.28Å; N561-E608 WeakPolarHBondContact CB-OE2 3.24Å; N561-E608 PolarHBondContact ND2-OE2 3.18Å; I564-E608 VanDerWaalsContact CB-OE1 3.32Å; I564-E608 WeakPolarHBondContact CB-OE1 3.4Å; I564-E608 WeakPolarHBondContact CD1-OE2 3.19Å; I564-E608 WeakPolarHBondContact CG2-OE1 3.47Å; E608-F613 HydrophobicContact CG-CD1 3.66Å; E608-F613 HydrophobicContact CG-CE1 3.73Å
609	I	30.7	Very low	50.5	Low	23 Å²	23	36 Å²	36	12%	0.118	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	106	176.3	-58.9	149.8	0	0	0	106.3	L179 K182 Q607 N611 K612 V614	L179-I609 HydrophobicContact CB-CD1 3.7Å; L179-I609 HydrophobicContact CD2-CD1 4.03Å; L179-I609 WeakPolarHBondContact O-CD1 3Å; K182-I609 HydrophobicContact CB-CG2 4.19Å; K182-I609 HydrophobicContact CD-CG2 4.36Å; Q607-I609 HydrophobicContact CB-CD1 4.33Å; Q607-I609 HydrophobicContact CB-CG1 4.08Å; I609-N611 PolarHBondContact O-N 2.92Å; I609-K612 PolarHBondContact N-O 3.38Å; I609-K612 WeakPolarHBondContact O-CA 2.96Å; I609-K612 WeakPolarHBondContact O-CB 3.15Å; I609-K612 PolarHBondContact O-N 2.75Å; I609-V614 HydrophobicContact CD1-CG2 4.12Å
610	S	27.9	Very low	47.7	Very low	99 Å²	99	36 Å²	36	69%	0.692	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	40.2	70.3	163.7	65.5	0	0	0	0	113.8	K612	S610-K612 PolarHBondContact O-N 2.87Å
611	N	26.9	Very low	44.7	Very low	104 Å²	104	36.3 Å²	36.3	56%	0.556	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.7	20.7	-178	-61.2	-21.5	0	0	0	115.8	P274 Y586 I609	P274-N611 VanDerWaalsContact CB-O 3.25Å; P274-N611 WeakPolarHBondContact CB-O 3.47Å; Y586-N611 WeakPolarHBondContact OH-CB 3.32Å; Y586-N611 PolarHBondContact OH-OD1 3.45Å; I609-N611 PolarHBondContact O-N 2.92Å
612	K	28.3	Very low	41.7	Very low	72 Å²	72	35.8 Å²	35.8	31%	0.313	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	120.4	170.8	-59.1	-173.5	-180	-170.9	0	108.4	I609 S610	I609-K612 PolarHBondContact N-O 3.38Å; I609-K612 WeakPolarHBondContact O-CA 2.96Å; I609-K612 WeakPolarHBondContact O-CB 3.15Å; I609-K612 PolarHBondContact O-N 2.75Å; S610-K612 PolarHBondContact O-N 2.87Å
613	F	33.8	Very low	38.8	Very low	11 Å²	11	40.7 Å²	40.7	5%	0.048	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	126	175.2	-57.2	-94.1	0	0	0	108.5	I564 I575 Y586 I587 E608 Y615	I564-F613 HydrophobicContact CD1-CE1 3.44Å; I564-F613 VanDerWaalsContact CD1-CE1 3.44Å; I564-F613 HydrophobicContact CD1-CZ 3.59Å; I564-F613 HydrophobicContact CG2-CD1 4.37Å; I564-F613 HydrophobicContact CG2-CE1 3.7Å; I564-F613 HydrophobicContact CG2-CZ 4.45Å; I575-F613 HydrophobicContact CG2-CD1 4.01Å; I575-F613 HydrophobicContact CG2-CD2 4.29Å; I575-F613 HydrophobicContact CG2-CE1 3.88Å; I575-F613 HydrophobicContact CG2-CE2 4.09Å; I575-F613 HydrophobicContact CG2-CG 4.24Å; I575-F613 HydrophobicContact CG2-CZ 3.9Å; Y586-F613 AromaticContact CD1-CE2 3.41Å; Y586-F613 HydrophobicContact CD1-CE2 3.41Å; Y586-F613 VanDerWaalsContact CD1-CE2 3.41Å; Y586-F613 AromaticContact CD1-CZ 3.61Å; Y586-F613 HydrophobicContact CD1-CZ 3.61Å; Y586-F613 AromaticContact CE1-CE2 3.47Å; Y586-F613 HydrophobicContact CE1-CE2 3.47Å; Y586-F613 VanDerWaalsContact CE1-CE2 3.47Å; Y586-F613 AromaticContact CE1-CZ 3.77Å; Y586-F613 HydrophobicContact CE1-CZ 3.77Å; I587-F613 HydrophobicContact CD1-CD2 3.29Å; I587-F613 HydrophobicContact CD1-CE2 3.59Å; I587-F613 HydrophobicContact CD1-CG 4.38Å; I587-F613 HydrophobicContact CG1-CD2 4.39Å; I587-F613 HydrophobicContact CG1-CE2 4.25Å; E608-F613 HydrophobicContact CG-CD1 3.66Å; E608-F613 HydrophobicContact CG-CE1 3.73Å; F613-Y615 HydrophobicContact CB-CD2 3.49Å; F613-Y615 VanDerWaalsContact CB-CD2 3.49Å; F613-Y615 HydrophobicContact CB-CE2 3.16Å; F613-Y615 HydrophobicContact CD1-CE2 4.09Å; F613-Y615 HydrophobicContact CG-CD2 4.49Å; F613-Y615 AromaticContact CG-CE2 3.73Å; F613-Y615 HydrophobicContact CG-CE2 3.73Å; F613-Y615 PolarHBondContact O-N 2.88Å
614	V	29.2	Very low	36.2	Very low	19 Å²	19	48 Å²	48	12%	0.115	26%	0.256	C	S	.	.			trans	-89.1	89.9	170.7	-168.6	0	0	0	0	107.3	Y176 L179 L279 Q607 I609	Y176-V614 HydrophobicContact CD2-CG1 4.22Å; Y176-V614 HydrophobicContact CE2-CG1 4.44Å; L179-V614 HydrophobicContact CB-CG2 3.73Å; L179-V614 HydrophobicContact CD1-CG1 4.05Å; L179-V614 HydrophobicContact CD1-CG2 3.81Å; L179-V614 HydrophobicContact CD2-CG2 4.06Å; L179-V614 HydrophobicContact CG-CG2 4.06Å; L279-V614 HydrophobicContact CD1-CG1 4.22Å; Q607-V614 PolarHBondContact O-N 3.25Å; I609-V614 HydrophobicContact CD1-CG2 4.12Å
615	Y	42.6	Very low	34	Very low	10 Å²	10	48.9 Å²	48.9	4%	0.039	27%	0.273	C	S	.	.			trans	-86.9	131.5	164.8	-70.8	-86.2	0	0	0	109.3	V276 A566 L573 I575 F602 F613 Q617	V276-Y615 HydrophobicContact CG1-CD2 4.08Å; V276-Y615 HydrophobicContact CG1-CG 4.33Å; V276-Y615 HydrophobicContact CG2-CD2 4.11Å; A566-Y615 HydrophobicContact CB-CE1 3.99Å; L573-Y615 HydrophobicContact CD2-CG 4.42Å; I575-Y615 HydrophobicContact CD1-CD2 4.22Å; I575-Y615 HydrophobicContact CD1-CE1 3.85Å; I575-Y615 HydrophobicContact CD1-CE2 3.36Å; I575-Y615 WeakPolarHBondContact CD1-OH 3.45Å; I575-Y615 HydrophobicContact CG1-CD2 4.44Å; I575-Y615 HydrophobicContact CG1-CE2 3.53Å; I575-Y615 HydrophobicContact CG2-CE2 4.32Å; I575-Y615 WeakPolarHBondContact CG2-OH 3.45Å; F602-Y615 AromaticContact CD1-CE1 3.76Å; F602-Y615 HydrophobicContact CD1-CE1 3.76Å; F602-Y615 HydrophobicContact CE1-CD1 4.39Å; F602-Y615 AromaticContact CE1-CE1 3.33Å; F602-Y615 HydrophobicContact CE1-CE1 3.33Å; F602-Y615 HydrophobicContact CE1-CE2 4.5Å; F602-Y615 AromaticContact CE1-CZ 3.39Å; F602-Y615 WeakPolarHBondContact CE1-OH 3.4Å; F602-Y615 HydrophobicContact CE2-CE1 4.15Å; F602-Y615 HydrophobicContact CG-CE1 4.39Å; F602-Y615 AromaticContact CZ-CE1 3.61Å; F602-Y615 HydrophobicContact CZ-CE1 3.61Å; F602-Y615 AromaticContact CZ-CZ 3.55Å; F602-Y615 WeakPolarHBondContact CZ-OH 2.81Å; F613-Y615 HydrophobicContact CB-CD2 3.49Å; F613-Y615 VanDerWaalsContact CB-CD2 3.49Å; F613-Y615 HydrophobicContact CB-CE2 3.16Å; F613-Y615 HydrophobicContact CD1-CE2 4.09Å; F613-Y615 HydrophobicContact CG-CD2 4.49Å; F613-Y615 AromaticContact CG-CE2 3.73Å; F613-Y615 HydrophobicContact CG-CE2 3.73Å; F613-Y615 PolarHBondContact O-N 2.88Å; Y615-Q617 VanDerWaalsContact C-N 3.31Å; Y615-Q617 PolarHBondContact O-N 3.38Å; Y615-Q617 VanDerWaalsContact O-N 3.12Å
616	L	37.9	Very low	32.2	Very low	22 Å²	22	55.2 Å²	55.2	12%	0.115	30%	0.304	C	S	.	.			trans	-74.7	96.6	157.1	-74.7	153	0	0	0	106.1	Y176 L279 W280 W297 L327 F618	Y176-L616 HydrophobicContact CE2-CD1 4.4Å; Y176-L616 HydrophobicContact CE2-CD2 4.34Å; Y176-L616 HydrophobicContact CE2-CG 4.44Å; L279-L616 HydrophobicContact CD1-CD2 4.35Å; W280-L616 HydrophobicContact CE3-CD2 3.38Å; W280-L616 HydrophobicContact CZ3-CD2 3.41Å; W280-L616 VanDerWaalsContact CZ3-CD2 3.41Å; W297-L616 HydrophobicContact CH2-CD1 3.66Å; W297-L616 HydrophobicContact CZ2-CD1 3.59Å; L327-L616 HydrophobicContact CD2-CD2 4.23Å; L616-F618 HydrophobicContact CB-CD2 4.21Å; L616-F618 HydrophobicContact CB-CE2 3.38Å; L616-F618 HydrophobicContact CB-CZ 3.59Å; L616-F618 HydrophobicContact CD1-CZ 4.41Å; L616-F618 HydrophobicContact CG-CZ 4.41Å; L616-F618 WeakPolarHBondContact O-CD2 3.44Å; L616-F618 VanDerWaalsContact O-CE2 3.3Å; L616-F618 WeakPolarHBondContact O-CE2 3.36Å; L616-F618 PolarHBondContact O-N 2.99Å; L616-F618 VanDerWaalsContact O-N 3.13Å
617	Q	37.2	Very low	30.8	Very low	33 Å²	33	58.3 Å²	58.3	15%	0.154	33%	0.33	C	S	.	.			trans	-65.4	109.2	173.1	175.1	173.9	-28.1	0	0	108.7	P278 I591 Y615 T619	P278-Q617 VanDerWaalsContact CB-OE1 3.26Å; I591-Q617 HydrophobicContact CD1-CG 4.41Å; I591-Q617 HydrophobicContact CG2-CG 4.23Å; Y615-Q617 VanDerWaalsContact C-N 3.31Å; Y615-Q617 PolarHBondContact O-N 3.38Å; Y615-Q617 VanDerWaalsContact O-N 3.12Å; Q617-T619 VanDerWaalsContact CD-OG1 3.29Å; Q617-T619 WeakPolarHBondContact CG-OG1 3.29Å; Q617-T619 PolarHBondContact NE2-OG1 2.89Å
618	F	39.7	Very low	29.9	Very low	34 Å²	34	64 Å²	64	15%	0.149	37%	0.366	C	S	.	.			trans	-99.8	69.4	168.6	-59.8	-81.6	0	0	0	108.6	F282 M295 W297 L305 L616 M620	F282-F618 AromaticContact CD2-CD1 3.71Å; F282-F618 HydrophobicContact CD2-CD1 3.71Å; F282-F618 AromaticContact CD2-CE1 3.65Å; F282-F618 HydrophobicContact CD2-CE1 3.65Å; F282-F618 AromaticContact CE2-CD1 3.84Å; F282-F618 HydrophobicContact CE2-CD1 3.84Å; F282-F618 AromaticContact CE2-CE1 3.34Å; F282-F618 HydrophobicContact CE2-CE1 3.34Å; F282-F618 HydrophobicContact CE2-CZ 4.35Å; F282-F618 HydrophobicContact CZ-CE1 4.29Å; M295-F618 HydrophobicContact CE-CB 3.77Å; M295-F618 HydrophobicContact CE-CD1 4.22Å; M295-F618 HydrophobicContact CE-CD2 3.46Å; M295-F618 VanDerWaalsContact CE-CD2 3.46Å; M295-F618 HydrophobicContact CE-CE2 4.1Å; M295-F618 HydrophobicContact CE-CG 3.54Å; W297-F618 HydrophobicContact CH2-CE2 4.35Å; W297-F618 AromaticContact CH2-CZ 3.69Å; W297-F618 HydrophobicContact CH2-CZ 3.69Å; W297-F618 AromaticContact CZ2-CE2 3.72Å; W297-F618 HydrophobicContact CZ2-CE2 3.72Å; W297-F618 AromaticContact CZ2-CZ 3.54Å; W297-F618 HydrophobicContact CZ2-CZ 3.54Å; L305-F618 HydrophobicContact CD2-CD1 3.71Å; L305-F618 HydrophobicContact CD2-CD2 4.29Å; L305-F618 HydrophobicContact CD2-CE1 3.18Å; L305-F618 HydrophobicContact CD2-CE2 3.83Å; L305-F618 HydrophobicContact CD2-CG 4.25Å; L305-F618 HydrophobicContact CD2-CZ 3.27Å; L616-F618 HydrophobicContact CB-CD2 4.21Å; L616-F618 HydrophobicContact CB-CE2 3.38Å; L616-F618 HydrophobicContact CB-CZ 3.59Å; L616-F618 HydrophobicContact CD1-CZ 4.41Å; L616-F618 HydrophobicContact CG-CZ 4.41Å; L616-F618 WeakPolarHBondContact O-CD2 3.44Å; L616-F618 VanDerWaalsContact O-CE2 3.3Å; L616-F618 WeakPolarHBondContact O-CE2 3.36Å; L616-F618 PolarHBondContact O-N 2.99Å; L616-F618 VanDerWaalsContact O-N 3.13Å; F618-M620 PolarHBondContact O-N 3.22Å
619	T	28.9	Very low	29.3	Very low	13 Å²	13	68.3 Å²	68.3	8%	0.08	39%	0.389	C	S	.	.			trans	-83.2	115.2	169.3	-31.4	0	0	0	0	108.4	I591 Q617	I591-T619 HydrophobicContact CG2-CG2 3.36Å; I591-T619 WeakPolarHBondContact CG2-OG1 3.14Å; Q617-T619 VanDerWaalsContact CD-OG1 3.29Å; Q617-T619 WeakPolarHBondContact CG-OG1 3.29Å; Q617-T619 PolarHBondContact NE2-OG1 2.89Å
620	M	30	Very low	29.2	Very low	28 Å²	28	74.5 Å²	74.5	14%	0.138	42%	0.423	C	S	.	.			trans	-115.3	106.2	166.5	-73	-70.1	-82.6	0	0	107.6	R281 F282 Q283 I292 F618 T622	R281-M620 HydrophobicContact CG-SD 4.46Å; F282-M620 WeakPolarHBondContact O-CE 3.23Å; Q283-M620 HydrophobicContact CB-CE 3.73Å; Q283-M620 HydrophobicContact CB-SD 3.62Å; Q283-M620 HydrophobicContact CG-CE 3.84Å; Q283-M620 HydrophobicContact CG-SD 4.17Å; I292-M620 HydrophobicContact CD1-CB 3.71Å; I292-M620 HydrophobicContact CD1-CG 3.89Å; I292-M620 HydrophobicContact CG1-CB 4.49Å; F618-M620 PolarHBondContact O-N 3.22Å; M620-T622 PolarHBondContact O-N 3.37Å
621	V	26.7	Very low	29.2	Very low	21 Å²	21	80.4 Å²	80.4	13%	0.127	45%	0.446	C	S	.	.			trans	-69	114.5	171	-177	0	0	0	0	106.6	D623	V621-D623 WeakPolarHBondContact CG1-OD1 3.11Å; V621-D623 PolarHBondContact O-N 3.27Å
622	T	26.7	Very low	29.4	Very low	37 Å²	37	79.2 Å²	79.2	23%	0.227	44%	0.441	C	S	.	.			trans	-78.5	102.2	153.4	41.5	0	0	0	0	106.2	H290 N291 M620 L624	H290-T622 WeakPolarHBondContact O-CG2 3.45Å; N291-T622 WeakPolarHBondContact OD1-CG2 3.25Å; N291-T622 PolarHBondContact OD1-OG1 2.72Å; M620-T622 PolarHBondContact O-N 3.37Å; T622-L624 PolarHBondContact O-N 3.49Å
623	D	24	Very low	29.4	Very low	116 Å²	116	79.6 Å²	79.6	62%	0.62	45%	0.448	S	S	*	.			trans	-59.1	112.7	167.2	-80.5	-24.5	0	0	0	106.6	V621 S625	V621-D623 WeakPolarHBondContact CG1-OD1 3.11Å; V621-D623 PolarHBondContact O-N 3.27Å; D623-S625 PolarHBondContact O-N 2.9Å
624	L	24.2	Very low	29.2	Very low	158 Å²	158	83.4 Å²	83.4	83%	0.827	47%	0.47	S	S	*	.			trans	-60	118.9	156.2	-140.7	88.1	0	0	0	105.1	T622 L626	T622-L624 PolarHBondContact O-N 3.49Å; L624-L626 VanDerWaalsContact C-N 3.32Å; L624-L626 PolarHBondContact O-N 2.84Å
625	S	22.6	Very low	29.2	Very low	112 Å²	112	87.2 Å²	87.2	78%	0.783	49%	0.491	S	S	*	.			trans	-53.4	97.1	173.2	52.9	0	0	0	0	109.6	D623 A627	D623-S625 PolarHBondContact O-N 2.9Å; S625-A627 PolarHBondContact O-N 3.18Å
626	L	23	Very low	28.3	Very low	170 Å²	170	92 Å²	92	89%	0.89	52%	0.519	S	S	*	.			trans	-64.9	123.5	156.3	-99.7	153.6	0	0	0	106.3	L624 T628	L624-L626 VanDerWaalsContact C-N 3.32Å; L624-L626 PolarHBondContact O-N 2.84Å; L626-T628 PolarHBondContact O-N 3.41Å
627	A	24.2	Very low	27.7	Very low	77 Å²	77	96.7 Å²	96.7	64%	0.636	55%	0.546	S	S	*	.			trans	-39.6	134.1	175.9	0	0	0	0	0	111.6	S625 I629	S625-A627 PolarHBondContact O-N 3.18Å; A627-I629 PolarHBondContact O-N 3.28Å
628	T	24.3	Very low	27	Very low	132 Å²	132	101.2 Å²	101.2	81%	0.81	57%	0.574	S	S	*	*			trans	-43.4	107.8	152.6	43.5	0	0	0	0	109.5	L626	L626-T628 PolarHBondContact O-N 3.41Å
629	I	26	Very low	26	Very low	143 Å²	143	106.4 Å²	106.4	73%	0.733	61%	0.606	S	S	*	*			trans	-117.2	79.9	148.1	-57.2	177.7	0	0	0	104.7	A627	A627-I629 PolarHBondContact O-N 3.28Å
630	D	28.8	Very low	25.8	Very low	153 Å²	153	114.2 Å²	114.2	82%	0.818	65%	0.65	S	S	*	*			trans	-95.5	81.5	155	-81.7	-28	0	0	0	106.7
631	N	29.1	Very low	25.4	Very low	223 Å²	223	122 Å²	122	100%	1.193	70%	0.697	S	S	*	*			trans	169	0	146.1	-93.5	-20.3	0	0	0	110.6

Retrieved 631 of 631 residues in 230.2 ms (Link to these results)

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