A0A3Q0KMK7_SCHMA Loading...

Putative leucine rich repeat-containing AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KMK7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 625 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

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	28.3	Very low	31	Very low	245 Å²	245	183.9 Å²	183.9	100%	1.207	86%	0.86	S	S	*	*				0	127.1	0	-71.4	179.8	173.7	0	0	107.7
2	I	30.9	Very low	31.2	Very low	155 Å²	155	177.3 Å²	177.3	80%	0.795	85%	0.849	S	S	*	*			cis	-131.5	123.9	46.8	-67.4	162.4	0	0	0	109.5	K4	I2-K4 HydrophobicContact CG2-CG 4.45Å; I2-K4 PolarHBondContact O-N 3.05Å; I2-K4 VanDerWaalsContact O-N 3.16Å
3	R	28.3	Very low	31.4	Very low	251 Å²	251	174 Å²	174	95%	0.947	85%	0.846	S	S	*	*			trans	-73.4	97.6	169.3	-83.4	-179	173.3	170.4	-1.8	108.2	G5	R3-G5 VanDerWaalsContact C-N 3.25Å; R3-G5 PolarHBondContact O-N 3.3Å
4	K	32.8	Very low	31.3	Very low	171 Å²	171	170.2 Å²	170.2	74%	0.743	84%	0.844	S	S	*	*			trans	-72.8	85.8	164.7	-81	-173.3	175.4	-179	0	108.4	I2 Y6	I2-K4 HydrophobicContact CG2-CG 4.45Å; I2-K4 PolarHBondContact O-N 3.05Å; I2-K4 VanDerWaalsContact O-N 3.16Å; K4-Y6 HydrophobicContact CB-CE2 4.48Å; K4-Y6 PolarHBondContact O-N 3.18Å; K4-Y6 VanDerWaalsContact O-N 3.14Å
5	G	34.4	Very low	31.3	Very low	64 Å²	64	166.4 Å²	166.4	66%	0.66	84%	0.841	S	S	*	*			trans	-68.5	101.4	169.7	0	0	0	0	0	109.7	R3 Y7	R3-G5 VanDerWaalsContact C-N 3.25Å; R3-G5 PolarHBondContact O-N 3.3Å; G5-Y7 VanDerWaalsContact C-N 3.32Å; G5-Y7 PolarHBondContact O-N 3.03Å; G5-Y7 VanDerWaalsContact O-N 3.1Å
6	Y	27.1	Very low	31.4	Very low	202 Å²	202	161.7 Å²	161.7	79%	0.792	84%	0.835	S	S	*	*			trans	-75.8	86.2	165.1	-78.2	-88.6	0	0	0	108.5	K4	K4-Y6 HydrophobicContact CB-CE2 4.48Å; K4-Y6 PolarHBondContact O-N 3.18Å; K4-Y6 VanDerWaalsContact O-N 3.14Å
7	Y	31.4	Very low	31.7	Very low	211 Å²	211	159.4 Å²	159.4	83%	0.827	83%	0.833	S	S	*	*			trans	-115.4	96.8	163.1	-87.6	-80.5	0	0	0	108.6	G5 R9	G5-Y7 VanDerWaalsContact C-N 3.32Å; G5-Y7 PolarHBondContact O-N 3.03Å; G5-Y7 VanDerWaalsContact O-N 3.1Å; Y7-R9 PolarHBondContact O-N 2.85Å
8	N	29.5	Very low	31.7	Very low	168 Å²	168	158.2 Å²	158.2	90%	0.898	83%	0.833	S	S	*	*			trans	-60.7	96	164.5	-86.5	-21.7	0	0	0	108.4
9	R	33	Very low	31.8	Very low	235 Å²	235	159.7 Å²	159.7	89%	0.887	84%	0.835	S	S	*	*			trans	-97.1	115.7	162.8	-94.9	-175.1	175.5	177.6	-0.7	109	Y7	Y7-R9 PolarHBondContact O-N 2.85Å
10	S	33	Very low	31.8	Very low	115 Å²	115	161.2 Å²	161.2	80%	0.804	84%	0.838	S	S	*	*			trans	-50.2	129.4	171.8	32.6	0	0	0	0	111.5	S12	S10-S12 PolarHBondContact O-N 3.21Å
11	K	32.7	Very low	31.7	Very low	206 Å²	206	163 Å²	163	90%	0.896	84%	0.839	S	S	*	*			trans	-62.1	112.6	170.4	-69.2	174.9	175.5	178.2	0	108.8
12	S	32.8	Very low	32	Very low	105 Å²	105	157.1 Å²	157.1	73%	0.734	82%	0.822	S	S	*	*			trans	-115.1	119.6	156.2	66	0	0	0	0	107.3	S10	S10-S12 PolarHBondContact O-N 3.21Å
13	V	33.8	Very low	32.1	Very low	134 Å²	134	156.6 Å²	156.6	81%	0.812	82%	0.821	S	S	*	*			trans	-89.8	109.1	-178.6	174.3	0	0	0	0	105.9
14	C	30.4	Very low	32.3	Very low	121 Å²	121	151.6 Å²	151.6	82%	0.818	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-83.6	118.2	173	-77.5	0	0	0	0	109.9
15	S	30.9	Very low	32.4	Very low	113 Å²	113	151.4 Å²	151.4	79%	0.79	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-70.7	136.7	174.5	-39.9	0	0	0	0	111.1
16	A	32.9	Very low	32.3	Very low	91 Å²	91	157.4 Å²	157.4	75%	0.752	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-75.5	143.4	178.2	0	0	0	0	0	112
17	P	36.6	Very low	32.7	Very low	123 Å²	123	159.4 Å²	159.4	80%	0.799	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-85.2	140.6	177.8	9.7	8.3	0	0	0	111.6
18	V	32.2	Very low	33	Very low	137 Å²	137	159.1 Å²	159.1	83%	0.83	84%	0.84	S	S	*	*			trans	-89.9	114.3	173.3	176.9	0	0	0	0	107.3
19	E	33.9	Very low	33.4	Very low	187 Å²	187	158.5 Å²	158.5	87%	0.874	84%	0.837	S	S	*	*			trans	-107	131.4	171.4	-83.6	-175.5	167.4	0	0	111
20	E	31.9	Very low	33.6	Very low	190 Å²	190	152.7 Å²	152.7	89%	0.888	83%	0.832	S	S	*	*			trans	-79.5	154	-173	-73.9	179.8	141.2	0	0	113.4
21	K	29.7	Very low	33.9	Very low	200 Å²	200	155.9 Å²	155.9	87%	0.87	84%	0.836	S	S	*	*			trans	-66.7	140.1	178.6	-64.1	169	171.4	177.5	0	111.9
22	S	34	Very low	34.4	Very low	121 Å²	121	153.6 Å²	153.6	85%	0.846	83%	0.832	S	S	*	*			trans	-146.9	137.1	144.9	54.2	0	0	0	0	110.3
23	D	31.9	Very low	34.8	Very low	143 Å²	143	154.1 Å²	154.1	77%	0.765	84%	0.836	S	S	*	*			trans	-82.4	166.7	-165.9	-72.9	-53	0	0	0	114.7
24	N	32.9	Very low	35.4	Very low	147 Å²	147	156.7 Å²	156.7	79%	0.786	84%	0.836	S	S	*	*			trans	81	104	157.2	-61.3	-24.5	0	0	0	118.6
25	D	35.6	Very low	36.3	Very low	167 Å²	167	156.9 Å²	156.9	89%	0.893	84%	0.837	S	S	*	*				-168.5	131.2	100.2	-101.6	-24.9	0	0	0	112.2
26	E	32.9	Very low	37.2	Very low	190 Å²	190	159.2 Å²	159.2	89%	0.888	84%	0.839	S	S	*	*			trans	-68	124.2	176.8	-66	-178.9	138.7	0	0	111.5
27	R	35.5	Very low	38.4	Very low	244 Å²	244	159 Å²	159	92%	0.921	83%	0.832	S	S	*	*			trans	-150.6	106.3	146.7	-112.7	170	-168.2	-174.3	3.8	112	N29	R27-N29 PolarHBondContact O-N 2.8Å
28	K	35.9	Very low	39.2	Very low	204 Å²	204	162.7 Å²	162.7	89%	0.887	84%	0.836	S	S	*	*			trans	-26.3	110.6	167.8	-68.1	168.8	176.2	173.8	0	114.3
29	N	38	Very low	40.3	Very low	155 Å²	155	165.5 Å²	165.5	83%	0.829	84%	0.837	S	S	*	*			trans	-127.7	76.3	157.5	-95.2	-20	0	0	0	109	R27 M31	R27-N29 PolarHBondContact O-N 2.8Å; N29-M31 PolarHBondContact O-N 3.33Å
30	S	38.3	Very low	41.9	Very low	113 Å²	113	161.2 Å²	161.2	79%	0.79	83%	0.828	S	S	*	*			trans	-80.3	39.2	-176.8	66.1	0	0	0	0	114.1
31	M	38.2	Very low	43.4	Very low	182 Å²	182	157.9 Å²	157.9	90%	0.897	82%	0.82	S	S	*	*			trans	-131.7	24.7	-177.2	-85.1	-103.7	177.3	0	0	114.1	N29	N29-M31 PolarHBondContact O-N 3.33Å
32	I	44.2	Very low	45.3	Very low	158 Å²	158	157.2 Å²	157.2	81%	0.81	82%	0.817	S	S	*	*			trans	-130.1	58.1	170.6	-44.2	177.7	0	0	0	110.2
33	S	41	Very low	47	Very low	116 Å²	116	159.9 Å²	159.9	81%	0.811	81%	0.814	S	S	*	*			trans	-107.7	57.8	161	62.2	0	0	0	0	109.1
34	K	46.3	Very low	48.6	Very low	189 Å²	189	156.5 Å²	156.5	82%	0.822	80%	0.8	S	S	*	*			trans	-97.2	117.7	166.9	-89.3	-178	177.5	174	0	108.4	I36	K34-I36 PolarHBondContact O-N 2.86Å
35	C	49.9	Very low	50.1	Low	124 Å²	124	151.7 Å²	151.7	84%	0.838	79%	0.785	S	S	*	*			trans	-31.1	111.7	178.1	-62.9	0	0	0	0	113.3	S37	C35-S37 PolarHBondContact O-N 3.48Å
36	I	49.6	Very low	51.4	Low	162 Å²	162	152.5 Å²	152.5	83%	0.831	78%	0.783	S	S	*	*			trans	-69.8	85.5	168.5	-58.8	170.5	0	0	0	106.7	K34 K38	K34-I36 PolarHBondContact O-N 2.86Å; I36-K38 PolarHBondContact O-N 3.43Å
37	S	56.9	Low	52.9	Low	87 Å²	87	149.3 Å²	149.3	61%	0.608	78%	0.781	S	S	*	*			trans	-64	105.7	166.1	63.5	0	0	0	0	106.7	C35 K39	C35-S37 PolarHBondContact O-N 3.48Å; S37-K39 VanDerWaalsContact C-N 3.33Å; S37-K39 PolarHBondContact O-N 2.94Å
38	K	54.2	Low	54.2	Low	200 Å²	200	143.2 Å²	143.2	87%	0.87	77%	0.766	S	S	*	*			trans	-58.1	95.5	174.6	-83.4	-179.6	173.6	177.2	0	108.8	I36 S40	I36-K38 PolarHBondContact O-N 3.43Å; K38-S40 PolarHBondContact O-N 3.35Å
39	K	54.4	Low	55.8	Low	197 Å²	197	138.7 Å²	138.7	86%	0.857	75%	0.751	S	S	*	*			trans	-67.8	112.5	170.9	-66.5	-177.8	179.2	-179.2	0	107.3	S37	S37-K39 VanDerWaalsContact C-N 3.33Å; S37-K39 PolarHBondContact O-N 2.94Å
40	S	68.5	Low	57.3	Low	97 Å²	97	136.3 Å²	136.3	68%	0.678	74%	0.742	S	S	*	*			trans	-104.6	130.7	170.5	72.9	0	0	0	0	109.6	K38	K38-S40 PolarHBondContact O-N 3.35Å
41	V	63.4	Low	58.9	Low	120 Å²	120	137.4 Å²	137.4	73%	0.727	74%	0.744	S	S	*	*			trans	-87.7	127.4	173.9	179.3	0	0	0	0	108.5	F43	V41-F43 HydrophobicContact CG1-CE2 4.29Å; V41-F43 HydrophobicContact CG1-CZ 4.4Å
42	K	69	Low	60.5	Low	186 Å²	186	132.6 Å²	132.6	81%	0.809	73%	0.728	S	S	*	*			trans	-112.4	128.3	168.8	-71.1	-174.1	178.5	-177.5	0	108.3
43	F	70.2	Confident	61.8	Low	176 Å²	176	130.9 Å²	130.9	77%	0.772	72%	0.724	S	S	*	*	P	Polyproline II helix	trans	-81.7	144	170.9	-68.9	-85	0	0	0	109.4	V41	V41-F43 HydrophobicContact CG1-CE2 4.29Å; V41-F43 HydrophobicContact CG1-CZ 4.4Å
44	P	66.8	Low	63.3	Low	73 Å²	73	132.4 Å²	132.4	47%	0.474	72%	0.722	S	S	.	*	P	Polyproline II helix	trans	-56.8	151.5	170.9	-17.9	29.2	0	0	0	110.9	D48	P44-D48 HydrophobicContact CB-CB 3.74Å
45	G	62.5	Low	64.6	Low	46 Å²	46	129.3 Å²	129.3	47%	0.474	71%	0.714	S	S	.	*	P	Polyproline II helix	trans	-61.1	157.4	176.5	0	0	0	0	0	111.4	C47 D48	G45-C47 PolarHBondContact O-N 3Å; G45-D48 PolarHBondContact O-N 2.84Å
46	E	64.5	Low	65.6	Low	183 Å²	183	128.7 Å²	128.7	86%	0.855	71%	0.709	S	S	*	*	G	3₁₀ helix	trans	-53.5	-27.2	-172.3	-66.9	-173.5	161	0	0	114.1
47	C	62.8	Low	66.9	Low	124 Å²	124	126.4 Å²	126.4	84%	0.838	70%	0.702	S	S	*	*	G	3₁₀ helix	trans	-74.6	-20.4	177	-58.5	0	0	0	0	114.6	G45	G45-C47 PolarHBondContact O-N 3Å
48	D	64.6	Low	68.2	Low	115 Å²	115	125.4 Å²	125.4	62%	0.615	69%	0.69	S	S	*	*	G	3₁₀ helix	trans	-98.1	-3.8	-177	-66.9	-30.6	0	0	0	113.2	P44 G45	P44-D48 HydrophobicContact CB-CB 3.74Å; G45-D48 PolarHBondContact O-N 2.84Å
49	L	69.5	Low	69.6	Low	109 Å²	109	117.6 Å²	117.6	57%	0.571	66%	0.659	S	S	*	*	S	Bend	trans	-75.1	-25.9	-178.1	-72.6	171.2	0	0	0	113.3
50	V	68.9	Low	71.2	Confident	105 Å²	105	110 Å²	110	64%	0.636	63%	0.625	S	S	*	*			trans	-109.4	92.6	179.9	-175.5	0	0	0	0	108.8	C52 V53	V50-C52 VanDerWaalsContact C-N 3.34Å; V50-V53 HydrophobicContact CG1-CG2 4.29Å
51	T	71.8	Confident	71.8	Confident	136 Å²	136	111.4 Å²	111.4	83%	0.834	63%	0.625	S	S	*	*			trans	-71.5	-28.9	-177.8	53.8	0	0	0	0	113
52	C	72.7	Confident	72.5	Confident	82 Å²	82	112.6 Å²	112.6	55%	0.554	63%	0.627	S	S	*	*			trans	-162.9	157.3	174.1	59.6	0	0	0	0	111.5	V50	V50-C52 VanDerWaalsContact C-N 3.34Å
53	V	71	Confident	73.1	Confident	121 Å²	121	105.8 Å²	105.8	73%	0.733	60%	0.596	S	S	*	*			trans	-105.5	116.8	167.6	178.9	0	0	0	0	106.8	V50	V50-V53 HydrophobicContact CG1-CG2 4.29Å
54	I	72.6	Confident	73.8	Confident	148 Å²	148	102.7 Å²	102.7	76%	0.759	58%	0.584	S	S	*	*			trans	-92.7	113.6	175.4	-57.8	174	0	0	0	107
55	D	72.5	Confident	74.7	Confident	124 Å²	124	103.4 Å²	103.4	66%	0.663	59%	0.59	S	S	*	*	P	Polyproline II helix	trans	-63.9	143.9	171.2	-76.5	-37.1	0	0	0	109.6
56	P	71.8	Confident	76.1	Confident	111 Å²	111	101.9 Å²	101.9	72%	0.721	57%	0.571	S	S	*	*	P	Polyproline II helix	trans	-57.3	143.3	176.2	24.6	-32.6	0	0	0	110.3	D58	P56-D58 PolarHBondContact O-N 3.01Å
57	V	77.5	Confident	77.6	Confident	114 Å²	114	93.9 Å²	93.9	69%	0.691	54%	0.535	S	S	*	.	P	Polyproline II helix	trans	-58.9	125.4	176	179.5	0	0	0	0	108.2	P59	V57-P59 VanDerWaalsContact O-CD 3.24Å; V57-P59 WeakPolarHBondContact O-CD 3.47Å
58	D	82.7	Confident	79.1	Confident	66 Å²	66	89.2 Å²	89.2	35%	0.353	50%	0.503	S	S	.	.			trans	-70.3	110.7	172.8	-178	-10.2	0	0	0	108.4	P56 W60 L61	P56-D58 PolarHBondContact O-N 3.01Å; D58-W60 PolarHBondContact O-N 3.3Å; D58-W60 WeakPolarHBondContact OD1-CB 3.24Å; D58-W60 PolarHBondContact OD1-N 2.75Å; D58-L61 HydrophobicContact CB-CB 4.32Å; D58-L61 PolarHBondContact O-N 3.49Å
59	P	84.7	Confident	80.7	Confident	36 Å²	36	86.8 Å²	86.8	23%	0.234	50%	0.499	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-13.3	-176	28.6	-34.8	0	0	0	112.4	V57 Y157 Y158	V57-P59 VanDerWaalsContact O-CD 3.24Å; V57-P59 WeakPolarHBondContact O-CD 3.47Å; P59-Y157 HydrophobicContact CB-CE1 3.97Å; P59-Y157 WeakPolarHBondContact CG-O 3.45Å; P59-Y158 HydrophobicContact CB-CD1 3.87Å; P59-Y158 HydrophobicContact CB-CE1 4.21Å; P59-Y158 HydrophobicContact CG-CD1 4.33Å
60	W	86.6	Confident	82	Confident	37 Å²	37	86.2 Å²	86.2	14%	0.14	49%	0.494	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	-11.9	-177	-56.8	106.5	0	0	0	114.1	D58 N62 R63 F128 K129 Q132 Y158	D58-W60 PolarHBondContact O-N 3.3Å; D58-W60 WeakPolarHBondContact OD1-CB 3.24Å; D58-W60 PolarHBondContact OD1-N 2.75Å; W60-N62 VanDerWaalsContact C-N 3.25Å; W60-N62 PolarHBondContact O-N 3.27Å; W60-R63 HydrophobicContact CE3-CB 4.23Å; W60-R63 HydrophobicContact CE3-CG 3.93Å; W60-R63 HydrophobicContact CZ3-CG 4.15Å; W60-R63 WeakPolarHBondContact O-CB 3.39Å; W60-R63 PolarHBondContact O-N 2.89Å; W60-R63 VanDerWaalsContact O-N 3.16Å; W60-F128 WeakPolarHBondContact CH2-O 3.35Å; W60-K129 VanDerWaalsContact CZ3-O 3.26Å; W60-K129 WeakPolarHBondContact CZ3-O 3.31Å; W60-Q132 HydrophobicContact CD2-CG 4.27Å; W60-Q132 VanDerWaalsContact CE2-CD 3.46Å; W60-Q132 VanDerWaalsContact CE2-NE2 3.3Å; W60-Q132 HydrophobicContact CE3-CG 4.48Å; W60-Q132 HydrophobicContact CH2-CG 3.35Å; W60-Q132 HydrophobicContact CZ2-CG 3.09Å; W60-Q132 HydrophobicContact CZ3-CG 4.07Å; W60-Y158 WeakPolarHBondContact CZ2-O 3.47Å; W60-Y158 PolarHBondContact NE1-O 2.86Å
61	L	82.1	Confident	83.3	Confident	127 Å²	127	81.2 Å²	81.2	67%	0.665	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-36.9	-174.5	-167.4	73.5	0	0	0	112.9	D58	D58-L61 HydrophobicContact CB-CB 4.32Å; D58-L61 PolarHBondContact O-N 3.49Å
62	N	77.8	Confident	84.5	Confident	146 Å²	146	75.5 Å²	75.5	78%	0.781	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.6	30.1	-179.3	-64.8	-34.4	0	0	0	112	W60 Q64	W60-N62 VanDerWaalsContact C-N 3.25Å; W60-N62 PolarHBondContact O-N 3.27Å; N62-Q64 PolarHBondContact O-N 2.73Å
63	R	82.2	Confident	85.7	Confident	43 Å²	43	75 Å²	75	16%	0.162	43%	0.425	C	S	.	.			trans	-60.5	125.9	179.4	-174.2	-163.1	-174.3	175.2	-8.7	110.1	W60 P103 Y130	W60-R63 HydrophobicContact CE3-CB 4.23Å; W60-R63 HydrophobicContact CE3-CG 3.93Å; W60-R63 HydrophobicContact CZ3-CG 4.15Å; W60-R63 WeakPolarHBondContact O-CB 3.39Å; W60-R63 PolarHBondContact O-N 2.89Å; W60-R63 VanDerWaalsContact O-N 3.16Å; R63-P103 PolarHBondContact NH1-O 2.88Å; R63-Y130 PolarHBondContact NE-O 2.89Å; R63-Y130 PolarHBondContact NH2-O 3.16Å
64	Q	84.1	Confident	86.9	Confident	110 Å²	110	71.4 Å²	71.4	51%	0.514	40%	0.401	S	S	.	.			trans	-74.4	134.8	176	-64.6	178	-3.8	0	0	111.1	N62 L66 Y130	N62-Q64 PolarHBondContact O-N 2.73Å; Q64-L66 HydrophobicContact CB-CD2 4.05Å; Q64-L66 HydrophobicContact CB-CG 4.15Å; Q64-L66 PolarHBondContact O-N 3.06Å; Q64-L66 VanDerWaalsContact O-N 3.16Å; Q64-Y130 HydrophobicContact CB-CE1 4.28Å
65	C	87	Confident	88.1	Confident	88 Å²	88	64.4 Å²	64.4	60%	0.595	37%	0.365	S	S	*	.			trans	-85.1	80.2	176.3	-65.7	0	0	0	0	110.7	R100	C65-R100 HydrophobicContact CB-CG 4.19Å; C65-R100 WeakPolarHBondContact O-CG 3.47Å
66	L	91.8	Very high	89.3	Confident	15 Å²	15	62.5 Å²	62.5	8%	0.079	35%	0.351	C	S	.	.			trans	-82.5	144.7	-176.8	-56.7	175.2	0	0	0	112.6	Q64 E70 L71 I74 L99 Y130	Q64-L66 HydrophobicContact CB-CD2 4.05Å; Q64-L66 HydrophobicContact CB-CG 4.15Å; Q64-L66 PolarHBondContact O-N 3.06Å; Q64-L66 VanDerWaalsContact O-N 3.16Å; L66-E70 HydrophobicContact CB-CB 4.25Å; L66-E70 HydrophobicContact CD2-CB 4.28Å; L66-L71 HydrophobicContact CB-CB 4.37Å; L66-L71 HydrophobicContact CD1-CB 4.4Å; L66-L71 HydrophobicContact CD1-CD1 4.19Å; L66-I74 HydrophobicContact CD1-CD1 3.58Å; L66-I74 HydrophobicContact CD2-CD1 4.48Å; L66-L99 HydrophobicContact CB-CD1 4.41Å; L66-L99 VanDerWaalsContact O-CB 3.31Å; L66-L99 WeakPolarHBondContact O-CB 3.2Å; L66-L99 PolarHBondContact O-N 3.48Å; L66-L99 VanDerWaalsContact O-N 3.1Å; L66-Y130 HydrophobicContact CD1-CD1 3.78Å; L66-Y130 HydrophobicContact CD1-CD2 4.4Å; L66-Y130 HydrophobicContact CD1-CE1 3.94Å; L66-Y130 HydrophobicContact CD1-CG 4.02Å
67	S	94.4	Very high	90.6	Very high	15 Å²	15	62.2 Å²	62.2	11%	0.105	34%	0.343	C	S	.	.			trans	-70.3	160.8	163.4	69	0	0	0	0	111.2	A69 E70 L71 R100	S67-A69 PolarHBondContact O-N 3.24Å; S67-E70 VanDerWaalsContact CB-OE2 3.24Å; S67-E70 WeakPolarHBondContact CB-OE2 3.2Å; S67-E70 PolarHBondContact N-OE2 3.29Å; S67-E70 PolarHBondContact O-N 3.1Å; S67-E70 VanDerWaalsContact OG-CD 3.24Å; S67-E70 VanDerWaalsContact OG-CG 3.29Å; S67-E70 WeakPolarHBondContact OG-CG 3.33Å; S67-E70 PolarHBondContact OG-N 3.26Å; S67-E70 PolarHBondContact OG-OE2 3.21Å; S67-L71 PolarHBondContact O-N 2.84Å; S67-R100 VanDerWaalsContact CB-CZ 3.5Å
68	P	95.6	Very high	91.5	Very high	25 Å²	25	58.7 Å²	58.7	16%	0.162	32%	0.319	C	S	.	.	H	α-helix	trans	-53.9	-41.3	175.3	-26.1	33.9	0	0	0	112.8	L71 I72 Q95 D98	P68-L71 PolarHBondContact O-N 2.97Å; P68-I72 WeakPolarHBondContact O-CB 3.24Å; P68-I72 WeakPolarHBondContact O-CD1 3.44Å; P68-I72 WeakPolarHBondContact O-CG1 3.46Å; P68-I72 PolarHBondContact O-N 3.16Å; P68-Q95 WeakPolarHBondContact CB-O 3.46Å; P68-D98 HydrophobicContact CG-CB 3.96Å
69	A	97	Very high	92.2	Very high	65 Å²	65	55.5 Å²	55.5	54%	0.537	30%	0.302	S	S	.	.	H	α-helix	trans	-66.2	-42.9	-178.9	0	0	0	0	0	112.3	S67 S73	S67-A69 PolarHBondContact O-N 3.24Å; A69-S73 VanDerWaalsContact O-CB 3.28Å; A69-S73 WeakPolarHBondContact O-CB 3.2Å; A69-S73 PolarHBondContact O-N 3.25Å; A69-S73 PolarHBondContact O-OG 2.97Å
70	E	96.9	Very high	92.7	Very high	96 Å²	96	58.9 Å²	58.9	45%	0.449	32%	0.318	S	S	.	.	H	α-helix	trans	-64	-47	176.1	-71	160.8	144.7	0	0	111.2	L66 S67 I72 S73 I74	L66-E70 HydrophobicContact CB-CB 4.25Å; L66-E70 HydrophobicContact CD2-CB 4.28Å; S67-E70 VanDerWaalsContact CB-OE2 3.24Å; S67-E70 WeakPolarHBondContact CB-OE2 3.2Å; S67-E70 PolarHBondContact N-OE2 3.29Å; S67-E70 PolarHBondContact O-N 3.1Å; S67-E70 VanDerWaalsContact OG-CD 3.24Å; S67-E70 VanDerWaalsContact OG-CG 3.29Å; S67-E70 WeakPolarHBondContact OG-CG 3.33Å; S67-E70 PolarHBondContact OG-N 3.26Å; S67-E70 PolarHBondContact OG-OE2 3.21Å; E70-I72 PolarHBondContact O-N 2.99Å; E70-S73 WeakPolarHBondContact O-CB 3.26Å; E70-S73 PolarHBondContact O-N 3.07Å; E70-S73 VanDerWaalsContact O-N 3.09Å; E70-I74 WeakPolarHBondContact O-CG1 3.3Å; E70-I74 PolarHBondContact O-N 3.1Å
71	L	95.9	Very high	93.2	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-61.7	-45.4	179.6	180	61	0	0	0	111.9	L66 S67 P68 S73 I74 Y75 L94 T97 L99 Y130 V131	L66-L71 HydrophobicContact CB-CB 4.37Å; L66-L71 HydrophobicContact CD1-CB 4.4Å; L66-L71 HydrophobicContact CD1-CD1 4.19Å; S67-L71 PolarHBondContact O-N 2.84Å; P68-L71 PolarHBondContact O-N 2.97Å; L71-S73 VanDerWaalsContact C-N 3.26Å; L71-S73 PolarHBondContact O-N 2.8Å; L71-I74 PolarHBondContact O-N 2.97Å; L71-Y75 PolarHBondContact O-N 3.5Å; L71-Y75 VanDerWaalsContact O-N 3.08Å; L71-L94 HydrophobicContact CD2-CD1 4.44Å; L71-L94 HydrophobicContact CD2-CD2 3.85Å; L71-L94 HydrophobicContact CG-CD1 4.29Å; L71-T97 HydrophobicContact CD2-CG2 4.31Å; L71-L99 HydrophobicContact CD2-CD1 4.38Å; L71-Y130 HydrophobicContact CD1-CD2 3.98Å; L71-Y130 HydrophobicContact CD1-CG 4.22Å; L71-V131 HydrophobicContact CD2-CG2 3.6Å
72	I	98	Very high	93.8	Very high	17 Å²	17	58.9 Å²	58.9	9%	0.087	32%	0.324	C	S	.	.	H	α-helix	trans	-61.3	-38.4	174.5	-70.9	166.4	0	0	0	110.8	P68 E70 Y75 K76 I91 L94 Q95	P68-I72 WeakPolarHBondContact O-CB 3.24Å; P68-I72 WeakPolarHBondContact O-CD1 3.44Å; P68-I72 WeakPolarHBondContact O-CG1 3.46Å; P68-I72 PolarHBondContact O-N 3.16Å; E70-I72 PolarHBondContact O-N 2.99Å; I72-Y75 PolarHBondContact O-N 3.18Å; I72-K76 HydrophobicContact CG2-CD 3.88Å; I72-K76 HydrophobicContact CG2-CG 4.26Å; I72-K76 WeakPolarHBondContact O-CB 3.36Å; I72-K76 WeakPolarHBondContact O-CG 3.34Å; I72-K76 PolarHBondContact O-N 2.68Å; I72-I91 HydrophobicContact CD1-CG2 4.32Å; I72-I91 HydrophobicContact CG2-CG1 4.47Å; I72-I91 HydrophobicContact CG2-CG2 4.04Å; I72-L94 HydrophobicContact CD1-CB 4.12Å; I72-L94 HydrophobicContact CG1-CB 3.62Å; I72-L94 HydrophobicContact CG1-CD1 4.37Å; I72-Q95 HydrophobicContact CD1-CB 4.46Å; I72-Q95 HydrophobicContact CD1-CG 3.74Å
73	S	97.8	Very high	94.7	Very high	70 Å²	70	57.6 Å²	57.6	49%	0.49	33%	0.326	S	S	.	.	H	α-helix	trans	-67.7	-40.7	-179.5	-59.6	0	0	0	0	111.6	A69 E70 L71 L77	A69-S73 VanDerWaalsContact O-CB 3.28Å; A69-S73 WeakPolarHBondContact O-CB 3.2Å; A69-S73 PolarHBondContact O-N 3.25Å; A69-S73 PolarHBondContact O-OG 2.97Å; E70-S73 WeakPolarHBondContact O-CB 3.26Å; E70-S73 PolarHBondContact O-N 3.07Å; E70-S73 VanDerWaalsContact O-N 3.09Å; L71-S73 VanDerWaalsContact C-N 3.26Å; L71-S73 PolarHBondContact O-N 2.8Å; S73-L77 WeakPolarHBondContact O-CB 3.3Å; S73-L77 PolarHBondContact O-N 3.23Å
74	I	96.5	Very high	95.3	Very high	46 Å²	46	56.9 Å²	56.9	24%	0.236	33%	0.326	C	S	.	.	H	α-helix	trans	-60.6	-50.8	173.8	-69	170	0	0	0	110.5	L66 E70 L71 K76 L77 Q78 Y130	L66-I74 HydrophobicContact CD1-CD1 3.58Å; L66-I74 HydrophobicContact CD2-CD1 4.48Å; E70-I74 WeakPolarHBondContact O-CG1 3.3Å; E70-I74 PolarHBondContact O-N 3.1Å; L71-I74 PolarHBondContact O-N 2.97Å; I74-K76 PolarHBondContact O-N 3.16Å; I74-L77 PolarHBondContact O-N 3.19Å; I74-Q78 WeakPolarHBondContact O-CB 3.43Å; I74-Q78 PolarHBondContact O-N 2.69Å; I74-Y130 HydrophobicContact CG2-CE2 4.44Å
75	Y	97.7	Very high	95.9	Very high	1 Å²	1	59.4 Å²	59.4	0%	0.004	34%	0.337	C	S	.	.	H	α-helix	trans	-58.8	-49.7	178.8	171.2	-110.3	0	0	0	111.8	L71 I72 L77 Q78 C79 P86 L87 V90 I91 M123 V127	L71-Y75 PolarHBondContact O-N 3.5Å; L71-Y75 VanDerWaalsContact O-N 3.08Å; I72-Y75 PolarHBondContact O-N 3.18Å; Y75-L77 PolarHBondContact O-N 2.82Å; Y75-Q78 PolarHBondContact O-N 2.75Å; Y75-C79 WeakPolarHBondContact O-CB 3.29Å; Y75-C79 PolarHBondContact O-N 2.86Å; Y75-C79 PolarHBondContact O-SG 3.02Å; Y75-P86 HydrophobicContact CE1-CB 3.95Å; Y75-L87 PolarHBondContact OH-N 3.08Å; Y75-V90 HydrophobicContact CD1-CG1 3.97Å; Y75-V90 HydrophobicContact CD2-CG1 4.43Å; Y75-V90 HydrophobicContact CE1-CB 3.87Å; Y75-V90 HydrophobicContact CE1-CG1 3.6Å; Y75-V90 HydrophobicContact CE2-CG1 4.11Å; Y75-V90 HydrophobicContact CG-CG1 4.36Å; Y75-I91 HydrophobicContact CD1-CG1 4.24Å; Y75-I91 HydrophobicContact CE1-CG1 4.15Å; Y75-M123 HydrophobicContact CE2-CB 3.95Å; Y75-V127 HydrophobicContact CD2-CG2 3.79Å; Y75-V127 HydrophobicContact CE2-CG2 4.38Å; Y75-V127 HydrophobicContact CG-CG2 4.17Å
76	K	97.9	Very high	96.3	Very high	85 Å²	85	56.7 Å²	56.7	37%	0.37	32%	0.319	S	S	.	.	H	α-helix	trans	-61.6	-42.8	177.9	-76.4	179.9	176	-178.1	0	112.4	I72 I74 Q78 C79 N80 P86 I91	I72-K76 HydrophobicContact CG2-CD 3.88Å; I72-K76 HydrophobicContact CG2-CG 4.26Å; I72-K76 WeakPolarHBondContact O-CB 3.36Å; I72-K76 WeakPolarHBondContact O-CG 3.34Å; I72-K76 PolarHBondContact O-N 2.68Å; I74-K76 PolarHBondContact O-N 3.16Å; K76-Q78 VanDerWaalsContact C-N 3.31Å; K76-Q78 PolarHBondContact O-N 3.14Å; K76-C79 WeakPolarHBondContact O-CB 3.18Å; K76-C79 PolarHBondContact O-N 2.99Å; K76-N80 WeakPolarHBondContact O-CB 3.36Å; K76-N80 PolarHBondContact O-N 2.7Å; K76-N80 PolarHBondContact O-ND2 2.76Å; K76-N80 PolarHBondContact O-OD1 3.16Å; K76-P86 HydrophobicContact CG-CB 4.25Å; K76-P86 HydrophobicContact CG-CG 4.25Å; K76-I91 HydrophobicContact CD-CD1 4.43Å; K76-I91 HydrophobicContact CG-CD1 4.23Å
77	L	97.6	Very high	96.5	Very high	104 Å²	104	57.4 Å²	57.4	55%	0.545	32%	0.322	S	S	.	.	H	α-helix	trans	-59.3	-46.7	178.2	177.1	63.9	0	0	0	110.2	S73 I74 Y75 N80 L81	S73-L77 WeakPolarHBondContact O-CB 3.3Å; S73-L77 PolarHBondContact O-N 3.23Å; I74-L77 PolarHBondContact O-N 3.19Å; Y75-L77 PolarHBondContact O-N 2.82Å; L77-N80 PolarHBondContact O-N 2.89Å; L77-L81 HydrophobicContact CD1-CD1 4.43Å; L77-L81 HydrophobicContact CD1-CG 4.4Å; L77-L81 HydrophobicContact CG-CD1 4.18Å; L77-L81 WeakPolarHBondContact O-CG 3.29Å; L77-L81 PolarHBondContact O-N 3.42Å
78	Q	96.9	Very high	96.6	Very high	40 Å²	40	64.8 Å²	64.8	19%	0.187	35%	0.349	C	S	.	.	H	α-helix	trans	-68.3	-41	-178.4	-169.7	60.9	31.4	0	0	112.9	I74 Y75 K76 N80 L81 S82 M123 Y126	I74-Q78 WeakPolarHBondContact O-CB 3.43Å; I74-Q78 PolarHBondContact O-N 2.69Å; Y75-Q78 PolarHBondContact O-N 2.75Å; K76-Q78 VanDerWaalsContact C-N 3.31Å; K76-Q78 PolarHBondContact O-N 3.14Å; Q78-N80 VanDerWaalsContact C-N 3.31Å; Q78-N80 PolarHBondContact O-N 3.48Å; Q78-L81 PolarHBondContact O-N 3.32Å; Q78-S82 PolarHBondContact NE2-OG 2.51Å; Q78-S82 WeakPolarHBondContact O-CB 3.5Å; Q78-S82 PolarHBondContact O-N 3.43Å; Q78-S82 PolarHBondContact O-OG 2.7Å; Q78-M123 HydrophobicContact CB-SD 4.31Å; Q78-M123 HydrophobicContact CG-CE 4.16Å; Q78-M123 HydrophobicContact CG-SD 3.73Å; Q78-Y126 HydrophobicContact CB-CD1 4.25Å; Q78-Y126 HydrophobicContact CB-CD2 4.42Å; Q78-Y126 HydrophobicContact CB-CE1 4.43Å; Q78-Y126 HydrophobicContact CB-CG 4.23Å; Q78-Y126 VanDerWaalsContact CD-CZ 3.43Å; Q78-Y126 HydrophobicContact CG-CD1 3.93Å; Q78-Y126 HydrophobicContact CG-CD2 3.64Å; Q78-Y126 HydrophobicContact CG-CE1 3.74Å; Q78-Y126 HydrophobicContact CG-CE2 3.46Å; Q78-Y126 VanDerWaalsContact CG-CE2 3.46Å; Q78-Y126 HydrophobicContact CG-CG 3.86Å; Q78-Y126 VanDerWaalsContact CG-CZ 3.49Å; Q78-Y126 PolarHBondContact NE2-OH 3.34Å
79	C	97.1	Very high	96.7	Very high	0 Å²	0	65.8 Å²	65.8	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-52.9	-49.9	169.4	-81.3	0	0	0	0	111.4	Y75 K76 L81 S82 S83 I84 P86	Y75-C79 WeakPolarHBondContact O-CB 3.29Å; Y75-C79 PolarHBondContact O-N 2.86Å; Y75-C79 PolarHBondContact O-SG 3.02Å; K76-C79 WeakPolarHBondContact O-CB 3.18Å; K76-C79 PolarHBondContact O-N 2.99Å; C79-L81 PolarHBondContact O-N 2.92Å; C79-S82 CarbonylContact O-C 3.59Å; C79-S82 PolarHBondContact O-N 3.27Å; C79-S83 PolarHBondContact O-N 3.32Å; C79-I84 CarbonylContact C-O 3.55Å; C79-I84 VanDerWaalsContact C-O 3.31Å; C79-I84 VanDerWaalsContact CB-O 3.28Å; C79-I84 WeakPolarHBondContact CB-O 3.34Å; C79-I84 PolarHBondContact O-N 3.12Å; C79-I84 VanDerWaalsContact O-O 3.1Å; C79-P86 HydrophobicContact CB-CB 4.15Å; C79-P86 HydrophobicContact CB-CG 3.61Å
80	N	96.7	Very high	96.7	Very high	106 Å²	106	62.7 Å²	62.7	57%	0.567	33%	0.331	S	S	*	.	H	α-helix	trans	-63.3	-43.4	180	-68.1	-17.3	0	0	0	112.3	K76 L77 Q78 S82 S83	K76-N80 WeakPolarHBondContact O-CB 3.36Å; K76-N80 PolarHBondContact O-N 2.7Å; K76-N80 PolarHBondContact O-ND2 2.76Å; K76-N80 PolarHBondContact O-OD1 3.16Å; L77-N80 PolarHBondContact O-N 2.89Å; Q78-N80 VanDerWaalsContact C-N 3.31Å; Q78-N80 PolarHBondContact O-N 3.48Å; N80-S82 PolarHBondContact O-N 3.03Å; N80-S83 PolarHBondContact O-N 3.45Å; N80-S83 VanDerWaalsContact O-N 3.15Å
81	L	96.6	Very high	96.7	Very high	120 Å²	120	59 Å²	59	63%	0.628	31%	0.314	S	S	*	.	H	α-helix	trans	-61.3	-32.4	176.4	-72.1	175	0	0	0	112.2	L77 Q78 C79	L77-L81 HydrophobicContact CD1-CD1 4.43Å; L77-L81 HydrophobicContact CD1-CG 4.4Å; L77-L81 HydrophobicContact CG-CD1 4.18Å; L77-L81 WeakPolarHBondContact O-CG 3.29Å; L77-L81 PolarHBondContact O-N 3.42Å; Q78-L81 PolarHBondContact O-N 3.32Å; C79-L81 PolarHBondContact O-N 2.92Å
82	S	95.5	Very high	96.8	Very high	45 Å²	45	60.7 Å²	60.7	32%	0.315	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.5	4.8	-179.6	-46.1	0	0	0	0	112.9	Q78 C79 N80 I84 M123	Q78-S82 PolarHBondContact NE2-OG 2.51Å; Q78-S82 WeakPolarHBondContact O-CB 3.5Å; Q78-S82 PolarHBondContact O-N 3.43Å; Q78-S82 PolarHBondContact O-OG 2.7Å; C79-S82 CarbonylContact O-C 3.59Å; C79-S82 PolarHBondContact O-N 3.27Å; N80-S82 PolarHBondContact O-N 3.03Å; S82-I84 PolarHBondContact O-N 3.48Å; S82-M123 WeakPolarHBondContact OG-CE 3.48Å
83	S	95.5	Very high	96.8	Very high	118 Å²	118	62.1 Å²	62.1	83%	0.825	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.2	31.2	-175	-56	0	0	0	0	114.1	C79 N80	C79-S83 PolarHBondContact O-N 3.32Å; N80-S83 PolarHBondContact O-N 3.45Å; N80-S83 VanDerWaalsContact O-N 3.15Å
84	I	95.7	Very high	96.7	Very high	28 Å²	28	58.8 Å²	58.8	14%	0.144	31%	0.309	C	S	.	.			trans	-105.9	132.6	177.7	-66.4	162.3	0	0	0	108.2	C79 S82 P86 G119 M123	C79-I84 CarbonylContact C-O 3.55Å; C79-I84 VanDerWaalsContact C-O 3.31Å; C79-I84 VanDerWaalsContact CB-O 3.28Å; C79-I84 WeakPolarHBondContact CB-O 3.34Å; C79-I84 PolarHBondContact O-N 3.12Å; C79-I84 VanDerWaalsContact O-O 3.1Å; S82-I84 PolarHBondContact O-N 3.48Å; I84-P86 WeakPolarHBondContact O-CD 3.49Å; I84-G119 WeakPolarHBondContact CD1-O 3.31Å; I84-M123 HydrophobicContact CB-CG 4.23Å; I84-M123 HydrophobicContact CD1-CE 4.16Å; I84-M123 HydrophobicContact CD1-CG 3.73Å; I84-M123 HydrophobicContact CD1-SD 4.14Å; I84-M123 HydrophobicContact CG2-CG 4.11Å
85	Q	95.1	Very high	96.7	Very high	163 Å²	163	61 Å²	61	76%	0.762	32%	0.318	S	S	*	.	P	Polyproline II helix	trans	-68.6	124.7	177.3	-174.3	174.7	-7.6	0	0	110.4	L87	Q85-L87 PolarHBondContact O-N 3.23Å
86	P	95.8	Very high	96.4	Very high	31 Å²	31	70.1 Å²	70.1	20%	0.201	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-62.1	127	175.4	-16.5	25.7	0	0	0	111.4	Y75 K76 C79 I84 Y88 I91	Y75-P86 HydrophobicContact CE1-CB 3.95Å; K76-P86 HydrophobicContact CG-CB 4.25Å; K76-P86 HydrophobicContact CG-CG 4.25Å; C79-P86 HydrophobicContact CB-CB 4.15Å; C79-P86 HydrophobicContact CB-CG 3.61Å; I84-P86 WeakPolarHBondContact O-CD 3.49Å; P86-Y88 PolarHBondContact O-N 2.98Å; P86-I91 HydrophobicContact CB-CD1 3.92Å
87	L	96.8	Very high	96.1	Very high	30 Å²	30	66.7 Å²	66.7	16%	0.157	34%	0.34	C	S	.	.	P	Polyproline II helix	trans	-67.8	125.4	176.2	-61.8	172.5	0	0	0	111.7	Y75 Q85 S89 V90 I91 L116	Y75-L87 PolarHBondContact OH-N 3.08Å; Q85-L87 PolarHBondContact O-N 3.23Å; L87-S89 VanDerWaalsContact C-N 3.29Å; L87-S89 PolarHBondContact O-N 2.95Å; L87-V90 HydrophobicContact CB-CB 4.27Å; L87-V90 HydrophobicContact CB-CG2 3.81Å; L87-V90 HydrophobicContact CD1-CG2 4.11Å; L87-V90 WeakPolarHBondContact O-CB 3.34Å; L87-V90 PolarHBondContact O-N 3.24Å; L87-I91 PolarHBondContact O-N 2.81Å; L87-L116 HydrophobicContact CD1-CD2 3.33Å
88	Y	96.5	Very high	95.7	Very high	170 Å²	170	62.6 Å²	62.6	67%	0.667	32%	0.319	S	S	*	.	H	α-helix	trans	-58	-41.9	175.3	176.1	-97.1	0	0	0	112	P86 V90 I91 S92	P86-Y88 PolarHBondContact O-N 2.98Å; Y88-V90 PolarHBondContact O-N 3.14Å; Y88-I91 PolarHBondContact O-N 2.82Å; Y88-I91 VanDerWaalsContact O-N 3.1Å; Y88-S92 WeakPolarHBondContact O-CB 3.48Å; Y88-S92 PolarHBondContact O-N 3.29Å
89	S	96.3	Very high	95.4	Very high	46 Å²	46	60.9 Å²	60.9	32%	0.322	31%	0.311	S	S	.	.	H	α-helix	trans	-58.3	-35.9	179	-53.9	0	0	0	0	112.7	L87 Q93 C114	L87-S89 VanDerWaalsContact C-N 3.29Å; L87-S89 PolarHBondContact O-N 2.95Å; S89-Q93 WeakPolarHBondContact O-CG 3.36Å; S89-Q93 PolarHBondContact O-N 2.97Å; S89-Q93 PolarHBondContact O-NE2 2.85Å; S89-C114 PolarHBondContact OG-SG 3.26Å
90	V	97.6	Very high	95	Very high	0 Å²	0	68 Å²	68	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-67.3	-52.8	174.2	175.3	0	0	0	0	109.4	Y75 L87 Y88 S92 Q93 L94 F109 L111 L124 V127	Y75-V90 HydrophobicContact CD1-CG1 3.97Å; Y75-V90 HydrophobicContact CD2-CG1 4.43Å; Y75-V90 HydrophobicContact CE1-CB 3.87Å; Y75-V90 HydrophobicContact CE1-CG1 3.6Å; Y75-V90 HydrophobicContact CE2-CG1 4.11Å; Y75-V90 HydrophobicContact CG-CG1 4.36Å; L87-V90 HydrophobicContact CB-CB 4.27Å; L87-V90 HydrophobicContact CB-CG2 3.81Å; L87-V90 HydrophobicContact CD1-CG2 4.11Å; L87-V90 WeakPolarHBondContact O-CB 3.34Å; L87-V90 PolarHBondContact O-N 3.24Å; Y88-V90 PolarHBondContact O-N 3.14Å; V90-S92 VanDerWaalsContact C-N 3.33Å; V90-S92 PolarHBondContact O-N 3.12Å; V90-Q93 PolarHBondContact O-N 3.47Å; V90-L94 HydrophobicContact CG1-CD1 3.77Å; V90-L94 HydrophobicContact CG1-CG 4.27Å; V90-L94 VanDerWaalsContact O-CG 3.31Å; V90-L94 WeakPolarHBondContact O-CG 3.01Å; V90-L94 PolarHBondContact O-N 2.85Å; V90-F109 HydrophobicContact CB-CZ 4.34Å; V90-F109 HydrophobicContact CG1-CE2 4.42Å; V90-F109 HydrophobicContact CG1-CZ 4.03Å; V90-F109 HydrophobicContact CG2-CZ 3.94Å; V90-L111 HydrophobicContact CG2-CD1 4.1Å; V90-L111 HydrophobicContact CG2-CD2 3.72Å; V90-L124 HydrophobicContact CG1-CD2 4.49Å; V90-L124 HydrophobicContact CG2-CD2 3.76Å; V90-V127 HydrophobicContact CG1-CG2 4.07Å
91	I	97.9	Very high	94.4	Very high	19 Å²	19	70.4 Å²	70.4	10%	0.097	35%	0.346	C	S	.	.	H	α-helix	trans	-57.2	-46.3	-178	-65	161	0	0	0	111.4	I72 Y75 K76 P86 L87 Y88 Q93 L94 Q95	I72-I91 HydrophobicContact CD1-CG2 4.32Å; I72-I91 HydrophobicContact CG2-CG1 4.47Å; I72-I91 HydrophobicContact CG2-CG2 4.04Å; Y75-I91 HydrophobicContact CD1-CG1 4.24Å; Y75-I91 HydrophobicContact CE1-CG1 4.15Å; K76-I91 HydrophobicContact CD-CD1 4.43Å; K76-I91 HydrophobicContact CG-CD1 4.23Å; P86-I91 HydrophobicContact CB-CD1 3.92Å; L87-I91 PolarHBondContact O-N 2.81Å; Y88-I91 PolarHBondContact O-N 2.82Å; Y88-I91 VanDerWaalsContact O-N 3.1Å; I91-Q93 VanDerWaalsContact C-N 3.32Å; I91-Q93 PolarHBondContact O-N 2.95Å; I91-L94 PolarHBondContact O-N 3.18Å; I91-Q95 WeakPolarHBondContact O-CG 3.16Å; I91-Q95 PolarHBondContact O-N 3.48Å; I91-Q95 VanDerWaalsContact O-N 3.14Å
92	S	97.6	Very high	93.7	Very high	35 Å²	35	66.4 Å²	66.4	25%	0.245	33%	0.328	C	S	.	.	H	α-helix	trans	-60.1	-39.8	-178.9	178	0	0	0	0	112.5	Y88 V90	Y88-S92 WeakPolarHBondContact O-CB 3.48Å; Y88-S92 PolarHBondContact O-N 3.29Å; V90-S92 VanDerWaalsContact C-N 3.33Å; V90-S92 PolarHBondContact O-N 3.12Å
93	Q	97.2	Very high	92.9	Very high	48 Å²	48	68.5 Å²	68.5	22%	0.224	34%	0.34	C	S	.	.	H	α-helix	trans	-72.2	-35	177.2	-71.6	174.6	86.8	0	0	112.3	S89 V90 I91 Q95 T97 F109 N110	S89-Q93 WeakPolarHBondContact O-CG 3.36Å; S89-Q93 PolarHBondContact O-N 2.97Å; S89-Q93 PolarHBondContact O-NE2 2.85Å; V90-Q93 PolarHBondContact O-N 3.47Å; I91-Q93 VanDerWaalsContact C-N 3.32Å; I91-Q93 PolarHBondContact O-N 2.95Å; Q93-Q95 VanDerWaalsContact C-N 3.31Å; Q93-Q95 PolarHBondContact O-N 3.3Å; Q93-T97 PolarHBondContact O-OG1 3.39Å; Q93-F109 HydrophobicContact CB-CD2 4.48Å; Q93-F109 HydrophobicContact CB-CE2 4.44Å; Q93-N110 PolarHBondContact NE2-O 3.49Å
94	L	96.3	Very high	92.6	Very high	0 Å²	0	69.3 Å²	69.3	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-72.5	-21.1	179.6	-65.2	-178.5	0	0	0	113.6	L71 I72 V90 I91 Y96 T97 V127	L71-L94 HydrophobicContact CD2-CD1 4.44Å; L71-L94 HydrophobicContact CD2-CD2 3.85Å; L71-L94 HydrophobicContact CG-CD1 4.29Å; I72-L94 HydrophobicContact CD1-CB 4.12Å; I72-L94 HydrophobicContact CG1-CB 3.62Å; I72-L94 HydrophobicContact CG1-CD1 4.37Å; V90-L94 HydrophobicContact CG1-CD1 3.77Å; V90-L94 HydrophobicContact CG1-CG 4.27Å; V90-L94 VanDerWaalsContact O-CG 3.31Å; V90-L94 WeakPolarHBondContact O-CG 3.01Å; V90-L94 PolarHBondContact O-N 2.85Å; I91-L94 PolarHBondContact O-N 3.18Å; L94-Y96 PolarHBondContact O-N 3.37Å; L94-Y96 VanDerWaalsContact O-N 3.1Å; L94-T97 WeakPolarHBondContact O-CB 3.22Å; L94-T97 PolarHBondContact O-N 2.94Å; L94-V127 HydrophobicContact CD1-CG1 4.3Å; L94-V127 HydrophobicContact CD1-CG2 3.96Å; L94-V127 HydrophobicContact CD2-CG1 3.84Å
95	Q	96	Very high	92.4	Very high	92 Å²	92	70 Å²	70	43%	0.43	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-27.4	178.9	-77.5	170.3	-11.8	0	0	113.3	P68 I72 I91 Q93	P68-Q95 WeakPolarHBondContact CB-O 3.46Å; I72-Q95 HydrophobicContact CD1-CB 4.46Å; I72-Q95 HydrophobicContact CD1-CG 3.74Å; I91-Q95 WeakPolarHBondContact O-CG 3.16Å; I91-Q95 PolarHBondContact O-N 3.48Å; I91-Q95 VanDerWaalsContact O-N 3.14Å; Q93-Q95 VanDerWaalsContact C-N 3.31Å; Q93-Q95 PolarHBondContact O-N 3.3Å
96	Y	91.4	Very high	92.3	Very high	193 Å²	193	64.4 Å²	64.4	76%	0.757	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102	4.9	179.5	-52.1	-74.9	0	0	0	113	L94 D98	L94-Y96 PolarHBondContact O-N 3.37Å; L94-Y96 VanDerWaalsContact O-N 3.1Å; Y96-D98 PolarHBondContact O-N 2.96Å
97	T	91.4	Very high	92.1	Very high	12 Å²	12	68.8 Å²	68.8	7%	0.074	32%	0.323	C	S	.	.			trans	-97.3	83.7	-175.5	-59.7	0	0	0	0	110.5	L71 Q93 L94 L99 K106 V131	L71-T97 HydrophobicContact CD2-CG2 4.31Å; Q93-T97 PolarHBondContact O-OG1 3.39Å; L94-T97 WeakPolarHBondContact O-CB 3.22Å; L94-T97 PolarHBondContact O-N 2.94Å; T97-L99 HydrophobicContact CG2-CD2 3.75Å; T97-L99 HydrophobicContact CG2-CG 4.44Å; T97-K106 HydrophobicContact CG2-CG 4.19Å; T97-V131 HydrophobicContact CG2-CG1 4.04Å; T97-V131 HydrophobicContact CG2-CG2 4.09Å
98	D	90.6	Very high	92	Very high	18 Å²	18	70.4 Å²	70.4	10%	0.096	33%	0.334	C	S	.	.			trans	-91.2	109.8	173.8	-164.6	-13	0	0	0	110.7	P68 Y96 R100 Q101	P68-D98 HydrophobicContact CG-CB 3.96Å; Y96-D98 PolarHBondContact O-N 2.96Å; D98-R100 VanDerWaalsContact C-N 3.3Å; D98-R100 WeakPolarHBondContact OD1-CB 3.42Å; D98-R100 IonicContact OD1-CZ 3.45Å; D98-R100 PolarHBondContact OD1-N 3.37Å; D98-R100 VanDerWaalsContact OD1-N 3.13Å; D98-R100 IonicContact OD1-NE 2.87Å; D98-R100 PolarHBondContact OD1-NE 2.91Å; D98-R100 IonicContact OD1-NH2 3.08Å; D98-R100 PolarHBondContact OD1-NH2 3.3Å; D98-R100 IonicContact OD2-CZ 2.79Å; D98-R100 IonicContact OD2-NE 3.57Å; D98-R100 IonicContact OD2-NH2 2.61Å; D98-R100 PolarHBondContact OD2-NH2 3.32Å; D98-Q101 HydrophobicContact CB-CG 4.07Å; D98-Q101 PolarHBondContact OD2-NE2 2.85Å
99	L	89.9	Confident	92.1	Very high	5 Å²	5	62.4 Å²	62.4	3%	0.026	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-11.7	-177.6	-55.8	-176.5	0	0	0	113	L66 L71 T97 Q101 Y130 V131	L66-L99 HydrophobicContact CB-CD1 4.41Å; L66-L99 VanDerWaalsContact O-CB 3.31Å; L66-L99 WeakPolarHBondContact O-CB 3.2Å; L66-L99 PolarHBondContact O-N 3.48Å; L66-L99 VanDerWaalsContact O-N 3.1Å; L71-L99 HydrophobicContact CD2-CD1 4.38Å; T97-L99 HydrophobicContact CG2-CD2 3.75Å; T97-L99 HydrophobicContact CG2-CG 4.44Å; L99-Q101 VanDerWaalsContact C-N 3.26Å; L99-Y130 WeakPolarHBondContact CD1-O 3.49Å; L99-V131 HydrophobicContact CD1-CG2 4.18Å; L99-V131 HydrophobicContact CD2-CG2 4.18Å
100	R	88.4	Confident	92.1	Very high	148 Å²	148	63.4 Å²	63.4	56%	0.558	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-22.7	174.9	-57.9	168.3	-60.1	173.2	7.9	112.1	C65 S67 D98	C65-R100 HydrophobicContact CB-CG 4.19Å; C65-R100 WeakPolarHBondContact O-CG 3.47Å; S67-R100 VanDerWaalsContact CB-CZ 3.5Å; D98-R100 VanDerWaalsContact C-N 3.3Å; D98-R100 WeakPolarHBondContact OD1-CB 3.42Å; D98-R100 IonicContact OD1-CZ 3.45Å; D98-R100 PolarHBondContact OD1-N 3.37Å; D98-R100 VanDerWaalsContact OD1-N 3.13Å; D98-R100 IonicContact OD1-NE 2.87Å; D98-R100 PolarHBondContact OD1-NE 2.91Å; D98-R100 IonicContact OD1-NH2 3.08Å; D98-R100 PolarHBondContact OD1-NH2 3.3Å; D98-R100 IonicContact OD2-CZ 2.79Å; D98-R100 IonicContact OD2-NE 3.57Å; D98-R100 IonicContact OD2-NH2 2.61Å; D98-R100 PolarHBondContact OD2-NH2 3.32Å
101	Q	85	Confident	92.2	Very high	158 Å²	158	63.5 Å²	63.5	74%	0.738	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.7	-34.7	-176.1	-63.5	-177.8	23.6	0	0	112.8	D98 L99	D98-Q101 HydrophobicContact CB-CG 4.07Å; D98-Q101 PolarHBondContact OD2-NE2 2.85Å; L99-Q101 VanDerWaalsContact C-N 3.26Å
102	S	81.6	Confident	92.1	Very high	36 Å²	36	67.7 Å²	67.7	25%	0.252	32%	0.322	S	S	.	.			trans	-161.2	129.9	-179	174.2	0	0	0	0	111.8	E104 K106	S102-E104 PolarHBondContact O-N 2.99Å; S102-E104 VanDerWaalsContact OG-CB 3.28Å; S102-E104 WeakPolarHBondContact OG-CB 3.14Å; S102-E104 VanDerWaalsContact OG-CG 3.29Å; S102-E104 WeakPolarHBondContact OG-CG 3.2Å; S102-E104 PolarHBondContact OG-N 3.44Å; S102-E104 VanDerWaalsContact OG-N 3.15Å; S102-K106 PolarHBondContact O-NZ 3.1Å
103	P	79.2	Confident	92.1	Very high	88 Å²	88	67.7 Å²	67.7	57%	0.571	33%	0.328	S	S	*	.			trans	-77.5	-7.4	172.7	34.1	-35.4	0	0	0	113	R63	R63-P103 PolarHBondContact NH1-O 2.88Å
104	E	87.8	Confident	92	Very high	135 Å²	135	66.5 Å²	66.5	63%	0.631	33%	0.325	S	S	*	.	S	Bend	trans	-60	155.6	-176.9	-64.3	-61.6	151.2	0	0	112.7	S102 K106	S102-E104 PolarHBondContact O-N 2.99Å; S102-E104 VanDerWaalsContact OG-CB 3.28Å; S102-E104 WeakPolarHBondContact OG-CB 3.14Å; S102-E104 VanDerWaalsContact OG-CG 3.29Å; S102-E104 WeakPolarHBondContact OG-CG 3.2Å; S102-E104 PolarHBondContact OG-N 3.44Å; S102-E104 VanDerWaalsContact OG-N 3.15Å; E104-K106 PolarHBondContact O-N 2.66Å
105	R	91.8	Very high	91.9	Very high	44 Å²	44	72.2 Å²	72.2	17%	0.166	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-56.7	127.4	174.6	-65.2	-172.8	172	-89.8	-4.2	109.8	Q132 F133 Q134 E159 T160	R105-Q132 CarbonylContact C-O 3.47Å; R105-Q132 WeakPolarHBondContact CA-O 3.03Å; R105-Q132 HydrophobicContact CB-CB 4.48Å; R105-Q132 HydrophobicContact CG-CB 3.79Å; R105-Q132 VanDerWaalsContact NH2-NE2 3.19Å; R105-F133 WeakPolarHBondContact CD-O 3.45Å; R105-F133 PolarHBondContact NH1-O 2.87Å; R105-Q134 HydrophobicContact CB-CG 3.88Å; R105-E159 VanDerWaalsContact CZ-O 3.31Å; R105-E159 PolarHBondContact NH1-O 3.3Å; R105-E159 PolarHBondContact NH2-O 2.97Å; R105-T160 PolarHBondContact NH1-O 2.79Å
106	K	93.8	Very high	91.9	Very high	45 Å²	45	68 Å²	68	20%	0.196	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	151.4	171.3	-54.8	-50.4	-175.8	-165.1	0	109.4	T97 S102 E104 V131 Q132 F133 Q134	T97-K106 HydrophobicContact CG2-CG 4.19Å; S102-K106 PolarHBondContact O-NZ 3.1Å; E104-K106 PolarHBondContact O-N 2.66Å; K106-V131 HydrophobicContact CB-CG1 4.37Å; K106-V131 HydrophobicContact CG-CG1 3.67Å; K106-Q132 PolarHBondContact N-O 3.28Å; K106-F133 HydrophobicContact CB-CD1 3.69Å; K106-F133 HydrophobicContact CB-CE1 3.81Å; K106-F133 HydrophobicContact CG-CE1 4.4Å; K106-F133 CarbonylContact O-C 3.47Å; K106-F133 VanDerWaalsContact O-C 3.32Å; K106-F133 WeakPolarHBondContact O-CA 3.48Å; K106-Q134 PolarHBondContact O-N 3.47Å
107	H	91.4	Very high	91.7	Very high	123 Å²	123	62.6 Å²	62.6	57%	0.569	32%	0.316	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66	-60.6	-168.1	-170.7	-99.9	0	0	0	113	Q134 H135	H107-Q134 PolarHBondContact CD2-OE1 3.29Å; H107-Q134 WeakPolarHBondContact O-CB 3.17Å; H107-Q134 PolarHBondContact O-N 2.84Å; H107-H135 PolarHBondContact O-N 3Å
108	V	94.9	Very high	91.6	Very high	64 Å²	64	62.9 Å²	62.9	39%	0.388	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	137.1	-174.5	169.7	0	0	0	0	110.5	N110 H135	V108-N110 HydrophobicContact CG1-CB 3.9Å; V108-H135 CarbonylContact C-O 3.55Å; V108-H135 WeakPolarHBondContact CA-O 3.38Å; V108-H135 HydrophobicContact CG2-CB 3.94Å
109	F	97.6	Very high	91.7	Very high	2 Å²	2	62.9 Å²	62.9	1%	0.009	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	115.4	161.1	-166.5	-106.4	0	0	0	108.9	V90 Q93 L111 L124 V127 F128 F133 H135 L136 N137	V90-F109 HydrophobicContact CB-CZ 4.34Å; V90-F109 HydrophobicContact CG1-CE2 4.42Å; V90-F109 HydrophobicContact CG1-CZ 4.03Å; V90-F109 HydrophobicContact CG2-CZ 3.94Å; Q93-F109 HydrophobicContact CB-CD2 4.48Å; Q93-F109 HydrophobicContact CB-CE2 4.44Å; F109-L111 HydrophobicContact CD1-CD1 4.38Å; F109-L111 HydrophobicContact CD1-CG 4.23Å; F109-L111 HydrophobicContact CE1-CD1 3.61Å; F109-L111 HydrophobicContact CE1-CD2 4.28Å; F109-L111 HydrophobicContact CE1-CG 3.8Å; F109-L111 HydrophobicContact CZ-CD1 4.32Å; F109-L111 HydrophobicContact CZ-CD2 4.45Å; F109-L111 HydrophobicContact CZ-CG 4.45Å; F109-L124 HydrophobicContact CE1-CD2 3.91Å; F109-L124 HydrophobicContact CZ-CD2 3.96Å; F109-V127 HydrophobicContact CE2-CG1 4.48Å; F109-F128 AromaticContact CD1-CE1 3.85Å; F109-F128 HydrophobicContact CD1-CE1 3.85Å; F109-F128 AromaticContact CD1-CZ 4Å; F109-F128 HydrophobicContact CD1-CZ 4Å; F109-F128 AromaticContact CE1-CE1 3.83Å; F109-F128 HydrophobicContact CE1-CE1 3.83Å; F109-F128 AromaticContact CE1-CZ 3.87Å; F109-F128 HydrophobicContact CE1-CZ 3.87Å; F109-F128 HydrophobicContact CG-CE1 4.41Å; F109-F128 HydrophobicContact CZ-CE1 4.42Å; F109-F133 HydrophobicContact CB-CD1 3.59Å; F109-F133 HydrophobicContact CB-CD2 3.94Å; F109-F133 HydrophobicContact CB-CE1 3.65Å; F109-F133 HydrophobicContact CB-CE2 3.99Å; F109-F133 HydrophobicContact CB-CG 3.74Å; F109-F133 HydrophobicContact CB-CZ 3.84Å; F109-F133 AromaticContact CD2-CE1 3.79Å; F109-F133 HydrophobicContact CD2-CE1 3.79Å; F109-F133 HydrophobicContact CD2-CE2 4.05Å; F109-F133 AromaticContact CD2-CZ 3.46Å; F109-F133 HydrophobicContact CD2-CZ 3.46Å; F109-F133 VanDerWaalsContact CD2-CZ 3.46Å; F109-F133 HydrophobicContact CE2-CZ 4.19Å; F109-F133 HydrophobicContact CG-CD1 4.49Å; F109-F133 HydrophobicContact CG-CD2 4.45Å; F109-F133 HydrophobicContact CG-CE1 4.1Å; F109-F133 HydrophobicContact CG-CE2 4.05Å; F109-F133 AromaticContact CG-CZ 3.85Å; F109-F133 HydrophobicContact CG-CZ 3.85Å; F109-H135 PolarHBondContact N-O 3.16Å; F109-L136 HydrophobicContact CB-CD1 4.07Å; F109-L136 HydrophobicContact CD1-CD1 3.5Å; F109-L136 VanDerWaalsContact CD1-CD1 3.5Å; F109-L136 HydrophobicContact CE1-CD1 4.42Å; F109-L136 HydrophobicContact CG-CD1 4.26Å; F109-L136 WeakPolarHBondContact O-CA 3.44Å; F109-N137 PolarHBondContact O-N 3.39Å
110	N	97.6	Very high	92	Very high	67 Å²	67	63.6 Å²	63.6	36%	0.358	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	115.2	-170.1	-173.1	9.7	0	0	0	111.3	Q93 V108 K112 N137	Q93-N110 PolarHBondContact NE2-O 3.49Å; V108-N110 HydrophobicContact CG1-CB 3.9Å; N110-K112 WeakPolarHBondContact OD1-CB 3.29Å; N110-K112 PolarHBondContact OD1-N 3.09Å; N110-N137 HydrophobicContact CB-CB 4.46Å; N110-N137 PolarHBondContact OD1-ND2 3.26Å
111	L	98.1	Very high	92.5	Very high	1 Å²	1	56.6 Å²	56.6	1%	0.005	30%	0.303	C	S	.	.			trans	-119	22	171.4	-58.4	178.3	0	0	0	111.3	V90 F109 G113 C114 L116 L124 N137 L138 T141	V90-L111 HydrophobicContact CG2-CD1 4.1Å; V90-L111 HydrophobicContact CG2-CD2 3.72Å; F109-L111 HydrophobicContact CD1-CD1 4.38Å; F109-L111 HydrophobicContact CD1-CG 4.23Å; F109-L111 HydrophobicContact CE1-CD1 3.61Å; F109-L111 HydrophobicContact CE1-CD2 4.28Å; F109-L111 HydrophobicContact CE1-CG 3.8Å; F109-L111 HydrophobicContact CZ-CD1 4.32Å; F109-L111 HydrophobicContact CZ-CD2 4.45Å; F109-L111 HydrophobicContact CZ-CG 4.45Å; L111-G113 PolarHBondContact O-N 3.3Å; L111-C114 HydrophobicContact CB-CB 4.18Å; L111-C114 WeakPolarHBondContact O-CB 3.28Å; L111-C114 PolarHBondContact O-N 3.04Å; L111-C114 PolarHBondContact O-SG 3.46Å; L111-L116 HydrophobicContact CD1-CD1 4.43Å; L111-L124 HydrophobicContact CD1-CD1 3.75Å; L111-L124 HydrophobicContact CD1-CD2 4.02Å; L111-N137 PolarHBondContact N-O 3.29Å; L111-L138 HydrophobicContact CB-CD2 4.04Å; L111-L138 HydrophobicContact CD1-CD2 3.98Å; L111-L138 HydrophobicContact CG-CD2 4.43Å; L111-T141 WeakPolarHBondContact O-CG2 3.46Å
112	K	97.5	Very high	93	Very high	107 Å²	107	53.8 Å²	53.8	47%	0.465	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.1	127.6	179	173.5	174.9	178.9	156.4	0	111.3	N110 C114 E139	N110-K112 WeakPolarHBondContact OD1-CB 3.29Å; N110-K112 PolarHBondContact OD1-N 3.09Å; K112-C114 PolarHBondContact O-N 3.23Å; K112-E139 VanDerWaalsContact CA-O 3.29Å; K112-E139 WeakPolarHBondContact CA-O 3.22Å; K112-E139 HydrophobicContact CB-CB 4.39Å; K112-E139 HydrophobicContact CD-CB 4.3Å; K112-E139 HydrophobicContact CD-CG 4.31Å; K112-E139 WeakPolarHBondContact CD-OE2 3.39Å; K112-E139 WeakPolarHBondContact CE-OE1 3.47Å; K112-E139 VanDerWaalsContact CE-OE2 3.26Å; K112-E139 WeakPolarHBondContact CE-OE2 3.33Å; K112-E139 HydrophobicContact CG-CB 4.02Å; K112-E139 HydrophobicContact CG-CG 4.24Å; K112-E139 IonicContact NZ-OE1 3.44Å; K112-E139 PolarHBondContact NZ-OE1 3.15Å; K112-E139 IonicContact NZ-OE2 2.59Å; K112-E139 PolarHBondContact NZ-OE2 3.23Å
113	G	96	Very high	93.7	Very high	36 Å²	36	52.2 Å²	52.2	37%	0.371	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.3	-6	179.3	0	0	0	0	0	115.3	L111 Q115 E139 N140	L111-G113 PolarHBondContact O-N 3.3Å; G113-Q115 PolarHBondContact O-N 2.64Å; G113-Q115 PolarHBondContact O-NE2 3.15Å; G113-E139 PolarHBondContact N-O 3.06Å; G113-N140 WeakPolarHBondContact CA-O 3.42Å; G113-N140 PolarHBondContact N-O 3.17Å
114	C	96.3	Very high	94.6	Very high	23 Å²	23	48 Å²	48	16%	0.155	25%	0.251	C	S	.	.			trans	-70.1	128.9	174.1	-65.3	0	0	0	0	109.9	S89 L111 K112 L116 T141	S89-C114 PolarHBondContact OG-SG 3.26Å; L111-C114 HydrophobicContact CB-CB 4.18Å; L111-C114 WeakPolarHBondContact O-CB 3.28Å; L111-C114 PolarHBondContact O-N 3.04Å; L111-C114 PolarHBondContact O-SG 3.46Å; K112-C114 PolarHBondContact O-N 3.23Å; C114-L116 HydrophobicContact CB-CD2 4.15Å; C114-L116 PolarHBondContact O-N 3.47Å; C114-L116 VanDerWaalsContact O-N 3.1Å; C114-T141 CarbonylContact O-C 3.44Å; C114-T141 WeakPolarHBondContact O-CA 3.37Å; C114-T141 WeakPolarHBondContact O-CB 3.42Å
115	Q	94.3	Very high	95.1	Very high	119 Å²	119	44.7 Å²	44.7	56%	0.556	24%	0.235	S	C	*	.			trans	-75.5	101.4	177.4	-59.8	-56.9	-58.9	0	0	109.6	G113	G113-Q115 PolarHBondContact O-N 2.64Å; G113-Q115 PolarHBondContact O-NE2 3.15Å
116	L	95.4	Very high	95.2	Very high	3 Å²	3	46.5 Å²	46.5	2%	0.016	24%	0.243	C	C	.	.			trans	-94.9	161.2	177.7	-51.7	-178.7	0	0	0	110.4	L87 L111 C114 H120 I121 L138 T141 N142 L143	L87-L116 HydrophobicContact CD1-CD2 3.33Å; L111-L116 HydrophobicContact CD1-CD1 4.43Å; C114-L116 HydrophobicContact CB-CD2 4.15Å; C114-L116 PolarHBondContact O-N 3.47Å; C114-L116 VanDerWaalsContact O-N 3.1Å; L116-H120 HydrophobicContact CB-CB 4.28Å; L116-H120 HydrophobicContact CD2-CB 4.08Å; L116-I121 HydrophobicContact CD1-CD1 3.92Å; L116-L138 HydrophobicContact CD1-CD2 3.83Å; L116-T141 WeakPolarHBondContact CA-O 3.35Å; L116-T141 VanDerWaalsContact CB-O 3.27Å; L116-T141 WeakPolarHBondContact CB-O 3.39Å; L116-T141 HydrophobicContact CD1-CG2 4.11Å; L116-T141 HydrophobicContact CG-CG2 4.4Å; L116-T141 PolarHBondContact N-O 3.32Å; L116-N142 PolarHBondContact O-ND2 2.91Å; L116-L143 HydrophobicContact CD1-CD2 4.37Å
117	N	87.3	Confident	95.4	Very high	80 Å²	80	44.3 Å²	44.3	43%	0.428	23%	0.233	S	C	.	.			trans	-134.8	173.4	167.4	65.9	21.5	0	0	0	107.5	G119 H120 I121	N117-G119 VanDerWaalsContact C-N 3.27Å; N117-G119 PolarHBondContact O-N 2.87Å; N117-G119 PolarHBondContact OD1-N 2.81Å; N117-H120 PolarHBondContact N-ND1 3.19Å; N117-H120 VanDerWaalsContact N-ND1 3.17Å; N117-H120 WeakPolarHBondContact O-CB 3.29Å; N117-H120 PolarHBondContact O-N 3.5Å; N117-H120 PolarHBondContact OD1-N 3.43Å; N117-H120 PolarHBondContact OD1-ND1 3.13Å; N117-I121 PolarHBondContact O-N 3.4Å
118	G	88.8	Confident	95.6	Very high	19 Å²	19	38.5 Å²	38.5	20%	0.196	21%	0.206	C	C	.	.	H	α-helix	trans	-51.4	-44.6	180	0	0	0	0	0	113.4	H120 I121 E122	G118-H120 VanDerWaalsContact C-N 3.32Å; G118-H120 PolarHBondContact O-N 3.1Å; G118-I121 WeakPolarHBondContact O-CB 3.28Å; G118-I121 PolarHBondContact O-N 3.24Å; G118-E122 PolarHBondContact O-N 2.96Å
119	G	93.9	Very high	95.5	Very high	18 Å²	18	40 Å²	40	19%	0.186	21%	0.208	C	C	.	.	H	α-helix	trans	-58.9	-38.7	177.3	0	0	0	0	0	113.5	I84 N117 I121 E122 M123	I84-G119 WeakPolarHBondContact CD1-O 3.31Å; N117-G119 VanDerWaalsContact C-N 3.27Å; N117-G119 PolarHBondContact O-N 2.87Å; N117-G119 PolarHBondContact OD1-N 2.81Å; G119-I121 VanDerWaalsContact C-N 3.27Å; G119-I121 PolarHBondContact O-N 3.28Å; G119-E122 PolarHBondContact O-N 3.48Å; G119-M123 WeakPolarHBondContact O-CG 3.38Å; G119-M123 PolarHBondContact O-N 3.4Å
120	H	96.4	Very high	95.3	Very high	20 Å²	20	41.4 Å²	41.4	9%	0.093	21%	0.213	C	C	.	.	H	α-helix	trans	-62	-35.4	175.3	-65.8	109.5	0	0	0	112.3	L116 N117 G118 M123 L124	L116-H120 HydrophobicContact CB-CB 4.28Å; L116-H120 HydrophobicContact CD2-CB 4.08Å; N117-H120 PolarHBondContact N-ND1 3.19Å; N117-H120 VanDerWaalsContact N-ND1 3.17Å; N117-H120 WeakPolarHBondContact O-CB 3.29Å; N117-H120 PolarHBondContact O-N 3.5Å; N117-H120 PolarHBondContact OD1-N 3.43Å; N117-H120 PolarHBondContact OD1-ND1 3.13Å; G118-H120 VanDerWaalsContact C-N 3.32Å; G118-H120 PolarHBondContact O-N 3.1Å; H120-M123 PolarHBondContact O-N 3.11Å; H120-L124 VanDerWaalsContact O-CG 3.31Å; H120-L124 WeakPolarHBondContact O-CG 3.31Å; H120-L124 PolarHBondContact O-N 3.29Å
121	I	97.2	Very high	95.2	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.005	20%	0.196	C	C	.	.	H	α-helix	trans	-66.7	-42.1	177.6	-59.8	-50.8	0	0	0	111.1	L116 N117 G118 G119 M123 L124 E125 L143 L151 I154	L116-I121 HydrophobicContact CD1-CD1 3.92Å; N117-I121 PolarHBondContact O-N 3.4Å; G118-I121 WeakPolarHBondContact O-CB 3.28Å; G118-I121 PolarHBondContact O-N 3.24Å; G119-I121 VanDerWaalsContact C-N 3.27Å; G119-I121 PolarHBondContact O-N 3.28Å; I121-M123 VanDerWaalsContact C-N 3.3Å; I121-M123 PolarHBondContact O-N 3.03Å; I121-L124 HydrophobicContact CD1-CD1 4.09Å; I121-L124 WeakPolarHBondContact O-CB 3.43Å; I121-L124 PolarHBondContact O-N 3.01Å; I121-L124 VanDerWaalsContact O-N 3.15Å; I121-E125 PolarHBondContact O-N 3.36Å; I121-L143 HydrophobicContact CD1-CD2 3.84Å; I121-L143 HydrophobicContact CG1-CD2 4.22Å; I121-L151 HydrophobicContact CG2-CB 4.13Å; I121-I154 HydrophobicContact CG2-CD1 3.96Å
122	E	95.9	Very high	95	Very high	98 Å²	98	39.4 Å²	39.4	46%	0.458	20%	0.201	S	C	.	.	H	α-helix	trans	-59	-43.1	172.6	-63.1	175.3	-175.3	0	0	111.1	G118 G119 L124 E125 Y126	G118-E122 PolarHBondContact O-N 2.96Å; G119-E122 PolarHBondContact O-N 3.48Å; E122-L124 VanDerWaalsContact C-N 3.3Å; E122-L124 PolarHBondContact O-N 2.78Å; E122-E125 WeakPolarHBondContact O-CB 3.44Å; E122-E125 PolarHBondContact O-N 3.19Å; E122-E125 VanDerWaalsContact O-N 3.16Å; E122-Y126 WeakPolarHBondContact O-CD2 3.47Å
123	M	97.3	Very high	94.9	Very high	3 Å²	3	34.5 Å²	34.5	2%	0.015	18%	0.18	C	C	.	.	H	α-helix	trans	-66.2	-32.6	177.4	-62.3	-51.9	91.7	0	0	112.5	Y75 Q78 S82 I84 G119 H120 I121 E125 Y126	Y75-M123 HydrophobicContact CE2-CB 3.95Å; Q78-M123 HydrophobicContact CB-SD 4.31Å; Q78-M123 HydrophobicContact CG-CE 4.16Å; Q78-M123 HydrophobicContact CG-SD 3.73Å; S82-M123 WeakPolarHBondContact OG-CE 3.48Å; I84-M123 HydrophobicContact CB-CG 4.23Å; I84-M123 HydrophobicContact CD1-CE 4.16Å; I84-M123 HydrophobicContact CD1-CG 3.73Å; I84-M123 HydrophobicContact CD1-SD 4.14Å; I84-M123 HydrophobicContact CG2-CG 4.11Å; G119-M123 WeakPolarHBondContact O-CG 3.38Å; G119-M123 PolarHBondContact O-N 3.4Å; H120-M123 PolarHBondContact O-N 3.11Å; I121-M123 VanDerWaalsContact C-N 3.3Å; I121-M123 PolarHBondContact O-N 3.03Å; M123-E125 PolarHBondContact O-N 3.13Å; M123-Y126 HydrophobicContact CE-CE2 4.47Å; M123-Y126 WeakPolarHBondContact O-CB 3.25Å; M123-Y126 PolarHBondContact O-N 3.25Å
124	L	97.8	Very high	94.9	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-67.2	-24	175.6	-72.6	176.4	0	0	0	112.7	V90 F109 L111 H120 I121 E122 Y126 V127 F128	V90-L124 HydrophobicContact CG1-CD2 4.49Å; V90-L124 HydrophobicContact CG2-CD2 3.76Å; F109-L124 HydrophobicContact CE1-CD2 3.91Å; F109-L124 HydrophobicContact CZ-CD2 3.96Å; L111-L124 HydrophobicContact CD1-CD1 3.75Å; L111-L124 HydrophobicContact CD1-CD2 4.02Å; H120-L124 VanDerWaalsContact O-CG 3.31Å; H120-L124 WeakPolarHBondContact O-CG 3.31Å; H120-L124 PolarHBondContact O-N 3.29Å; I121-L124 HydrophobicContact CD1-CD1 4.09Å; I121-L124 WeakPolarHBondContact O-CB 3.43Å; I121-L124 PolarHBondContact O-N 3.01Å; I121-L124 VanDerWaalsContact O-N 3.15Å; E122-L124 VanDerWaalsContact C-N 3.3Å; E122-L124 PolarHBondContact O-N 2.78Å; L124-Y126 PolarHBondContact O-N 3.35Å; L124-V127 WeakPolarHBondContact O-CA 3.44Å; L124-V127 WeakPolarHBondContact O-CB 3.44Å; L124-V127 PolarHBondContact O-N 3.16Å; L124-F128 HydrophobicContact CB-CD2 4.09Å; L124-F128 HydrophobicContact CB-CE2 3.69Å; L124-F128 HydrophobicContact CB-CZ 4.14Å; L124-F128 HydrophobicContact CD1-CE2 4.27Å; L124-F128 HydrophobicContact CD1-CZ 4.31Å; L124-F128 HydrophobicContact CG-CE2 4.49Å; L124-F128 WeakPolarHBondContact O-CD2 3.26Å; L124-F128 WeakPolarHBondContact O-CG 3.46Å; L124-F128 PolarHBondContact O-N 3.05Å
125	E	97.1	Very high	94.9	Very high	66 Å²	66	38.7 Å²	38.7	31%	0.308	19%	0.188	S	C	.	.	H	α-helix	trans	-55.5	-39	172.4	-168.4	-176.1	164.7	0	0	111.4	I121 E122 M123 V127 F128 K129 I154 Y158	I121-E125 PolarHBondContact O-N 3.36Å; E122-E125 WeakPolarHBondContact O-CB 3.44Å; E122-E125 PolarHBondContact O-N 3.19Å; E122-E125 VanDerWaalsContact O-N 3.16Å; M123-E125 PolarHBondContact O-N 3.13Å; E125-V127 PolarHBondContact O-N 3.38Å; E125-V127 VanDerWaalsContact O-N 3.14Å; E125-F128 PolarHBondContact O-N 3.24Å; E125-F128 VanDerWaalsContact O-N 3.12Å; E125-K129 VanDerWaalsContact O-CB 3.29Å; E125-K129 WeakPolarHBondContact O-CB 3.44Å; E125-K129 PolarHBondContact O-N 2.92Å; E125-I154 HydrophobicContact CB-CD1 3.87Å; E125-I154 HydrophobicContact CB-CG1 4.18Å; E125-I154 HydrophobicContact CG-CD1 4.27Å; E125-I154 HydrophobicContact CG-CG1 4.01Å; E125-I154 HydrophobicContact CG-CG2 4.27Å; E125-Y158 HydrophobicContact CG-CD2 4.48Å; E125-Y158 HydrophobicContact CG-CE2 3.59Å; E125-Y158 VanDerWaalsContact OE1-CE2 3.29Å; E125-Y158 WeakPolarHBondContact OE1-CE2 3.3Å; E125-Y158 PolarHBondContact OE1-OH 3.31Å
126	Y	95.6	Very high	95.1	Very high	81 Å²	81	33.1 Å²	33.1	32%	0.318	16%	0.162	S	C	.	.	H	α-helix	trans	-69.2	-10.5	178.4	-67.4	-97.3	0	0	0	113.6	Q78 E122 M123 L124 Y130	Q78-Y126 HydrophobicContact CB-CD1 4.25Å; Q78-Y126 HydrophobicContact CB-CD2 4.42Å; Q78-Y126 HydrophobicContact CB-CE1 4.43Å; Q78-Y126 HydrophobicContact CB-CG 4.23Å; Q78-Y126 VanDerWaalsContact CD-CZ 3.43Å; Q78-Y126 HydrophobicContact CG-CD1 3.93Å; Q78-Y126 HydrophobicContact CG-CD2 3.64Å; Q78-Y126 HydrophobicContact CG-CE1 3.74Å; Q78-Y126 HydrophobicContact CG-CE2 3.46Å; Q78-Y126 VanDerWaalsContact CG-CE2 3.46Å; Q78-Y126 HydrophobicContact CG-CG 3.86Å; Q78-Y126 VanDerWaalsContact CG-CZ 3.49Å; Q78-Y126 PolarHBondContact NE2-OH 3.34Å; E122-Y126 WeakPolarHBondContact O-CD2 3.47Å; M123-Y126 HydrophobicContact CE-CE2 4.47Å; M123-Y126 WeakPolarHBondContact O-CB 3.25Å; M123-Y126 PolarHBondContact O-N 3.25Å; L124-Y126 PolarHBondContact O-N 3.35Å; Y126-Y130 WeakPolarHBondContact O-CD2 3.4Å
127	V	96.5	Very high	95.2	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-92.5	-50.3	166.3	179.8	0	0	0	0	109.6	Y75 V90 L94 F109 L124 E125 K129 Y130 V131	Y75-V127 HydrophobicContact CD2-CG2 3.79Å; Y75-V127 HydrophobicContact CE2-CG2 4.38Å; Y75-V127 HydrophobicContact CG-CG2 4.17Å; V90-V127 HydrophobicContact CG1-CG2 4.07Å; L94-V127 HydrophobicContact CD1-CG1 4.3Å; L94-V127 HydrophobicContact CD1-CG2 3.96Å; L94-V127 HydrophobicContact CD2-CG1 3.84Å; F109-V127 HydrophobicContact CE2-CG1 4.48Å; L124-V127 WeakPolarHBondContact O-CA 3.44Å; L124-V127 WeakPolarHBondContact O-CB 3.44Å; L124-V127 PolarHBondContact O-N 3.16Å; E125-V127 PolarHBondContact O-N 3.38Å; E125-V127 VanDerWaalsContact O-N 3.14Å; V127-K129 VanDerWaalsContact C-N 3.28Å; V127-K129 PolarHBondContact O-N 2.93Å; V127-Y130 CarbonylContact O-C 3.58Å; V127-Y130 PolarHBondContact O-N 3.1Å; V127-V131 HydrophobicContact CG1-CG2 4.35Å; V127-V131 PolarHBondContact O-N 3.37Å
128	F	95.8	Very high	95.7	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-68.6	-22.2	-172.9	-62.1	-27.1	0	0	0	114.4	W60 F109 L124 E125 Y130 F133 L136 L151 I154 T160	W60-F128 WeakPolarHBondContact CH2-O 3.35Å; F109-F128 AromaticContact CD1-CE1 3.85Å; F109-F128 HydrophobicContact CD1-CE1 3.85Å; F109-F128 AromaticContact CD1-CZ 4Å; F109-F128 HydrophobicContact CD1-CZ 4Å; F109-F128 AromaticContact CE1-CE1 3.83Å; F109-F128 HydrophobicContact CE1-CE1 3.83Å; F109-F128 AromaticContact CE1-CZ 3.87Å; F109-F128 HydrophobicContact CE1-CZ 3.87Å; F109-F128 HydrophobicContact CG-CE1 4.41Å; F109-F128 HydrophobicContact CZ-CE1 4.42Å; L124-F128 HydrophobicContact CB-CD2 4.09Å; L124-F128 HydrophobicContact CB-CE2 3.69Å; L124-F128 HydrophobicContact CB-CZ 4.14Å; L124-F128 HydrophobicContact CD1-CE2 4.27Å; L124-F128 HydrophobicContact CD1-CZ 4.31Å; L124-F128 HydrophobicContact CG-CE2 4.49Å; L124-F128 WeakPolarHBondContact O-CD2 3.26Å; L124-F128 WeakPolarHBondContact O-CG 3.46Å; L124-F128 PolarHBondContact O-N 3.05Å; E125-F128 PolarHBondContact O-N 3.24Å; E125-F128 VanDerWaalsContact O-N 3.12Å; F128-Y130 PolarHBondContact O-N 3.28Å; F128-F133 HydrophobicContact CD1-CD2 4.22Å; F128-F133 AromaticContact CD1-CE2 3.86Å; F128-F133 HydrophobicContact CD1-CE2 3.86Å; F128-F133 HydrophobicContact CE1-CD2 4.16Å; F128-F133 AromaticContact CE1-CE2 3.84Å; F128-F133 HydrophobicContact CE1-CE2 3.84Å; F128-L136 HydrophobicContact CE1-CD1 4.3Å; F128-L136 HydrophobicContact CE2-CD2 4.19Å; F128-L136 HydrophobicContact CZ-CD1 3.81Å; F128-L136 HydrophobicContact CZ-CD2 3.94Å; F128-L151 HydrophobicContact CE2-CD1 4.43Å; F128-I154 HydrophobicContact CB-CG2 4Å; F128-I154 HydrophobicContact CD2-CG2 3.83Å; F128-I154 HydrophobicContact CG-CG2 4.42Å; F128-T160 HydrophobicContact CB-CG2 3.64Å; F128-T160 HydrophobicContact CD1-CG2 3.39Å; F128-T160 HydrophobicContact CD2-CG2 4Å; F128-T160 HydrophobicContact CE1-CG2 4Å; F128-T160 HydrophobicContact CG-CG2 3.4Å; F128-T160 VanDerWaalsContact CG-CG2 3.4Å
129	K	93.8	Very high	96.2	Very high	96 Å²	96	30 Å²	30	42%	0.417	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-24.4	168.7	176.9	171	-178.4	175.5	0	113.5	W60 E125 V127 Y158	W60-K129 VanDerWaalsContact CZ3-O 3.26Å; W60-K129 WeakPolarHBondContact CZ3-O 3.31Å; E125-K129 VanDerWaalsContact O-CB 3.29Å; E125-K129 WeakPolarHBondContact O-CB 3.44Å; E125-K129 PolarHBondContact O-N 2.92Å; V127-K129 VanDerWaalsContact C-N 3.28Å; V127-K129 PolarHBondContact O-N 2.93Å; K129-Y158 HydrophobicContact CB-CD1 4.22Å; K129-Y158 HydrophobicContact CB-CE1 3.72Å; K129-Y158 HydrophobicContact CD-CE1 4.19Å; K129-Y158 HydrophobicContact CG-CD1 4.38Å; K129-Y158 HydrophobicContact CG-CE1 3.65Å
130	Y	93.6	Very high	96.4	Very high	31 Å²	31	32.7 Å²	32.7	12%	0.122	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.4	-14	-178.5	-59.7	-79.9	0	0	0	113.5	R63 Q64 L66 L71 I74 L99 Y126 V127 F128	R63-Y130 PolarHBondContact NE-O 2.89Å; R63-Y130 PolarHBondContact NH2-O 3.16Å; Q64-Y130 HydrophobicContact CB-CE1 4.28Å; L66-Y130 HydrophobicContact CD1-CD1 3.78Å; L66-Y130 HydrophobicContact CD1-CD2 4.4Å; L66-Y130 HydrophobicContact CD1-CE1 3.94Å; L66-Y130 HydrophobicContact CD1-CG 4.02Å; L71-Y130 HydrophobicContact CD1-CD2 3.98Å; L71-Y130 HydrophobicContact CD1-CG 4.22Å; I74-Y130 HydrophobicContact CG2-CE2 4.44Å; L99-Y130 WeakPolarHBondContact CD1-O 3.49Å; Y126-Y130 WeakPolarHBondContact O-CD2 3.4Å; V127-Y130 CarbonylContact O-C 3.58Å; V127-Y130 PolarHBondContact O-N 3.1Å; F128-Y130 PolarHBondContact O-N 3.28Å
131	V	94.2	Very high	96.4	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	15%	0.146	C	C	.	.			trans	-135.4	120.2	-175.3	-164.1	0	0	0	0	110.3	L71 T97 L99 K106 V127 F133	L71-V131 HydrophobicContact CD2-CG2 3.6Å; T97-V131 HydrophobicContact CG2-CG1 4.04Å; T97-V131 HydrophobicContact CG2-CG2 4.09Å; L99-V131 HydrophobicContact CD1-CG2 4.18Å; L99-V131 HydrophobicContact CD2-CG2 4.18Å; K106-V131 HydrophobicContact CB-CG1 4.37Å; K106-V131 HydrophobicContact CG-CG1 3.67Å; V127-V131 HydrophobicContact CG1-CG2 4.35Å; V127-V131 PolarHBondContact O-N 3.37Å; V131-F133 HydrophobicContact CB-CE2 3.8Å; V131-F133 HydrophobicContact CB-CZ 3.83Å; V131-F133 HydrophobicContact CG1-CD1 4.43Å; V131-F133 HydrophobicContact CG1-CD2 4.37Å; V131-F133 HydrophobicContact CG1-CE1 3.78Å; V131-F133 HydrophobicContact CG1-CE2 3.71Å; V131-F133 HydrophobicContact CG1-CZ 3.38Å
132	Q	94.4	Very high	96.4	Very high	26 Å²	26	34.5 Å²	34.5	12%	0.121	16%	0.161	C	C	.	.			trans	-90	145	164.9	-62.6	-177.1	-57.2	0	0	109.9	W60 R105 K106 E159 T160	W60-Q132 HydrophobicContact CD2-CG 4.27Å; W60-Q132 VanDerWaalsContact CE2-CD 3.46Å; W60-Q132 VanDerWaalsContact CE2-NE2 3.3Å; W60-Q132 HydrophobicContact CE3-CG 4.48Å; W60-Q132 HydrophobicContact CH2-CG 3.35Å; W60-Q132 HydrophobicContact CZ2-CG 3.09Å; W60-Q132 HydrophobicContact CZ3-CG 4.07Å; R105-Q132 CarbonylContact C-O 3.47Å; R105-Q132 WeakPolarHBondContact CA-O 3.03Å; R105-Q132 HydrophobicContact CB-CB 4.48Å; R105-Q132 HydrophobicContact CG-CB 3.79Å; R105-Q132 VanDerWaalsContact NH2-NE2 3.19Å; K106-Q132 PolarHBondContact N-O 3.28Å; Q132-E159 PolarHBondContact NE2-O 2.94Å; Q132-T160 CarbonylContact C-O 3.55Å; Q132-T160 WeakPolarHBondContact CA-O 3.33Å
133	F	95.6	Very high	96.4	Very high	4 Å²	4	29.9 Å²	29.9	2%	0.018	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	160.4	176.5	-62.2	-82	0	0	0	110.6	R105 K106 F109 F128 V131 T160 C161	R105-F133 WeakPolarHBondContact CD-O 3.45Å; R105-F133 PolarHBondContact NH1-O 2.87Å; K106-F133 HydrophobicContact CB-CD1 3.69Å; K106-F133 HydrophobicContact CB-CE1 3.81Å; K106-F133 HydrophobicContact CG-CE1 4.4Å; K106-F133 CarbonylContact O-C 3.47Å; K106-F133 VanDerWaalsContact O-C 3.32Å; K106-F133 WeakPolarHBondContact O-CA 3.48Å; F109-F133 HydrophobicContact CB-CD1 3.59Å; F109-F133 HydrophobicContact CB-CD2 3.94Å; F109-F133 HydrophobicContact CB-CE1 3.65Å; F109-F133 HydrophobicContact CB-CE2 3.99Å; F109-F133 HydrophobicContact CB-CG 3.74Å; F109-F133 HydrophobicContact CB-CZ 3.84Å; F109-F133 AromaticContact CD2-CE1 3.79Å; F109-F133 HydrophobicContact CD2-CE1 3.79Å; F109-F133 HydrophobicContact CD2-CE2 4.05Å; F109-F133 AromaticContact CD2-CZ 3.46Å; F109-F133 HydrophobicContact CD2-CZ 3.46Å; F109-F133 VanDerWaalsContact CD2-CZ 3.46Å; F109-F133 HydrophobicContact CE2-CZ 4.19Å; F109-F133 HydrophobicContact CG-CD1 4.49Å; F109-F133 HydrophobicContact CG-CD2 4.45Å; F109-F133 HydrophobicContact CG-CE1 4.1Å; F109-F133 HydrophobicContact CG-CE2 4.05Å; F109-F133 AromaticContact CG-CZ 3.85Å; F109-F133 HydrophobicContact CG-CZ 3.85Å; F128-F133 HydrophobicContact CD1-CD2 4.22Å; F128-F133 AromaticContact CD1-CE2 3.86Å; F128-F133 HydrophobicContact CD1-CE2 3.86Å; F128-F133 HydrophobicContact CE1-CD2 4.16Å; F128-F133 AromaticContact CE1-CE2 3.84Å; F128-F133 HydrophobicContact CE1-CE2 3.84Å; V131-F133 HydrophobicContact CB-CE2 3.8Å; V131-F133 HydrophobicContact CB-CZ 3.83Å; V131-F133 HydrophobicContact CG1-CD1 4.43Å; V131-F133 HydrophobicContact CG1-CD2 4.37Å; V131-F133 HydrophobicContact CG1-CE1 3.78Å; V131-F133 HydrophobicContact CG1-CE2 3.71Å; V131-F133 HydrophobicContact CG1-CZ 3.38Å; F133-T160 HydrophobicContact CD2-CG2 4.3Å; F133-T160 PolarHBondContact N-O 3.16Å; F133-C161 VanDerWaalsContact O-CA 3.28Å; F133-C161 WeakPolarHBondContact O-CA 3.47Å
134	Q	95.1	Very high	96.4	Very high	73 Å²	73	32.7 Å²	32.7	34%	0.341	15%	0.154	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	-55.5	163.5	-62.6	175.1	-18.9	0	0	107.5	R105 K106 H107 T162 G163	R105-Q134 HydrophobicContact CB-CG 3.88Å; K106-Q134 PolarHBondContact O-N 3.47Å; H107-Q134 PolarHBondContact CD2-OE1 3.29Å; H107-Q134 WeakPolarHBondContact O-CB 3.17Å; H107-Q134 PolarHBondContact O-N 2.84Å; Q134-T162 PolarHBondContact O-N 3.37Å; Q134-T162 PolarHBondContact O-OG1 3.43Å; Q134-G163 PolarHBondContact O-N 3.41Å
135	H	96.7	Very high	96.4	Very high	74 Å²	74	35.4 Å²	35.4	34%	0.343	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	125.5	-179.4	-62.9	-67	0	0	0	112.9	H107 V108 F109 G163	H107-H135 PolarHBondContact O-N 3Å; V108-H135 CarbonylContact C-O 3.55Å; V108-H135 WeakPolarHBondContact CA-O 3.38Å; V108-H135 HydrophobicContact CG2-CB 3.94Å; F109-H135 PolarHBondContact N-O 3.16Å; H135-G163 CarbonylContact C-O 3.56Å; H135-G163 WeakPolarHBondContact CA-O 3.4Å
136	L	98.1	Very high	96.4	Very high	2 Å²	2	38.6 Å²	38.6	1%	0.01	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	119.7	169.7	175.3	58.2	0	0	0	109.5	F109 F128 L138 L151 L155 C161 G163 L164 C165	F109-L136 HydrophobicContact CB-CD1 4.07Å; F109-L136 HydrophobicContact CD1-CD1 3.5Å; F109-L136 VanDerWaalsContact CD1-CD1 3.5Å; F109-L136 HydrophobicContact CE1-CD1 4.42Å; F109-L136 HydrophobicContact CG-CD1 4.26Å; F109-L136 WeakPolarHBondContact O-CA 3.44Å; F128-L136 HydrophobicContact CE1-CD1 4.3Å; F128-L136 HydrophobicContact CE2-CD2 4.19Å; F128-L136 HydrophobicContact CZ-CD1 3.81Å; F128-L136 HydrophobicContact CZ-CD2 3.94Å; L136-L138 HydrophobicContact CD1-CD1 4.45Å; L136-L138 HydrophobicContact CD1-CD2 4.42Å; L136-L138 HydrophobicContact CD1-CG 4.16Å; L136-L138 HydrophobicContact CD2-CD1 4.11Å; L136-L138 HydrophobicContact CG-CD1 4.19Å; L136-L138 HydrophobicContact CG-CG 4.18Å; L136-L151 HydrophobicContact CD2-CD1 4.46Å; L136-L155 HydrophobicContact CD2-CD2 3.76Å; L136-C161 HydrophobicContact CB-CB 3.9Å; L136-G163 PolarHBondContact N-O 3.24Å; L136-L164 HydrophobicContact CB-CD1 3.99Å; L136-L164 HydrophobicContact CD2-CD1 3.76Å; L136-L164 HydrophobicContact CG-CD1 3.86Å; L136-C165 PolarHBondContact O-N 3.1Å
137	N	98.4	Very high	96.5	Very high	30 Å²	30	34.8 Å²	34.8	16%	0.16	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	110.4	180	-170.3	0	0	0	0	111.8	F109 N110 L111 E139 C165	F109-N137 PolarHBondContact O-N 3.39Å; N110-N137 HydrophobicContact CB-CB 4.46Å; N110-N137 PolarHBondContact OD1-ND2 3.26Å; L111-N137 PolarHBondContact N-O 3.29Å; N137-E139 WeakPolarHBondContact OD1-CB 3.44Å; N137-E139 PolarHBondContact OD1-N 2.86Å; N137-C165 HydrophobicContact CB-CB 4.47Å; N137-C165 PolarHBondContact OD1-SG 3.04Å; N137-C165 VanDerWaalsContact OD1-SG 3.42Å
138	L	98.3	Very high	96.5	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.17	C	C	.	.			trans	-119.8	33.2	175.8	-60.4	168.5	0	0	0	110.4	L111 L116 L136 N140 T141 L143 L151 C165 L166 N169	L111-L138 HydrophobicContact CB-CD2 4.04Å; L111-L138 HydrophobicContact CD1-CD2 3.98Å; L111-L138 HydrophobicContact CG-CD2 4.43Å; L116-L138 HydrophobicContact CD1-CD2 3.83Å; L136-L138 HydrophobicContact CD1-CD1 4.45Å; L136-L138 HydrophobicContact CD1-CD2 4.42Å; L136-L138 HydrophobicContact CD1-CG 4.16Å; L136-L138 HydrophobicContact CD2-CD1 4.11Å; L136-L138 HydrophobicContact CG-CD1 4.19Å; L136-L138 HydrophobicContact CG-CG 4.18Å; L138-N140 PolarHBondContact O-N 3.15Å; L138-T141 VanDerWaalsContact C-CG2 3.5Å; L138-T141 HydrophobicContact CB-CG2 4.17Å; L138-T141 HydrophobicContact CD2-CG2 4.42Å; L138-T141 WeakPolarHBondContact O-CG2 3.23Å; L138-T141 PolarHBondContact O-OG1 3.49Å; L138-L143 HydrophobicContact CB-CD1 4.36Å; L138-L151 HydrophobicContact CD1-CD1 3.99Å; L138-L151 HydrophobicContact CD1-CD2 3.45Å; L138-L151 VanDerWaalsContact CD1-CD2 3.45Å; L138-L151 HydrophobicContact CD1-CG 4.39Å; L138-C165 CarbonylContact C-O 3.32Å; L138-C165 WeakPolarHBondContact CA-O 3.4Å; L138-C165 PolarHBondContact N-O 2.98Å; L138-L166 HydrophobicContact CB-CD2 3.9Å; L138-L166 HydrophobicContact CD1-CD2 3.92Å; L138-L166 HydrophobicContact CG-CD2 4.46Å; L138-N169 PolarHBondContact O-ND2 3.35Å; L138-N169 VanDerWaalsContact O-ND2 3.08Å
139	E	98.3	Very high	96.6	Very high	6 Å²	6	39.9 Å²	39.9	3%	0.028	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	130.7	174.9	174.1	-178.8	176	0	0	111.3	K112 G113 N137 T141 A167 R168 R196	K112-E139 VanDerWaalsContact CA-O 3.29Å; K112-E139 WeakPolarHBondContact CA-O 3.22Å; K112-E139 HydrophobicContact CB-CB 4.39Å; K112-E139 HydrophobicContact CD-CB 4.3Å; K112-E139 HydrophobicContact CD-CG 4.31Å; K112-E139 WeakPolarHBondContact CD-OE2 3.39Å; K112-E139 WeakPolarHBondContact CE-OE1 3.47Å; K112-E139 VanDerWaalsContact CE-OE2 3.26Å; K112-E139 WeakPolarHBondContact CE-OE2 3.33Å; K112-E139 HydrophobicContact CG-CB 4.02Å; K112-E139 HydrophobicContact CG-CG 4.24Å; K112-E139 IonicContact NZ-OE1 3.44Å; K112-E139 PolarHBondContact NZ-OE1 3.15Å; K112-E139 IonicContact NZ-OE2 2.59Å; K112-E139 PolarHBondContact NZ-OE2 3.23Å; G113-E139 PolarHBondContact N-O 3.06Å; N137-E139 WeakPolarHBondContact OD1-CB 3.44Å; N137-E139 PolarHBondContact OD1-N 2.86Å; E139-T141 PolarHBondContact O-N 2.99Å; E139-A167 CarbonylContact C-O 3.56Å; E139-A167 VanDerWaalsContact CA-O 3.24Å; E139-A167 WeakPolarHBondContact CA-O 3.36Å; E139-A167 HydrophobicContact CB-CB 4.3Å; E139-A167 HydrophobicContact CG-CB 3.98Å; E139-R168 IonicContact OE1-CZ 3.98Å; E139-R168 IonicContact OE1-NH1 3.61Å; E139-R168 PolarHBondContact OE1-NH1 3.38Å; E139-R196 IonicContact OE1-NH2 2.87Å; E139-R196 PolarHBondContact OE1-NH2 3.5Å; E139-R196 IonicContact OE2-CZ 2.98Å; E139-R196 IonicContact OE2-NH2 3.36Å; E139-R196 PolarHBondContact OE2-NH2 3Å
140	N	97.8	Very high	96.8	Very high	75 Å²	75	36.9 Å²	36.9	40%	0.401	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.8	54.2	177.2	-170.8	40.1	0	0	0	112.4	G113 L138 A167 R168	G113-N140 WeakPolarHBondContact CA-O 3.42Å; G113-N140 PolarHBondContact N-O 3.17Å; L138-N140 PolarHBondContact O-N 3.15Å; N140-A167 PolarHBondContact N-O 3.05Å; N140-R168 VanDerWaalsContact CA-O 3.24Å; N140-R168 WeakPolarHBondContact CA-O 3.28Å; N140-R168 HydrophobicContact CB-CB 4.15Å
141	T	97.8	Very high	97	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.178	C	C	.	.	S	Bend	trans	-110.9	14.1	-175.7	52	0	0	0	0	114.3	L111 C114 L116 L138 E139 L143 N169	L111-T141 WeakPolarHBondContact O-CG2 3.46Å; C114-T141 CarbonylContact O-C 3.44Å; C114-T141 WeakPolarHBondContact O-CA 3.37Å; C114-T141 WeakPolarHBondContact O-CB 3.42Å; L116-T141 WeakPolarHBondContact CA-O 3.35Å; L116-T141 VanDerWaalsContact CB-O 3.27Å; L116-T141 WeakPolarHBondContact CB-O 3.39Å; L116-T141 HydrophobicContact CD1-CG2 4.11Å; L116-T141 HydrophobicContact CG-CG2 4.4Å; L116-T141 PolarHBondContact N-O 3.32Å; L138-T141 VanDerWaalsContact C-CG2 3.5Å; L138-T141 HydrophobicContact CB-CG2 4.17Å; L138-T141 HydrophobicContact CD2-CG2 4.42Å; L138-T141 WeakPolarHBondContact O-CG2 3.23Å; L138-T141 PolarHBondContact O-OG1 3.49Å; E139-T141 PolarHBondContact O-N 2.99Å; T141-L143 VanDerWaalsContact C-N 3.28Å; T141-L143 PolarHBondContact O-N 2.89Å; T141-L143 WeakPolarHBondContact OG1-CG 3.48Å; T141-N169 PolarHBondContact N-OD1 3.15Å; T141-N169 PolarHBondContact OG1-OD1 3.32Å
142	N	96.1	Very high	97.2	Very high	60 Å²	60	37.5 Å²	37.5	32%	0.321	19%	0.186	S	C	.	.			trans	61.3	35.1	178.7	-168.1	57.1	0	0	0	113.1	L116 N169 H171	L116-N142 PolarHBondContact O-ND2 2.91Å; N142-N169 PolarHBondContact N-OD1 3.28Å; N142-H171 PolarHBondContact OD1-CD2 3.38Å; N142-H171 PolarHBondContact OD1-NE2 3.25Å
143	L	96.9	Very high	97.3	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.005	21%	0.207	C	C	.	.			trans	-69.4	140.7	173.6	-57.6	177	0	0	0	110.8	L116 I121 L138 T141 S147 V148 L166 N169 H171 V172	L116-L143 HydrophobicContact CD1-CD2 4.37Å; I121-L143 HydrophobicContact CD1-CD2 3.84Å; I121-L143 HydrophobicContact CG1-CD2 4.22Å; L138-L143 HydrophobicContact CB-CD1 4.36Å; T141-L143 VanDerWaalsContact C-N 3.28Å; T141-L143 PolarHBondContact O-N 2.89Å; T141-L143 WeakPolarHBondContact OG1-CG 3.48Å; L143-S147 WeakPolarHBondContact CA-OG 3.46Å; L143-S147 WeakPolarHBondContact CB-OG 3.33Å; L143-V148 HydrophobicContact CB-CG2 4.17Å; L143-V148 HydrophobicContact CD1-CG2 4.35Å; L143-L166 HydrophobicContact CD1-CD2 4.07Å; L143-N169 HydrophobicContact CB-CB 4.19Å; L143-N169 PolarHBondContact N-OD1 3.43Å; L143-H171 WeakPolarHBondContact O-CB 3.44Å; L143-V172 HydrophobicContact CB-CG2 4.05Å; L143-V172 WeakPolarHBondContact O-CG2 3.19Å
144	D	96.4	Very high	97.3	Very high	61 Å²	61	42.2 Å²	42.2	33%	0.326	21%	0.209	S	C	.	.			trans	-108.8	-175	167.7	60.7	20.7	0	0	0	111.4	E146 S147 V148	D144-E146 PolarHBondContact O-N 3.1Å; D144-E146 PolarHBondContact OD1-N 3.4Å; D144-S147 PolarHBondContact N-OG 2.93Å; D144-S147 PolarHBondContact O-OG 2.91Å; D144-S147 WeakPolarHBondContact OD1-CB 3.28Å; D144-S147 PolarHBondContact OD1-N 3.15Å; D144-S147 PolarHBondContact OD1-OG 3.43Å; D144-V148 WeakPolarHBondContact O-CG2 3.18Å; D144-V148 PolarHBondContact O-N 3.45Å
145	N	97.6	Very high	97.4	Very high	58 Å²	58	38.9 Å²	38.9	31%	0.31	19%	0.193	S	C	.	.	H	α-helix	trans	-60.4	-43	-179.3	-65.1	-15.7	0	0	0	113.2	V148 E149 T173 G176	N145-V148 PolarHBondContact O-N 3.35Å; N145-E149 PolarHBondContact O-N 3.44Å; N145-T173 VanDerWaalsContact CG-OG1 3.23Å; N145-T173 PolarHBondContact ND2-OG1 2.91Å; N145-T173 PolarHBondContact OD1-N 3.33Å; N145-T173 PolarHBondContact OD1-OG1 2.79Å; N145-G176 WeakPolarHBondContact OD1-CA 3.43Å
146	E	97.4	Very high	97.2	Very high	132 Å²	132	36.5 Å²	36.5	62%	0.617	19%	0.185	S	C	*	.	H	α-helix	trans	-69.5	-43.8	-174.7	-175.7	172.5	-166.3	0	0	110.6	D144 V148 E149 S150	D144-E146 PolarHBondContact O-N 3.1Å; D144-E146 PolarHBondContact OD1-N 3.4Å; E146-V148 VanDerWaalsContact C-N 3.3Å; E146-V148 PolarHBondContact O-N 2.96Å; E146-E149 PolarHBondContact O-N 2.95Å; E146-E149 VanDerWaalsContact O-N 3.13Å; E146-S150 PolarHBondContact O-N 2.86Å; E146-S150 PolarHBondContact O-OG 2.69Å
147	S	97	Very high	97.1	Very high	2 Å²	2	42.3 Å²	42.3	1%	0.014	21%	0.208	C	C	.	.	H	α-helix	trans	-60.7	-36.3	174.8	63.1	0	0	0	0	112.9	L143 D144 L151	L143-S147 WeakPolarHBondContact CA-OG 3.46Å; L143-S147 WeakPolarHBondContact CB-OG 3.33Å; D144-S147 PolarHBondContact N-OG 2.93Å; D144-S147 PolarHBondContact O-OG 2.91Å; D144-S147 WeakPolarHBondContact OD1-CB 3.28Å; D144-S147 PolarHBondContact OD1-N 3.15Å; D144-S147 PolarHBondContact OD1-OG 3.43Å; S147-L151 WeakPolarHBondContact O-CB 3.43Å; S147-L151 PolarHBondContact O-N 3.4Å
148	V	97.9	Very high	96.8	Very high	1 Å²	1	41.6 Å²	41.6	1%	0.006	20%	0.203	C	C	.	.	H	α-helix	trans	-69.5	-37.7	174.2	170.8	0	0	0	0	112	L143 D144 N145 E146 Y152 V172 G176 W177 V180	L143-V148 HydrophobicContact CB-CG2 4.17Å; L143-V148 HydrophobicContact CD1-CG2 4.35Å; D144-V148 WeakPolarHBondContact O-CG2 3.18Å; D144-V148 PolarHBondContact O-N 3.45Å; N145-V148 PolarHBondContact O-N 3.35Å; E146-V148 VanDerWaalsContact C-N 3.3Å; E146-V148 PolarHBondContact O-N 2.96Å; V148-Y152 VanDerWaalsContact O-CB 3.31Å; V148-Y152 WeakPolarHBondContact O-CB 3.4Å; V148-Y152 PolarHBondContact O-N 3.24Å; V148-V172 HydrophobicContact CG2-CG1 4.02Å; V148-V172 HydrophobicContact CG2-CG2 3.65Å; V148-G176 WeakPolarHBondContact CG1-O 3.36Å; V148-W177 HydrophobicContact CG1-CE3 4.44Å; V148-W177 HydrophobicContact CG2-CZ3 4.24Å; V148-V180 HydrophobicContact CG1-CG2 3.51Å
149	E	97.6	Very high	96.6	Very high	106 Å²	106	44 Å²	44	50%	0.495	21%	0.214	S	C	.	.	H	α-helix	trans	-64.3	-51.6	175.7	-173.3	163	-161.4	0	0	111	N145 E146 L151 Y152 E153	N145-E149 PolarHBondContact O-N 3.44Å; E146-E149 PolarHBondContact O-N 2.95Å; E146-E149 VanDerWaalsContact O-N 3.13Å; E149-L151 VanDerWaalsContact C-N 3.32Å; E149-L151 PolarHBondContact O-N 3.46Å; E149-Y152 WeakPolarHBondContact O-CB 3.33Å; E149-Y152 PolarHBondContact O-N 3.45Å; E149-Y152 VanDerWaalsContact O-N 3.13Å; E149-E153 PolarHBondContact O-N 3.3Å
150	S	97.5	Very high	96.4	Very high	32 Å²	32	43.8 Å²	43.8	22%	0.224	21%	0.213	C	C	.	.	H	α-helix	trans	-58.8	-43.6	175.4	-57.9	0	0	0	0	111.8	E146 Y152 E153 I154	E146-S150 PolarHBondContact O-N 2.86Å; E146-S150 PolarHBondContact O-OG 2.69Å; S150-Y152 PolarHBondContact O-N 2.71Å; S150-E153 PolarHBondContact O-N 3.01Å; S150-I154 WeakPolarHBondContact O-CD1 3.31Å; S150-I154 VanDerWaalsContact O-CG1 3.23Å; S150-I154 WeakPolarHBondContact O-CG1 3.36Å; S150-I154 PolarHBondContact O-N 3.48Å
151	L	97.5	Very high	96.3	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.005	20%	0.195	C	C	.	.	H	α-helix	trans	-61.5	-45.4	176.5	-178.1	68	0	0	0	111.1	I121 F128 L136 L138 S147 E149 E153 I154 L155 L166	I121-L151 HydrophobicContact CG2-CB 4.13Å; F128-L151 HydrophobicContact CE2-CD1 4.43Å; L136-L151 HydrophobicContact CD2-CD1 4.46Å; L138-L151 HydrophobicContact CD1-CD1 3.99Å; L138-L151 HydrophobicContact CD1-CD2 3.45Å; L138-L151 VanDerWaalsContact CD1-CD2 3.45Å; L138-L151 HydrophobicContact CD1-CG 4.39Å; S147-L151 WeakPolarHBondContact O-CB 3.43Å; S147-L151 PolarHBondContact O-N 3.4Å; E149-L151 VanDerWaalsContact C-N 3.32Å; E149-L151 PolarHBondContact O-N 3.46Å; L151-E153 VanDerWaalsContact C-N 3.29Å; L151-E153 PolarHBondContact O-N 3.17Å; L151-I154 PolarHBondContact O-N 3.08Å; L151-L155 HydrophobicContact CD1-CD1 4.17Å; L151-L155 HydrophobicContact CD1-CD2 4.19Å; L151-L155 HydrophobicContact CD1-CG 3.97Å; L151-L155 HydrophobicContact CD2-CD1 4.26Å; L151-L155 HydrophobicContact CG-CD1 3.82Å; L151-L155 HydrophobicContact CG-CG 4Å; L151-L155 WeakPolarHBondContact O-CB 3.46Å; L151-L155 WeakPolarHBondContact O-CG 3.28Å; L151-L155 PolarHBondContact O-N 3.12Å; L151-L166 HydrophobicContact CD2-CD1 4.4Å; L151-L166 HydrophobicContact CD2-CD2 3.65Å
152	Y	97.7	Very high	96.1	Very high	43 Å²	43	40.8 Å²	40.8	17%	0.169	20%	0.197	C	C	.	.	H	α-helix	trans	-57.4	-41.9	177.2	156.1	-99.6	0	0	0	112.1	V148 E149 S150 S156 P179 F182 L183 E186	V148-Y152 VanDerWaalsContact O-CB 3.31Å; V148-Y152 WeakPolarHBondContact O-CB 3.4Å; V148-Y152 PolarHBondContact O-N 3.24Å; E149-Y152 WeakPolarHBondContact O-CB 3.33Å; E149-Y152 PolarHBondContact O-N 3.45Å; E149-Y152 VanDerWaalsContact O-N 3.13Å; S150-Y152 PolarHBondContact O-N 2.71Å; Y152-S156 WeakPolarHBondContact CD2-OG 3.2Å; Y152-S156 VanDerWaalsContact CE2-OG 3.26Å; Y152-S156 WeakPolarHBondContact CE2-OG 3.36Å; Y152-S156 WeakPolarHBondContact O-CB 3.41Å; Y152-S156 PolarHBondContact O-N 3.4Å; Y152-S156 PolarHBondContact O-OG 3.31Å; Y152-P179 HydrophobicContact CD1-CB 3.61Å; Y152-P179 HydrophobicContact CD2-CB 4.13Å; Y152-P179 VanDerWaalsContact CD2-O 3.25Å; Y152-P179 WeakPolarHBondContact CD2-O 3.4Å; Y152-P179 HydrophobicContact CE1-CB 4.15Å; Y152-P179 VanDerWaalsContact CE2-O 3.3Å; Y152-P179 WeakPolarHBondContact CE2-O 3.38Å; Y152-P179 HydrophobicContact CG-CB 3.56Å; Y152-F182 HydrophobicContact CE2-CB 3.94Å; Y152-L183 HydrophobicContact CD2-CD2 3.76Å; Y152-L183 HydrophobicContact CD2-CG 4.24Å; Y152-L183 HydrophobicContact CE2-CD2 4.31Å; Y152-E186 WeakPolarHBondContact CE2-OE2 3.5Å; Y152-E186 VanDerWaalsContact CZ-OE2 3.29Å; Y152-E186 VanDerWaalsContact OH-CD 3.31Å; Y152-E186 PolarHBondContact OH-OE1 3.49Å; Y152-E186 PolarHBondContact OH-OE2 3.04Å
153	E	96.5	Very high	96.1	Very high	119 Å²	119	38 Å²	38	56%	0.556	18%	0.183	S	C	*	.	H	α-helix	trans	-63.4	-48.2	176.9	-67.6	-171.8	166.8	0	0	111.6	E149 S150 L151 L155 S156 Y157	E149-E153 PolarHBondContact O-N 3.3Å; S150-E153 PolarHBondContact O-N 3.01Å; L151-E153 VanDerWaalsContact C-N 3.29Å; L151-E153 PolarHBondContact O-N 3.17Å; E153-L155 PolarHBondContact O-N 2.75Å; E153-S156 PolarHBondContact O-N 3.46Å; E153-Y157 VanDerWaalsContact O-CB 3.3Å; E153-Y157 WeakPolarHBondContact O-CB 3.37Å; E153-Y157 PolarHBondContact O-N 2.74Å
154	I	96.5	Very high	96.2	Very high	10 Å²	10	38 Å²	38	5%	0.051	18%	0.183	C	C	.	.	H	α-helix	trans	-59.3	-49.7	177.8	-64.9	163.6	0	0	0	110.5	I121 E125 F128 S150 L151 S156 Y157 Y158	I121-I154 HydrophobicContact CG2-CD1 3.96Å; E125-I154 HydrophobicContact CB-CD1 3.87Å; E125-I154 HydrophobicContact CB-CG1 4.18Å; E125-I154 HydrophobicContact CG-CD1 4.27Å; E125-I154 HydrophobicContact CG-CG1 4.01Å; E125-I154 HydrophobicContact CG-CG2 4.27Å; F128-I154 HydrophobicContact CB-CG2 4Å; F128-I154 HydrophobicContact CD2-CG2 3.83Å; F128-I154 HydrophobicContact CG-CG2 4.42Å; S150-I154 WeakPolarHBondContact O-CD1 3.31Å; S150-I154 VanDerWaalsContact O-CG1 3.23Å; S150-I154 WeakPolarHBondContact O-CG1 3.36Å; S150-I154 PolarHBondContact O-N 3.48Å; L151-I154 PolarHBondContact O-N 3.08Å; I154-S156 VanDerWaalsContact C-N 3.33Å; I154-S156 PolarHBondContact O-N 3.42Å; I154-Y157 PolarHBondContact O-N 3.45Å; I154-Y158 HydrophobicContact CG2-CD2 3.85Å; I154-Y158 HydrophobicContact CG2-CE2 4.33Å; I154-Y158 WeakPolarHBondContact O-CD2 3.13Å; I154-Y158 PolarHBondContact O-N 2.83Å
155	L	96.5	Very high	96.3	Very high	4 Å²	4	35.7 Å²	35.7	2%	0.021	17%	0.171	C	C	.	.	H	α-helix	trans	-63.7	-38.7	-179.3	-66.2	-177.1	0	0	0	112.2	L136 L151 E153 E159 T160 L164 L183	L136-L155 HydrophobicContact CD2-CD2 3.76Å; L151-L155 HydrophobicContact CD1-CD1 4.17Å; L151-L155 HydrophobicContact CD1-CD2 4.19Å; L151-L155 HydrophobicContact CD1-CG 3.97Å; L151-L155 HydrophobicContact CD2-CD1 4.26Å; L151-L155 HydrophobicContact CG-CD1 3.82Å; L151-L155 HydrophobicContact CG-CG 4Å; L151-L155 WeakPolarHBondContact O-CB 3.46Å; L151-L155 WeakPolarHBondContact O-CG 3.28Å; L151-L155 PolarHBondContact O-N 3.12Å; E153-L155 PolarHBondContact O-N 2.75Å; L155-E159 WeakPolarHBondContact O-CA 3.41Å; L155-E159 PolarHBondContact O-N 2.91Å; L155-T160 VanDerWaalsContact CD2-CB 3.49Å; L155-T160 HydrophobicContact CD2-CG2 4.08Å; L155-L164 HydrophobicContact CD1-CD1 3.85Å; L155-L164 HydrophobicContact CD1-CD2 3.45Å; L155-L164 VanDerWaalsContact CD1-CD2 3.45Å; L155-L164 HydrophobicContact CD1-CG 4.25Å; L155-L183 HydrophobicContact CB-CD2 4.24Å; L155-L183 HydrophobicContact CD1-CD1 4.48Å
156	S	94	Very high	96.3	Very high	24 Å²	24	33 Å²	33	17%	0.168	16%	0.157	C	C	.	.	H	α-helix	trans	-73.2	-37.3	-179.3	-58.7	0	0	0	0	112	Y152 E153 I154	Y152-S156 WeakPolarHBondContact CD2-OG 3.2Å; Y152-S156 VanDerWaalsContact CE2-OG 3.26Å; Y152-S156 WeakPolarHBondContact CE2-OG 3.36Å; Y152-S156 WeakPolarHBondContact O-CB 3.41Å; Y152-S156 PolarHBondContact O-N 3.4Å; Y152-S156 PolarHBondContact O-OG 3.31Å; E153-S156 PolarHBondContact O-N 3.46Å; I154-S156 VanDerWaalsContact C-N 3.33Å; I154-S156 PolarHBondContact O-N 3.42Å
157	Y	94.3	Very high	96.4	Very high	123 Å²	123	26.7 Å²	26.7	48%	0.482	13%	0.127	S	C	.	.	H	α-helix	trans	-76.9	-51.2	-179.2	-176.2	-105.9	0	0	0	112	P59 E153 I154	P59-Y157 HydrophobicContact CB-CE1 3.97Å; P59-Y157 WeakPolarHBondContact CG-O 3.45Å; E153-Y157 VanDerWaalsContact O-CB 3.3Å; E153-Y157 WeakPolarHBondContact O-CB 3.37Å; E153-Y157 PolarHBondContact O-N 2.74Å; I154-Y157 PolarHBondContact O-N 3.45Å
158	Y	94	Very high	96.4	Very high	16 Å²	16	30.9 Å²	30.9	6%	0.063	14%	0.143	C	C	.	.	H	α-helix	trans	-86.4	-8.9	-176.7	-61.4	-72.7	0	0	0	113	P59 W60 E125 K129 I154 T160	P59-Y158 HydrophobicContact CB-CD1 3.87Å; P59-Y158 HydrophobicContact CB-CE1 4.21Å; P59-Y158 HydrophobicContact CG-CD1 4.33Å; W60-Y158 WeakPolarHBondContact CZ2-O 3.47Å; W60-Y158 PolarHBondContact NE1-O 2.86Å; E125-Y158 HydrophobicContact CG-CD2 4.48Å; E125-Y158 HydrophobicContact CG-CE2 3.59Å; E125-Y158 VanDerWaalsContact OE1-CE2 3.29Å; E125-Y158 WeakPolarHBondContact OE1-CE2 3.3Å; E125-Y158 PolarHBondContact OE1-OH 3.31Å; K129-Y158 HydrophobicContact CB-CD1 4.22Å; K129-Y158 HydrophobicContact CB-CE1 3.72Å; K129-Y158 HydrophobicContact CD-CE1 4.19Å; K129-Y158 HydrophobicContact CG-CD1 4.38Å; K129-Y158 HydrophobicContact CG-CE1 3.65Å; I154-Y158 HydrophobicContact CG2-CD2 3.85Å; I154-Y158 HydrophobicContact CG2-CE2 4.33Å; I154-Y158 WeakPolarHBondContact O-CD2 3.13Å; I154-Y158 PolarHBondContact O-N 2.83Å; Y158-T160 PolarHBondContact O-N 2.89Å
159	E	92.8	Very high	96.4	Very high	51 Å²	51	30.9 Å²	30.9	24%	0.238	14%	0.143	C	C	.	.			trans	52.6	43.2	-172.4	-55.9	-173.9	-179.9	0	0	111.6	R105 Q132 L155 C161 P188 Y189	R105-E159 VanDerWaalsContact CZ-O 3.31Å; R105-E159 PolarHBondContact NH1-O 3.3Å; R105-E159 PolarHBondContact NH2-O 2.97Å; Q132-E159 PolarHBondContact NE2-O 2.94Å; L155-E159 WeakPolarHBondContact O-CA 3.41Å; L155-E159 PolarHBondContact O-N 2.91Å; E159-C161 VanDerWaalsContact C-N 3.29Å; E159-C161 PolarHBondContact O-N 3.02Å; E159-P188 WeakPolarHBondContact OE1-CD 3.33Å; E159-Y189 WeakPolarHBondContact OE2-CD2 3.19Å; E159-Y189 WeakPolarHBondContact OE2-CE2 3.38Å
160	T	95.2	Very high	96.3	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.15	C	C	.	.			trans	-55.9	-39	-166.5	-52.4	0	0	0	0	113.2	R105 F128 Q132 F133 L155 Y158	R105-T160 PolarHBondContact NH1-O 2.79Å; F128-T160 HydrophobicContact CB-CG2 3.64Å; F128-T160 HydrophobicContact CD1-CG2 3.39Å; F128-T160 HydrophobicContact CD2-CG2 4Å; F128-T160 HydrophobicContact CE1-CG2 4Å; F128-T160 HydrophobicContact CG-CG2 3.4Å; F128-T160 VanDerWaalsContact CG-CG2 3.4Å; Q132-T160 CarbonylContact C-O 3.55Å; Q132-T160 WeakPolarHBondContact CA-O 3.33Å; F133-T160 HydrophobicContact CD2-CG2 4.3Å; F133-T160 PolarHBondContact N-O 3.16Å; L155-T160 VanDerWaalsContact CD2-CB 3.49Å; L155-T160 HydrophobicContact CD2-CG2 4.08Å; Y158-T160 PolarHBondContact O-N 2.89Å
161	C	95.6	Very high	96.3	Very high	3 Å²	3	34.5 Å²	34.5	2%	0.02	17%	0.165	C	C	.	.			trans	-137.6	160.2	-177.9	65.9	0	0	0	0	114.3	F133 L136 E159 G163	F133-C161 VanDerWaalsContact O-CA 3.28Å; F133-C161 WeakPolarHBondContact O-CA 3.47Å; L136-C161 HydrophobicContact CB-CB 3.9Å; E159-C161 VanDerWaalsContact C-N 3.29Å; E159-C161 PolarHBondContact O-N 3.02Å; C161-G163 PolarHBondContact SG-O 2.95Å
162	T	93.8	Very high	96.3	Very high	9 Å²	9	34.7 Å²	34.7	6%	0.055	17%	0.166	C	C	.	.	S	Bend	trans	-97	-29.5	168.8	65.6	0	0	0	0	111.1	Q134 Y189 M190 E191 W192	Q134-T162 PolarHBondContact O-N 3.37Å; Q134-T162 PolarHBondContact O-OG1 3.43Å; T162-Y189 WeakPolarHBondContact CA-O 3.49Å; T162-Y189 WeakPolarHBondContact CB-O 3.48Å; T162-Y189 WeakPolarHBondContact CG2-O 3.29Å; T162-M190 CarbonylContact O-C 3.38Å; T162-E191 PolarHBondContact O-N 3.35Å; T162-E191 PolarHBondContact OG1-OE2 2.94Å; T162-W192 PolarHBondContact O-N 3.02Å
163	G	96.2	Very high	96.3	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.01	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	130.1	173.7	0	0	0	0	0	112	Q134 H135 L136 C161 W192	Q134-G163 PolarHBondContact O-N 3.41Å; H135-G163 CarbonylContact C-O 3.56Å; H135-G163 WeakPolarHBondContact CA-O 3.4Å; L136-G163 PolarHBondContact N-O 3.24Å; C161-G163 PolarHBondContact SG-O 2.95Å; G163-W192 CarbonylContact C-O 3.31Å; G163-W192 VanDerWaalsContact CA-O 3.29Å; G163-W192 WeakPolarHBondContact CA-O 3.34Å
164	L	98.2	Very high	96.3	Very high	1 Å²	1	32 Å²	32	1%	0.005	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	132.6	178.9	-175.8	65.5	0	0	0	110.8	L136 L155 L166 L183 M190 W192 L193 D194	L136-L164 HydrophobicContact CB-CD1 3.99Å; L136-L164 HydrophobicContact CD2-CD1 3.76Å; L136-L164 HydrophobicContact CG-CD1 3.86Å; L155-L164 HydrophobicContact CD1-CD1 3.85Å; L155-L164 HydrophobicContact CD1-CD2 3.45Å; L155-L164 VanDerWaalsContact CD1-CD2 3.45Å; L155-L164 HydrophobicContact CD1-CG 4.25Å; L164-L166 HydrophobicContact CD1-CD2 3.9Å; L164-L166 HydrophobicContact CD1-CG 4.31Å; L164-L166 HydrophobicContact CD2-CD1 3.76Å; L164-L166 HydrophobicContact CD2-CD2 4.21Å; L164-L166 HydrophobicContact CD2-CG 3.87Å; L164-L166 HydrophobicContact CG-CD1 4.33Å; L164-L166 HydrophobicContact CG-CD2 4.02Å; L164-L166 HydrophobicContact CG-CG 3.86Å; L164-L183 HydrophobicContact CD2-CD1 3.63Å; L164-M190 HydrophobicContact CB-CE 3.43Å; L164-M190 VanDerWaalsContact CB-CE 3.43Å; L164-M190 HydrophobicContact CD2-CE 4.37Å; L164-W192 PolarHBondContact N-O 2.98Å; L164-L193 HydrophobicContact CB-CD1 4.17Å; L164-L193 HydrophobicContact CD2-CD1 4.11Å; L164-L193 HydrophobicContact CG-CD1 4.41Å; L164-L193 WeakPolarHBondContact O-CA 3.17Å; L164-D194 PolarHBondContact O-N 3.02Å
165	C	98.6	Very high	96.4	Very high	13 Å²	13	35.7 Å²	35.7	9%	0.088	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	113.5	171.6	176.5	0	0	0	0	110.3	L136 N137 L138 D194	L136-C165 PolarHBondContact O-N 3.1Å; N137-C165 HydrophobicContact CB-CB 4.47Å; N137-C165 PolarHBondContact OD1-SG 3.04Å; N137-C165 VanDerWaalsContact OD1-SG 3.42Å; L138-C165 CarbonylContact C-O 3.32Å; L138-C165 WeakPolarHBondContact CA-O 3.4Å; L138-C165 PolarHBondContact N-O 2.98Å; C165-D194 HydrophobicContact CB-CB 3.99Å
166	L	98.5	Very high	96.4	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.005	19%	0.19	C	C	.	.			trans	-116.9	23.2	175.1	-52.2	178.5	0	0	0	111.4	L138 L143 L151 L164 N169 W177 V180 D194 L195 N198	L138-L166 HydrophobicContact CB-CD2 3.9Å; L138-L166 HydrophobicContact CD1-CD2 3.92Å; L138-L166 HydrophobicContact CG-CD2 4.46Å; L143-L166 HydrophobicContact CD1-CD2 4.07Å; L151-L166 HydrophobicContact CD2-CD1 4.4Å; L151-L166 HydrophobicContact CD2-CD2 3.65Å; L164-L166 HydrophobicContact CD1-CD2 3.9Å; L164-L166 HydrophobicContact CD1-CG 4.31Å; L164-L166 HydrophobicContact CD2-CD1 3.76Å; L164-L166 HydrophobicContact CD2-CD2 4.21Å; L164-L166 HydrophobicContact CD2-CG 3.87Å; L164-L166 HydrophobicContact CG-CD1 4.33Å; L164-L166 HydrophobicContact CG-CD2 4.02Å; L164-L166 HydrophobicContact CG-CG 3.86Å; L166-N169 PolarHBondContact O-ND2 3.47Å; L166-W177 HydrophobicContact CB-CH2 3.9Å; L166-W177 HydrophobicContact CB-CZ3 3.8Å; L166-W177 HydrophobicContact CD1-CZ3 3.74Å; L166-W177 HydrophobicContact CG-CZ3 4.41Å; L166-V180 HydrophobicContact CD1-CG1 4.35Å; L166-V180 HydrophobicContact CD1-CG2 3.92Å; L166-D194 PolarHBondContact N-O 3.4Å; L166-L195 HydrophobicContact CB-CD2 3.87Å; L166-L195 HydrophobicContact CD1-CD2 4.25Å; L166-L195 HydrophobicContact CG-CD2 4.37Å; L166-N198 PolarHBondContact O-ND2 3.17Å
167	A	98.5	Very high	96.6	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.182	C	C	.	.			trans	-55.3	149.3	-178.2	0	0	0	0	0	112.8	E139 N140 N169 R196	E139-A167 CarbonylContact C-O 3.56Å; E139-A167 VanDerWaalsContact CA-O 3.24Å; E139-A167 WeakPolarHBondContact CA-O 3.36Å; E139-A167 HydrophobicContact CB-CB 4.3Å; E139-A167 HydrophobicContact CG-CB 3.98Å; N140-A167 PolarHBondContact N-O 3.05Å; A167-N169 PolarHBondContact O-N 2.94Å; A167-N169 PolarHBondContact O-ND2 3.48Å; A167-R196 VanDerWaalsContact CA-O 3.23Å; A167-R196 WeakPolarHBondContact CA-O 3.46Å; A167-R196 HydrophobicContact CB-CG 3.53Å; A167-R196 WeakPolarHBondContact CB-O 3.38Å
168	R	98	Very high	96.8	Very high	91 Å²	91	30.7 Å²	30.7	34%	0.343	17%	0.168	S	C	.	.	S	Bend	trans	55.1	49.8	172.5	-59.9	174.3	165	113.7	5.6	114.2	E139 N140 P170 R196 E197 N198	E139-R168 IonicContact OE1-CZ 3.98Å; E139-R168 IonicContact OE1-NH1 3.61Å; E139-R168 PolarHBondContact OE1-NH1 3.38Å; N140-R168 VanDerWaalsContact CA-O 3.24Å; N140-R168 WeakPolarHBondContact CA-O 3.28Å; N140-R168 HydrophobicContact CB-CB 4.15Å; R168-P170 VanDerWaalsContact O-CD 3.28Å; R168-P170 WeakPolarHBondContact O-CD 3.34Å; R168-R196 PolarHBondContact N-O 3.28Å; R168-E197 HydrophobicContact CG-CB 3.61Å; R168-E197 HydrophobicContact CG-CG 4.26Å; R168-E197 IonicContact CZ-OE1 2.98Å; R168-E197 IonicContact CZ-OE2 3.07Å; R168-E197 IonicContact NE-OE1 2.72Å; R168-E197 PolarHBondContact NE-OE1 3.13Å; R168-E197 VanDerWaalsContact NE-OE1 3.07Å; R168-E197 IonicContact NE-OE2 2.68Å; R168-E197 PolarHBondContact NE-OE2 2.76Å; R168-E197 IonicContact NH1-OE1 2.78Å; R168-E197 IonicContact NH2-OE1 3.51Å; R168-E197 PolarHBondContact NH2-OE1 3.36Å; R168-E197 IonicContact NH2-OE2 3.72Å; R168-E197 PolarHBondContact NH2-OE2 3.43Å; R168-N198 PolarHBondContact N-OD1 3.25Å
169	N	97.6	Very high	97	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.172	C	C	.	.			trans	-111.8	83.7	171.9	-76.5	-69.2	0	0	0	109.7	L138 T141 N142 L143 L166 A167 H171 V172 W177 N198	L138-N169 PolarHBondContact O-ND2 3.35Å; L138-N169 VanDerWaalsContact O-ND2 3.08Å; T141-N169 PolarHBondContact N-OD1 3.15Å; T141-N169 PolarHBondContact OG1-OD1 3.32Å; N142-N169 PolarHBondContact N-OD1 3.28Å; L143-N169 HydrophobicContact CB-CB 4.19Å; L143-N169 PolarHBondContact N-OD1 3.43Å; L166-N169 PolarHBondContact O-ND2 3.47Å; A167-N169 PolarHBondContact O-N 2.94Å; A167-N169 PolarHBondContact O-ND2 3.48Å; N169-H171 VanDerWaalsContact C-N 3.26Å; N169-H171 PolarHBondContact O-N 3.06Å; N169-V172 HydrophobicContact CB-CG2 3.98Å; N169-V172 PolarHBondContact O-N 3.43Å; N169-W177 HydrophobicContact CB-CH2 4.11Å; N169-W177 HydrophobicContact CB-CZ2 4.15Å; N169-N198 PolarHBondContact N-OD1 3Å
170	P	95.9	Very high	97.3	Very high	99 Å²	99	28.7 Å²	28.7	64%	0.643	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71	-16.8	-167	29.1	-37	0	0	0	114.4	R168 V172	R168-P170 VanDerWaalsContact O-CD 3.28Å; R168-P170 WeakPolarHBondContact O-CD 3.34Å; P170-V172 VanDerWaalsContact C-N 3.31Å
171	H	96.1	Very high	97.4	Very high	115 Å²	115	28.7 Å²	28.7	53%	0.532	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-11.3	178.9	-63.2	-65.4	0	0	0	113.2	N142 L143 N169 T173	N142-H171 PolarHBondContact OD1-CD2 3.38Å; N142-H171 PolarHBondContact OD1-NE2 3.25Å; L143-H171 WeakPolarHBondContact O-CB 3.44Å; N169-H171 VanDerWaalsContact C-N 3.26Å; N169-H171 PolarHBondContact O-N 3.06Å; H171-T173 PolarHBondContact O-N 2.93Å
172	V	97.9	Very high	97.4	Very high	6 Å²	6	30.7 Å²	30.7	4%	0.036	17%	0.17	C	C	.	.	S	Bend	trans	-81.3	117.8	172.8	-169.1	0	0	0	0	109.3	L143 V148 N169 P170 W177	L143-V172 HydrophobicContact CB-CG2 4.05Å; L143-V172 WeakPolarHBondContact O-CG2 3.19Å; V148-V172 HydrophobicContact CG2-CG1 4.02Å; V148-V172 HydrophobicContact CG2-CG2 3.65Å; N169-V172 HydrophobicContact CB-CG2 3.98Å; N169-V172 PolarHBondContact O-N 3.43Å; P170-V172 VanDerWaalsContact C-N 3.31Å; V172-W177 HydrophobicContact CB-CD2 4.27Å; V172-W177 VanDerWaalsContact CB-CE2 3.49Å; V172-W177 HydrophobicContact CB-CH2 4.18Å; V172-W177 HydrophobicContact CB-CZ2 3.45Å; V172-W177 VanDerWaalsContact CB-CZ2 3.45Å; V172-W177 HydrophobicContact CG1-CD2 3.66Å; V172-W177 VanDerWaalsContact CG1-CE2 3.4Å; V172-W177 HydrophobicContact CG1-CE3 4.22Å; V172-W177 HydrophobicContact CG1-CG 3.95Å; V172-W177 HydrophobicContact CG1-CH2 4.33Å; V172-W177 HydrophobicContact CG1-CZ2 3.79Å; V172-W177 HydrophobicContact CG2-CH2 3.97Å; V172-W177 HydrophobicContact CG2-CZ2 3.68Å; V172-W177 PolarHBondContact O-NE1 2.73Å
173	T	97.6	Very high	97.4	Very high	60 Å²	60	30.4 Å²	30.4	37%	0.368	17%	0.168	S	C	.	.			trans	-70.1	162.2	175.3	64.4	0	0	0	0	111.5	N145 H171 T175 G176 W177	N145-T173 VanDerWaalsContact CG-OG1 3.23Å; N145-T173 PolarHBondContact ND2-OG1 2.91Å; N145-T173 PolarHBondContact OD1-N 3.33Å; N145-T173 PolarHBondContact OD1-OG1 2.79Å; H171-T173 PolarHBondContact O-N 2.93Å; T173-T175 PolarHBondContact O-N 3.1Å; T173-T175 VanDerWaalsContact O-N 3.11Å; T173-T175 PolarHBondContact OG1-OG1 3.06Å; T173-G176 WeakPolarHBondContact O-CA 3.35Å; T173-G176 PolarHBondContact O-N 3.13Å; T173-G176 PolarHBondContact OG1-N 2.87Å; T173-W177 PolarHBondContact O-N 3.19Å
174	S	96.9	Very high	97.1	Very high	46 Å²	46	30.4 Å²	30.4	32%	0.322	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-30.4	174.9	61.7	0	0	0	0	114.3	N199	S174-N199 VanDerWaalsContact CA-O 3.25Å; S174-N199 WeakPolarHBondContact CA-O 3.27Å
175	T	97.4	Very high	96.7	Very high	87 Å²	87	35.4 Å²	35.4	53%	0.534	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-33.8	173.6	46.2	0	0	0	0	112.7	T173 W177 I178	T173-T175 PolarHBondContact O-N 3.1Å; T173-T175 VanDerWaalsContact O-N 3.11Å; T173-T175 PolarHBondContact OG1-OG1 3.06Å; T175-W177 PolarHBondContact O-N 3.28Å; T175-I178 HydrophobicContact CG2-CD1 4.41Å; T175-I178 WeakPolarHBondContact O-CB 3.37Å; T175-I178 WeakPolarHBondContact O-CG1 3.33Å; T175-I178 PolarHBondContact O-N 3.34Å; T175-I178 VanDerWaalsContact O-N 3.15Å
176	G	97.9	Very high	96.2	Very high	7 Å²	7	37.9 Å²	37.9	7%	0.072	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-22.5	177	0	0	0	0	0	113.7	N145 V148 T173 I178 P179	N145-G176 WeakPolarHBondContact OD1-CA 3.43Å; V148-G176 WeakPolarHBondContact CG1-O 3.36Å; T173-G176 WeakPolarHBondContact O-CA 3.35Å; T173-G176 PolarHBondContact O-N 3.13Å; T173-G176 PolarHBondContact OG1-N 2.87Å; G176-I178 VanDerWaalsContact C-N 3.35Å; G176-P179 VanDerWaalsContact O-CD 3.32Å; G176-P179 WeakPolarHBondContact O-CD 3.44Å
177	W	98.3	Very high	95.8	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-16.9	175.4	-68.7	112.8	0	0	0	114.2	V148 L166 N169 V172 T173 T175 P179 V180 L195 N198 N199 L200 F204	V148-W177 HydrophobicContact CG1-CE3 4.44Å; V148-W177 HydrophobicContact CG2-CZ3 4.24Å; L166-W177 HydrophobicContact CB-CH2 3.9Å; L166-W177 HydrophobicContact CB-CZ3 3.8Å; L166-W177 HydrophobicContact CD1-CZ3 3.74Å; L166-W177 HydrophobicContact CG-CZ3 4.41Å; N169-W177 HydrophobicContact CB-CH2 4.11Å; N169-W177 HydrophobicContact CB-CZ2 4.15Å; V172-W177 HydrophobicContact CB-CD2 4.27Å; V172-W177 VanDerWaalsContact CB-CE2 3.49Å; V172-W177 HydrophobicContact CB-CH2 4.18Å; V172-W177 HydrophobicContact CB-CZ2 3.45Å; V172-W177 VanDerWaalsContact CB-CZ2 3.45Å; V172-W177 HydrophobicContact CG1-CD2 3.66Å; V172-W177 VanDerWaalsContact CG1-CE2 3.4Å; V172-W177 HydrophobicContact CG1-CE3 4.22Å; V172-W177 HydrophobicContact CG1-CG 3.95Å; V172-W177 HydrophobicContact CG1-CH2 4.33Å; V172-W177 HydrophobicContact CG1-CZ2 3.79Å; V172-W177 HydrophobicContact CG2-CH2 3.97Å; V172-W177 HydrophobicContact CG2-CZ2 3.68Å; V172-W177 PolarHBondContact O-NE1 2.73Å; T173-W177 PolarHBondContact O-N 3.19Å; T175-W177 PolarHBondContact O-N 3.28Å; W177-P179 VanDerWaalsContact C-CD 3.47Å; W177-V180 HydrophobicContact CE3-CG2 4.11Å; W177-V180 HydrophobicContact CZ3-CG2 4.45Å; W177-V180 WeakPolarHBondContact O-CB 3.16Å; W177-V180 PolarHBondContact O-N 2.84Å; W177-L195 HydrophobicContact CE3-CD2 4.13Å; W177-L195 HydrophobicContact CZ3-CD2 3.88Å; W177-N198 HydrophobicContact CZ2-CB 3.79Å; W177-N198 WeakPolarHBondContact CZ2-ND2 3.29Å; W177-N198 WeakPolarHBondContact CZ2-OD1 3.32Å; W177-N199 VanDerWaalsContact CD1-O 3.3Å; W177-L200 HydrophobicContact CB-CD2 4.15Å; W177-L200 HydrophobicContact CD2-CD2 4.03Å; W177-L200 HydrophobicContact CG-CD2 3.76Å; W177-F204 HydrophobicContact CB-CD2 3.82Å; W177-F204 HydrophobicContact CB-CE2 4.29Å; W177-F204 HydrophobicContact CB-CG 4.44Å; W177-F204 WeakPolarHBondContact O-CD2 3.38Å; W177-F204 WeakPolarHBondContact O-CE2 3.42Å
178	I	98.4	Very high	95.1	Very high	38 Å²	38	39.2 Å²	39.2	20%	0.195	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-52.9	-45.2	-174.1	-69.7	170.2	0	0	0	113.5	T175 G176 V180 A181 F182 T203 I207	T175-I178 HydrophobicContact CG2-CD1 4.41Å; T175-I178 WeakPolarHBondContact O-CB 3.37Å; T175-I178 WeakPolarHBondContact O-CG1 3.33Å; T175-I178 PolarHBondContact O-N 3.34Å; T175-I178 VanDerWaalsContact O-N 3.15Å; G176-I178 VanDerWaalsContact C-N 3.35Å; I178-V180 VanDerWaalsContact C-N 3.26Å; I178-V180 PolarHBondContact O-N 2.8Å; I178-A181 VanDerWaalsContact O-CB 3.29Å; I178-A181 WeakPolarHBondContact O-CB 3.16Å; I178-A181 PolarHBondContact O-N 2.93Å; I178-A181 VanDerWaalsContact O-N 3.1Å; I178-F182 HydrophobicContact CG2-CE2 4.02Å; I178-F182 WeakPolarHBondContact O-CD2 3.43Å; I178-T203 HydrophobicContact CD1-CG2 3.71Å; I178-T203 HydrophobicContact CG1-CG2 4.25Å; I178-I207 HydrophobicContact CG2-CD1 3.65Å
179	P	98.2	Very high	94.5	Very high	22 Å²	22	38.6 Å²	38.6	14%	0.143	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-54.4	-41.5	177.6	-26.7	36.2	0	0	0	113.1	Y152 G176 W177 A181 F182	Y152-P179 HydrophobicContact CD1-CB 3.61Å; Y152-P179 HydrophobicContact CD2-CB 4.13Å; Y152-P179 VanDerWaalsContact CD2-O 3.25Å; Y152-P179 WeakPolarHBondContact CD2-O 3.4Å; Y152-P179 HydrophobicContact CE1-CB 4.15Å; Y152-P179 VanDerWaalsContact CE2-O 3.3Å; Y152-P179 WeakPolarHBondContact CE2-O 3.38Å; Y152-P179 HydrophobicContact CG-CB 3.56Å; G176-P179 VanDerWaalsContact O-CD 3.32Å; G176-P179 WeakPolarHBondContact O-CD 3.44Å; W177-P179 VanDerWaalsContact C-CD 3.47Å; P179-A181 PolarHBondContact O-N 2.83Å; P179-A181 VanDerWaalsContact O-N 3.16Å; P179-F182 WeakPolarHBondContact O-CB 3.21Å; P179-F182 WeakPolarHBondContact O-CD2 3.24Å; P179-F182 PolarHBondContact O-N 2.82Å
180	V	98.3	Very high	94.2	Very high	3 Å²	3	38.7 Å²	38.7	2%	0.018	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-61.6	-28.2	-179.2	178.9	0	0	0	0	112.4	V148 L166 W177 I178 F182 L183 L193 L195 F204	V148-V180 HydrophobicContact CG1-CG2 3.51Å; L166-V180 HydrophobicContact CD1-CG1 4.35Å; L166-V180 HydrophobicContact CD1-CG2 3.92Å; W177-V180 HydrophobicContact CE3-CG2 4.11Å; W177-V180 HydrophobicContact CZ3-CG2 4.45Å; W177-V180 WeakPolarHBondContact O-CB 3.16Å; W177-V180 PolarHBondContact O-N 2.84Å; I178-V180 VanDerWaalsContact C-N 3.26Å; I178-V180 PolarHBondContact O-N 2.8Å; V180-F182 PolarHBondContact O-N 3.25Å; V180-F182 VanDerWaalsContact O-N 3.11Å; V180-L183 HydrophobicContact CB-CD1 4.47Å; V180-L183 HydrophobicContact CG1-CD1 3.85Å; V180-L183 WeakPolarHBondContact O-CG 3.42Å; V180-L183 PolarHBondContact O-N 3.19Å; V180-L183 VanDerWaalsContact O-N 3.16Å; V180-L193 HydrophobicContact CG1-CD1 3.97Å; V180-L193 HydrophobicContact CG1-CD2 4.07Å; V180-L195 HydrophobicContact CG1-CD1 4.12Å; V180-L195 HydrophobicContact CG1-CD2 4.11Å; V180-F204 HydrophobicContact CB-CE2 4.31Å
181	A	97.3	Very high	94.1	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-63.2	-17.3	177.1	0	0	0	0	0	113.5	I178 P179 F204 I207 L208 C211	I178-A181 VanDerWaalsContact O-CB 3.29Å; I178-A181 WeakPolarHBondContact O-CB 3.16Å; I178-A181 PolarHBondContact O-N 2.93Å; I178-A181 VanDerWaalsContact O-N 3.1Å; P179-A181 PolarHBondContact O-N 2.83Å; P179-A181 VanDerWaalsContact O-N 3.16Å; A181-F204 HydrophobicContact CB-CD2 3.67Å; A181-F204 HydrophobicContact CB-CE2 3.63Å; A181-F204 HydrophobicContact CB-CG 4.38Å; A181-F204 HydrophobicContact CB-CZ 4.31Å; A181-I207 HydrophobicContact CB-CB 3.99Å; A181-I207 HydrophobicContact CB-CG2 3.61Å; A181-L208 HydrophobicContact CB-CB 4.08Å; A181-C211 WeakPolarHBondContact O-CB 3.45Å; A181-C211 PolarHBondContact O-SG 3.05Å
182	F	95.9	Very high	94	Very high	46 Å²	46	33.1 Å²	33.1	20%	0.202	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-89	-13.6	179.1	-62.5	-73.1	0	0	0	113.9	Y152 I178 P179 V180 F184 R185 E186 I207 C211	Y152-F182 HydrophobicContact CE2-CB 3.94Å; I178-F182 HydrophobicContact CG2-CE2 4.02Å; I178-F182 WeakPolarHBondContact O-CD2 3.43Å; P179-F182 WeakPolarHBondContact O-CB 3.21Å; P179-F182 WeakPolarHBondContact O-CD2 3.24Å; P179-F182 PolarHBondContact O-N 2.82Å; V180-F182 PolarHBondContact O-N 3.25Å; V180-F182 VanDerWaalsContact O-N 3.11Å; F182-F184 PolarHBondContact O-N 3Å; F182-R185 VanDerWaalsContact CD1-CZ 3.4Å; F182-R185 WeakPolarHBondContact O-CA 3.36Å; F182-R185 WeakPolarHBondContact O-CB 3.31Å; F182-R185 PolarHBondContact O-N 3.3Å; F182-E186 HydrophobicContact CB-CG 4.47Å; F182-E186 PolarHBondContact O-N 3.13Å; F182-I207 HydrophobicContact CD1-CG2 3.94Å; F182-I207 HydrophobicContact CD2-CG2 4.42Å; F182-I207 HydrophobicContact CE1-CG2 3.46Å; F182-I207 VanDerWaalsContact CE1-CG2 3.46Å; F182-I207 HydrophobicContact CE2-CG2 3.98Å; F182-I207 HydrophobicContact CG-CG2 4.42Å; F182-I207 HydrophobicContact CZ-CD1 4.15Å; F182-I207 HydrophobicContact CZ-CG2 3.49Å; F182-I207 VanDerWaalsContact CZ-CG2 3.49Å; F182-C211 VanDerWaalsContact CD1-SG 3.56Å
183	L	94.6	Very high	94	Very high	2 Å²	2	32.8 Å²	32.8	1%	0.01	17%	0.166	C	C	.	.	H	α-helix	trans	-56.8	-44.6	-174.2	-70.6	176	0	0	0	113.2	Y152 L155 L164 V180 R185 E186 V187 M190	Y152-L183 HydrophobicContact CD2-CD2 3.76Å; Y152-L183 HydrophobicContact CD2-CG 4.24Å; Y152-L183 HydrophobicContact CE2-CD2 4.31Å; L155-L183 HydrophobicContact CB-CD2 4.24Å; L155-L183 HydrophobicContact CD1-CD1 4.48Å; L164-L183 HydrophobicContact CD2-CD1 3.63Å; V180-L183 HydrophobicContact CB-CD1 4.47Å; V180-L183 HydrophobicContact CG1-CD1 3.85Å; V180-L183 WeakPolarHBondContact O-CG 3.42Å; V180-L183 PolarHBondContact O-N 3.19Å; V180-L183 VanDerWaalsContact O-N 3.16Å; L183-R185 PolarHBondContact O-N 3.23Å; L183-R185 VanDerWaalsContact O-N 3.1Å; L183-E186 PolarHBondContact O-N 2.94Å; L183-E186 VanDerWaalsContact O-N 3.12Å; L183-V187 HydrophobicContact CD2-CG2 3.92Å; L183-V187 WeakPolarHBondContact O-CB 3.47Å; L183-V187 PolarHBondContact O-N 3.14Å; L183-M190 HydrophobicContact CD1-CE 4.21Å
184	F	90.2	Very high	94	Very high	2 Å²	2	30.3 Å²	30.3	1%	0.009	15%	0.151	C	C	.	.	H	α-helix	trans	-62.6	-20.5	178	-83	-66.2	0	0	0	114.5	F182 M190 L193 L208 L212 R270 L272	F182-F184 PolarHBondContact O-N 3Å; F184-M190 HydrophobicContact CD1-CB 4.03Å; F184-M190 HydrophobicContact CD1-CG 3.92Å; F184-M190 HydrophobicContact CE1-CB 4.32Å; F184-M190 HydrophobicContact CE1-CG 3.92Å; F184-M190 WeakPolarHBondContact CE1-O 3.31Å; F184-M190 HydrophobicContact CG-CG 4.45Å; F184-M190 HydrophobicContact CZ-CG 4.44Å; F184-L193 HydrophobicContact CD2-CD2 4.29Å; F184-L193 HydrophobicContact CE2-CB 3.66Å; F184-L193 HydrophobicContact CE2-CD2 3.84Å; F184-L193 HydrophobicContact CE2-CG 4.41Å; F184-L193 HydrophobicContact CZ-CB 3.83Å; F184-L208 HydrophobicContact CD2-CD1 4.04Å; F184-L212 HydrophobicContact CB-CD2 3.95Å; F184-L212 HydrophobicContact CD1-CD2 4.32Å; F184-L212 HydrophobicContact CD2-CD2 3.63Å; F184-L212 HydrophobicContact CE2-CD2 4.18Å; F184-L212 HydrophobicContact CG-CD2 3.71Å; F184-R270 HydrophobicContact CD1-CG 4.33Å; F184-R270 HydrophobicContact CE1-CB 4.34Å; F184-R270 HydrophobicContact CE1-CG 4.02Å; F184-R270 PolarHBondContact O-NH2 2.86Å; F184-R270 VanDerWaalsContact O-NH2 3.15Å; F184-L272 HydrophobicContact CE2-CD1 4.29Å; F184-L272 HydrophobicContact CE2-CD2 3.73Å; F184-L272 HydrophobicContact CE2-CG 3.96Å; F184-L272 HydrophobicContact CZ-CD2 4.29Å; F184-L272 HydrophobicContact CZ-CG 4.2Å
185	R	88.8	Confident	94.1	Very high	106 Å²	106	28.1 Å²	28.1	40%	0.4	14%	0.135	S	C	.	.	H	α-helix	trans	-88.2	-38	175.3	-178.7	-176	74.6	-176.4	1.2	111.4	F182 L183 C211 I214	F182-R185 VanDerWaalsContact CD1-CZ 3.4Å; F182-R185 WeakPolarHBondContact O-CA 3.36Å; F182-R185 WeakPolarHBondContact O-CB 3.31Å; F182-R185 PolarHBondContact O-N 3.3Å; L183-R185 PolarHBondContact O-N 3.23Å; L183-R185 VanDerWaalsContact O-N 3.1Å; R185-C211 HydrophobicContact CB-CB 4.12Å; R185-I214 HydrophobicContact CG-CD1 4.38Å
186	E	88.9	Confident	94.2	Very high	65 Å²	65	26 Å²	26	30%	0.304	12%	0.117	S	C	.	.	H	α-helix	trans	-99.7	-28.5	-166.2	-67.4	-177.7	-178.3	0	0	113.8	Y152 F182 L183 P188	Y152-E186 WeakPolarHBondContact CE2-OE2 3.5Å; Y152-E186 VanDerWaalsContact CZ-OE2 3.29Å; Y152-E186 VanDerWaalsContact OH-CD 3.31Å; Y152-E186 PolarHBondContact OH-OE1 3.49Å; Y152-E186 PolarHBondContact OH-OE2 3.04Å; F182-E186 HydrophobicContact CB-CG 4.47Å; F182-E186 PolarHBondContact O-N 3.13Å; L183-E186 PolarHBondContact O-N 2.94Å; L183-E186 VanDerWaalsContact O-N 3.12Å; E186-P188 WeakPolarHBondContact O-CD 3.39Å
187	V	89.7	Confident	94.2	Very high	2 Å²	2	28.9 Å²	28.9	1%	0.012	13%	0.129	C	C	.	.			trans	-99.3	102.4	174.1	-179.3	0	0	0	0	108.1	L183 Y189 M190	L183-V187 HydrophobicContact CD2-CG2 3.92Å; L183-V187 WeakPolarHBondContact O-CB 3.47Å; L183-V187 PolarHBondContact O-N 3.14Å; V187-Y189 VanDerWaalsContact C-N 3.27Å; V187-Y189 PolarHBondContact O-N 3.16Å; V187-M190 HydrophobicContact CB-CB 4.03Å; V187-M190 HydrophobicContact CG1-CB 4.05Å; V187-M190 HydrophobicContact CG1-SD 4.41Å; V187-M190 VanDerWaalsContact O-CB 3.3Å; V187-M190 WeakPolarHBondContact O-CB 3.47Å; V187-M190 PolarHBondContact O-N 2.84Å; V187-M190 VanDerWaalsContact O-N 3.08Å
188	P	83.2	Confident	94.2	Very high	27 Å²	27	29.3 Å²	29.3	18%	0.175	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-37.6	-170.5	-24.8	35.6	0	0	0	113.1	E159 E186 M190 R216	E159-P188 WeakPolarHBondContact OE1-CD 3.33Å; E186-P188 WeakPolarHBondContact O-CD 3.39Å; P188-M190 VanDerWaalsContact C-N 3.32Å; P188-M190 PolarHBondContact O-N 2.94Å; P188-R216 WeakPolarHBondContact O-CD 3.35Å; P188-R216 PolarHBondContact O-NE 3.28Å
189	Y	86.6	Confident	94	Very high	77 Å²	77	32.8 Å²	32.8	30%	0.302	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.2	12.3	-178.7	-54.7	-77.7	0	0	0	113.7	E159 T162 V187 E191 V219	E159-Y189 WeakPolarHBondContact OE2-CD2 3.19Å; E159-Y189 WeakPolarHBondContact OE2-CE2 3.38Å; T162-Y189 WeakPolarHBondContact CA-O 3.49Å; T162-Y189 WeakPolarHBondContact CB-O 3.48Å; T162-Y189 WeakPolarHBondContact CG2-O 3.29Å; V187-Y189 VanDerWaalsContact C-N 3.27Å; V187-Y189 PolarHBondContact O-N 3.16Å; Y189-E191 PolarHBondContact O-N 3.42Å; Y189-E191 VanDerWaalsContact O-N 3.12Å; Y189-V219 HydrophobicContact CE1-CG2 4.01Å; Y189-V219 WeakPolarHBondContact OH-CG1 3.42Å
190	M	91.2	Very high	93.9	Very high	2 Å²	2	31.8 Å²	31.8	1%	0.01	14%	0.144	C	C	.	.			trans	-66.9	113.1	178.2	-164.2	72.1	-179.9	0	0	110.6	T162 L164 L183 F184 V187 P188 W192 L193 R216	T162-M190 CarbonylContact O-C 3.38Å; L164-M190 HydrophobicContact CB-CE 3.43Å; L164-M190 VanDerWaalsContact CB-CE 3.43Å; L164-M190 HydrophobicContact CD2-CE 4.37Å; L183-M190 HydrophobicContact CD1-CE 4.21Å; F184-M190 HydrophobicContact CD1-CB 4.03Å; F184-M190 HydrophobicContact CD1-CG 3.92Å; F184-M190 HydrophobicContact CE1-CB 4.32Å; F184-M190 HydrophobicContact CE1-CG 3.92Å; F184-M190 WeakPolarHBondContact CE1-O 3.31Å; F184-M190 HydrophobicContact CG-CG 4.45Å; F184-M190 HydrophobicContact CZ-CG 4.44Å; V187-M190 HydrophobicContact CB-CB 4.03Å; V187-M190 HydrophobicContact CG1-CB 4.05Å; V187-M190 HydrophobicContact CG1-SD 4.41Å; V187-M190 VanDerWaalsContact O-CB 3.3Å; V187-M190 WeakPolarHBondContact O-CB 3.47Å; V187-M190 PolarHBondContact O-N 2.84Å; V187-M190 VanDerWaalsContact O-N 3.08Å; P188-M190 VanDerWaalsContact C-N 3.32Å; P188-M190 PolarHBondContact O-N 2.94Å; M190-W192 WeakPolarHBondContact CE-O 3.44Å; M190-L193 HydrophobicContact CE-CB 4.16Å; M190-L193 HydrophobicContact CE-CD1 4.1Å; M190-R216 PolarHBondContact O-NH2 3.37Å
191	E	92.2	Very high	93.6	Very high	55 Å²	55	32.5 Å²	32.5	26%	0.257	15%	0.152	S	C	.	.			trans	-107.1	-36.1	-176.3	-72.3	171.3	165.6	0	0	112.4	T162 Y189 H268 S269 R270 G271	T162-E191 PolarHBondContact O-N 3.35Å; T162-E191 PolarHBondContact OG1-OE2 2.94Å; Y189-E191 PolarHBondContact O-N 3.42Å; Y189-E191 VanDerWaalsContact O-N 3.12Å; E191-H268 HydrophobicContact CG-CB 4.36Å; E191-H268 IonicContact OE1-CD2 3.62Å; E191-H268 PolarHBondContact OE1-CD2 2.93Å; E191-S269 WeakPolarHBondContact CA-O 3.32Å; E191-R270 CarbonylContact O-C 3.57Å; E191-R270 VanDerWaalsContact O-CA 3.26Å; E191-R270 WeakPolarHBondContact O-CA 3.37Å; E191-G271 PolarHBondContact O-N 2.97Å
192	W	95.5	Very high	93.6	Very high	42 Å²	42	35.5 Å²	35.5	16%	0.159	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	133.4	-173.9	-177.4	-93.6	0	0	0	111.9	T162 G163 L164 M190 G271 H273 D298 R300	T162-W192 PolarHBondContact O-N 3.02Å; G163-W192 CarbonylContact C-O 3.31Å; G163-W192 VanDerWaalsContact CA-O 3.29Å; G163-W192 WeakPolarHBondContact CA-O 3.34Å; L164-W192 PolarHBondContact N-O 2.98Å; M190-W192 WeakPolarHBondContact CE-O 3.44Å; W192-G271 WeakPolarHBondContact CA-O 3.27Å; W192-G271 VanDerWaalsContact CE3-CA 3.45Å; W192-H273 HydrophobicContact CH2-CB 4.09Å; W192-H273 HydrophobicContact CZ2-CB 3.61Å; W192-D298 HydrophobicContact CZ3-CB 3.92Å; W192-R300 HydrophobicContact CH2-CG 4.41Å
193	L	97.3	Very high	93.7	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	119.6	172.6	178.5	63.6	0	0	0	110.3	L164 V180 F184 M190 L195 G271 L272 H273	L164-L193 HydrophobicContact CB-CD1 4.17Å; L164-L193 HydrophobicContact CD2-CD1 4.11Å; L164-L193 HydrophobicContact CG-CD1 4.41Å; L164-L193 WeakPolarHBondContact O-CA 3.17Å; V180-L193 HydrophobicContact CG1-CD1 3.97Å; V180-L193 HydrophobicContact CG1-CD2 4.07Å; F184-L193 HydrophobicContact CD2-CD2 4.29Å; F184-L193 HydrophobicContact CE2-CB 3.66Å; F184-L193 HydrophobicContact CE2-CD2 3.84Å; F184-L193 HydrophobicContact CE2-CG 4.41Å; F184-L193 HydrophobicContact CZ-CB 3.83Å; M190-L193 HydrophobicContact CE-CB 4.16Å; M190-L193 HydrophobicContact CE-CD1 4.1Å; L193-L195 HydrophobicContact CD1-CD1 4.41Å; L193-L195 HydrophobicContact CD1-CD2 4.06Å; L193-L195 HydrophobicContact CD1-CG 4.04Å; L193-L195 HydrophobicContact CD2-CD1 3.91Å; L193-L195 HydrophobicContact CD2-CG 4.34Å; L193-L195 HydrophobicContact CG-CD1 4.08Å; L193-L195 HydrophobicContact CG-CG 3.95Å; L193-G271 PolarHBondContact N-O 2.83Å; L193-L272 HydrophobicContact CB-CD2 3.9Å; L193-L272 HydrophobicContact CD2-CD2 4.13Å; L193-L272 HydrophobicContact CG-CD2 4.23Å; L193-L272 WeakPolarHBondContact O-CA 3.49Å; L193-H273 PolarHBondContact O-N 2.9Å
194	D	98.4	Very high	93.8	Very high	7 Å²	7	36.7 Å²	36.7	4%	0.037	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	114.8	177.1	-161.4	-38.8	0	0	0	110.8	L164 C165 L166 R196 H273	L164-D194 PolarHBondContact O-N 3.02Å; C165-D194 HydrophobicContact CB-CB 3.99Å; L166-D194 PolarHBondContact N-O 3.4Å; D194-R196 WeakPolarHBondContact OD1-CB 3.26Å; D194-R196 WeakPolarHBondContact OD1-CD 3.34Å; D194-R196 WeakPolarHBondContact OD1-CG 3.49Å; D194-R196 PolarHBondContact OD1-N 3.05Å; D194-R196 VanDerWaalsContact OD1-N 3.08Å; D194-R196 IonicContact OD1-NH1 3.5Å; D194-R196 PolarHBondContact OD1-NH1 3.2Å; D194-R196 IonicContact OD2-CZ 3.89Å; D194-R196 IonicContact OD2-NH1 2.79Å; D194-R196 PolarHBondContact OD2-NH1 3.12Å; D194-H273 HydrophobicContact CB-CB 4.25Å; D194-H273 IonicContact OD1-CD2 3.5Å; D194-H273 IonicContact OD1-CG 3.84Å; D194-H273 IonicContact OD2-CD2 3.63Å; D194-H273 PolarHBondContact OD2-CD2 2.88Å; D194-H273 VanDerWaalsContact OD2-CD2 3.22Å; D194-H273 IonicContact OD2-CG 3.42Å
195	L	98.6	Very high	94.2	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.178	C	C	.	.			trans	-126.7	24	179.3	-60.3	175.4	0	0	0	111.4	L166 W177 V180 L193 N198 L200 F204 H273 L274 T277	L166-L195 HydrophobicContact CB-CD2 3.87Å; L166-L195 HydrophobicContact CD1-CD2 4.25Å; L166-L195 HydrophobicContact CG-CD2 4.37Å; W177-L195 HydrophobicContact CE3-CD2 4.13Å; W177-L195 HydrophobicContact CZ3-CD2 3.88Å; V180-L195 HydrophobicContact CG1-CD1 4.12Å; V180-L195 HydrophobicContact CG1-CD2 4.11Å; L193-L195 HydrophobicContact CD1-CD1 4.41Å; L193-L195 HydrophobicContact CD1-CD2 4.06Å; L193-L195 HydrophobicContact CD1-CG 4.04Å; L193-L195 HydrophobicContact CD2-CD1 3.91Å; L193-L195 HydrophobicContact CD2-CG 4.34Å; L193-L195 HydrophobicContact CG-CD1 4.08Å; L193-L195 HydrophobicContact CG-CG 3.95Å; L195-N198 WeakPolarHBondContact O-CB 3.5Å; L195-N198 PolarHBondContact O-ND2 3.44Å; L195-L200 HydrophobicContact CB-CD1 4.25Å; L195-L200 HydrophobicContact CB-CD2 4.12Å; L195-L200 HydrophobicContact CD1-CD1 4.32Å; L195-L200 HydrophobicContact CD1-CD2 4.05Å; L195-F204 HydrophobicContact CD1-CE1 4.14Å; L195-F204 HydrophobicContact CD1-CE2 4.01Å; L195-F204 HydrophobicContact CD1-CZ 3.36Å; L195-H273 PolarHBondContact N-O 3.3Å; L195-L274 HydrophobicContact CB-CD2 4Å; L195-L274 HydrophobicContact CD1-CD2 4.34Å; L195-T277 VanDerWaalsContact O-CG2 3.28Å; L195-T277 WeakPolarHBondContact O-CG2 3Å
196	R	98.2	Very high	94.7	Very high	42 Å²	42	36 Å²	36	16%	0.158	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	150.3	-179.9	73.8	-168.1	-175.7	-105.6	-5.5	111.3	E139 A167 R168 D194 N198 H273 G275	E139-R196 IonicContact OE1-NH2 2.87Å; E139-R196 PolarHBondContact OE1-NH2 3.5Å; E139-R196 IonicContact OE2-CZ 2.98Å; E139-R196 IonicContact OE2-NH2 3.36Å; E139-R196 PolarHBondContact OE2-NH2 3Å; A167-R196 VanDerWaalsContact CA-O 3.23Å; A167-R196 WeakPolarHBondContact CA-O 3.46Å; A167-R196 HydrophobicContact CB-CG 3.53Å; A167-R196 WeakPolarHBondContact CB-O 3.38Å; R168-R196 PolarHBondContact N-O 3.28Å; D194-R196 WeakPolarHBondContact OD1-CB 3.26Å; D194-R196 WeakPolarHBondContact OD1-CD 3.34Å; D194-R196 WeakPolarHBondContact OD1-CG 3.49Å; D194-R196 PolarHBondContact OD1-N 3.05Å; D194-R196 VanDerWaalsContact OD1-N 3.08Å; D194-R196 IonicContact OD1-NH1 3.5Å; D194-R196 PolarHBondContact OD1-NH1 3.2Å; D194-R196 IonicContact OD2-CZ 3.89Å; D194-R196 IonicContact OD2-NH1 2.79Å; D194-R196 PolarHBondContact OD2-NH1 3.12Å; R196-N198 VanDerWaalsContact C-N 3.28Å; R196-N198 PolarHBondContact O-N 2.72Å; R196-H273 WeakPolarHBondContact CD-NE2 3.38Å; R196-H273 PolarHBondContact N-O 2.88Å; R196-G275 CarbonylContact C-O 3.18Å; R196-G275 WeakPolarHBondContact CA-O 3.36Å; R196-G275 VanDerWaalsContact CB-O 3.24Å; R196-G275 WeakPolarHBondContact CB-O 3.37Å
197	E	98	Very high	95.1	Very high	68 Å²	68	34.6 Å²	34.6	32%	0.318	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.2	38.2	178.4	-65	165.6	-105.3	0	0	113.3	R168 G275 C276	R168-E197 HydrophobicContact CG-CB 3.61Å; R168-E197 HydrophobicContact CG-CG 4.26Å; R168-E197 IonicContact CZ-OE1 2.98Å; R168-E197 IonicContact CZ-OE2 3.07Å; R168-E197 IonicContact NE-OE1 2.72Å; R168-E197 PolarHBondContact NE-OE1 3.13Å; R168-E197 VanDerWaalsContact NE-OE1 3.07Å; R168-E197 IonicContact NE-OE2 2.68Å; R168-E197 PolarHBondContact NE-OE2 2.76Å; R168-E197 IonicContact NH1-OE1 2.78Å; R168-E197 IonicContact NH2-OE1 3.51Å; R168-E197 PolarHBondContact NH2-OE1 3.36Å; R168-E197 IonicContact NH2-OE2 3.72Å; R168-E197 PolarHBondContact NH2-OE2 3.43Å; E197-G275 PolarHBondContact N-O 2.83Å; E197-C276 WeakPolarHBondContact CA-O 3.42Å; E197-C276 HydrophobicContact CB-CB 4.34Å; E197-C276 HydrophobicContact CG-CB 3.42Å; E197-C276 VanDerWaalsContact CG-CB 3.42Å
198	N	97.8	Very high	95.5	Very high	9 Å²	9	34.5 Å²	34.5	5%	0.048	17%	0.174	C	C	.	.	S	Bend	trans	-127.1	150	172	-67.5	-46.4	0	0	0	110.7	L166 R168 N169 W177 L195 R196 L200 T277	L166-N198 PolarHBondContact O-ND2 3.17Å; R168-N198 PolarHBondContact N-OD1 3.25Å; N169-N198 PolarHBondContact N-OD1 3Å; W177-N198 HydrophobicContact CZ2-CB 3.79Å; W177-N198 WeakPolarHBondContact CZ2-ND2 3.29Å; W177-N198 WeakPolarHBondContact CZ2-OD1 3.32Å; L195-N198 WeakPolarHBondContact O-CB 3.5Å; L195-N198 PolarHBondContact O-ND2 3.44Å; R196-N198 VanDerWaalsContact C-N 3.28Å; R196-N198 PolarHBondContact O-N 2.72Å; N198-L200 HydrophobicContact CB-CD2 4Å; N198-L200 PolarHBondContact O-N 3.43Å; N198-T277 WeakPolarHBondContact O-CA 3.47Å; N198-T277 WeakPolarHBondContact O-CG2 3.14Å
199	N	94.2	Very high	96.1	Very high	111 Å²	111	33.6 Å²	33.6	59%	0.594	17%	0.168	S	C	*	.			trans	-90	96.6	173.5	-179.2	7.4	0	0	0	110.7	S174 W177	S174-N199 VanDerWaalsContact CA-O 3.25Å; S174-N199 WeakPolarHBondContact CA-O 3.27Å; W177-N199 VanDerWaalsContact CD1-O 3.3Å
200	L	96.2	Very high	96.6	Very high	2 Å²	2	32.3 Å²	32.3	1%	0.01	17%	0.17	C	C	.	.			trans	-81.8	-30.7	-171.6	-56.7	178.2	0	0	0	113.8	W177 L195 N198 F204 L274 T277 I279	W177-L200 HydrophobicContact CB-CD2 4.15Å; W177-L200 HydrophobicContact CD2-CD2 4.03Å; W177-L200 HydrophobicContact CG-CD2 3.76Å; L195-L200 HydrophobicContact CB-CD1 4.25Å; L195-L200 HydrophobicContact CB-CD2 4.12Å; L195-L200 HydrophobicContact CD1-CD1 4.32Å; L195-L200 HydrophobicContact CD1-CD2 4.05Å; N198-L200 HydrophobicContact CB-CD2 4Å; N198-L200 PolarHBondContact O-N 3.43Å; L200-F204 HydrophobicContact CB-CB 4.36Å; L200-F204 HydrophobicContact CB-CD1 3.62Å; L200-F204 HydrophobicContact CB-CE1 4.15Å; L200-F204 HydrophobicContact CB-CG 4.05Å; L200-F204 HydrophobicContact CD1-CD1 4.03Å; L200-F204 HydrophobicContact CD1-CE1 3.69Å; L200-F204 HydrophobicContact CD1-CZ 4.4Å; L200-F204 HydrophobicContact CD2-CD1 4.47Å; L200-F204 HydrophobicContact CD2-CE1 4.35Å; L200-F204 HydrophobicContact CD2-CZ 4.49Å; L200-F204 HydrophobicContact CG-CD1 4.24Å; L200-F204 HydrophobicContact CG-CE1 4.28Å; L200-F204 WeakPolarHBondContact O-CB 3.34Å; L200-L274 HydrophobicContact CD1-CD2 3.87Å; L200-T277 HydrophobicContact CD1-CG2 3.95Å; L200-T277 HydrophobicContact CG-CG2 4.32Å; L200-I279 HydrophobicContact CD1-CD1 4.29Å
201	G	93.3	Very high	96.7	Very high	18 Å²	18	32.4 Å²	32.4	19%	0.186	17%	0.171	C	C	.	.	H	α-helix	trans	69.8	169.9	-178.4	0	0	0	0	0	115.8	V205	G201-V205 WeakPolarHBondContact O-CG2 3.19Å; G201-V205 PolarHBondContact O-N 2.85Å
202	L	96.2	Very high	96.7	Very high	62 Å²	62	29.8 Å²	29.8	33%	0.325	16%	0.159	S	C	.	.	H	α-helix	trans	-67.7	-42.4	-173	176.3	63.5	0	0	0	113.3	F204 V205 Q206 L283	L202-F204 PolarHBondContact O-N 2.83Å; L202-V205 PolarHBondContact O-N 2.73Å; L202-Q206 HydrophobicContact CD1-CG 4.09Å; L202-Q206 HydrophobicContact CG-CG 4.34Å; L202-Q206 WeakPolarHBondContact O-CG 3.5Å; L202-Q206 PolarHBondContact O-N 2.96Å; L202-L283 HydrophobicContact CB-CD2 3.98Å; L202-L283 HydrophobicContact CD1-CD2 3.61Å; L202-L283 HydrophobicContact CG-CD2 4.41Å
203	T	97.7	Very high	96.5	Very high	72 Å²	72	33.4 Å²	33.4	44%	0.442	17%	0.172	S	C	.	.	H	α-helix	trans	-62.7	-44.5	-176	-52	0	0	0	0	111.2	I178 V205 Q206 I207	I178-T203 HydrophobicContact CD1-CG2 3.71Å; I178-T203 HydrophobicContact CG1-CG2 4.25Å; T203-V205 PolarHBondContact O-N 3.16Å; T203-Q206 PolarHBondContact O-N 3.41Å; T203-I207 HydrophobicContact CG2-CD1 3.93Å; T203-I207 VanDerWaalsContact O-CG1 3.31Å; T203-I207 WeakPolarHBondContact O-CG1 3.37Å; T203-I207 PolarHBondContact O-N 2.89Å
204	F	98.3	Very high	95.7	Very high	1 Å²	1	37 Å²	37	0%	0.004	19%	0.191	C	C	.	.	H	α-helix	trans	-54.9	-51.6	172.1	174.3	-89.2	0	0	0	111.3	W177 V180 A181 L195 L200 L202 Q206 I207 L208	W177-F204 HydrophobicContact CB-CD2 3.82Å; W177-F204 HydrophobicContact CB-CE2 4.29Å; W177-F204 HydrophobicContact CB-CG 4.44Å; W177-F204 WeakPolarHBondContact O-CD2 3.38Å; W177-F204 WeakPolarHBondContact O-CE2 3.42Å; V180-F204 HydrophobicContact CB-CE2 4.31Å; A181-F204 HydrophobicContact CB-CD2 3.67Å; A181-F204 HydrophobicContact CB-CE2 3.63Å; A181-F204 HydrophobicContact CB-CG 4.38Å; A181-F204 HydrophobicContact CB-CZ 4.31Å; L195-F204 HydrophobicContact CD1-CE1 4.14Å; L195-F204 HydrophobicContact CD1-CE2 4.01Å; L195-F204 HydrophobicContact CD1-CZ 3.36Å; L200-F204 HydrophobicContact CB-CB 4.36Å; L200-F204 HydrophobicContact CB-CD1 3.62Å; L200-F204 HydrophobicContact CB-CE1 4.15Å; L200-F204 HydrophobicContact CB-CG 4.05Å; L200-F204 HydrophobicContact CD1-CD1 4.03Å; L200-F204 HydrophobicContact CD1-CE1 3.69Å; L200-F204 HydrophobicContact CD1-CZ 4.4Å; L200-F204 HydrophobicContact CD2-CD1 4.47Å; L200-F204 HydrophobicContact CD2-CE1 4.35Å; L200-F204 HydrophobicContact CD2-CZ 4.49Å; L200-F204 HydrophobicContact CG-CD1 4.24Å; L200-F204 HydrophobicContact CG-CE1 4.28Å; L200-F204 WeakPolarHBondContact O-CB 3.34Å; L202-F204 PolarHBondContact O-N 2.83Å; F204-Q206 VanDerWaalsContact C-N 3.32Å; F204-Q206 PolarHBondContact O-N 2.81Å; F204-I207 PolarHBondContact O-N 3.06Å; F204-I207 VanDerWaalsContact O-N 3.17Å; F204-L208 HydrophobicContact CE1-CB 4.13Å; F204-L208 HydrophobicContact CE1-CD2 3.57Å; F204-L208 HydrophobicContact CE1-CG 4.42Å; F204-L208 HydrophobicContact CZ-CB 4.39Å; F204-L208 HydrophobicContact CZ-CD2 3.9Å; F204-L208 WeakPolarHBondContact O-CB 3.39Å; F204-L208 PolarHBondContact O-N 3.21Å
205	V	98.3	Very high	94.4	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-59.8	-41.9	-177.5	168.2	0	0	0	0	111.7	G201 L202 T203 S209 L283 T286 L287	G201-V205 WeakPolarHBondContact O-CG2 3.19Å; G201-V205 PolarHBondContact O-N 2.85Å; L202-V205 PolarHBondContact O-N 2.73Å; T203-V205 PolarHBondContact O-N 3.16Å; V205-S209 WeakPolarHBondContact O-CB 3.31Å; V205-S209 PolarHBondContact O-N 3.39Å; V205-L283 HydrophobicContact CB-CD2 4.45Å; V205-L283 WeakPolarHBondContact CG1-O 3.44Å; V205-L283 HydrophobicContact CG2-CD2 4.37Å; V205-T286 HydrophobicContact CG1-CG2 4.25Å; V205-L287 HydrophobicContact CG1-CB 3.88Å; V205-L287 HydrophobicContact CG1-CD1 4.17Å; V205-L287 HydrophobicContact CG1-CD2 4.38Å; V205-L287 HydrophobicContact CG1-CG 4.35Å
206	Q	98	Very high	93	Very high	93 Å²	93	44.9 Å²	44.9	44%	0.435	23%	0.234	S	C	.	.	H	α-helix	trans	-62.7	-45.5	176.3	-74.7	174.9	-26.9	0	0	112	L202 T203 F204 S210 T286	L202-Q206 HydrophobicContact CD1-CG 4.09Å; L202-Q206 HydrophobicContact CG-CG 4.34Å; L202-Q206 WeakPolarHBondContact O-CG 3.5Å; L202-Q206 PolarHBondContact O-N 2.96Å; T203-Q206 PolarHBondContact O-N 3.41Å; F204-Q206 VanDerWaalsContact C-N 3.32Å; F204-Q206 PolarHBondContact O-N 2.81Å; Q206-S210 PolarHBondContact O-N 2.73Å; Q206-T286 HydrophobicContact CG-CG2 3.74Å
207	I	97.9	Very high	91.3	Very high	37 Å²	37	50.9 Å²	50.9	19%	0.19	26%	0.262	C	S	.	.	H	α-helix	trans	-67.2	-48.4	179.8	-67.1	169.1	0	0	0	110.2	I178 A181 F182 T203 F204 S209 S210 C211	I178-I207 HydrophobicContact CG2-CD1 3.65Å; A181-I207 HydrophobicContact CB-CB 3.99Å; A181-I207 HydrophobicContact CB-CG2 3.61Å; F182-I207 HydrophobicContact CD1-CG2 3.94Å; F182-I207 HydrophobicContact CD2-CG2 4.42Å; F182-I207 HydrophobicContact CE1-CG2 3.46Å; F182-I207 VanDerWaalsContact CE1-CG2 3.46Å; F182-I207 HydrophobicContact CE2-CG2 3.98Å; F182-I207 HydrophobicContact CG-CG2 4.42Å; F182-I207 HydrophobicContact CZ-CD1 4.15Å; F182-I207 HydrophobicContact CZ-CG2 3.49Å; F182-I207 VanDerWaalsContact CZ-CG2 3.49Å; T203-I207 HydrophobicContact CG2-CD1 3.93Å; T203-I207 VanDerWaalsContact O-CG1 3.31Å; T203-I207 WeakPolarHBondContact O-CG1 3.37Å; T203-I207 PolarHBondContact O-N 2.89Å; F204-I207 PolarHBondContact O-N 3.06Å; F204-I207 VanDerWaalsContact O-N 3.17Å; I207-S209 VanDerWaalsContact C-N 3.33Å; I207-S209 PolarHBondContact O-N 3.19Å; I207-S210 CarbonylContact O-C 3.51Å; I207-S210 WeakPolarHBondContact O-CA 3.45Å; I207-S210 WeakPolarHBondContact O-CB 3.37Å; I207-S210 PolarHBondContact O-N 3.14Å; I207-C211 WeakPolarHBondContact O-CB 3.19Å; I207-C211 PolarHBondContact O-N 2.92Å; I207-C211 PolarHBondContact O-SG 3.43Å; I207-C211 VanDerWaalsContact O-SG 3.36Å
208	L	97.4	Very high	89.4	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-58	-47.7	178.6	178.8	63.2	0	0	0	110.5	A181 F184 F204 S210 C211 L212 L287	A181-L208 HydrophobicContact CB-CB 4.08Å; F184-L208 HydrophobicContact CD2-CD1 4.04Å; F204-L208 HydrophobicContact CE1-CB 4.13Å; F204-L208 HydrophobicContact CE1-CD2 3.57Å; F204-L208 HydrophobicContact CE1-CG 4.42Å; F204-L208 HydrophobicContact CZ-CB 4.39Å; F204-L208 HydrophobicContact CZ-CD2 3.9Å; F204-L208 WeakPolarHBondContact O-CB 3.39Å; F204-L208 PolarHBondContact O-N 3.21Å; L208-S210 PolarHBondContact O-N 3.1Å; L208-C211 PolarHBondContact O-N 2.87Å; L208-L212 HydrophobicContact CD1-CD1 4.09Å; L208-L212 HydrophobicContact CD1-CD2 4.4Å; L208-L212 HydrophobicContact CD1-CG 3.97Å; L208-L212 HydrophobicContact CG-CD1 3.94Å; L208-L212 HydrophobicContact CG-CG 4.27Å; L208-L212 WeakPolarHBondContact O-CB 3.07Å; L208-L212 VanDerWaalsContact O-CG 3.27Å; L208-L212 WeakPolarHBondContact O-CG 3.25Å; L208-L212 PolarHBondContact O-N 3.4Å; L208-L287 HydrophobicContact CB-CD1 4.33Å; L208-L287 HydrophobicContact CD2-CD1 4.07Å; L208-L287 HydrophobicContact CG-CD1 4.14Å
209	S	96.9	Very high	87.3	Confident	7 Å²	7	58.5 Å²	58.5	5%	0.049	30%	0.3	C	S	.	.	H	α-helix	trans	-56.1	-40.1	175.1	-172.6	0	0	0	0	111.6	V205 I207 R213 T286 G290	V205-S209 WeakPolarHBondContact O-CB 3.31Å; V205-S209 PolarHBondContact O-N 3.39Å; I207-S209 VanDerWaalsContact C-N 3.33Å; I207-S209 PolarHBondContact O-N 3.19Å; S209-R213 VanDerWaalsContact O-CG 3.28Å; S209-R213 WeakPolarHBondContact O-CG 3.46Å; S209-R213 PolarHBondContact O-NE 3.42Å; S209-T286 WeakPolarHBondContact CB-O 3.49Å; S209-T286 PolarHBondContact OG-O 3.33Å; S209-G290 WeakPolarHBondContact O-CA 3.3Å; S209-G290 PolarHBondContact OG-N 2.84Å
210	S	96.1	Very high	85.1	Confident	51 Å²	51	61.8 Å²	61.8	36%	0.357	31%	0.309	S	S	.	.	H	α-helix	trans	-71	-43.7	176.2	-162.7	0	0	0	0	113.4	Q206 I207 L208 R213	Q206-S210 PolarHBondContact O-N 2.73Å; I207-S210 CarbonylContact O-C 3.51Å; I207-S210 WeakPolarHBondContact O-CA 3.45Å; I207-S210 WeakPolarHBondContact O-CB 3.37Å; I207-S210 PolarHBondContact O-N 3.14Å; L208-S210 PolarHBondContact O-N 3.1Å; S210-R213 PolarHBondContact O-N 2.95Å; S210-R213 PolarHBondContact OG-NH2 2.78Å
211	C	94.2	Very high	82.4	Confident	3 Å²	3	66.9 Å²	66.9	2%	0.02	34%	0.34	C	S	.	.	H	α-helix	trans	-65.5	-39.7	-178.2	-73	0	0	0	0	112	A181 F182 R185 I207 L208 R213 I214	A181-C211 WeakPolarHBondContact O-CB 3.45Å; A181-C211 PolarHBondContact O-SG 3.05Å; F182-C211 VanDerWaalsContact CD1-SG 3.56Å; R185-C211 HydrophobicContact CB-CB 4.12Å; I207-C211 WeakPolarHBondContact O-CB 3.19Å; I207-C211 PolarHBondContact O-N 2.92Å; I207-C211 PolarHBondContact O-SG 3.43Å; I207-C211 VanDerWaalsContact O-SG 3.36Å; L208-C211 PolarHBondContact O-N 2.87Å; C211-R213 VanDerWaalsContact C-N 3.28Å; C211-R213 PolarHBondContact O-N 2.93Å; C211-I214 PolarHBondContact O-N 3Å
212	L	92.8	Very high	80.1	Confident	0 Å²	0	73.5 Å²	73.5	0%	0	36%	0.364	C	S	.	.	H	α-helix	trans	-61.2	-35.7	178.5	-73.9	173.3	0	0	0	112.9	F184 L208 I214 R270 L272 F291 G294 I296	F184-L212 HydrophobicContact CB-CD2 3.95Å; F184-L212 HydrophobicContact CD1-CD2 4.32Å; F184-L212 HydrophobicContact CD2-CD2 3.63Å; F184-L212 HydrophobicContact CE2-CD2 4.18Å; F184-L212 HydrophobicContact CG-CD2 3.71Å; L208-L212 HydrophobicContact CD1-CD1 4.09Å; L208-L212 HydrophobicContact CD1-CD2 4.4Å; L208-L212 HydrophobicContact CD1-CG 3.97Å; L208-L212 HydrophobicContact CG-CD1 3.94Å; L208-L212 HydrophobicContact CG-CG 4.27Å; L208-L212 WeakPolarHBondContact O-CB 3.07Å; L208-L212 VanDerWaalsContact O-CG 3.27Å; L208-L212 WeakPolarHBondContact O-CG 3.25Å; L208-L212 PolarHBondContact O-N 3.4Å; L212-I214 PolarHBondContact O-N 2.71Å; L212-R270 PolarHBondContact O-NH1 2.78Å; L212-L272 HydrophobicContact CD1-CD1 3.84Å; L212-L272 HydrophobicContact CD2-CD1 4.41Å; L212-F291 HydrophobicContact CD1-CD1 3.95Å; L212-F291 HydrophobicContact CD1-CE1 4.23Å; L212-G294 WeakPolarHBondContact O-CA 3.44Å; L212-I296 HydrophobicContact CD2-CD1 4.01Å
213	R	90.2	Very high	77	Confident	118 Å²	118	78.9 Å²	78.9	45%	0.445	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-17.1	-178.5	-65.1	-176.2	-69.4	156.6	3.4	113.9	S209 S210 C211 L293	S209-R213 VanDerWaalsContact O-CG 3.28Å; S209-R213 WeakPolarHBondContact O-CG 3.46Å; S209-R213 PolarHBondContact O-NE 3.42Å; S210-R213 PolarHBondContact O-N 2.95Å; S210-R213 PolarHBondContact OG-NH2 2.78Å; C211-R213 VanDerWaalsContact C-N 3.28Å; C211-R213 PolarHBondContact O-N 2.93Å; R213-L293 HydrophobicContact CB-CB 4.47Å; R213-L293 HydrophobicContact CG-CB 4Å; R213-L293 HydrophobicContact CG-CD1 4.13Å
214	I	81.8	Confident	74.1	Confident	75 Å²	75	85.1 Å²	85.1	39%	0.385	41%	0.409	S	S	.	.	S	Bend	trans	-79.5	125.8	-179	-60.1	170.8	0	0	0	107.4	R185 C211 L212	R185-I214 HydrophobicContact CG-CD1 4.38Å; C211-I214 PolarHBondContact O-N 3Å; L212-I214 PolarHBondContact O-N 2.71Å
215	P	70.3	Confident	70.9	Confident	110 Å²	110	93.5 Å²	93.5	71%	0.714	45%	0.445	S	S	*	.	P	Polyproline II helix	trans	-55	142	174.2	-21.9	31.6	0	0	0	110.3	K217	P215-K217 PolarHBondContact O-N 3.34Å
216	R	68.3	Low	67.9	Low	63 Å²	63	103 Å²	103	24%	0.238	49%	0.487	C	S	.	.	P	Polyproline II helix	trans	-55.2	144.3	171.3	-74.9	-175.7	171.3	132.7	-6.3	108.7	P188 M190 E218 H268	P188-R216 WeakPolarHBondContact O-CD 3.35Å; P188-R216 PolarHBondContact O-NE 3.28Å; M190-R216 PolarHBondContact O-NH2 3.37Å; R216-E218 PolarHBondContact O-N 3.19Å; R216-H268 PolarHBondContact NH1-O 3.3Å
217	K	64.2	Low	65	Low	169 Å²	169	106.1 Å²	106.1	74%	0.735	50%	0.501	S	S	*	.	P	Polyproline II helix	trans	-56.2	126	165.3	-74.5	-176.5	179.5	176.8	0	107.5	P215 V219	P215-K217 PolarHBondContact O-N 3.34Å; K217-V219 PolarHBondContact O-N 2.9Å
218	E	56.7	Low	62	Low	188 Å²	188	108.5 Å²	108.5	88%	0.879	52%	0.521	S	S	*	.	P	Polyproline II helix	trans	-58.5	122.8	171.1	-74.6	-175.4	165.7	0	0	108.5	R216 K220	R216-E218 PolarHBondContact O-N 3.19Å; E218-K220 PolarHBondContact O-N 3.2Å; E218-K220 VanDerWaalsContact O-N 3.1Å
219	V	54.1	Low	59	Low	49 Å²	49	117.6 Å²	117.6	30%	0.297	56%	0.561	S	S	.	*			trans	-69.5	108.2	171.9	177.6	0	0	0	0	106.1	Y189 K217 T221 L265	Y189-V219 HydrophobicContact CE1-CG2 4.01Å; Y189-V219 WeakPolarHBondContact OH-CG1 3.42Å; K217-V219 PolarHBondContact O-N 2.9Å; V219-T221 PolarHBondContact O-N 3.11Å; V219-L265 HydrophobicContact CB-CD2 4.29Å
220	K	47.4	Very low	56.3	Low	179 Å²	179	122.9 Å²	122.9	78%	0.778	59%	0.589	S	S	*	*			trans	-61.4	107	162	-70.1	-178.2	-178.5	175	0	105.8	E218 K222	E218-K220 PolarHBondContact O-N 3.2Å; E218-K220 VanDerWaalsContact O-N 3.1Å; K220-K222 PolarHBondContact O-N 2.92Å
221	T	41	Very low	53.6	Low	109 Å²	109	129.4 Å²	129.4	67%	0.669	61%	0.611	S	S	*	*			trans	-59.4	96.4	165.9	36.3	0	0	0	0	106.5	V219 Q223 L265	V219-T221 PolarHBondContact O-N 3.11Å; T221-Q223 VanDerWaalsContact C-N 3.26Å; T221-Q223 PolarHBondContact O-N 2.78Å; T221-L265 HydrophobicContact CG2-CD1 4.32Å
222	K	44.3	Very low	50.9	Low	157 Å²	157	138.3 Å²	138.3	68%	0.683	65%	0.652	S	S	*	*			trans	-63.7	98.7	169.5	-72	-179.1	-178.6	173.5	0	104.9	K220 F224	K220-K222 PolarHBondContact O-N 2.92Å; K222-F224 VanDerWaalsContact C-N 3.33Å; K222-F224 PolarHBondContact O-N 2.85Å
223	Q	31.6	Very low	48.3	Very low	175 Å²	175	142.3 Å²	142.3	82%	0.818	68%	0.679	S	S	*	*			trans	-50.8	109.8	161	-90.3	179.6	-10.1	0	0	105.1	T221 K225	T221-Q223 VanDerWaalsContact C-N 3.26Å; T221-Q223 PolarHBondContact O-N 2.78Å; Q223-K225 PolarHBondContact O-N 3.46Å
224	F	37	Very low	45.8	Very low	203 Å²	203	143.3 Å²	143.3	89%	0.89	69%	0.694	S	S	*	*			trans	-57.7	93.8	164.2	-97.1	-93.4	0	0	0	105.2	K222 K226	K222-F224 VanDerWaalsContact C-N 3.33Å; K222-F224 PolarHBondContact O-N 2.85Å; F224-K226 PolarHBondContact O-N 3.45Å
225	K	31.1	Very low	43.8	Very low	178 Å²	178	147.4 Å²	147.4	77%	0.774	72%	0.715	S	S	*	*			trans	-59.4	104.2	156.8	-86	-176.2	174.8	179.6	0	103.1	Q223 E227	Q223-K225 PolarHBondContact O-N 3.46Å; K225-E227 PolarHBondContact O-N 2.99Å
226	K	35.2	Very low	42.1	Very low	200 Å²	200	150.2 Å²	150.2	87%	0.87	72%	0.724	S	S	*	*			trans	-60.6	88.1	166.8	-161.7	179.2	-173.1	-177.6	0	104.4	F224 S228	F224-K226 PolarHBondContact O-N 3.45Å; K226-S228 VanDerWaalsContact C-N 3.31Å; K226-S228 PolarHBondContact O-N 3.08Å
227	E	37.4	Very low	40.6	Very low	158 Å²	158	151.9 Å²	151.9	74%	0.738	75%	0.745	S	S	*	*			trans	-58.8	105.8	170.8	-73.4	-176.3	166.1	0	0	104.7	K225 F229	K225-E227 PolarHBondContact O-N 2.99Å; E227-F229 VanDerWaalsContact C-N 3.32Å; E227-F229 PolarHBondContact O-N 3.21Å
228	S	35	Very low	39.3	Very low	86 Å²	86	153.2 Å²	153.2	60%	0.601	75%	0.751	S	S	*	*			trans	-55.3	102.4	174.1	162	0	0	0	0	106.4	K226 D230	K226-S228 VanDerWaalsContact C-N 3.31Å; K226-S228 PolarHBondContact O-N 3.08Å; S228-D230 PolarHBondContact O-N 3.21Å; S228-D230 WeakPolarHBondContact OG-CB 3.33Å; S228-D230 PolarHBondContact OG-OD2 3.08Å
229	F	34.4	Very low	38.5	Very low	192 Å²	192	153.7 Å²	153.7	84%	0.842	75%	0.75	S	S	*	*			trans	-76.2	46.4	168.4	-109.4	-88.7	0	0	0	109.2	E227	E227-F229 VanDerWaalsContact C-N 3.32Å; E227-F229 PolarHBondContact O-N 3.21Å
230	D	39.7	Very low	37.6	Very low	118 Å²	118	159.4 Å²	159.4	63%	0.631	78%	0.778	S	S	*	*			trans	-106.8	59.5	172.3	-61.3	-49.4	0	0	0	108.9	S228	S228-D230 PolarHBondContact O-N 3.21Å; S228-D230 WeakPolarHBondContact OG-CB 3.33Å; S228-D230 PolarHBondContact OG-OD2 3.08Å
231	K	38.8	Very low	37.1	Very low	188 Å²	188	156.3 Å²	156.3	82%	0.817	78%	0.779	S	S	*	*	S	Bend	trans	-132.7	69.2	163.6	-87.7	-172.6	176.3	177.4	0	108.3
232	H	38.2	Very low	37.2	Very low	190 Å²	190	158.7 Å²	158.7	88%	0.88	79%	0.787	S	S	*	*	S	Bend	trans	-169.6	7	150.4	-98.4	-56.5	0	0	0	114.7
233	S	36.9	Very low	37.1	Very low	83 Å²	83	160.1 Å²	160.1	58%	0.58	79%	0.794	S	S	*	*			trans	-96.1	10.9	174.5	69.1	0	0	0	0	115.3	L235	S233-L235 VanDerWaalsContact C-N 3.28Å; S233-L235 PolarHBondContact O-N 3.47Å
234	D	38.3	Very low	37.3	Very low	140 Å²	140	159.4 Å²	159.4	75%	0.749	80%	0.795	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.8	8.5	-178.4	-88.1	-11.5	0	0	0	114.9
235	L	39.1	Very low	37.2	Very low	160 Å²	160	157.6 Å²	157.6	84%	0.838	79%	0.793	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.8	2.9	176	-104.5	137.8	0	0	0	114.7	S233	S233-L235 VanDerWaalsContact C-N 3.28Å; S233-L235 PolarHBondContact O-N 3.47Å
236	L	36.2	Very low	37.2	Very low	170 Å²	170	159 Å²	159	89%	0.89	80%	0.799	S	S	*	*	S	Bend	trans	-120.4	11.5	-177.7	-75.5	170.3	0	0	0	115.7
237	S	36.1	Very low	37.2	Very low	97 Å²	97	158.9 Å²	158.9	68%	0.678	80%	0.799	S	S	*	*			trans	-106.4	26.5	171.3	60.5	0	0	0	0	113.3	K239	S237-K239 PolarHBondContact O-N 3.09Å
238	K	37.8	Very low	36.9	Very low	198 Å²	198	159.7 Å²	159.7	86%	0.861	81%	0.807	S	S	*	*	S	Bend	trans	-83	90.8	157.3	-91.1	-178	177	173.6	0	109
239	K	39.9	Very low	36.8	Very low	198 Å²	198	161.1 Å²	161.1	86%	0.861	82%	0.817	S	S	*	*			trans	133.2	59.8	161.5	-82	-177.4	163.6	-179.4	0	113.3	S237	S237-K239 PolarHBondContact O-N 3.09Å
240	L	34.3	Very low	36.5	Very low	169 Å²	169	161.1 Å²	161.1	89%	0.885	82%	0.816	S	S	*	*			trans	-126.3	115.1	149.5	-71.6	172.7	0	0	0	107.6
241	S	37.9	Very low	36.1	Very low	114 Å²	114	162.7 Å²	162.7	80%	0.797	83%	0.825	S	S	*	*			trans	-67.4	142	-170.6	46.5	0	0	0	0	113.2	K243	S241-K243 VanDerWaalsContact C-N 3.32Å; S241-K243 PolarHBondContact O-N 3.37Å
242	D	42.7	Very low	35.9	Very low	159 Å²	159	160.3 Å²	160.3	85%	0.85	83%	0.826	S	S	*	*	S	Bend	trans	-64.1	53.5	-172.5	-68.6	-47.6	0	0	0	117.2
243	K	40.9	Very low	35.7	Very low	187 Å²	187	156.7 Å²	156.7	81%	0.813	82%	0.821	S	S	*	*	S	Bend	trans	-127.8	-2.8	177.6	-78.1	-165.2	174.9	-179.2	0	120.5	S241	S241-K243 VanDerWaalsContact C-N 3.32Å; S241-K243 PolarHBondContact O-N 3.37Å
244	D	36.5	Very low	35.3	Very low	159 Å²	159	159.9 Å²	159.9	85%	0.85	83%	0.83	S	S	*	*	S	Bend	trans	-128.4	17	-178.3	-66.8	-48.2	0	0	0	116.8	F246	D244-F246 VanDerWaalsContact C-N 3.33Å; D244-F246 PolarHBondContact O-N 3.33Å
245	I	34.1	Very low	35	Very low	166 Å²	166	158.4 Å²	158.4	85%	0.851	83%	0.831	S	S	*	*			trans	-87.5	4.9	-179.3	-61.5	-178.6	0	0	0	113.5	K247	I245-K247 PolarHBondContact O-N 2.93Å
246	F	32.3	Very low	34.6	Very low	206 Å²	206	159.5 Å²	159.5	90%	0.904	83%	0.832	S	S	*	*	S	Bend	trans	-103.9	50.5	-171.3	-135.9	-86.4	0	0	0	114.8	D244	D244-F246 VanDerWaalsContact C-N 3.33Å; D244-F246 PolarHBondContact O-N 3.33Å
247	K	35	Very low	34.3	Very low	199 Å²	199	156.3 Å²	156.3	87%	0.865	82%	0.824	S	S	*	*	S	Bend	trans	-165.4	32.2	164.2	-127.2	171.7	-175.8	177.5	0	120.8	I245	I245-K247 PolarHBondContact O-N 2.93Å
248	I	31.3	Very low	34.1	Very low	175 Å²	175	159.6 Å²	159.6	90%	0.897	83%	0.834	S	S	*	*			trans	-137.7	78.1	164.8	-51.5	176.8	0	0	0	109
249	S	32.3	Very low	33.7	Very low	116 Å²	116	160.2 Å²	160.2	81%	0.811	84%	0.837	S	S	*	*			trans	-145.7	77.6	176.1	157.8	0	0	0	0	107.8
250	K	29.3	Very low	33.4	Very low	191 Å²	191	155.9 Å²	155.9	83%	0.83	83%	0.832	S	S	*	*			trans	-165.4	139.7	156	-109.2	169.5	-177.1	-178.7	0	107.1
251	D	31	Very low	33.4	Very low	152 Å²	152	152 Å²	152	81%	0.813	82%	0.819	S	S	*	*			trans	94.7	61.4	172	-46.3	-19.1	0	0	0	116.2
252	V	33.6	Very low	33.2	Very low	138 Å²	138	152.1 Å²	152.1	84%	0.836	82%	0.819	S	S	*	*			trans	-131	86.4	147.7	-176.2	0	0	0	0	108.2	I254	V252-I254 PolarHBondContact O-N 3.08Å
253	S	33.7	Very low	32.9	Very low	113 Å²	113	153 Å²	153	79%	0.79	82%	0.816	S	S	*	*			trans	-70.4	108.7	166.9	47.3	0	0	0	0	109.2	S255	S253-S255 PolarHBondContact O-N 2.89Å
254	I	29.9	Very low	32.4	Very low	150 Å²	150	149.5 Å²	149.5	77%	0.769	81%	0.81	S	S	*	*			trans	-65.5	111.7	171.7	-62.6	162.6	0	0	0	107.4	V252 E256	V252-I254 PolarHBondContact O-N 3.08Å; I254-E256 HydrophobicContact CG2-CG 4.3Å
255	S	30.5	Very low	32.6	Very low	109 Å²	109	145.8 Å²	145.8	76%	0.762	79%	0.79	S	S	*	*			trans	-106.6	109.8	166.9	49.1	0	0	0	0	108.8	S253 S257	S253-S255 PolarHBondContact O-N 2.89Å; S255-S257 PolarHBondContact O-N 3.4Å
256	E	30.7	Very low	33	Very low	183 Å²	183	142.6 Å²	142.6	86%	0.855	78%	0.78	S	S	*	*			trans	-75.6	112.1	172.2	-66.5	175.4	152.1	0	0	109.1	I254	I254-E256 HydrophobicContact CG2-CG 4.3Å
257	S	31.4	Very low	34.2	Very low	103 Å²	103	140.2 Å²	140.2	72%	0.72	77%	0.77	S	S	*	*			trans	-146.5	58.9	164.7	60	0	0	0	0	111.2	S255 F259	S255-S257 PolarHBondContact O-N 3.4Å; S257-F259 PolarHBondContact O-N 3.23Å
258	N	31.4	Very low	35.6	Very low	166 Å²	166	134.1 Å²	134.1	89%	0.888	74%	0.744	S	S	*	*			trans	-81.6	52.9	174	-78	-25.8	0	0	0	113
259	F	29.5	Very low	38	Very low	211 Å²	211	128.7 Å²	128.7	93%	0.925	72%	0.722	S	S	*	*			trans	-132.1	57.6	167.6	-114.8	-89.6	0	0	0	109.9	S257 S261	S257-F259 PolarHBondContact O-N 3.23Å; F259-S261 PolarHBondContact O-N 3.48Å
260	S	33.5	Very low	40.7	Very low	107 Å²	107	123.8 Å²	123.8	75%	0.748	69%	0.685	S	S	*	*			trans	-77.1	109.7	167.6	-161.2	0	0	0	0	107.7
261	S	33.3	Very low	43.8	Very low	89 Å²	89	114.8 Å²	114.8	62%	0.622	65%	0.647	S	S	*	*			trans	-32	134	169.6	44.9	0	0	0	0	111.8	F259 K263	F259-S261 PolarHBondContact O-N 3.48Å; S261-K263 PolarHBondContact O-N 2.71Å
262	S	34.8	Very low	46.9	Very low	115 Å²	115	107.6 Å²	107.6	80%	0.804	61%	0.608	S	S	*	*			trans	-53.8	88.9	168.2	-176.1	0	0	0	0	108.4	T264	S262-T264 PolarHBondContact O-N 2.91Å
263	K	35	Very low	50	Low	178 Å²	178	101.5 Å²	101.5	77%	0.774	57%	0.571	S	S	*	*			trans	-64.7	95.4	168.4	-87	-178.4	175.6	177.3	0	104.8	S261 L265	S261-K263 PolarHBondContact O-N 2.71Å; K263-L265 PolarHBondContact O-N 3.17Å
264	T	32.4	Very low	53.1	Low	113 Å²	113	96.1 Å²	96.1	69%	0.693	53%	0.533	S	S	*	.			trans	-41.5	116.5	165	47.9	0	0	0	0	107.2	S262	S262-T264 PolarHBondContact O-N 2.91Å
265	L	39.2	Very low	56.3	Low	81 Å²	81	89 Å²	89	42%	0.424	50%	0.497	S	S	.	.			trans	-49.6	131.4	-178.8	-152.6	80.9	0	0	0	107.9	V219 T221 K263 F267	V219-L265 HydrophobicContact CB-CD2 4.29Å; T221-L265 HydrophobicContact CG2-CD1 4.32Å; K263-L265 PolarHBondContact O-N 3.17Å; L265-F267 PolarHBondContact O-N 2.91Å; L265-F267 VanDerWaalsContact O-N 3.1Å
266	P	43.5	Very low	59.5	Low	99 Å²	99	86.1 Å²	86.1	64%	0.643	48%	0.476	S	S	*	.			trans	-52.3	125	-177.9	18.9	-31.4	0	0	0	109.5	H268	P266-H268 PolarHBondContact O-CE1 3.13Å; P266-H268 PolarHBondContact O-N 3.1Å; P266-H268 PolarHBondContact O-ND1 3.19Å
267	F	56	Low	62.7	Low	157 Å²	157	78 Å²	78	69%	0.689	44%	0.44	S	S	*	.			trans	-56.9	111.8	176.3	-77.3	-87.8	0	0	0	108.4	L265	L265-F267 PolarHBondContact O-N 2.91Å; L265-F267 VanDerWaalsContact O-N 3.1Å
268	H	65.6	Low	65.8	Low	70 Å²	70	74.8 Å²	74.8	32%	0.324	42%	0.422	S	S	.	.			trans	-73.4	136.2	178.1	-60.2	59.8	0	0	0	108.6	E191 R216 P266	E191-H268 HydrophobicContact CG-CB 4.36Å; E191-H268 IonicContact OE1-CD2 3.62Å; E191-H268 PolarHBondContact OE1-CD2 2.93Å; R216-H268 PolarHBondContact NH1-O 3.3Å; P266-H268 PolarHBondContact O-CE1 3.13Å; P266-H268 PolarHBondContact O-N 3.1Å; P266-H268 PolarHBondContact O-ND1 3.19Å
269	S	80.6	Confident	69	Low	62 Å²	62	67 Å²	67	43%	0.434	38%	0.38	S	S	.	.			trans	-53.7	148.1	178.9	33.8	0	0	0	0	111.7	E191 T297	E191-S269 WeakPolarHBondContact CA-O 3.32Å; S269-T297 WeakPolarHBondContact CB-OG1 3.47Å
270	R	89.9	Confident	72.2	Confident	12 Å²	12	59.8 Å²	59.8	5%	0.045	35%	0.352	C	S	.	.			trans	-125.1	124.2	170.9	-76.6	-179	170.1	175.8	-9.2	108.9	F184 E191 L212 G294 I296 T297 D298	F184-R270 HydrophobicContact CD1-CG 4.33Å; F184-R270 HydrophobicContact CE1-CB 4.34Å; F184-R270 HydrophobicContact CE1-CG 4.02Å; F184-R270 PolarHBondContact O-NH2 2.86Å; F184-R270 VanDerWaalsContact O-NH2 3.15Å; E191-R270 CarbonylContact O-C 3.57Å; E191-R270 VanDerWaalsContact O-CA 3.26Å; E191-R270 WeakPolarHBondContact O-CA 3.37Å; L212-R270 PolarHBondContact O-NH1 2.78Å; R270-G294 WeakPolarHBondContact CD-O 3.47Å; R270-G294 PolarHBondContact NH1-O 2.93Å; R270-G294 VanDerWaalsContact NH1-O 3.1Å; R270-I296 HydrophobicContact CB-CD1 3.73Å; R270-I296 CarbonylContact O-C 3.49Å; R270-I296 WeakPolarHBondContact O-CA 3.25Å; R270-T297 PolarHBondContact N-OG1 3Å; R270-T297 VanDerWaalsContact N-OG1 3.13Å; R270-T297 PolarHBondContact O-N 3.4Å; R270-T297 PolarHBondContact O-OG1 3.22Å; R270-D298 PolarHBondContact O-N 2.86Å
271	G	94.1	Very high	75.2	Confident	3 Å²	3	55.5 Å²	55.5	3%	0.031	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	142.6	179.7	0	0	0	0	0	112.2	E191 W192 L193 D298	E191-G271 PolarHBondContact O-N 2.97Å; W192-G271 WeakPolarHBondContact CA-O 3.27Å; W192-G271 VanDerWaalsContact CE3-CA 3.45Å; L193-G271 PolarHBondContact N-O 2.83Å; G271-D298 CarbonylContact C-O 3.21Å; G271-D298 WeakPolarHBondContact CA-O 3.49Å
272	L	96.9	Very high	78.2	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	125	-179.7	-89.3	169.8	0	0	0	109.8	F184 L193 L212 L274 F291 I296 D298 L299 R300	F184-L272 HydrophobicContact CE2-CD1 4.29Å; F184-L272 HydrophobicContact CE2-CD2 3.73Å; F184-L272 HydrophobicContact CE2-CG 3.96Å; F184-L272 HydrophobicContact CZ-CD2 4.29Å; F184-L272 HydrophobicContact CZ-CG 4.2Å; L193-L272 HydrophobicContact CB-CD2 3.9Å; L193-L272 HydrophobicContact CD2-CD2 4.13Å; L193-L272 HydrophobicContact CG-CD2 4.23Å; L193-L272 WeakPolarHBondContact O-CA 3.49Å; L212-L272 HydrophobicContact CD1-CD1 3.84Å; L212-L272 HydrophobicContact CD2-CD1 4.41Å; L272-L274 HydrophobicContact CD2-CD2 4.29Å; L272-F291 HydrophobicContact CD1-CD1 4.07Å; L272-F291 HydrophobicContact CD1-CE1 3.58Å; L272-I296 HydrophobicContact CD1-CD1 3.8Å; L272-I296 HydrophobicContact CD1-CG1 4.41Å; L272-I296 HydrophobicContact CG-CD1 4.34Å; L272-D298 PolarHBondContact N-O 2.9Å; L272-L299 HydrophobicContact CB-CD1 4.26Å; L272-R300 PolarHBondContact O-N 2.84Å
273	H	98.1	Very high	81.2	Confident	10 Å²	10	54.8 Å²	54.8	5%	0.046	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	112.7	169.9	-170.2	-4.7	0	0	0	110.4	W192 L193 D194 L195 R196 G275 R300	W192-H273 HydrophobicContact CH2-CB 4.09Å; W192-H273 HydrophobicContact CZ2-CB 3.61Å; L193-H273 PolarHBondContact O-N 2.9Å; D194-H273 HydrophobicContact CB-CB 4.25Å; D194-H273 IonicContact OD1-CD2 3.5Å; D194-H273 IonicContact OD1-CG 3.84Å; D194-H273 IonicContact OD2-CD2 3.63Å; D194-H273 PolarHBondContact OD2-CD2 2.88Å; D194-H273 VanDerWaalsContact OD2-CD2 3.22Å; D194-H273 IonicContact OD2-CG 3.42Å; L195-H273 PolarHBondContact N-O 3.3Å; R196-H273 WeakPolarHBondContact CD-NE2 3.38Å; R196-H273 PolarHBondContact N-O 2.88Å; H273-G275 PolarHBondContact ND1-N 3Å; H273-R300 HydrophobicContact CB-CB 4.19Å
274	L	98.2	Very high	84.2	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	26%	0.26	C	S	.	.			trans	-127.3	42.4	-177	-52	171.9	0	0	0	109.7	L195 L200 L272 T277 I279 L287 F291 R300 L301 N304	L195-L274 HydrophobicContact CB-CD2 4Å; L195-L274 HydrophobicContact CD1-CD2 4.34Å; L200-L274 HydrophobicContact CD1-CD2 3.87Å; L272-L274 HydrophobicContact CD2-CD2 4.29Å; L274-T277 HydrophobicContact CB-CG2 4.25Å; L274-T277 PolarHBondContact O-OG1 2.84Å; L274-I279 HydrophobicContact CB-CD1 3.82Å; L274-I279 HydrophobicContact CD1-CD1 3.61Å; L274-I279 HydrophobicContact CG-CD1 4.22Å; L274-L287 HydrophobicContact CD1-CD2 3.83Å; L274-F291 HydrophobicContact CD1-CE1 4.41Å; L274-F291 HydrophobicContact CD1-CZ 3.95Å; L274-R300 PolarHBondContact N-O 3.21Å; L274-L301 HydrophobicContact CB-CD2 4.02Å; L274-L301 HydrophobicContact CD1-CD2 4.36Å; L274-N304 PolarHBondContact O-ND2 3.43Å; L274-N304 PolarHBondContact O-OD1 3.17Å
275	G	97.9	Very high	87.4	Confident	1 Å²	1	45.9 Å²	45.9	1%	0.01	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	147.7	-179.7	0	0	0	0	0	111.8	R196 E197 H273 T277 P302	R196-G275 CarbonylContact C-O 3.18Å; R196-G275 WeakPolarHBondContact CA-O 3.36Å; R196-G275 VanDerWaalsContact CB-O 3.24Å; R196-G275 WeakPolarHBondContact CB-O 3.37Å; E197-G275 PolarHBondContact N-O 2.83Å; H273-G275 PolarHBondContact ND1-N 3Å; G275-T277 WeakPolarHBondContact O-CG2 3.36Å; G275-T277 PolarHBondContact O-N 2.9Å; G275-T277 VanDerWaalsContact O-N 3.15Å; G275-P302 CarbonylContact C-O 3.59Å; G275-P302 WeakPolarHBondContact CA-O 3.28Å
276	C	97.5	Very high	90.1	Very high	48 Å²	48	43.7 Å²	43.7	32%	0.324	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.3	37	-179.3	-45.2	0	0	0	0	113.4	E197 P302 D303	E197-C276 WeakPolarHBondContact CA-O 3.42Å; E197-C276 HydrophobicContact CB-CB 4.34Å; E197-C276 HydrophobicContact CG-CB 3.42Å; E197-C276 VanDerWaalsContact CG-CB 3.42Å; C276-P302 PolarHBondContact N-O 3.41Å; C276-D303 WeakPolarHBondContact CA-O 3.47Å; C276-D303 PolarHBondContact N-O 3.23Å; C276-D303 PolarHBondContact SG-OD2 2.95Å
277	T	97.9	Very high	92.7	Very high	14 Å²	14	39 Å²	39	9%	0.086	21%	0.21	C	C	.	.	S	Bend	trans	-108.4	-2.7	178.3	60.2	0	0	0	0	113	L195 N198 L200 L274 G275 I279 N304	L195-T277 VanDerWaalsContact O-CG2 3.28Å; L195-T277 WeakPolarHBondContact O-CG2 3Å; N198-T277 WeakPolarHBondContact O-CA 3.47Å; N198-T277 WeakPolarHBondContact O-CG2 3.14Å; L200-T277 HydrophobicContact CD1-CG2 3.95Å; L200-T277 HydrophobicContact CG-CG2 4.32Å; L274-T277 HydrophobicContact CB-CG2 4.25Å; L274-T277 PolarHBondContact O-OG1 2.84Å; G275-T277 WeakPolarHBondContact O-CG2 3.36Å; G275-T277 PolarHBondContact O-N 2.9Å; G275-T277 VanDerWaalsContact O-N 3.15Å; T277-I279 VanDerWaalsContact C-N 3.3Å; T277-I279 PolarHBondContact O-N 3.36Å; T277-I279 VanDerWaalsContact OG1-CD1 3.29Å; T277-I279 WeakPolarHBondContact OG1-CD1 3.47Å; T277-I279 VanDerWaalsContact OG1-CG1 3.26Å; T277-I279 WeakPolarHBondContact OG1-CG1 3.45Å; T277-N304 PolarHBondContact N-OD1 3.21Å; T277-N304 PolarHBondContact OG1-OD1 2.79Å; T277-N304 VanDerWaalsContact OG1-OD1 3.05Å
278	G	96.7	Very high	94.6	Very high	35 Å²	35	31.9 Å²	31.9	36%	0.361	18%	0.179	S	C	.	.			trans	71.9	20	-177.1	0	0	0	0	0	114	N280 N304	G278-N280 VanDerWaalsContact C-N 3.32Å; G278-N280 PolarHBondContact O-N 2.8Å; G278-N304 PolarHBondContact N-OD1 2.85Å
279	I	97.7	Very high	96	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.005	18%	0.177	C	C	.	.			trans	-75.7	86.1	178.2	-64	173.2	0	0	0	110	L200 L274 T277 L283 L284 L287 L301 N304 I306	L200-I279 HydrophobicContact CD1-CD1 4.29Å; L274-I279 HydrophobicContact CB-CD1 3.82Å; L274-I279 HydrophobicContact CD1-CD1 3.61Å; L274-I279 HydrophobicContact CG-CD1 4.22Å; T277-I279 VanDerWaalsContact C-N 3.3Å; T277-I279 PolarHBondContact O-N 3.36Å; T277-I279 VanDerWaalsContact OG1-CD1 3.29Å; T277-I279 WeakPolarHBondContact OG1-CD1 3.47Å; T277-I279 VanDerWaalsContact OG1-CG1 3.26Å; T277-I279 WeakPolarHBondContact OG1-CG1 3.45Å; I279-L283 HydrophobicContact CG2-CB 4.32Å; I279-L284 HydrophobicContact CG2-CB 4.13Å; I279-L284 HydrophobicContact CG2-CD1 4.19Å; I279-L287 HydrophobicContact CD1-CD2 4.02Å; I279-L287 HydrophobicContact CG2-CD2 4.24Å; I279-L301 HydrophobicContact CG2-CD2 4.41Å; I279-N304 PolarHBondContact N-OD1 2.87Å; I279-I306 WeakPolarHBondContact O-CG1 3.47Å
280	N	97.3	Very high	96.7	Very high	61 Å²	61	27.8 Å²	27.8	33%	0.326	16%	0.157	S	C	.	.			trans	-130.5	-179.3	170.9	60	44.3	0	0	0	110.4	G278 K282 L283 L284 N304 I306	G278-N280 VanDerWaalsContact C-N 3.32Å; G278-N280 PolarHBondContact O-N 2.8Å; N280-K282 PolarHBondContact O-N 3.38Å; N280-L283 PolarHBondContact O-N 3.22Å; N280-L284 PolarHBondContact O-N 3.26Å; N280-L284 VanDerWaalsContact O-N 3.17Å; N280-N304 WeakPolarHBondContact CB-O 3.46Å; N280-N304 PolarHBondContact ND2-O 3.03Å; N280-I306 HydrophobicContact CB-CG1 4.29Å
281	G	97	Very high	96.8	Very high	16 Å²	16	27.2 Å²	27.2	17%	0.165	16%	0.155	C	C	.	.	H	α-helix	trans	49.7	-124.3	171.6	0	0	0	0	0	114.5	L283 L284 H285 D310	G281-L283 VanDerWaalsContact C-N 3.33Å; G281-L283 PolarHBondContact O-N 3.42Å; G281-L284 PolarHBondContact O-N 3.19Å; G281-H285 WeakPolarHBondContact O-CB 3.1Å; G281-H285 PolarHBondContact O-N 3.47Å; G281-D310 WeakPolarHBondContact CA-OD1 3.47Å; G281-D310 PolarHBondContact N-OD1 3.46Å; G281-D310 PolarHBondContact N-OD2 2.91Å
282	K	96.5	Very high	96.7	Very high	149 Å²	149	31 Å²	31	65%	0.648	17%	0.168	S	C	*	.	H	α-helix	trans	-62.9	-35.1	-178.7	-174.2	178.7	178.8	-178.4	0	113	N280 T286	N280-K282 PolarHBondContact O-N 3.38Å; K282-T286 WeakPolarHBondContact O-CB 3.49Å; K282-T286 PolarHBondContact O-N 3.38Å; K282-T286 PolarHBondContact O-OG1 3.49Å
283	L	97.9	Very high	96.3	Very high	41 Å²	41	35.1 Å²	35.1	22%	0.215	19%	0.19	C	C	.	.	H	α-helix	trans	-67.1	-48.9	179.3	-64	-178.4	0	0	0	110.1	L202 V205 I279 N280 G281 H285 T286 L287	L202-L283 HydrophobicContact CB-CD2 3.98Å; L202-L283 HydrophobicContact CD1-CD2 3.61Å; L202-L283 HydrophobicContact CG-CD2 4.41Å; V205-L283 HydrophobicContact CB-CD2 4.45Å; V205-L283 WeakPolarHBondContact CG1-O 3.44Å; V205-L283 HydrophobicContact CG2-CD2 4.37Å; I279-L283 HydrophobicContact CG2-CB 4.32Å; N280-L283 PolarHBondContact O-N 3.22Å; G281-L283 VanDerWaalsContact C-N 3.33Å; G281-L283 PolarHBondContact O-N 3.42Å; L283-H285 PolarHBondContact O-N 2.79Å; L283-T286 PolarHBondContact O-N 3.09Å; L283-L287 WeakPolarHBondContact O-CB 3.48Å; L283-L287 PolarHBondContact O-N 3.35Å; L283-L287 VanDerWaalsContact O-N 3.08Å
284	L	98.2	Very high	95.8	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-57.8	-51.1	175.6	-177.3	63.8	0	0	0	110.6	I279 N280 G281 T286 L287 I288 L301 I306 D310 L314	I279-L284 HydrophobicContact CG2-CB 4.13Å; I279-L284 HydrophobicContact CG2-CD1 4.19Å; N280-L284 PolarHBondContact O-N 3.26Å; N280-L284 VanDerWaalsContact O-N 3.17Å; G281-L284 PolarHBondContact O-N 3.19Å; L284-T286 VanDerWaalsContact C-N 3.25Å; L284-T286 PolarHBondContact O-N 3.22Å; L284-L287 PolarHBondContact O-N 3.49Å; L284-I288 HydrophobicContact CD1-CD1 4.24Å; L284-I288 HydrophobicContact CD1-CG1 4.38Å; L284-I288 HydrophobicContact CG-CG1 4.38Å; L284-I288 VanDerWaalsContact O-CG1 3.3Å; L284-I288 WeakPolarHBondContact O-CG1 3.07Å; L284-I288 PolarHBondContact O-N 2.87Å; L284-I288 VanDerWaalsContact O-N 3.08Å; L284-L301 HydrophobicContact CD1-CD1 3.87Å; L284-I306 HydrophobicContact CD2-CD1 4.11Å; L284-I306 HydrophobicContact CD2-CG1 4.23Å; L284-I306 HydrophobicContact CD2-CG2 4Å; L284-D310 HydrophobicContact CD2-CB 4.23Å; L284-L314 HydrophobicContact CD1-CD2 4.48Å; L284-L314 HydrophobicContact CD2-CD2 4.5Å; L284-L314 HydrophobicContact CD2-CG 4.5Å
285	H	97.8	Very high	95.1	Very high	103 Å²	103	36.7 Å²	36.7	48%	0.477	20%	0.201	S	C	.	.	H	α-helix	trans	-54	-41	178.1	178.9	-122	0	0	0	113	G281 L283 L287 P289 F313	G281-H285 WeakPolarHBondContact O-CB 3.1Å; G281-H285 PolarHBondContact O-N 3.47Å; L283-H285 PolarHBondContact O-N 2.79Å; H285-L287 VanDerWaalsContact C-N 3.31Å; H285-L287 PolarHBondContact O-N 2.87Å; H285-P289 WeakPolarHBondContact O-CD 3.38Å; H285-F313 HydrophobicContact CB-CD1 3.92Å; H285-F313 HydrophobicContact CB-CD2 3.92Å; H285-F313 HydrophobicContact CB-CE1 3.93Å; H285-F313 HydrophobicContact CB-CE2 3.95Å; H285-F313 HydrophobicContact CB-CG 3.91Å; H285-F313 HydrophobicContact CB-CZ 3.95Å; H285-F313 AromaticContact CD2-CD1 3.31Å; H285-F313 WeakPolarHBondContact CD2-CD1 3.46Å; H285-F313 AromaticContact CD2-CE1 3.49Å; H285-F313 VanDerWaalsContact CD2-CE1 3.49Å; H285-F313 WeakPolarHBondContact CD2-CE1 3.49Å; H285-F313 AromaticContact CG-CD1 3.84Å; H285-F313 AromaticContact CG-CE1 3.74Å
286	T	97.8	Very high	94.8	Very high	35 Å²	35	36.6 Å²	36.6	22%	0.215	20%	0.201	C	C	.	.	H	α-helix	trans	-68.7	-30.6	179.2	-57.4	0	0	0	0	112.3	V205 Q206 S209 K282 L283 L284	V205-T286 HydrophobicContact CG1-CG2 4.25Å; Q206-T286 HydrophobicContact CG-CG2 3.74Å; S209-T286 WeakPolarHBondContact CB-O 3.49Å; S209-T286 PolarHBondContact OG-O 3.33Å; K282-T286 WeakPolarHBondContact O-CB 3.49Å; K282-T286 PolarHBondContact O-N 3.38Å; K282-T286 PolarHBondContact O-OG1 3.49Å; L283-T286 PolarHBondContact O-N 3.09Å; L284-T286 VanDerWaalsContact C-N 3.25Å; L284-T286 PolarHBondContact O-N 3.22Å
287	L	96.9	Very high	94.5	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-86.8	-28.2	-173.9	-162.5	51.7	0	0	0	113.8	V205 L208 L274 I279 L283 L284 H285 G290 F291	V205-L287 HydrophobicContact CG1-CB 3.88Å; V205-L287 HydrophobicContact CG1-CD1 4.17Å; V205-L287 HydrophobicContact CG1-CD2 4.38Å; V205-L287 HydrophobicContact CG1-CG 4.35Å; L208-L287 HydrophobicContact CB-CD1 4.33Å; L208-L287 HydrophobicContact CD2-CD1 4.07Å; L208-L287 HydrophobicContact CG-CD1 4.14Å; L274-L287 HydrophobicContact CD1-CD2 3.83Å; I279-L287 HydrophobicContact CD1-CD2 4.02Å; I279-L287 HydrophobicContact CG2-CD2 4.24Å; L283-L287 WeakPolarHBondContact O-CB 3.48Å; L283-L287 PolarHBondContact O-N 3.35Å; L283-L287 VanDerWaalsContact O-N 3.08Å; L284-L287 PolarHBondContact O-N 3.49Å; H285-L287 VanDerWaalsContact C-N 3.31Å; H285-L287 PolarHBondContact O-N 2.87Å; L287-G290 WeakPolarHBondContact O-CA 3.45Å; L287-G290 PolarHBondContact O-N 2.77Å; L287-F291 HydrophobicContact CB-CE2 4.3Å; L287-F291 HydrophobicContact CB-CZ 4.3Å; L287-F291 HydrophobicContact CD1-CE1 4.05Å; L287-F291 HydrophobicContact CD1-CZ 4.3Å; L287-F291 HydrophobicContact CD2-CE1 3.71Å; L287-F291 HydrophobicContact CD2-CE2 3.85Å; L287-F291 HydrophobicContact CD2-CZ 3.17Å; L287-F291 HydrophobicContact CG-CD1 4.19Å; L287-F291 HydrophobicContact CG-CD2 4.4Å; L287-F291 HydrophobicContact CG-CE1 3.51Å; L287-F291 HydrophobicContact CG-CE2 3.76Å; L287-F291 HydrophobicContact CG-CZ 3.31Å; L287-F291 PolarHBondContact O-N 3.35Å; L287-F291 VanDerWaalsContact O-N 3.14Å
288	I	96.3	Very high	94.3	Very high	9 Å²	9	34.7 Å²	34.7	5%	0.046	19%	0.188	C	C	.	.	H	α-helix	trans	-52.8	-44.3	-177.9	-72.3	-72.1	0	0	0	114.3	L284 G290 F291 R292 F313 L314 L317	L284-I288 HydrophobicContact CD1-CD1 4.24Å; L284-I288 HydrophobicContact CD1-CG1 4.38Å; L284-I288 HydrophobicContact CG-CG1 4.38Å; L284-I288 VanDerWaalsContact O-CG1 3.3Å; L284-I288 WeakPolarHBondContact O-CG1 3.07Å; L284-I288 PolarHBondContact O-N 2.87Å; L284-I288 VanDerWaalsContact O-N 3.08Å; I288-G290 PolarHBondContact O-N 3.3Å; I288-F291 HydrophobicContact CD1-CD2 4.2Å; I288-F291 PolarHBondContact O-N 3.17Å; I288-F291 VanDerWaalsContact O-N 3.16Å; I288-R292 WeakPolarHBondContact O-CB 3.13Å; I288-R292 PolarHBondContact O-N 2.82Å; I288-F313 WeakPolarHBondContact CD1-O 3.27Å; I288-F313 HydrophobicContact CG1-CB 4.23Å; I288-F313 WeakPolarHBondContact CG1-O 3.15Å; I288-F313 WeakPolarHBondContact CG2-O 3.09Å; I288-L314 HydrophobicContact CD1-CD2 3.89Å; I288-L317 HydrophobicContact CD1-CB 4.21Å; I288-L317 HydrophobicContact CD1-CD2 4.14Å
289	P	94.5	Very high	94.3	Very high	45 Å²	45	33 Å²	33	29%	0.292	17%	0.17	S	C	.	.	H	α-helix	trans	-57.4	-36.8	175.8	-26.1	35.5	0	0	0	112.7	H285 L293	H285-P289 WeakPolarHBondContact O-CD 3.38Å; P289-L293 WeakPolarHBondContact O-CB 3.47Å; P289-L293 WeakPolarHBondContact O-CG 3.28Å; P289-L293 PolarHBondContact O-N 2.85Å; P289-L293 VanDerWaalsContact O-N 3.13Å
290	G	94.7	Very high	94.3	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-62.2	-49.6	173.3	0	0	0	0	0	112.5	S209 L287 I288 R292 G294	S209-G290 WeakPolarHBondContact O-CA 3.3Å; S209-G290 PolarHBondContact OG-N 2.84Å; L287-G290 WeakPolarHBondContact O-CA 3.45Å; L287-G290 PolarHBondContact O-N 2.77Å; I288-G290 PolarHBondContact O-N 3.3Å; G290-R292 PolarHBondContact O-N 2.56Å; G290-G294 VanDerWaalsContact O-CA 3.31Å; G290-G294 WeakPolarHBondContact O-CA 3.27Å; G290-G294 PolarHBondContact O-N 2.89Å
291	F	93.7	Very high	94.4	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-62.2	-45.3	178.8	-61.6	-24.4	0	0	0	113	L212 L272 L274 L287 I288 I296 L299 L301 L317	L212-F291 HydrophobicContact CD1-CD1 3.95Å; L212-F291 HydrophobicContact CD1-CE1 4.23Å; L272-F291 HydrophobicContact CD1-CD1 4.07Å; L272-F291 HydrophobicContact CD1-CE1 3.58Å; L274-F291 HydrophobicContact CD1-CE1 4.41Å; L274-F291 HydrophobicContact CD1-CZ 3.95Å; L287-F291 HydrophobicContact CB-CE2 4.3Å; L287-F291 HydrophobicContact CB-CZ 4.3Å; L287-F291 HydrophobicContact CD1-CE1 4.05Å; L287-F291 HydrophobicContact CD1-CZ 4.3Å; L287-F291 HydrophobicContact CD2-CE1 3.71Å; L287-F291 HydrophobicContact CD2-CE2 3.85Å; L287-F291 HydrophobicContact CD2-CZ 3.17Å; L287-F291 HydrophobicContact CG-CD1 4.19Å; L287-F291 HydrophobicContact CG-CD2 4.4Å; L287-F291 HydrophobicContact CG-CE1 3.51Å; L287-F291 HydrophobicContact CG-CE2 3.76Å; L287-F291 HydrophobicContact CG-CZ 3.31Å; L287-F291 PolarHBondContact O-N 3.35Å; L287-F291 VanDerWaalsContact O-N 3.14Å; I288-F291 HydrophobicContact CD1-CD2 4.2Å; I288-F291 PolarHBondContact O-N 3.17Å; I288-F291 VanDerWaalsContact O-N 3.16Å; F291-I296 HydrophobicContact CB-CG1 4.24Å; F291-I296 HydrophobicContact CD1-CG1 4.01Å; F291-I296 PolarHBondContact O-N 3.39Å; F291-L299 HydrophobicContact CD1-CD1 4.35Å; F291-L299 HydrophobicContact CD2-CD1 4.05Å; F291-L299 HydrophobicContact CD2-CD2 3.5Å; F291-L299 VanDerWaalsContact CD2-CD2 3.5Å; F291-L299 HydrophobicContact CD2-CG 4.45Å; F291-L299 HydrophobicContact CE1-CD1 3.94Å; F291-L299 HydrophobicContact CE2-CD1 3.6Å; F291-L299 HydrophobicContact CE2-CD2 3.69Å; F291-L299 HydrophobicContact CE2-CG 4.29Å; F291-L299 HydrophobicContact CG-CD1 4.38Å; F291-L299 HydrophobicContact CG-CD2 4.12Å; F291-L299 HydrophobicContact CZ-CD1 3.49Å; F291-L299 VanDerWaalsContact CZ-CD1 3.49Å; F291-L299 HydrophobicContact CZ-CD2 4.42Å; F291-L301 HydrophobicContact CE2-CD1 4.33Å; F291-L317 HydrophobicContact CB-CD1 3.82Å; F291-L317 HydrophobicContact CB-CD2 4.42Å; F291-L317 HydrophobicContact CD2-CD2 4.48Å
292	R	90.9	Very high	94.4	Very high	84 Å²	84	32.2 Å²	32.2	32%	0.317	16%	0.16	S	C	.	.	H	α-helix	trans	-66.9	-45.1	-175.5	-176.9	176.9	64.3	84.4	-2.5	112.4	I288 G290 P316 L317	I288-R292 WeakPolarHBondContact O-CB 3.13Å; I288-R292 PolarHBondContact O-N 2.82Å; G290-R292 PolarHBondContact O-N 2.56Å; R292-P316 VanDerWaalsContact CD-O 3.24Å; R292-P316 WeakPolarHBondContact CD-O 3.03Å; R292-L317 HydrophobicContact CB-CD1 4.22Å
293	L	89.3	Confident	94.5	Very high	86 Å²	86	28.9 Å²	28.9	45%	0.45	15%	0.15	S	C	.	.	H	α-helix	trans	-91.4	-18.6	-176	-62.2	173.1	0	0	0	112.8	R213 P289 C295	R213-L293 HydrophobicContact CB-CB 4.47Å; R213-L293 HydrophobicContact CG-CB 4Å; R213-L293 HydrophobicContact CG-CD1 4.13Å; P289-L293 WeakPolarHBondContact O-CB 3.47Å; P289-L293 WeakPolarHBondContact O-CG 3.28Å; P289-L293 PolarHBondContact O-N 2.85Å; P289-L293 VanDerWaalsContact O-N 3.13Å; L293-C295 VanDerWaalsContact C-N 3.26Å; L293-C295 PolarHBondContact O-N 3.21Å
294	G	87.6	Confident	94.5	Very high	2 Å²	2	27.1 Å²	27.1	2%	0.021	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85	8.1	178.5	0	0	0	0	0	115.1	L212 R270 G290 I296	L212-G294 WeakPolarHBondContact O-CA 3.44Å; R270-G294 WeakPolarHBondContact CD-O 3.47Å; R270-G294 PolarHBondContact NH1-O 2.93Å; R270-G294 VanDerWaalsContact NH1-O 3.1Å; G290-G294 VanDerWaalsContact O-CA 3.31Å; G290-G294 WeakPolarHBondContact O-CA 3.27Å; G290-G294 PolarHBondContact O-N 2.89Å; G294-I296 VanDerWaalsContact C-N 3.35Å; G294-I296 PolarHBondContact O-N 3.11Å
295	C	82.8	Confident	94.5	Very high	40 Å²	40	28.2 Å²	28.2	27%	0.27	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.5	42.4	178.9	-55.5	0	0	0	0	113.8	L293 T297 H323	L293-C295 VanDerWaalsContact C-N 3.26Å; L293-C295 PolarHBondContact O-N 3.21Å; C295-T297 PolarHBondContact O-N 3.02Å; C295-H323 HydrophobicContact CB-CB 4.28Å; C295-H323 VanDerWaalsContact CB-CD2 3.46Å; C295-H323 WeakPolarHBondContact CB-CD2 3.31Å; C295-H323 PolarHBondContact SG-CD2 3.02Å
296	I	91.2	Very high	94.5	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.129	C	C	.	.			trans	-63.5	127.3	173.9	-61.3	-58.5	0	0	0	109.8	L212 R270 L272 F291 G294 D298 L299 L324	L212-I296 HydrophobicContact CD2-CD1 4.01Å; R270-I296 HydrophobicContact CB-CD1 3.73Å; R270-I296 CarbonylContact O-C 3.49Å; R270-I296 WeakPolarHBondContact O-CA 3.25Å; L272-I296 HydrophobicContact CD1-CD1 3.8Å; L272-I296 HydrophobicContact CD1-CG1 4.41Å; L272-I296 HydrophobicContact CG-CD1 4.34Å; F291-I296 HydrophobicContact CB-CG1 4.24Å; F291-I296 HydrophobicContact CD1-CG1 4.01Å; F291-I296 PolarHBondContact O-N 3.39Å; G294-I296 VanDerWaalsContact C-N 3.35Å; G294-I296 PolarHBondContact O-N 3.11Å; I296-D298 WeakPolarHBondContact CG2-O 3.3Å; I296-L299 HydrophobicContact CG2-CB 3.96Å; I296-L324 HydrophobicContact CG2-CD1 4.47Å; I296-L324 WeakPolarHBondContact O-CA 3.45Å; I296-L324 PolarHBondContact O-N 3.24Å
297	T	91.9	Very high	94.6	Very high	19 Å²	19	23.8 Å²	23.8	12%	0.117	13%	0.132	C	C	.	.	S	Bend	trans	-99.5	-34.4	179.1	55.4	0	0	0	0	112.8	S269 R270 C295 H323 K325 Y326	S269-T297 WeakPolarHBondContact CB-OG1 3.47Å; R270-T297 PolarHBondContact N-OG1 3Å; R270-T297 VanDerWaalsContact N-OG1 3.13Å; R270-T297 PolarHBondContact O-N 3.4Å; R270-T297 PolarHBondContact O-OG1 3.22Å; C295-T297 PolarHBondContact O-N 3.02Å; T297-H323 WeakPolarHBondContact CA-O 3.26Å; T297-H323 HydrophobicContact CG2-CB 4.04Å; T297-H323 WeakPolarHBondContact CG2-O 3.12Å; T297-K325 WeakPolarHBondContact O-CA 3.29Å; T297-K325 WeakPolarHBondContact O-CB 3.26Å; T297-K325 PolarHBondContact O-N 3.48Å; T297-Y326 PolarHBondContact O-N 3.13Å
298	D	94.3	Very high	94.6	Very high	3 Å²	3	24.2 Å²	24.2	2%	0.016	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	113	178.5	-174.4	-19.2	0	0	0	109.4	W192 R270 G271 L272 I296 R300 Y326	W192-D298 HydrophobicContact CZ3-CB 3.92Å; R270-D298 PolarHBondContact O-N 2.86Å; G271-D298 CarbonylContact C-O 3.21Å; G271-D298 WeakPolarHBondContact CA-O 3.49Å; L272-D298 PolarHBondContact N-O 2.9Å; I296-D298 WeakPolarHBondContact CG2-O 3.3Å; D298-R300 VanDerWaalsContact OD1-CG 3.26Å; D298-R300 WeakPolarHBondContact OD1-CG 3.28Å; D298-R300 IonicContact OD1-CZ 2.85Å; D298-R300 IonicContact OD1-NE 3.22Å; D298-R300 PolarHBondContact OD1-NE 2.86Å; D298-R300 VanDerWaalsContact OD1-NE 3.08Å; D298-R300 IonicContact OD1-NH2 2.69Å; D298-R300 IonicContact OD2-CZ 3.02Å; D298-R300 IonicContact OD2-NE 2.82Å; D298-R300 PolarHBondContact OD2-NE 3.41Å; D298-R300 IonicContact OD2-NH2 3.21Å; D298-R300 PolarHBondContact OD2-NH2 2.99Å; D298-Y326 HydrophobicContact CB-CD2 3.94Å; D298-Y326 HydrophobicContact CB-CG 4.38Å
299	L	97	Very high	94.7	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	116.8	-179.6	179.5	61	0	0	0	110	L272 F291 I296 L301 L317 L324 Y326 L327 D328	L272-L299 HydrophobicContact CB-CD1 4.26Å; F291-L299 HydrophobicContact CD1-CD1 4.35Å; F291-L299 HydrophobicContact CD2-CD1 4.05Å; F291-L299 HydrophobicContact CD2-CD2 3.5Å; F291-L299 VanDerWaalsContact CD2-CD2 3.5Å; F291-L299 HydrophobicContact CD2-CG 4.45Å; F291-L299 HydrophobicContact CE1-CD1 3.94Å; F291-L299 HydrophobicContact CE2-CD1 3.6Å; F291-L299 HydrophobicContact CE2-CD2 3.69Å; F291-L299 HydrophobicContact CE2-CG 4.29Å; F291-L299 HydrophobicContact CG-CD1 4.38Å; F291-L299 HydrophobicContact CG-CD2 4.12Å; F291-L299 HydrophobicContact CZ-CD1 3.49Å; F291-L299 VanDerWaalsContact CZ-CD1 3.49Å; F291-L299 HydrophobicContact CZ-CD2 4.42Å; I296-L299 HydrophobicContact CG2-CB 3.96Å; L299-L301 HydrophobicContact CD1-CD1 4.24Å; L299-L301 HydrophobicContact CD1-CD2 4.42Å; L299-L301 HydrophobicContact CD1-CG 4.05Å; L299-L301 HydrophobicContact CD2-CD1 3.92Å; L299-L301 HydrophobicContact CG-CD1 4.02Å; L299-L301 HydrophobicContact CG-CG 4.11Å; L299-L317 HydrophobicContact CD2-CD2 3.54Å; L299-L324 HydrophobicContact CB-CD1 3.91Å; L299-Y326 PolarHBondContact N-O 3.17Å; L299-L327 HydrophobicContact CB-CD1 4.22Å; L299-L327 HydrophobicContact CD2-CD1 4.04Å; L299-L327 HydrophobicContact CG-CD1 4.22Å; L299-L327 WeakPolarHBondContact O-CA 3.49Å; L299-D328 PolarHBondContact O-N 3.36Å
300	R	97.8	Very high	94.9	Very high	41 Å²	41	25.3 Å²	25.3	16%	0.155	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	113.8	178.7	-49.2	-173.7	-171.4	172.1	6.3	110.6	W192 L272 H273 L274 D298 D328	W192-R300 HydrophobicContact CH2-CG 4.41Å; L272-R300 PolarHBondContact O-N 2.84Å; H273-R300 HydrophobicContact CB-CB 4.19Å; L274-R300 PolarHBondContact N-O 3.21Å; D298-R300 VanDerWaalsContact OD1-CG 3.26Å; D298-R300 WeakPolarHBondContact OD1-CG 3.28Å; D298-R300 IonicContact OD1-CZ 2.85Å; D298-R300 IonicContact OD1-NE 3.22Å; D298-R300 PolarHBondContact OD1-NE 2.86Å; D298-R300 VanDerWaalsContact OD1-NE 3.08Å; D298-R300 IonicContact OD1-NH2 2.69Å; D298-R300 IonicContact OD2-CZ 3.02Å; D298-R300 IonicContact OD2-NE 2.82Å; D298-R300 PolarHBondContact OD2-NE 3.41Å; D298-R300 IonicContact OD2-NH2 3.21Å; D298-R300 PolarHBondContact OD2-NH2 2.99Å; R300-D328 HydrophobicContact CB-CB 4.16Å; R300-D328 HydrophobicContact CG-CB 4.15Å
301	L	98.2	Very high	95.1	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	15%	0.145	C	C	.	.			trans	-123.3	40	178.4	-65	167.4	0	0	0	112.5	L274 I279 L284 F291 L299 N304 I306 D328 L329 N332	L274-L301 HydrophobicContact CB-CD2 4.02Å; L274-L301 HydrophobicContact CD1-CD2 4.36Å; I279-L301 HydrophobicContact CG2-CD2 4.41Å; L284-L301 HydrophobicContact CD1-CD1 3.87Å; F291-L301 HydrophobicContact CE2-CD1 4.33Å; L299-L301 HydrophobicContact CD1-CD1 4.24Å; L299-L301 HydrophobicContact CD1-CD2 4.42Å; L299-L301 HydrophobicContact CD1-CG 4.05Å; L299-L301 HydrophobicContact CD2-CD1 3.92Å; L299-L301 HydrophobicContact CG-CD1 4.02Å; L299-L301 HydrophobicContact CG-CG 4.11Å; L301-N304 VanDerWaalsContact CA-ND2 3.33Å; L301-N304 WeakPolarHBondContact CA-ND2 3.08Å; L301-N304 PolarHBondContact O-ND2 3.41Å; L301-I306 HydrophobicContact CB-CD1 3.95Å; L301-I306 HydrophobicContact CD1-CD1 4.21Å; L301-D328 CarbonylContact C-O 3.55Å; L301-D328 PolarHBondContact N-O 3.49Å; L301-L329 HydrophobicContact CB-CD2 4.18Å; L301-L329 HydrophobicContact CD1-CD2 4.3Å; L301-N332 PolarHBondContact O-ND2 2.76Å
302	P	97.7	Very high	95.3	Very high	19 Å²	19	31.4 Å²	31.4	12%	0.123	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	148.4	-178.9	31.2	-36	0	0	0	111.3	G275 C276 N304 S330	G275-P302 CarbonylContact C-O 3.59Å; G275-P302 WeakPolarHBondContact CA-O 3.28Å; C276-P302 PolarHBondContact N-O 3.41Å; P302-N304 PolarHBondContact O-N 3.41Å; P302-N304 PolarHBondContact O-ND2 2.98Å; P302-S330 CarbonylContact C-O 3.59Å; P302-S330 WeakPolarHBondContact CA-O 3.44Å; P302-S330 WeakPolarHBondContact CB-O 3.4Å
303	D	97.6	Very high	95.6	Very high	80 Å²	80	29.3 Å²	29.3	43%	0.428	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.3	49.1	171.8	-167.4	21.6	0	0	0	114	C276 S330 R331	C276-D303 WeakPolarHBondContact CA-O 3.47Å; C276-D303 PolarHBondContact N-O 3.23Å; C276-D303 PolarHBondContact SG-OD2 2.95Å; D303-S330 PolarHBondContact N-O 3.26Å; D303-R331 VanDerWaalsContact CA-O 3.25Å; D303-R331 WeakPolarHBondContact CA-O 3.45Å; D303-R331 HydrophobicContact CB-CB 3.9Å
304	N	98.3	Very high	95.9	Very high	4 Å²	4	25.2 Å²	25.2	2%	0.021	14%	0.143	C	C	.	.	S	Bend	trans	-109.7	2.2	177.4	-81.4	-55.8	0	0	0	113.2	L274 T277 G278 I279 N280 L301 P302 I306 N332	L274-N304 PolarHBondContact O-ND2 3.43Å; L274-N304 PolarHBondContact O-OD1 3.17Å; T277-N304 PolarHBondContact N-OD1 3.21Å; T277-N304 PolarHBondContact OG1-OD1 2.79Å; T277-N304 VanDerWaalsContact OG1-OD1 3.05Å; G278-N304 PolarHBondContact N-OD1 2.85Å; I279-N304 PolarHBondContact N-OD1 2.87Å; N280-N304 WeakPolarHBondContact CB-O 3.46Å; N280-N304 PolarHBondContact ND2-O 3.03Å; L301-N304 VanDerWaalsContact CA-ND2 3.33Å; L301-N304 WeakPolarHBondContact CA-ND2 3.08Å; L301-N304 PolarHBondContact O-ND2 3.41Å; P302-N304 PolarHBondContact O-N 3.41Å; P302-N304 PolarHBondContact O-ND2 2.98Å; N304-I306 VanDerWaalsContact C-N 3.28Å; N304-I306 HydrophobicContact CB-CD1 4.26Å; N304-I306 HydrophobicContact CB-CG1 3.98Å; N304-I306 PolarHBondContact O-N 3.28Å; N304-N332 WeakPolarHBondContact CA-OD1 3.36Å; N304-N332 PolarHBondContact N-OD1 3.25Å
305	G	98.1	Very high	96.3	Very high	23 Å²	23	26.1 Å²	26.1	24%	0.237	15%	0.148	C	C	.	.			trans	66	28	-173.8	0	0	0	0	0	113.5	T307 N332	G305-T307 PolarHBondContact O-N 3.05Å; G305-N332 PolarHBondContact N-OD1 2.8Å
306	I	98.7	Very high	96.7	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.149	C	C	.	.			trans	-64.6	117.1	176.2	-61.4	173.2	0	0	0	108.5	I279 N280 L284 L301 N304 D310 L329 N332 L333 L334	I279-I306 WeakPolarHBondContact O-CG1 3.47Å; N280-I306 HydrophobicContact CB-CG1 4.29Å; L284-I306 HydrophobicContact CD2-CD1 4.11Å; L284-I306 HydrophobicContact CD2-CG1 4.23Å; L284-I306 HydrophobicContact CD2-CG2 4Å; L301-I306 HydrophobicContact CB-CD1 3.95Å; L301-I306 HydrophobicContact CD1-CD1 4.21Å; N304-I306 VanDerWaalsContact C-N 3.28Å; N304-I306 HydrophobicContact CB-CD1 4.26Å; N304-I306 HydrophobicContact CB-CG1 3.98Å; N304-I306 PolarHBondContact O-N 3.28Å; I306-D310 HydrophobicContact CG2-CB 3.79Å; I306-L329 HydrophobicContact CD1-CD2 3.99Å; I306-N332 HydrophobicContact CB-CB 4.02Å; I306-N332 WeakPolarHBondContact CB-OD1 3.18Å; I306-N332 WeakPolarHBondContact CG1-OD1 3.4Å; I306-N332 PolarHBondContact N-OD1 2.76Å; I306-L333 CarbonylContact O-C 3.42Å; I306-L333 WeakPolarHBondContact O-CA 3.36Å; I306-L333 PolarHBondContact O-N 3.01Å; I306-L334 HydrophobicContact CG2-CD2 3.95Å; I306-L334 PolarHBondContact O-N 3.07Å
307	T	98.6	Very high	96.7	Very high	45 Å²	45	26.4 Å²	26.4	28%	0.276	15%	0.149	S	C	.	.	B	Isolated β-bridge	trans	-86.8	166.3	-177.4	68.1	0	0	0	0	112	G305 S309 D310 A311 L333	G305-T307 PolarHBondContact O-N 3.05Å; T307-S309 PolarHBondContact O-N 2.85Å; T307-S309 VanDerWaalsContact O-N 3.15Å; T307-S309 PolarHBondContact OG1-N 3.48Å; T307-S309 PolarHBondContact OG1-OG 3.37Å; T307-D310 PolarHBondContact N-OD2 3.44Å; T307-D310 WeakPolarHBondContact O-CB 3.24Å; T307-D310 PolarHBondContact O-N 3.06Å; T307-D310 VanDerWaalsContact OG1-CG 3.26Å; T307-D310 PolarHBondContact OG1-N 3.27Å; T307-D310 PolarHBondContact OG1-OD2 3.38Å; T307-A311 PolarHBondContact O-N 3.21Å; T307-L333 CarbonylContact C-O 3.44Å; T307-L333 WeakPolarHBondContact CA-O 3.23Å; T307-L333 HydrophobicContact CG2-CB 4.49Å
308	G	98.4	Very high	96.7	Very high	8 Å²	8	25.9 Å²	25.9	8%	0.082	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-30.4	170.1	0	0	0	0	0	114.1	D310 A311 L333 L334	G308-D310 VanDerWaalsContact C-N 3.33Å; G308-A311 WeakPolarHBondContact O-CB 3.24Å; G308-A311 PolarHBondContact O-N 3.31Å; G308-L333 PolarHBondContact N-O 3.41Å; G308-L333 VanDerWaalsContact N-O 3.08Å; G308-L334 WeakPolarHBondContact CA-O 3.48Å; G308-L334 PolarHBondContact N-O 3.08Å
309	S	98.2	Very high	96.4	Very high	66 Å²	66	29.8 Å²	29.8	46%	0.462	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-25.5	177.4	76.9	0	0	0	0	113.5	T307 K312	T307-S309 PolarHBondContact O-N 2.85Å; T307-S309 VanDerWaalsContact O-N 3.15Å; T307-S309 PolarHBondContact OG1-N 3.48Å; T307-S309 PolarHBondContact OG1-OG 3.37Å; S309-K312 WeakPolarHBondContact O-CD 3.12Å; S309-K312 WeakPolarHBondContact O-CE 3.42Å; S309-K312 WeakPolarHBondContact O-CG 3.15Å
310	D	98.4	Very high	95.8	Very high	12 Å²	12	37.1 Å²	37.1	6%	0.064	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-22.3	178.2	-61.6	-43.1	0	0	0	112.2	G281 L284 I306 T307 G308 K312 F313	G281-D310 WeakPolarHBondContact CA-OD1 3.47Å; G281-D310 PolarHBondContact N-OD1 3.46Å; G281-D310 PolarHBondContact N-OD2 2.91Å; L284-D310 HydrophobicContact CD2-CB 4.23Å; I306-D310 HydrophobicContact CG2-CB 3.79Å; T307-D310 PolarHBondContact N-OD2 3.44Å; T307-D310 WeakPolarHBondContact O-CB 3.24Å; T307-D310 PolarHBondContact O-N 3.06Å; T307-D310 VanDerWaalsContact OG1-CG 3.26Å; T307-D310 PolarHBondContact OG1-N 3.27Å; T307-D310 PolarHBondContact OG1-OD2 3.38Å; G308-D310 VanDerWaalsContact C-N 3.33Å; D310-K312 PolarHBondContact O-N 3.01Å; D310-F313 HydrophobicContact CB-CD2 4.13Å; D310-F313 HydrophobicContact CB-CE2 4.41Å; D310-F313 VanDerWaalsContact O-CB 3.3Å; D310-F313 WeakPolarHBondContact O-CB 3.33Å; D310-F313 VanDerWaalsContact O-CD2 3.25Å; D310-F313 WeakPolarHBondContact O-CD2 3.41Å; D310-F313 WeakPolarHBondContact O-CG 3.47Å; D310-F313 PolarHBondContact O-N 3.25Å
311	A	98.1	Very high	95.1	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-56.5	-27.4	-178.3	0	0	0	0	0	113.2	T307 G308 F313 L314 L334 T341	T307-A311 PolarHBondContact O-N 3.21Å; G308-A311 WeakPolarHBondContact O-CB 3.24Å; G308-A311 PolarHBondContact O-N 3.31Å; A311-F313 PolarHBondContact O-N 2.94Å; A311-L314 WeakPolarHBondContact O-CB 3.43Å; A311-L314 PolarHBondContact O-N 2.81Å; A311-L334 HydrophobicContact CB-CD2 4.13Å; A311-T341 HydrophobicContact CB-CG2 4.01Å
312	K	97.7	Very high	94.1	Very high	128 Å²	128	37.6 Å²	37.6	56%	0.557	20%	0.199	S	C	*	.	H	α-helix	trans	-59	-28.4	173.9	73.1	-169.9	174.1	-176.4	0	112.9	S309 D310 L314 V315	S309-K312 WeakPolarHBondContact O-CD 3.12Å; S309-K312 WeakPolarHBondContact O-CE 3.42Å; S309-K312 WeakPolarHBondContact O-CG 3.15Å; D310-K312 PolarHBondContact O-N 3.01Å; K312-L314 VanDerWaalsContact C-N 3.31Å; K312-V315 WeakPolarHBondContact O-CB 3.5Å; K312-V315 PolarHBondContact O-N 2.87Å
313	F	97.7	Very high	93.5	Very high	40 Å²	40	39.4 Å²	39.4	18%	0.175	21%	0.206	C	C	.	.	H	α-helix	trans	-73	-24	176.4	-53.4	-45.8	0	0	0	112.3	H285 I288 D310 A311 V315 P316	H285-F313 HydrophobicContact CB-CD1 3.92Å; H285-F313 HydrophobicContact CB-CD2 3.92Å; H285-F313 HydrophobicContact CB-CE1 3.93Å; H285-F313 HydrophobicContact CB-CE2 3.95Å; H285-F313 HydrophobicContact CB-CG 3.91Å; H285-F313 HydrophobicContact CB-CZ 3.95Å; H285-F313 AromaticContact CD2-CD1 3.31Å; H285-F313 WeakPolarHBondContact CD2-CD1 3.46Å; H285-F313 AromaticContact CD2-CE1 3.49Å; H285-F313 VanDerWaalsContact CD2-CE1 3.49Å; H285-F313 WeakPolarHBondContact CD2-CE1 3.49Å; H285-F313 AromaticContact CG-CD1 3.84Å; H285-F313 AromaticContact CG-CE1 3.74Å; I288-F313 WeakPolarHBondContact CD1-O 3.27Å; I288-F313 HydrophobicContact CG1-CB 4.23Å; I288-F313 WeakPolarHBondContact CG1-O 3.15Å; I288-F313 WeakPolarHBondContact CG2-O 3.09Å; D310-F313 HydrophobicContact CB-CD2 4.13Å; D310-F313 HydrophobicContact CB-CE2 4.41Å; D310-F313 VanDerWaalsContact O-CB 3.3Å; D310-F313 WeakPolarHBondContact O-CB 3.33Å; D310-F313 VanDerWaalsContact O-CD2 3.25Å; D310-F313 WeakPolarHBondContact O-CD2 3.41Å; D310-F313 WeakPolarHBondContact O-CG 3.47Å; D310-F313 PolarHBondContact O-N 3.25Å; A311-F313 PolarHBondContact O-N 2.94Å; F313-V315 VanDerWaalsContact C-N 3.33Å; F313-P316 WeakPolarHBondContact O-CD 3.47Å
314	L	96.6	Very high	93.2	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-77.9	-19.6	176.1	-62.8	166.7	0	0	0	112.4	L284 I288 A311 K312 L317 L318 L329 I342	L284-L314 HydrophobicContact CD1-CD2 4.48Å; L284-L314 HydrophobicContact CD2-CD2 4.5Å; L284-L314 HydrophobicContact CD2-CG 4.5Å; I288-L314 HydrophobicContact CD1-CD2 3.89Å; A311-L314 WeakPolarHBondContact O-CB 3.43Å; A311-L314 PolarHBondContact O-N 2.81Å; K312-L314 VanDerWaalsContact C-N 3.31Å; L314-L317 HydrophobicContact CD2-CD2 4.45Å; L314-L317 WeakPolarHBondContact O-CB 3.22Å; L314-L317 PolarHBondContact O-N 3.22Å; L314-L317 VanDerWaalsContact O-N 3.09Å; L314-L318 HydrophobicContact CB-CD1 4.42Å; L314-L318 WeakPolarHBondContact O-CG 3.19Å; L314-L318 PolarHBondContact O-N 2.79Å; L314-L329 HydrophobicContact CD1-CD1 3.7Å; L314-L329 HydrophobicContact CD1-CD2 3.96Å; L314-L329 HydrophobicContact CD2-CD2 4.49Å; L314-I342 HydrophobicContact CD1-CD1 4.3Å
315	V	95.4	Very high	92.9	Very high	20 Å²	20	38 Å²	38	12%	0.121	20%	0.196	C	C	.	.	H	α-helix	trans	-56.6	-47.9	-175.8	176	0	0	0	0	113	K312 F313 L317 L318 R319 T341 A345	K312-V315 WeakPolarHBondContact O-CB 3.5Å; K312-V315 PolarHBondContact O-N 2.87Å; F313-V315 VanDerWaalsContact C-N 3.33Å; V315-L317 VanDerWaalsContact C-N 3.27Å; V315-L317 PolarHBondContact O-N 3.02Å; V315-L318 PolarHBondContact O-N 2.61Å; V315-R319 HydrophobicContact CG1-CG 4.18Å; V315-R319 WeakPolarHBondContact O-CB 3.04Å; V315-R319 WeakPolarHBondContact O-CG 3.14Å; V315-R319 PolarHBondContact O-N 3.45Å; V315-T341 HydrophobicContact CG2-CG2 3.63Å; V315-A345 HydrophobicContact CB-CB 4.38Å; V315-A345 HydrophobicContact CG1-CB 4.09Å; V315-A345 HydrophobicContact CG2-CB 4.17Å
316	P	91.3	Very high	92.6	Very high	46 Å²	46	37.4 Å²	37.4	30%	0.299	19%	0.186	S	C	.	.	H	α-helix	trans	-64.5	-33.2	177.8	-21.8	34.8	0	0	0	112.9	R292 F313 Y320	R292-P316 VanDerWaalsContact CD-O 3.24Å; R292-P316 WeakPolarHBondContact CD-O 3.03Å; F313-P316 WeakPolarHBondContact O-CD 3.47Å; P316-Y320 HydrophobicContact CB-CD2 4.23Å; P316-Y320 WeakPolarHBondContact O-CB 3.26Å; P316-Y320 WeakPolarHBondContact O-CD2 3.35Å; P316-Y320 PolarHBondContact O-N 2.99Å; P316-Y320 VanDerWaalsContact O-N 3.13Å
317	L	90.8	Very high	92.5	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.005	19%	0.186	C	C	.	.	H	α-helix	trans	-65.4	-48.1	176	176.1	68.2	0	0	0	110.1	I288 F291 R292 L299 L314 V315 S321 L324	I288-L317 HydrophobicContact CD1-CB 4.21Å; I288-L317 HydrophobicContact CD1-CD2 4.14Å; F291-L317 HydrophobicContact CB-CD1 3.82Å; F291-L317 HydrophobicContact CB-CD2 4.42Å; F291-L317 HydrophobicContact CD2-CD2 4.48Å; R292-L317 HydrophobicContact CB-CD1 4.22Å; L299-L317 HydrophobicContact CD2-CD2 3.54Å; L314-L317 HydrophobicContact CD2-CD2 4.45Å; L314-L317 WeakPolarHBondContact O-CB 3.22Å; L314-L317 PolarHBondContact O-N 3.22Å; L314-L317 VanDerWaalsContact O-N 3.09Å; V315-L317 VanDerWaalsContact C-N 3.27Å; V315-L317 PolarHBondContact O-N 3.02Å; L317-S321 WeakPolarHBondContact O-CB 3.16Å; L317-S321 PolarHBondContact O-N 2.96Å; L317-L324 HydrophobicContact CD1-CD2 4.36Å; L317-L324 HydrophobicContact CD2-CD2 4.02Å; L317-L324 HydrophobicContact CG-CD2 3.89Å
318	L	91.2	Very high	92.5	Very high	7 Å²	7	36.1 Å²	36.1	4%	0.037	18%	0.178	C	C	.	.	H	α-helix	trans	-66.4	-42.5	179.9	-69.6	172	0	0	0	112.9	L314 V315 L324 L327 I342 A345 L346 F351 L365	L314-L318 HydrophobicContact CB-CD1 4.42Å; L314-L318 WeakPolarHBondContact O-CG 3.19Å; L314-L318 PolarHBondContact O-N 2.79Å; V315-L318 PolarHBondContact O-N 2.61Å; L318-L324 HydrophobicContact CD2-CD2 4.38Å; L318-L327 HydrophobicContact CD2-CD2 3.66Å; L318-I342 HydrophobicContact CD1-CB 4.33Å; L318-I342 HydrophobicContact CD1-CG1 4.28Å; L318-I342 HydrophobicContact CD1-CG2 3.92Å; L318-A345 HydrophobicContact CB-CB 3.97Å; L318-A345 HydrophobicContact CD1-CB 3.86Å; L318-L346 HydrophobicContact CD2-CD2 4.2Å; L318-F351 WeakPolarHBondContact O-CE2 3.2Å; L318-F351 WeakPolarHBondContact O-CZ 3.29Å; L318-L365 HydrophobicContact CD2-CD1 3.93Å
319	R	88	Confident	92.5	Very high	86 Å²	86	35.7 Å²	35.7	33%	0.325	17%	0.174	S	C	.	.	H	α-helix	trans	-78.9	-28.6	-175.6	-68.2	-174	-168.4	168.6	7.2	114.3	V315 A345 C350	V315-R319 HydrophobicContact CG1-CG 4.18Å; V315-R319 WeakPolarHBondContact O-CB 3.04Å; V315-R319 WeakPolarHBondContact O-CG 3.14Å; V315-R319 PolarHBondContact O-N 3.45Å; R319-A345 HydrophobicContact CG-CB 4.25Å; R319-C350 PolarHBondContact O-SG 3.42Å
320	Y	84.7	Confident	92.5	Very high	153 Å²	153	33.2 Å²	33.2	60%	0.6	16%	0.156	S	C	*	.	H	α-helix	trans	-126.1	-6.8	-166.9	-51.9	-66.3	0	0	0	114.5	P316 S322	P316-Y320 HydrophobicContact CB-CD2 4.23Å; P316-Y320 WeakPolarHBondContact O-CB 3.26Å; P316-Y320 WeakPolarHBondContact O-CD2 3.35Å; P316-Y320 PolarHBondContact O-N 2.99Å; P316-Y320 VanDerWaalsContact O-N 3.13Å; Y320-S322 PolarHBondContact O-N 3.37Å
321	S	82.6	Confident	92.5	Very high	12 Å²	12	39 Å²	39	8%	0.084	18%	0.177	C	C	.	.			trans	-76.8	116.8	169.6	-174.8	0	0	0	0	110	L317 H323 L324	L317-S321 WeakPolarHBondContact O-CB 3.16Å; L317-S321 PolarHBondContact O-N 2.96Å; S321-H323 VanDerWaalsContact C-N 3.27Å; S321-H323 PolarHBondContact O-N 3.42Å; S321-L324 PolarHBondContact OG-N 3.23Å
322	S	78.8	Confident	92.5	Very high	40 Å²	40	39.1 Å²	39.1	28%	0.28	18%	0.178	S	C	.	.	S	Bend	trans	-74.1	-17.7	174.8	42.7	0	0	0	0	113.4	Y320	Y320-S322 PolarHBondContact O-N 3.37Å
323	H	84.9	Confident	92.5	Very high	57 Å²	57	37.9 Å²	37.9	26%	0.264	18%	0.177	S	C	.	.	S	Bend	trans	-112	-15.8	-167.4	-58.6	-71.2	0	0	0	114.1	C295 T297 S321 K325	C295-H323 HydrophobicContact CB-CB 4.28Å; C295-H323 VanDerWaalsContact CB-CD2 3.46Å; C295-H323 WeakPolarHBondContact CB-CD2 3.31Å; C295-H323 PolarHBondContact SG-CD2 3.02Å; T297-H323 WeakPolarHBondContact CA-O 3.26Å; T297-H323 HydrophobicContact CG2-CB 4.04Å; T297-H323 WeakPolarHBondContact CG2-O 3.12Å; S321-H323 VanDerWaalsContact C-N 3.27Å; S321-H323 PolarHBondContact O-N 3.42Å; H323-K325 PolarHBondContact O-N 2.93Å; H323-K325 VanDerWaalsContact O-N 3.12Å
324	L	90.9	Very high	92.6	Very high	5 Å²	5	36.1 Å²	36.1	3%	0.026	17%	0.169	C	C	.	.			trans	-65.5	115.8	-177.2	-172.2	70.6	0	0	0	110.5	I296 L299 L317 L318 S321 Y326 L327 G364 L365	I296-L324 HydrophobicContact CG2-CD1 4.47Å; I296-L324 WeakPolarHBondContact O-CA 3.45Å; I296-L324 PolarHBondContact O-N 3.24Å; L299-L324 HydrophobicContact CB-CD1 3.91Å; L317-L324 HydrophobicContact CD1-CD2 4.36Å; L317-L324 HydrophobicContact CD2-CD2 4.02Å; L317-L324 HydrophobicContact CG-CD2 3.89Å; L318-L324 HydrophobicContact CD2-CD2 4.38Å; S321-L324 PolarHBondContact OG-N 3.23Å; L324-Y326 WeakPolarHBondContact CD1-O 3.45Å; L324-L327 HydrophobicContact CD2-CB 4.41Å; L324-L327 HydrophobicContact CD2-CD2 4.47Å; L324-G364 CarbonylContact O-C 3.56Å; L324-L365 HydrophobicContact CD2-CD2 3.91Å; L324-L365 HydrophobicContact CG-CD2 3.81Å
325	K	91.2	Very high	92.6	Very high	50 Å²	50	36.9 Å²	36.9	22%	0.217	18%	0.177	C	C	.	.			trans	-109.4	-39.6	-179.3	-70.7	176.3	170.3	-163.1	0	111.9	T297 H323 I366 R367 D582	T297-K325 WeakPolarHBondContact O-CA 3.29Å; T297-K325 WeakPolarHBondContact O-CB 3.26Å; T297-K325 PolarHBondContact O-N 3.48Å; H323-K325 PolarHBondContact O-N 2.93Å; H323-K325 VanDerWaalsContact O-N 3.12Å; K325-I366 HydrophobicContact CB-CB 4.43Å; K325-I366 HydrophobicContact CB-CD1 3.93Å; K325-I366 HydrophobicContact CB-CG1 4.06Å; K325-I366 HydrophobicContact CD-CD1 3.72Å; K325-I366 HydrophobicContact CG-CD1 3.76Å; K325-I366 HydrophobicContact CG-CG1 4.16Å; K325-I366 WeakPolarHBondContact O-CA 3.43Å; K325-I366 PolarHBondContact O-N 2.87Å; K325-R367 PolarHBondContact O-N 2.96Å; K325-D582 IonicContact NZ-OD2 2.81Å; K325-D582 PolarHBondContact NZ-OD2 3.34Å
326	Y	93.4	Very high	92.8	Very high	9 Å²	9	37.8 Å²	37.8	4%	0.035	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	126.5	-176.2	-49	-94.5	0	0	0	109.3	T297 D298 L299 L324 I366 R367 S579 D582	T297-Y326 PolarHBondContact O-N 3.13Å; D298-Y326 HydrophobicContact CB-CD2 3.94Å; D298-Y326 HydrophobicContact CB-CG 4.38Å; L299-Y326 PolarHBondContact N-O 3.17Å; L324-Y326 WeakPolarHBondContact CD1-O 3.45Å; Y326-I366 HydrophobicContact CE1-CG2 4.4Å; Y326-R367 HydrophobicContact CD1-CB 3.8Å; Y326-R367 HydrophobicContact CD1-CG 3.61Å; Y326-R367 HydrophobicContact CE1-CB 4.39Å; Y326-R367 HydrophobicContact CE1-CG 3.69Å; Y326-S579 PolarHBondContact OH-O 3.08Å; Y326-D582 PolarHBondContact OH-OD1 2.94Å
327	L	96.4	Very high	93.1	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	114.8	175	-178.2	61.1	0	0	0	109.7	L299 L318 L324 L329 L365 R367 L368 F369	L299-L327 HydrophobicContact CB-CD1 4.22Å; L299-L327 HydrophobicContact CD2-CD1 4.04Å; L299-L327 HydrophobicContact CG-CD1 4.22Å; L299-L327 WeakPolarHBondContact O-CA 3.49Å; L318-L327 HydrophobicContact CD2-CD2 3.66Å; L324-L327 HydrophobicContact CD2-CB 4.41Å; L324-L327 HydrophobicContact CD2-CD2 4.47Å; L327-L329 HydrophobicContact CD1-CD1 4.45Å; L327-L329 HydrophobicContact CD1-CD2 4.29Å; L327-L329 HydrophobicContact CD1-CG 4.12Å; L327-L329 HydrophobicContact CD2-CD1 3.9Å; L327-L329 HydrophobicContact CD2-CG 4.4Å; L327-L329 HydrophobicContact CG-CD1 4.06Å; L327-L329 HydrophobicContact CG-CG 4.02Å; L327-L365 HydrophobicContact CB-CD1 4.5Å; L327-L365 HydrophobicContact CB-CD2 3.95Å; L327-R367 PolarHBondContact N-O 3.2Å; L327-L368 HydrophobicContact CB-CD1 4.34Å; L327-L368 HydrophobicContact CD2-CD1 4.22Å; L327-L368 HydrophobicContact CG-CD1 4.4Å; L327-F369 PolarHBondContact O-N 3.07Å
328	D	97.9	Very high	93.5	Very high	18 Å²	18	40.9 Å²	40.9	10%	0.096	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	115.4	173.7	-175.5	5.5	0	0	0	111	L299 R300 L301 S330 F369	L299-D328 PolarHBondContact O-N 3.36Å; R300-D328 HydrophobicContact CB-CB 4.16Å; R300-D328 HydrophobicContact CG-CB 4.15Å; L301-D328 CarbonylContact C-O 3.55Å; L301-D328 PolarHBondContact N-O 3.49Å; D328-S330 WeakPolarHBondContact OD1-CB 3.5Å; D328-S330 PolarHBondContact OD1-N 2.8Å; D328-S330 PolarHBondContact OD1-OG 3.05Å; D328-F369 HydrophobicContact CB-CB 4.18Å; D328-F369 HydrophobicContact CB-CD2 4.17Å; D328-F369 HydrophobicContact CB-CG 4.4Å; D328-F369 WeakPolarHBondContact OD1-CB 3.36Å
329	L	98.5	Very high	93.8	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	19%	0.193	C	C	.	.			trans	-120.9	20.4	176.9	-63.5	167.6	0	0	0	111.1	L301 I306 L314 L327 N332 L334 I342 F369 L370 N373	L301-L329 HydrophobicContact CB-CD2 4.18Å; L301-L329 HydrophobicContact CD1-CD2 4.3Å; I306-L329 HydrophobicContact CD1-CD2 3.99Å; L314-L329 HydrophobicContact CD1-CD1 3.7Å; L314-L329 HydrophobicContact CD1-CD2 3.96Å; L314-L329 HydrophobicContact CD2-CD2 4.49Å; L327-L329 HydrophobicContact CD1-CD1 4.45Å; L327-L329 HydrophobicContact CD1-CD2 4.29Å; L327-L329 HydrophobicContact CD1-CG 4.12Å; L327-L329 HydrophobicContact CD2-CD1 3.9Å; L327-L329 HydrophobicContact CD2-CG 4.4Å; L327-L329 HydrophobicContact CG-CD1 4.06Å; L327-L329 HydrophobicContact CG-CG 4.02Å; L329-N332 VanDerWaalsContact C-ND2 3.33Å; L329-N332 PolarHBondContact O-ND2 3.22Å; L329-L334 HydrophobicContact CB-CD1 4.08Å; L329-L334 HydrophobicContact CD1-CD1 4.26Å; L329-I342 HydrophobicContact CD1-CD1 3.61Å; L329-F369 PolarHBondContact N-O 3.08Å; L329-L370 HydrophobicContact CB-CD2 4.21Å; L329-L370 HydrophobicContact CD1-CD2 4.13Å; L329-N373 PolarHBondContact O-ND2 3Å
330	S	98	Very high	94.3	Very high	14 Å²	14	37.3 Å²	37.3	10%	0.098	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	155.3	-176.4	-52.3	0	0	0	0	112.5	P302 D303 D328 N332 F369 S371	P302-S330 CarbonylContact C-O 3.59Å; P302-S330 WeakPolarHBondContact CA-O 3.44Å; P302-S330 WeakPolarHBondContact CB-O 3.4Å; D303-S330 PolarHBondContact N-O 3.26Å; D328-S330 WeakPolarHBondContact OD1-CB 3.5Å; D328-S330 PolarHBondContact OD1-N 2.8Å; D328-S330 PolarHBondContact OD1-OG 3.05Å; S330-N332 PolarHBondContact O-N 2.97Å; S330-N332 PolarHBondContact O-ND2 2.76Å; S330-F369 WeakPolarHBondContact OG-CB 3.4Å; S330-S371 CarbonylContact C-O 3.45Å; S330-S371 WeakPolarHBondContact CA-O 3.33Å
331	R	97.7	Very high	95	Very high	133 Å²	133	31.3 Å²	31.3	50%	0.502	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.2	32.2	177	-62	179.2	179	-170.6	-3.7	114.1	D303 S371 E372	D303-R331 VanDerWaalsContact CA-O 3.25Å; D303-R331 WeakPolarHBondContact CA-O 3.45Å; D303-R331 HydrophobicContact CB-CB 3.9Å; R331-S371 PolarHBondContact N-O 2.98Å; R331-E372 WeakPolarHBondContact CA-O 3.34Å; R331-E372 HydrophobicContact CB-CB 4.5Å; R331-E372 HydrophobicContact CG-CB 3.8Å; R331-E372 HydrophobicContact CG-CG 4.29Å; R331-E372 IonicContact CZ-OE1 3.02Å; R331-E372 PolarHBondContact N-O 3.47Å; R331-E372 IonicContact NE-OE1 3.76Å; R331-E372 PolarHBondContact NE-OE1 2.95Å; R331-E372 IonicContact NE-OE2 3.83Å; R331-E372 IonicContact NH2-OE1 3.18Å; R331-E372 PolarHBondContact NH2-OE1 2.65Å
332	N	98.6	Very high	95.7	Very high	2 Å²	2	30.7 Å²	30.7	1%	0.011	16%	0.159	C	C	.	.	S	Bend	trans	-104.8	-169.8	173.7	-78.3	-70.9	0	0	0	110.4	L301 N304 G305 I306 L329 S330 L334 N373	L301-N332 PolarHBondContact O-ND2 2.76Å; N304-N332 WeakPolarHBondContact CA-OD1 3.36Å; N304-N332 PolarHBondContact N-OD1 3.25Å; G305-N332 PolarHBondContact N-OD1 2.8Å; I306-N332 HydrophobicContact CB-CB 4.02Å; I306-N332 WeakPolarHBondContact CB-OD1 3.18Å; I306-N332 WeakPolarHBondContact CG1-OD1 3.4Å; I306-N332 PolarHBondContact N-OD1 2.76Å; L329-N332 VanDerWaalsContact C-ND2 3.33Å; L329-N332 PolarHBondContact O-ND2 3.22Å; S330-N332 PolarHBondContact O-N 2.97Å; S330-N332 PolarHBondContact O-ND2 2.76Å; N332-L334 HydrophobicContact CB-CG 4.44Å; N332-N373 WeakPolarHBondContact CA-OD1 3.34Å; N332-N373 WeakPolarHBondContact CB-OD1 3Å; N332-N373 PolarHBondContact N-OD1 2.92Å; N332-N373 WeakPolarHBondContact O-CA 3.48Å; N332-N373 PolarHBondContact O-OD1 3.17Å
333	L	98.2	Very high	96.5	Very high	103 Å²	103	28.8 Å²	28.8	54%	0.539	15%	0.145	S	C	.	.	B	Isolated β-bridge	trans	-115.6	37.1	-177.3	-57.2	175.6	0	0	0	110.5	I306 T307 G308 G335	I306-L333 CarbonylContact O-C 3.42Å; I306-L333 WeakPolarHBondContact O-CA 3.36Å; I306-L333 PolarHBondContact O-N 3.01Å; T307-L333 CarbonylContact C-O 3.44Å; T307-L333 WeakPolarHBondContact CA-O 3.23Å; T307-L333 HydrophobicContact CG2-CB 4.49Å; G308-L333 PolarHBondContact N-O 3.41Å; G308-L333 VanDerWaalsContact N-O 3.08Å; L333-G335 VanDerWaalsContact C-N 3.3Å; L333-G335 PolarHBondContact O-N 2.76Å
334	L	98.6	Very high	96.9	Very high	2 Å²	2	31.3 Å²	31.3	1%	0.01	16%	0.157	C	C	.	.			trans	-59.9	-42.8	-175.7	-71	173.2	0	0	0	111.4	I306 G308 A311 L329 N332 G338 I342 L370 N373	I306-L334 HydrophobicContact CG2-CD2 3.95Å; I306-L334 PolarHBondContact O-N 3.07Å; G308-L334 WeakPolarHBondContact CA-O 3.48Å; G308-L334 PolarHBondContact N-O 3.08Å; A311-L334 HydrophobicContact CB-CD2 4.13Å; L329-L334 HydrophobicContact CB-CD1 4.08Å; L329-L334 HydrophobicContact CD1-CD1 4.26Å; N332-L334 HydrophobicContact CB-CG 4.44Å; L334-G338 WeakPolarHBondContact O-CA 3.47Å; L334-G338 PolarHBondContact O-N 2.82Å; L334-I342 HydrophobicContact CD1-CD1 3.76Å; L334-I342 HydrophobicContact CD2-CD1 4.16Å; L334-L370 HydrophobicContact CD1-CD2 3.85Å; L334-N373 HydrophobicContact CB-CB 4.21Å; L334-N373 VanDerWaalsContact CB-OD1 3.32Å; L334-N373 WeakPolarHBondContact CB-OD1 3.41Å; L334-N373 VanDerWaalsContact CD1-OD1 3.31Å; L334-N373 WeakPolarHBondContact CD1-OD1 3.46Å; L334-N373 WeakPolarHBondContact CG-OD1 3.42Å; L334-N373 PolarHBondContact N-OD1 3.11Å
335	G	98.3	Very high	97.1	Very high	16 Å²	16	31 Å²	31	17%	0.165	16%	0.156	C	C	.	.	H	α-helix	trans	53.8	-165.2	-171.4	0	0	0	0	0	112.5	L333 L337 G338 C339 N373	L333-G335 VanDerWaalsContact C-N 3.3Å; L333-G335 PolarHBondContact O-N 2.76Å; G335-L337 VanDerWaalsContact C-N 3.32Å; G335-L337 PolarHBondContact O-N 3.19Å; G335-G338 PolarHBondContact O-N 3.4Å; G335-C339 WeakPolarHBondContact O-CB 3.41Å; G335-C339 PolarHBondContact O-N 3.47Å; G335-N373 WeakPolarHBondContact CA-O 3.14Å; G335-N373 PolarHBondContact N-O 3.14Å
336	D	98.6	Very high	97.1	Very high	40 Å²	40	28.7 Å²	28.7	21%	0.214	15%	0.145	C	C	.	.	H	α-helix	trans	-67.5	-32.3	179.4	-69	-42.1	0	0	0	113	S340 T376 S379	D336-S340 WeakPolarHBondContact O-CB 3.42Å; D336-S340 PolarHBondContact O-N 3.26Å; D336-S340 PolarHBondContact O-OG 3.05Å; D336-T376 PolarHBondContact OD1-N 3.15Å; D336-T376 PolarHBondContact OD1-OG1 2.93Å; D336-T376 WeakPolarHBondContact OD2-CB 3.48Å; D336-T376 WeakPolarHBondContact OD2-CG2 3.46Å; D336-T376 PolarHBondContact OD2-OG1 2.74Å; D336-S379 WeakPolarHBondContact OD1-CB 3.38Å; D336-S379 PolarHBondContact OD1-OG 2.87Å
337	L	98.5	Very high	96.8	Very high	112 Å²	112	29.9 Å²	29.9	59%	0.586	16%	0.157	S	C	*	.	H	α-helix	trans	-62.6	-48	177	177.8	62.9	0	0	0	111.2	G335 T341	G335-L337 VanDerWaalsContact C-N 3.32Å; G335-L337 PolarHBondContact O-N 3.19Å; L337-T341 WeakPolarHBondContact O-CB 3.16Å; L337-T341 PolarHBondContact O-N 3.46Å; L337-T341 PolarHBondContact O-OG1 3.45Å
338	G	98.5	Very high	96	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-68.1	-45	178.9	0	0	0	0	0	112.2	L334 G335 S340 T341 I342	L334-G338 WeakPolarHBondContact O-CA 3.47Å; L334-G338 PolarHBondContact O-N 2.82Å; G335-G338 PolarHBondContact O-N 3.4Å; G338-S340 PolarHBondContact O-N 3.28Å; G338-T341 PolarHBondContact O-N 3.17Å; G338-I342 WeakPolarHBondContact O-CG1 3.24Å; G338-I342 PolarHBondContact O-N 3.27Å
339	C	98.5	Very high	94.2	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-56.8	-48.4	175.1	-176.8	0	0	0	0	111.4	G335 T341 I342 S343 I375 S379	G335-C339 WeakPolarHBondContact O-CB 3.41Å; G335-C339 PolarHBondContact O-N 3.47Å; C339-T341 VanDerWaalsContact C-N 3.34Å; C339-T341 PolarHBondContact O-N 3.32Å; C339-I342 PolarHBondContact O-N 3.49Å; C339-S343 VanDerWaalsContact O-CB 3.26Å; C339-S343 WeakPolarHBondContact O-CB 3.33Å; C339-S343 PolarHBondContact O-N 3.08Å; C339-S343 PolarHBondContact O-OG 3.29Å; C339-I375 HydrophobicContact CB-CD1 3.93Å; C339-I375 HydrophobicContact CB-CG1 4.06Å; C339-I375 HydrophobicContact CB-CG2 4.11Å; C339-S379 PolarHBondContact SG-OG 3.25Å; C339-S379 VanDerWaalsContact SG-OG 3.42Å
340	S	98.2	Very high	92.5	Very high	18 Å²	18	36.1 Å²	36.1	13%	0.126	20%	0.2	C	C	.	.	H	α-helix	trans	-62.3	-41.2	178.6	-57.9	0	0	0	0	111.9	D336 G338 S343 Q344 I382	D336-S340 WeakPolarHBondContact O-CB 3.42Å; D336-S340 PolarHBondContact O-N 3.26Å; D336-S340 PolarHBondContact O-OG 3.05Å; G338-S340 PolarHBondContact O-N 3.28Å; S340-S343 PolarHBondContact O-N 2.82Å; S340-Q344 WeakPolarHBondContact O-CB 3.27Å; S340-Q344 VanDerWaalsContact O-CG 3.27Å; S340-Q344 WeakPolarHBondContact O-CG 3.45Å; S340-Q344 PolarHBondContact O-N 2.87Å; S340-I382 WeakPolarHBondContact OG-CD1 3.21Å
341	T	98	Very high	90.5	Very high	26 Å²	26	36.1 Å²	36.1	16%	0.16	20%	0.198	C	C	.	.	H	α-helix	trans	-63.8	-45.3	178.5	-59	0	0	0	0	111.8	A311 V315 L337 G338 C339 A345	A311-T341 HydrophobicContact CB-CG2 4.01Å; V315-T341 HydrophobicContact CG2-CG2 3.63Å; L337-T341 WeakPolarHBondContact O-CB 3.16Å; L337-T341 PolarHBondContact O-N 3.46Å; L337-T341 PolarHBondContact O-OG1 3.45Å; G338-T341 PolarHBondContact O-N 3.17Å; C339-T341 VanDerWaalsContact C-N 3.34Å; C339-T341 PolarHBondContact O-N 3.32Å; T341-A345 PolarHBondContact O-N 3.29Å; T341-A345 VanDerWaalsContact O-N 3.09Å
342	I	97.2	Very high	88.3	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-62.1	-47.1	175.2	-70.1	166.3	0	0	0	109.7	L314 L318 L329 L334 G338 C339 Q344 A345 L346 L370	L314-I342 HydrophobicContact CD1-CD1 4.3Å; L318-I342 HydrophobicContact CD1-CB 4.33Å; L318-I342 HydrophobicContact CD1-CG1 4.28Å; L318-I342 HydrophobicContact CD1-CG2 3.92Å; L329-I342 HydrophobicContact CD1-CD1 3.61Å; L334-I342 HydrophobicContact CD1-CD1 3.76Å; L334-I342 HydrophobicContact CD2-CD1 4.16Å; G338-I342 WeakPolarHBondContact O-CG1 3.24Å; G338-I342 PolarHBondContact O-N 3.27Å; C339-I342 PolarHBondContact O-N 3.49Å; I342-Q344 PolarHBondContact O-N 3.5Å; I342-A345 CarbonylContact O-C 3.56Å; I342-A345 WeakPolarHBondContact O-CA 3.38Å; I342-A345 WeakPolarHBondContact O-CB 3.36Å; I342-A345 PolarHBondContact O-N 3.05Å; I342-L346 HydrophobicContact CG2-CD1 4.04Å; I342-L346 HydrophobicContact CG2-CG 4.34Å; I342-L346 WeakPolarHBondContact O-CG 3.08Å; I342-L346 PolarHBondContact O-N 2.78Å; I342-L370 HydrophobicContact CD1-CD2 4.07Å
343	S	96	Very high	86	Confident	0 Å²	0	33 Å²	33	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-60.1	-43.3	-179	-59.3	0	0	0	0	112.6	C339 S340 A345 L346 A347 L383	C339-S343 VanDerWaalsContact O-CB 3.26Å; C339-S343 WeakPolarHBondContact O-CB 3.33Å; C339-S343 PolarHBondContact O-N 3.08Å; C339-S343 PolarHBondContact O-OG 3.29Å; S340-S343 PolarHBondContact O-N 2.82Å; S343-A345 VanDerWaalsContact C-N 3.29Å; S343-A345 PolarHBondContact O-N 3.43Å; S343-L346 PolarHBondContact O-N 2.92Å; S343-A347 PolarHBondContact O-N 2.82Å; S343-L383 VanDerWaalsContact OG-CA 3.22Å; S343-L383 WeakPolarHBondContact OG-CA 3.29Å; S343-L383 WeakPolarHBondContact OG-CD1 3.36Å
344	Q	94.5	Very high	83.7	Confident	109 Å²	109	35.9 Å²	35.9	51%	0.509	21%	0.208	S	C	.	.	H	α-helix	trans	-64.9	-32.1	173.3	-72.5	173.2	7.4	0	0	112.5	S340 I342 I382	S340-Q344 WeakPolarHBondContact O-CB 3.27Å; S340-Q344 VanDerWaalsContact O-CG 3.27Å; S340-Q344 WeakPolarHBondContact O-CG 3.45Å; S340-Q344 PolarHBondContact O-N 2.87Å; I342-Q344 PolarHBondContact O-N 3.5Å; Q344-I382 HydrophobicContact CG-CG2 4.1Å
345	A	93.8	Very high	81.3	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-69.8	-37.9	173.2	0	0	0	0	0	112.1	V315 L318 R319 T341 I342 S343 A347 S348	V315-A345 HydrophobicContact CB-CB 4.38Å; V315-A345 HydrophobicContact CG1-CB 4.09Å; V315-A345 HydrophobicContact CG2-CB 4.17Å; L318-A345 HydrophobicContact CB-CB 3.97Å; L318-A345 HydrophobicContact CD1-CB 3.86Å; R319-A345 HydrophobicContact CG-CB 4.25Å; T341-A345 PolarHBondContact O-N 3.29Å; T341-A345 VanDerWaalsContact O-N 3.09Å; I342-A345 CarbonylContact O-C 3.56Å; I342-A345 WeakPolarHBondContact O-CA 3.38Å; I342-A345 WeakPolarHBondContact O-CB 3.36Å; I342-A345 PolarHBondContact O-N 3.05Å; S343-A345 VanDerWaalsContact C-N 3.29Å; S343-A345 PolarHBondContact O-N 3.43Å; A345-A347 VanDerWaalsContact C-N 3.32Å; A345-S348 WeakPolarHBondContact O-CB 3.46Å; A345-S348 PolarHBondContact O-N 3Å
346	L	91.6	Very high	78.8	Confident	0 Å²	0	44 Å²	44	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-68.1	-30.3	174.9	-63.9	174.9	0	0	0	112.7	L318 I342 S343 S348 F351 L365 L368	L318-L346 HydrophobicContact CD2-CD2 4.2Å; I342-L346 HydrophobicContact CG2-CD1 4.04Å; I342-L346 HydrophobicContact CG2-CG 4.34Å; I342-L346 WeakPolarHBondContact O-CG 3.08Å; I342-L346 PolarHBondContact O-N 2.78Å; S343-L346 PolarHBondContact O-N 2.92Å; L346-S348 PolarHBondContact O-N 3.45Å; L346-S348 VanDerWaalsContact O-N 3.08Å; L346-F351 HydrophobicContact CD2-CE1 4.3Å; L346-F351 HydrophobicContact CD2-CE2 4.28Å; L346-F351 HydrophobicContact CD2-CZ 3.86Å; L346-F351 WeakPolarHBondContact O-CD2 3.43Å; L346-L365 HydrophobicContact CD2-CD1 3.75Å; L346-L368 HydrophobicContact CD1-CD2 3.77Å
347	A	88	Confident	76.3	Confident	34 Å²	34	50.1 Å²	50.1	28%	0.281	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-0.5	173.5	0	0	0	0	0	113.9	S343 A345 R389	S343-A347 PolarHBondContact O-N 2.82Å; A345-A347 VanDerWaalsContact C-N 3.32Å; A347-R389 WeakPolarHBondContact O-CD 3.09Å
348	S	79.3	Confident	73.7	Confident	22 Å²	22	47.2 Å²	47.2	15%	0.154	27%	0.268	C	S	.	.	S	Bend	trans	-64.5	141.8	178.2	179.2	0	0	0	0	112	A345 L346 C350 F351	A345-S348 WeakPolarHBondContact O-CB 3.46Å; A345-S348 PolarHBondContact O-N 3Å; L346-S348 PolarHBondContact O-N 3.45Å; L346-S348 VanDerWaalsContact O-N 3.08Å; S348-C350 VanDerWaalsContact CB-SG 3.53Å; S348-C350 PolarHBondContact O-N 2.94Å; S348-C350 PolarHBondContact OG-SG 2.89Å; S348-F351 PolarHBondContact O-N 3.19Å; S348-F351 VanDerWaalsContact O-N 3.13Å
349	P	59.5	Low	71.4	Confident	89 Å²	89	53.4 Å²	53.4	58%	0.578	30%	0.3	S	S	*	.	G	3₁₀ helix	trans	-58.8	-18.2	180	-22.6	31.4	0	0	0	114.8	F351 S352	P349-F351 PolarHBondContact O-N 2.95Å; P349-F351 VanDerWaalsContact O-N 3.09Å; P349-S352 WeakPolarHBondContact O-CB 3.39Å; P349-S352 PolarHBondContact O-N 2.76Å
350	C	63.5	Low	69	Low	38 Å²	38	61.6 Å²	61.6	26%	0.257	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-60.1	-17.4	175.7	59.7	0	0	0	0	113.8	R319 S348	R319-C350 PolarHBondContact O-SG 3.42Å; S348-C350 VanDerWaalsContact CB-SG 3.53Å; S348-C350 PolarHBondContact O-N 2.94Å; S348-C350 PolarHBondContact OG-SG 2.89Å
351	F	55.8	Low	66.7	Low	14 Å²	14	62.2 Å²	62.2	6%	0.061	34%	0.341	C	S	.	.	G	3₁₀ helix	trans	-93.3	-6	173.1	-62.1	-84.9	0	0	0	113.5	L318 L346 S348 P349 R389 T391	L318-F351 WeakPolarHBondContact O-CE2 3.2Å; L318-F351 WeakPolarHBondContact O-CZ 3.29Å; L346-F351 HydrophobicContact CD2-CE1 4.3Å; L346-F351 HydrophobicContact CD2-CE2 4.28Å; L346-F351 HydrophobicContact CD2-CZ 3.86Å; L346-F351 WeakPolarHBondContact O-CD2 3.43Å; S348-F351 PolarHBondContact O-N 3.19Å; S348-F351 VanDerWaalsContact O-N 3.13Å; P349-F351 PolarHBondContact O-N 2.95Å; P349-F351 VanDerWaalsContact O-N 3.09Å; F351-R389 CarbonylContact C-O 3.48Å; F351-R389 HydrophobicContact CB-CB 4.24Å; F351-R389 VanDerWaalsContact CB-O 3.31Å; F351-R389 WeakPolarHBondContact CB-O 3.22Å; F351-T391 PolarHBondContact O-OG1 3.22Å
352	S	51.4	Low	65	Low	11 Å²	11	65.7 Å²	65.7	8%	0.077	36%	0.355	C	S	.	.			trans	-62.9	132	-174.5	-163.7	0	0	0	0	113	P349 E354 I355 R389	P349-S352 WeakPolarHBondContact O-CB 3.39Å; P349-S352 PolarHBondContact O-N 2.76Å; S352-E354 PolarHBondContact O-N 2.9Å; S352-E354 PolarHBondContact OG-OE2 3.06Å; S352-I355 PolarHBondContact O-N 2.88Å; S352-R389 VanDerWaalsContact CB-NH2 3.26Å; S352-R389 PolarHBondContact OG-NH2 3.48Å
353	S	50.3	Low	63.9	Low	60 Å²	60	71.7 Å²	71.7	42%	0.42	38%	0.378	S	S	.	.	G	3₁₀ helix	trans	-59.5	-21.8	172.7	41	0	0	0	0	113.9	I355 L356	S353-I355 PolarHBondContact O-N 3.35Å; S353-L356 WeakPolarHBondContact O-CB 3.39Å; S353-L356 VanDerWaalsContact O-CD1 3.27Å; S353-L356 WeakPolarHBondContact O-CD1 3.36Å; S353-L356 WeakPolarHBondContact O-CG 3.46Å; S353-L356 PolarHBondContact O-N 3.25Å
354	E	49.1	Very low	63.3	Low	163 Å²	163	72 Å²	72	76%	0.762	38%	0.382	S	S	*	.	G	3₁₀ helix	trans	-63	-11.2	-176.7	-69.3	166.1	166	0	0	113.1	S352	S352-E354 PolarHBondContact O-N 2.9Å; S352-E354 PolarHBondContact OG-OE2 3.06Å
355	I	48.3	Very low	63.1	Low	86 Å²	86	67.1 Å²	67.1	44%	0.441	36%	0.359	S	S	.	.	G	3₁₀ helix	trans	-106.3	21.5	176.5	-36.9	173.9	0	0	0	111.3	S352 S353 N361	S352-I355 PolarHBondContact O-N 2.88Å; S353-I355 PolarHBondContact O-N 3.35Å; I355-N361 VanDerWaalsContact CB-ND2 3.34Å; I355-N361 WeakPolarHBondContact CB-ND2 3.29Å; I355-N361 WeakPolarHBondContact CG2-ND2 3.13Å; I355-N361 WeakPolarHBondContact O-CB 3.32Å; I355-N361 PolarHBondContact O-ND2 3.42Å
356	L	46.4	Very low	63	Low	102 Å²	102	67.4 Å²	67.4	53%	0.534	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-11	-178	-76.8	167.7	0	0	0	114.8	S353 S358	S353-L356 WeakPolarHBondContact O-CB 3.39Å; S353-L356 VanDerWaalsContact O-CD1 3.27Å; S353-L356 WeakPolarHBondContact O-CD1 3.36Å; S353-L356 WeakPolarHBondContact O-CG 3.46Å; S353-L356 PolarHBondContact O-N 3.25Å; L356-S358 PolarHBondContact O-N 2.97Å; L356-S358 VanDerWaalsContact O-N 3.16Å
357	N	45.2	Very low	63.1	Low	169 Å²	169	67.6 Å²	67.6	90%	0.904	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	9.8	-175.5	-68.7	-15.4	0	0	0	114.5
358	S	45.1	Very low	63.5	Low	51 Å²	51	66 Å²	66	36%	0.357	35%	0.348	S	S	.	.	S	Bend	trans	-121.7	124.1	168.6	61.9	0	0	0	0	109.1	L356 E360 N361	L356-S358 PolarHBondContact O-N 2.97Å; L356-S358 VanDerWaalsContact O-N 3.16Å; S358-E360 PolarHBondContact O-N 3.15Å; S358-N361 PolarHBondContact O-N 3.17Å
359	D	49.4	Very low	64.4	Low	129 Å²	129	66.4 Å²	66.4	69%	0.69	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.4	-20.9	171.9	-97.9	-45.9	0	0	0	113.4	N361 R585	D359-N361 VanDerWaalsContact C-N 3.31Å; D359-N361 PolarHBondContact O-N 2.69Å; D359-R585 IonicContact OD1-CZ 3.97Å; D359-R585 IonicContact OD1-NH1 2.8Å; D359-R585 PolarHBondContact OD1-NH1 2.81Å; D359-R585 IonicContact OD1-NH2 3.96Å
360	E	47.5	Very low	66.2	Low	173 Å²	173	62.1 Å²	62.1	81%	0.808	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-15.3	176.6	-70.8	-86.8	136.2	0	0	115.4	S358 Q362	S358-E360 PolarHBondContact O-N 3.15Å; E360-Q362 PolarHBondContact O-N 3.02Å
361	N	50.9	Low	67.9	Low	31 Å²	31	60.9 Å²	60.9	17%	0.166	31%	0.311	C	S	.	.			trans	-105.8	48.1	-169	-131.6	25	0	0	0	114.5	I355 S358 D359 R363	I355-N361 VanDerWaalsContact CB-ND2 3.34Å; I355-N361 WeakPolarHBondContact CB-ND2 3.29Å; I355-N361 WeakPolarHBondContact CG2-ND2 3.13Å; I355-N361 WeakPolarHBondContact O-CB 3.32Å; I355-N361 PolarHBondContact O-ND2 3.42Å; S358-N361 PolarHBondContact O-N 3.17Å; D359-N361 VanDerWaalsContact C-N 3.31Å; D359-N361 PolarHBondContact O-N 2.69Å; N361-R363 PolarHBondContact O-N 2.89Å; N361-R363 WeakPolarHBondContact OD1-CD 3.36Å; N361-R363 PolarHBondContact OD1-NE 2.99Å
362	Q	62.9	Low	69.8	Low	99 Å²	99	64.3 Å²	64.3	46%	0.463	33%	0.327	S	S	.	.			trans	-68.8	41.7	169.8	-60	-165.9	-2.1	0	0	113.5	E360 R392	E360-Q362 PolarHBondContact O-N 3.02Å; Q362-R392 VanDerWaalsContact C-NH1 3.33Å; Q362-R392 PolarHBondContact O-NH1 3.09Å
363	R	74.4	Confident	72.1	Confident	125 Å²	125	63.8 Å²	63.8	47%	0.472	32%	0.323	S	S	.	.			trans	-90.8	149	-175.3	-59	-174.4	-173.8	178.5	5.8	111.2	N361 R392	N361-R363 PolarHBondContact O-N 2.89Å; N361-R363 WeakPolarHBondContact OD1-CD 3.36Å; N361-R363 PolarHBondContact OD1-NE 2.99Å; R363-R392 VanDerWaalsContact O-CD 3.27Å; R363-R392 WeakPolarHBondContact O-CD 3.3Å
364	G	81.5	Confident	74.3	Confident	8 Å²	8	67.3 Å²	67.3	8%	0.082	34%	0.335	C	S	.	.	S	Bend	trans	107.5	163.6	170.4	0	0	0	0	0	115.6	L324 R392	L324-G364 CarbonylContact O-C 3.56Å; G364-R392 PolarHBondContact O-NH1 3.08Å
365	L	90.6	Very high	76.7	Confident	5 Å²	5	59.6 Å²	59.6	3%	0.026	30%	0.299	C	S	.	.			trans	-70.2	138	-175.2	-69.9	176.8	0	0	0	112	L318 L324 L327 L346 L368 R392 L393	L318-L365 HydrophobicContact CD2-CD1 3.93Å; L324-L365 HydrophobicContact CD2-CD2 3.91Å; L324-L365 HydrophobicContact CG-CD2 3.81Å; L327-L365 HydrophobicContact CB-CD1 4.5Å; L327-L365 HydrophobicContact CB-CD2 3.95Å; L346-L365 HydrophobicContact CD2-CD1 3.75Å; L365-L368 HydrophobicContact CD1-CB 4.4Å; L365-L368 HydrophobicContact CD1-CD1 4.23Å; L365-R392 CarbonylContact O-C 3.45Å; L365-L393 HydrophobicContact CB-CD1 4.13Å; L365-L393 WeakPolarHBondContact O-CA 3.49Å; L365-L393 PolarHBondContact O-N 3.4Å
366	I	92.3	Very high	79	Confident	7 Å²	7	56.9 Å²	56.9	4%	0.036	29%	0.286	C	S	.	.	S	Bend	trans	-95.5	-40.2	169.3	-58.2	-178.5	0	0	0	109.5	K325 Y326 L393 T394 T395	K325-I366 HydrophobicContact CB-CB 4.43Å; K325-I366 HydrophobicContact CB-CD1 3.93Å; K325-I366 HydrophobicContact CB-CG1 4.06Å; K325-I366 HydrophobicContact CD-CD1 3.72Å; K325-I366 HydrophobicContact CG-CD1 3.76Å; K325-I366 HydrophobicContact CG-CG1 4.16Å; K325-I366 WeakPolarHBondContact O-CA 3.43Å; K325-I366 PolarHBondContact O-N 2.87Å; Y326-I366 HydrophobicContact CE1-CG2 4.4Å; I366-L393 CarbonylContact O-C 3.58Å; I366-T394 HydrophobicContact CG2-CG2 4.09Å; I366-T394 WeakPolarHBondContact CG2-OG1 3.26Å; I366-T394 PolarHBondContact O-N 3.34Å; I366-T394 PolarHBondContact O-OG1 2.91Å; I366-T395 PolarHBondContact O-N 3.36Å
367	R	94.1	Very high	81.5	Confident	4 Å²	4	58.7 Å²	58.7	2%	0.015	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	135.7	179.2	-49.5	-164.3	-176.1	140.7	9.9	112.2	K325 Y326 L327 F369 T395 W576 G577 D578	K325-R367 PolarHBondContact O-N 2.96Å; Y326-R367 HydrophobicContact CD1-CB 3.8Å; Y326-R367 HydrophobicContact CD1-CG 3.61Å; Y326-R367 HydrophobicContact CE1-CB 4.39Å; Y326-R367 HydrophobicContact CE1-CG 3.69Å; L327-R367 PolarHBondContact N-O 3.2Å; R367-F369 HydrophobicContact CB-CD2 4.4Å; R367-F369 HydrophobicContact CB-CE2 3.65Å; R367-F369 HydrophobicContact CB-CZ 4.31Å; R367-T395 WeakPolarHBondContact CA-O 3.49Å; R367-W576 PolarHBondContact NH1-O 2.94Å; R367-G577 PolarHBondContact NH1-O 3.32Å; R367-D578 VanDerWaalsContact CZ-O 3.23Å; R367-D578 PolarHBondContact NH1-O 3.49Å; R367-D578 PolarHBondContact NH2-O 3.35Å
368	L	96.3	Very high	84	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	121.1	178.4	177.8	60.2	0	0	0	109.7	L327 L346 L365 L370 L393 T395 L396 Q397	L327-L368 HydrophobicContact CB-CD1 4.34Å; L327-L368 HydrophobicContact CD2-CD1 4.22Å; L327-L368 HydrophobicContact CG-CD1 4.4Å; L346-L368 HydrophobicContact CD1-CD2 3.77Å; L365-L368 HydrophobicContact CD1-CB 4.4Å; L365-L368 HydrophobicContact CD1-CD1 4.23Å; L368-L370 HydrophobicContact CD1-CD2 4.12Å; L368-L370 HydrophobicContact CD1-CG 4.13Å; L368-L370 HydrophobicContact CD2-CD1 4.05Å; L368-L370 HydrophobicContact CD2-CG 4.41Å; L368-L370 HydrophobicContact CG-CD1 4.22Å; L368-L370 HydrophobicContact CG-CG 4.03Å; L368-L393 HydrophobicContact CB-CD1 3.85Å; L368-T395 PolarHBondContact N-O 3.03Å; L368-L396 HydrophobicContact CB-CD1 4.43Å; L368-L396 HydrophobicContact CD2-CD1 4.23Å; L368-L396 HydrophobicContact CG-CD1 4.39Å; L368-Q397 PolarHBondContact O-N 2.59Å
369	F	97.6	Very high	86.4	Confident	30 Å²	30	52 Å²	52	13%	0.132	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	119.1	177.3	-54.2	-106.5	0	0	0	110.4	L327 D328 L329 S330 R367 T395 Q397 W576	L327-F369 PolarHBondContact O-N 3.07Å; D328-F369 HydrophobicContact CB-CB 4.18Å; D328-F369 HydrophobicContact CB-CD2 4.17Å; D328-F369 HydrophobicContact CB-CG 4.4Å; D328-F369 WeakPolarHBondContact OD1-CB 3.36Å; L329-F369 PolarHBondContact N-O 3.08Å; S330-F369 WeakPolarHBondContact OG-CB 3.4Å; R367-F369 HydrophobicContact CB-CD2 4.4Å; R367-F369 HydrophobicContact CB-CE2 3.65Å; R367-F369 HydrophobicContact CB-CZ 4.31Å; F369-T395 HydrophobicContact CZ-CG2 4.39Å; F369-Q397 HydrophobicContact CB-CB 4.28Å; F369-Q397 HydrophobicContact CD1-CB 3.52Å; F369-Q397 HydrophobicContact CD1-CG 3.66Å; F369-Q397 HydrophobicContact CE1-CB 4.12Å; F369-Q397 HydrophobicContact CE1-CG 4.34Å; F369-Q397 HydrophobicContact CG-CB 4.11Å; F369-W576 HydrophobicContact CE1-CB 3.92Å; F369-W576 HydrophobicContact CE1-CG 4.07Å; F369-W576 HydrophobicContact CZ-CB 4.07Å
370	L	98.3	Very high	88.7	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	22%	0.22	C	C	.	.			trans	-127.8	24.5	179.7	-60.7	174.9	0	0	0	110.9	L329 L334 I342 L368 N373 I375 Q397 L398 N401	L329-L370 HydrophobicContact CB-CD2 4.21Å; L329-L370 HydrophobicContact CD1-CD2 4.13Å; L334-L370 HydrophobicContact CD1-CD2 3.85Å; I342-L370 HydrophobicContact CD1-CD2 4.07Å; L368-L370 HydrophobicContact CD1-CD2 4.12Å; L368-L370 HydrophobicContact CD1-CG 4.13Å; L368-L370 HydrophobicContact CD2-CD1 4.05Å; L368-L370 HydrophobicContact CD2-CG 4.41Å; L368-L370 HydrophobicContact CG-CD1 4.22Å; L368-L370 HydrophobicContact CG-CG 4.03Å; L370-N373 PolarHBondContact O-ND2 3.34Å; L370-I375 HydrophobicContact CB-CD1 4Å; L370-Q397 CarbonylContact C-O 3.53Å; L370-Q397 PolarHBondContact N-O 3.44Å; L370-L398 HydrophobicContact CB-CD2 4.07Å; L370-L398 HydrophobicContact CD1-CD2 4.28Å; L370-N401 PolarHBondContact O-ND2 2.68Å
371	S	97.5	Very high	91.1	Very high	11 Å²	11	40.8 Å²	40.8	8%	0.077	20%	0.203	C	C	.	.			trans	-60.5	150.1	179.9	-85.7	0	0	0	0	112.4	S330 R331 N373 Q397 S399	S330-S371 CarbonylContact C-O 3.45Å; S330-S371 WeakPolarHBondContact CA-O 3.33Å; R331-S371 PolarHBondContact N-O 2.98Å; S371-N373 PolarHBondContact O-N 3.05Å; S371-N373 PolarHBondContact O-ND2 3.24Å; S371-Q397 PolarHBondContact N-O 2.88Å; S371-Q397 VanDerWaalsContact OG-CG 3.22Å; S371-Q397 WeakPolarHBondContact OG-CG 3.19Å; S371-Q397 PolarHBondContact OG-OE1 3.13Å; S371-S399 CarbonylContact C-O 3.56Å; S371-S399 WeakPolarHBondContact CA-O 3Å; S371-S399 WeakPolarHBondContact CB-O 3.32Å; S371-S399 PolarHBondContact OG-N 3.37Å; S371-S399 PolarHBondContact OG-O 2.96Å
372	E	97.5	Very high	93.3	Very high	87 Å²	87	41.6 Å²	41.6	41%	0.407	21%	0.207	S	C	.	.	S	Bend	trans	51.1	51.3	171.2	-59.5	177.8	-105	0	0	112.7	R331 S399	R331-E372 WeakPolarHBondContact CA-O 3.34Å; R331-E372 HydrophobicContact CB-CB 4.5Å; R331-E372 HydrophobicContact CG-CB 3.8Å; R331-E372 HydrophobicContact CG-CG 4.29Å; R331-E372 IonicContact CZ-OE1 3.02Å; R331-E372 PolarHBondContact N-O 3.47Å; R331-E372 IonicContact NE-OE1 3.76Å; R331-E372 PolarHBondContact NE-OE1 2.95Å; R331-E372 IonicContact NE-OE2 3.83Å; R331-E372 IonicContact NH2-OE1 3.18Å; R331-E372 PolarHBondContact NH2-OE1 2.65Å; E372-S399 PolarHBondContact N-O 2.96Å
373	N	98.4	Very high	94.9	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.185	C	C	.	.	S	Bend	trans	-118.4	13.1	-175.1	-96.1	-79.7	0	0	0	114.1	L329 N332 L334 G335 L370 S371 I375 N401	L329-N373 PolarHBondContact O-ND2 3Å; N332-N373 WeakPolarHBondContact CA-OD1 3.34Å; N332-N373 WeakPolarHBondContact CB-OD1 3Å; N332-N373 PolarHBondContact N-OD1 2.92Å; N332-N373 WeakPolarHBondContact O-CA 3.48Å; N332-N373 PolarHBondContact O-OD1 3.17Å; L334-N373 HydrophobicContact CB-CB 4.21Å; L334-N373 VanDerWaalsContact CB-OD1 3.32Å; L334-N373 WeakPolarHBondContact CB-OD1 3.41Å; L334-N373 VanDerWaalsContact CD1-OD1 3.31Å; L334-N373 WeakPolarHBondContact CD1-OD1 3.46Å; L334-N373 WeakPolarHBondContact CG-OD1 3.42Å; L334-N373 PolarHBondContact N-OD1 3.11Å; G335-N373 WeakPolarHBondContact CA-O 3.14Å; G335-N373 PolarHBondContact N-O 3.14Å; L370-N373 PolarHBondContact O-ND2 3.34Å; S371-N373 PolarHBondContact O-N 3.05Å; S371-N373 PolarHBondContact O-ND2 3.24Å; N373-I375 HydrophobicContact CB-CD1 3.75Å; N373-I375 HydrophobicContact CB-CG1 3.73Å; N373-I375 PolarHBondContact O-N 3.09Å; N373-N401 WeakPolarHBondContact CA-OD1 3.48Å; N373-N401 PolarHBondContact N-OD1 2.67Å
374	M	97.1	Very high	95.9	Very high	133 Å²	133	31.3 Å²	31.3	66%	0.655	17%	0.165	S	C	*	.			trans	56.6	30.3	-175.2	-51.9	-58	-68.5	0	0	112.9	N401	M374-N401 PolarHBondContact N-OD1 2.86Å
375	I	98.4	Very high	96.5	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.005	18%	0.182	C	C	.	.			trans	-75.6	139.8	177.7	-59.6	172.9	0	0	0	108.7	C339 L370 N373 S379 M380 N401	C339-I375 HydrophobicContact CB-CD1 3.93Å; C339-I375 HydrophobicContact CB-CG1 4.06Å; C339-I375 HydrophobicContact CB-CG2 4.11Å; L370-I375 HydrophobicContact CB-CD1 4Å; N373-I375 HydrophobicContact CB-CD1 3.75Å; N373-I375 HydrophobicContact CB-CG1 3.73Å; N373-I375 PolarHBondContact O-N 3.09Å; I375-S379 WeakPolarHBondContact CG2-OG 3.25Å; I375-M380 HydrophobicContact CG2-CE 3.42Å; I375-M380 VanDerWaalsContact CG2-CE 3.42Å; I375-N401 HydrophobicContact CB-CB 4.13Å; I375-N401 WeakPolarHBondContact CB-OD1 3.32Å; I375-N401 PolarHBondContact N-OD1 3.29Å
376	T	98.4	Very high	96.5	Very high	30 Å²	30	33.5 Å²	33.5	18%	0.184	18%	0.18	C	C	.	.	B	Isolated β-bridge	trans	-117.3	176.2	177.9	84.8	0	0	0	0	110.9	D336 S378 S379 N403	D336-T376 PolarHBondContact OD1-N 3.15Å; D336-T376 PolarHBondContact OD1-OG1 2.93Å; D336-T376 WeakPolarHBondContact OD2-CB 3.48Å; D336-T376 WeakPolarHBondContact OD2-CG2 3.46Å; D336-T376 PolarHBondContact OD2-OG1 2.74Å; T376-S378 PolarHBondContact O-N 3.04Å; T376-S378 WeakPolarHBondContact OG1-CB 3.22Å; T376-S378 PolarHBondContact OG1-N 3Å; T376-S378 PolarHBondContact OG1-OG 3.15Å; T376-S379 PolarHBondContact O-N 3.44Å; T376-S379 PolarHBondContact O-OG 2.9Å; T376-N403 CarbonylContact C-O 3.43Å; T376-N403 WeakPolarHBondContact CA-O 3.35Å; T376-N403 HydrophobicContact CG2-CB 3.87Å
377	R	97.6	Very high	96.5	Very high	140 Å²	140	33.3 Å²	33.3	53%	0.528	18%	0.179	S	C	.	.	G	3₁₀ helix	trans	-52.1	-27.5	173.2	77.4	177.6	-165.1	171.9	0.4	113.7	S379 M380 N403 I404 S407	R377-S379 PolarHBondContact O-N 2.86Å; R377-S379 VanDerWaalsContact O-N 3.1Å; R377-M380 WeakPolarHBondContact O-CB 3.37Å; R377-M380 PolarHBondContact O-N 3.08Å; R377-N403 PolarHBondContact N-O 3.04Å; R377-I404 WeakPolarHBondContact CB-O 3.47Å; R377-S407 PolarHBondContact NH1-OG 3.43Å
378	S	97.3	Very high	96.3	Very high	80 Å²	80	36.5 Å²	36.5	56%	0.559	20%	0.199	S	C	*	.	G	3₁₀ helix	trans	-61.7	-24.4	-171.1	-48.7	0	0	0	0	113.7	T376	T376-S378 PolarHBondContact O-N 3.04Å; T376-S378 WeakPolarHBondContact OG1-CB 3.22Å; T376-S378 PolarHBondContact OG1-N 3Å; T376-S378 PolarHBondContact OG1-OG 3.15Å
379	S	96.9	Very high	95.7	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-100.4	-3.8	178.6	56.1	0	0	0	0	114.2	D336 C339 I375 T376 R377 S381 I382 L383	D336-S379 WeakPolarHBondContact OD1-CB 3.38Å; D336-S379 PolarHBondContact OD1-OG 2.87Å; C339-S379 PolarHBondContact SG-OG 3.25Å; C339-S379 VanDerWaalsContact SG-OG 3.42Å; I375-S379 WeakPolarHBondContact CG2-OG 3.25Å; T376-S379 PolarHBondContact O-N 3.44Å; T376-S379 PolarHBondContact O-OG 2.9Å; R377-S379 PolarHBondContact O-N 2.86Å; R377-S379 VanDerWaalsContact O-N 3.1Å; S379-S381 PolarHBondContact O-N 3.35Å; S379-I382 PolarHBondContact O-N 3.3Å; S379-L383 PolarHBondContact O-N 3.09Å
380	M	98.3	Very high	95.3	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-68.3	-38.2	-172.5	-67.7	-58.8	94.5	0	0	113.6	I375 R377 I382 L383 A384 I404 G408 D411 L412	I375-M380 HydrophobicContact CG2-CE 3.42Å; I375-M380 VanDerWaalsContact CG2-CE 3.42Å; R377-M380 WeakPolarHBondContact O-CB 3.37Å; R377-M380 PolarHBondContact O-N 3.08Å; M380-I382 VanDerWaalsContact C-N 3.29Å; M380-I382 PolarHBondContact O-N 3.3Å; M380-L383 HydrophobicContact CE-CB 4.49Å; M380-L383 HydrophobicContact CE-CD2 3.96Å; M380-L383 PolarHBondContact O-N 3.44Å; M380-L383 HydrophobicContact SD-CD2 4.34Å; M380-A384 VanDerWaalsContact O-CB 3.31Å; M380-A384 WeakPolarHBondContact O-CB 3.31Å; M380-A384 PolarHBondContact O-N 3.46Å; M380-I404 HydrophobicContact CE-CD1 4.44Å; M380-I404 HydrophobicContact CE-CG1 4.49Å; M380-I404 HydrophobicContact CG-CG2 4.15Å; M380-I404 HydrophobicContact SD-CD1 4.06Å; M380-I404 HydrophobicContact SD-CG1 4.14Å; M380-I404 HydrophobicContact SD-CG2 4.02Å; M380-G408 WeakPolarHBondContact CB-O 3.26Å; M380-D411 HydrophobicContact CB-CB 3.96Å; M380-L412 HydrophobicContact CB-CD2 4.38Å; M380-L412 HydrophobicContact CB-CG 4.09Å; M380-L412 HydrophobicContact CG-CG 4.37Å; M380-L412 WeakPolarHBondContact O-CD2 3.19Å; M380-L412 HydrophobicContact SD-CD1 3.57Å; M380-L412 VanDerWaalsContact SD-CD1 3.57Å; M380-L412 HydrophobicContact SD-CD2 4.19Å; M380-L412 HydrophobicContact SD-CG 3.87Å
381	S	96.8	Very high	94.7	Very high	66 Å²	66	40.3 Å²	40.3	46%	0.462	22%	0.216	S	C	.	.	H	α-helix	trans	-63.9	-35.4	174.2	58.9	0	0	0	0	112.4	S379 A384 S385	S379-S381 PolarHBondContact O-N 3.35Å; S381-A384 WeakPolarHBondContact O-CB 3.21Å; S381-S385 PolarHBondContact O-N 2.67Å; S381-S385 VanDerWaalsContact O-N 3.12Å
382	I	96.8	Very high	94.2	Very high	47 Å²	47	42.5 Å²	42.5	24%	0.241	22%	0.223	C	C	.	.	H	α-helix	trans	-73	-43.9	177	-53.7	170.5	0	0	0	109.5	S340 Q344 S379 M380 A384 S385 G386	S340-I382 WeakPolarHBondContact OG-CD1 3.21Å; Q344-I382 HydrophobicContact CG-CG2 4.1Å; S379-I382 PolarHBondContact O-N 3.3Å; M380-I382 VanDerWaalsContact C-N 3.29Å; M380-I382 PolarHBondContact O-N 3.3Å; I382-A384 VanDerWaalsContact C-N 3.3Å; I382-A384 PolarHBondContact O-N 2.94Å; I382-S385 PolarHBondContact O-N 3.32Å; I382-S385 VanDerWaalsContact O-N 3.16Å; I382-S385 PolarHBondContact O-OG 3.39Å; I382-G386 PolarHBondContact O-N 3.19Å; I382-G386 VanDerWaalsContact O-N 3.13Å
383	L	97.2	Very high	94	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-57.8	-44.8	173.1	-178.6	58.9	0	0	0	111.2	S343 S379 M380 S385 G386 L387 L398 L412	S343-L383 VanDerWaalsContact OG-CA 3.22Å; S343-L383 WeakPolarHBondContact OG-CA 3.29Å; S343-L383 WeakPolarHBondContact OG-CD1 3.36Å; S379-L383 PolarHBondContact O-N 3.09Å; M380-L383 HydrophobicContact CE-CB 4.49Å; M380-L383 HydrophobicContact CE-CD2 3.96Å; M380-L383 PolarHBondContact O-N 3.44Å; M380-L383 HydrophobicContact SD-CD2 4.34Å; L383-S385 VanDerWaalsContact C-N 3.29Å; L383-S385 PolarHBondContact O-N 3.17Å; L383-G386 PolarHBondContact O-N 3.46Å; L383-L387 HydrophobicContact CD1-CD1 4.34Å; L383-L387 HydrophobicContact CD1-CD2 4.35Å; L383-L387 HydrophobicContact CD1-CG 4.07Å; L383-L387 HydrophobicContact CG-CD1 3.96Å; L383-L387 HydrophobicContact CG-CG 4.17Å; L383-L387 VanDerWaalsContact O-CG 3.29Å; L383-L387 WeakPolarHBondContact O-CG 3.47Å; L383-L387 PolarHBondContact O-N 2.7Å; L383-L398 HydrophobicContact CD2-CD1 4.17Å; L383-L398 HydrophobicContact CD2-CD2 3.97Å; L383-L412 HydrophobicContact CB-CD2 4.15Å; L383-L412 HydrophobicContact CD2-CD2 4.05Å; L383-L412 HydrophobicContact CG-CD2 4.03Å
384	A	96.1	Very high	93.8	Very high	8 Å²	8	39.5 Å²	39.5	7%	0.066	21%	0.21	C	C	.	.	H	α-helix	trans	-54.8	-45.3	175.1	0	0	0	0	0	111.9	M380 S381 I382 G386 L387 T388 L412 S415	M380-A384 VanDerWaalsContact O-CB 3.31Å; M380-A384 WeakPolarHBondContact O-CB 3.31Å; M380-A384 PolarHBondContact O-N 3.46Å; S381-A384 WeakPolarHBondContact O-CB 3.21Å; I382-A384 VanDerWaalsContact C-N 3.3Å; I382-A384 PolarHBondContact O-N 2.94Å; A384-G386 VanDerWaalsContact C-N 3.3Å; A384-G386 PolarHBondContact O-N 3.21Å; A384-L387 PolarHBondContact O-N 3.01Å; A384-T388 WeakPolarHBondContact O-CG2 3.22Å; A384-T388 PolarHBondContact O-N 3.15Å; A384-L412 HydrophobicContact CB-CD2 4.22Å; A384-S415 VanDerWaalsContact CA-OG 3.3Å; A384-S415 WeakPolarHBondContact CA-OG 3.35Å; A384-S415 WeakPolarHBondContact CB-OG 3.32Å; A384-S415 VanDerWaalsContact O-CB 3.25Å; A384-S415 WeakPolarHBondContact O-CB 3.47Å
385	S	92.8	Very high	93.7	Very high	60 Å²	60	33.2 Å²	33.2	42%	0.42	18%	0.179	S	C	.	.	H	α-helix	trans	-64.1	-31.2	177.6	78	0	0	0	0	113.9	S381 I382 L383 T388	S381-S385 PolarHBondContact O-N 2.67Å; S381-S385 VanDerWaalsContact O-N 3.12Å; I382-S385 PolarHBondContact O-N 3.32Å; I382-S385 VanDerWaalsContact O-N 3.16Å; I382-S385 PolarHBondContact O-OG 3.39Å; L383-S385 VanDerWaalsContact C-N 3.29Å; L383-S385 PolarHBondContact O-N 3.17Å; S385-T388 PolarHBondContact O-OG1 3.49Å
386	G	91.7	Very high	93.7	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-75.3	-42.9	173.7	0	0	0	0	0	112.3	I382 L383 A384 T388 R389	I382-G386 PolarHBondContact O-N 3.19Å; I382-G386 VanDerWaalsContact O-N 3.13Å; L383-G386 PolarHBondContact O-N 3.46Å; A384-G386 VanDerWaalsContact C-N 3.3Å; A384-G386 PolarHBondContact O-N 3.21Å; G386-T388 VanDerWaalsContact C-N 3.31Å; G386-T388 PolarHBondContact O-N 3.1Å; G386-R389 PolarHBondContact O-N 3.43Å; G386-R389 VanDerWaalsContact O-N 3.09Å
387	L	92.3	Very high	93.6	Very high	2 Å²	2	32 Å²	32	1%	0.01	17%	0.171	C	C	.	.	H	α-helix	trans	-63.1	-32.7	-176.8	-71.5	176.3	0	0	0	113.4	L383 A384 R389 C390 L393 L396 L412 L416	L383-L387 HydrophobicContact CD1-CD1 4.34Å; L383-L387 HydrophobicContact CD1-CD2 4.35Å; L383-L387 HydrophobicContact CD1-CG 4.07Å; L383-L387 HydrophobicContact CG-CD1 3.96Å; L383-L387 HydrophobicContact CG-CG 4.17Å; L383-L387 VanDerWaalsContact O-CG 3.29Å; L383-L387 WeakPolarHBondContact O-CG 3.47Å; L383-L387 PolarHBondContact O-N 2.7Å; A384-L387 PolarHBondContact O-N 3.01Å; L387-R389 PolarHBondContact O-N 3.38Å; L387-R389 VanDerWaalsContact O-N 3.14Å; L387-C390 WeakPolarHBondContact O-CB 3.1Å; L387-C390 PolarHBondContact O-N 2.83Å; L387-L393 HydrophobicContact CD2-CD2 3.44Å; L387-L393 VanDerWaalsContact CD2-CD2 3.44Å; L387-L396 HydrophobicContact CD1-CD2 3.6Å; L387-L396 HydrophobicContact CD2-CD1 4.47Å; L387-L396 HydrophobicContact CD2-CD2 4.15Å; L387-L412 HydrophobicContact CD1-CD2 4.15Å; L387-L416 HydrophobicContact CD1-CD2 4.42Å
388	T	88.3	Confident	93.6	Very high	71 Å²	71	25.3 Å²	25.3	44%	0.436	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-20.5	176.2	55.1	0	0	0	0	113	A384 S385 G386	A384-T388 WeakPolarHBondContact O-CG2 3.22Å; A384-T388 PolarHBondContact O-N 3.15Å; S385-T388 PolarHBondContact O-OG1 3.49Å; G386-T388 VanDerWaalsContact C-N 3.31Å; G386-T388 PolarHBondContact O-N 3.1Å
389	R	85.6	Confident	93.6	Very high	82 Å²	82	22.2 Å²	22.2	31%	0.309	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-14.4	174	-56.2	-144.8	80.6	101.4	2.1	113.5	A347 F351 S352 G386 L387 T391	A347-R389 WeakPolarHBondContact O-CD 3.09Å; F351-R389 CarbonylContact C-O 3.48Å; F351-R389 HydrophobicContact CB-CB 4.24Å; F351-R389 VanDerWaalsContact CB-O 3.31Å; F351-R389 WeakPolarHBondContact CB-O 3.22Å; S352-R389 VanDerWaalsContact CB-NH2 3.26Å; S352-R389 PolarHBondContact OG-NH2 3.48Å; G386-R389 PolarHBondContact O-N 3.43Å; G386-R389 VanDerWaalsContact O-N 3.09Å; L387-R389 PolarHBondContact O-N 3.38Å; L387-R389 VanDerWaalsContact O-N 3.14Å; R389-T391 VanDerWaalsContact C-N 3.3Å; R389-T391 PolarHBondContact O-N 3.21Å
390	C	88.1	Confident	93.5	Very high	3 Å²	3	23.2 Å²	23.2	2%	0.02	14%	0.135	C	C	.	.			trans	-79.6	73.7	-176.7	-68.6	0	0	0	0	111.9	L387 R392 L393 C419	L387-C390 WeakPolarHBondContact O-CB 3.1Å; L387-C390 PolarHBondContact O-N 2.83Å; C390-R392 PolarHBondContact O-N 3.33Å; C390-L393 HydrophobicContact CB-CB 3.8Å; C390-L393 HydrophobicContact CB-CD2 4.37Å; C390-L393 PolarHBondContact O-N 3.46Å; C390-C419 PolarHBondContact O-SG 3.38Å
391	T	86.4	Confident	93.4	Very high	25 Å²	25	23.3 Å²	23.3	15%	0.153	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-13.7	-173.1	53.4	0	0	0	0	115.5	F351 R389 C421	F351-T391 PolarHBondContact O-OG1 3.22Å; R389-T391 VanDerWaalsContact C-N 3.3Å; R389-T391 PolarHBondContact O-N 3.21Å; T391-C421 PolarHBondContact O-SG 3.15Å
392	R	87.4	Confident	93.3	Very high	58 Å²	58	25.5 Å²	25.5	22%	0.219	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.5	-4.7	-179.1	-63.5	-174.9	66.9	-155.3	7.5	114.4	Q362 R363 G364 L365 C390 T394	Q362-R392 VanDerWaalsContact C-NH1 3.33Å; Q362-R392 PolarHBondContact O-NH1 3.09Å; R363-R392 VanDerWaalsContact O-CD 3.27Å; R363-R392 WeakPolarHBondContact O-CD 3.3Å; G364-R392 PolarHBondContact O-NH1 3.08Å; L365-R392 CarbonylContact O-C 3.45Å; C390-R392 PolarHBondContact O-N 3.33Å; R392-T394 PolarHBondContact O-N 3.21Å
393	L	92.2	Very high	93.2	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.005	16%	0.158	C	C	.	.			trans	-68.8	111.3	-172.4	-172.1	78.1	0	0	0	109.5	L365 I366 L368 L387 C390 T395 L396 C421 L422	L365-L393 HydrophobicContact CB-CD1 4.13Å; L365-L393 WeakPolarHBondContact O-CA 3.49Å; L365-L393 PolarHBondContact O-N 3.4Å; I366-L393 CarbonylContact O-C 3.58Å; L368-L393 HydrophobicContact CB-CD1 3.85Å; L387-L393 HydrophobicContact CD2-CD2 3.44Å; L387-L393 VanDerWaalsContact CD2-CD2 3.44Å; C390-L393 HydrophobicContact CB-CB 3.8Å; C390-L393 HydrophobicContact CB-CD2 4.37Å; C390-L393 PolarHBondContact O-N 3.46Å; L393-T395 WeakPolarHBondContact CD1-O 3.3Å; L393-L396 HydrophobicContact CD2-CB 4.27Å; L393-C421 CarbonylContact O-C 3.5Å; L393-L422 HydrophobicContact CD2-CD1 4.33Å; L393-L422 HydrophobicContact CG-CD1 4.35Å; L393-L422 WeakPolarHBondContact O-CA 3.48Å; L393-L422 PolarHBondContact O-N 3.39Å; L393-L422 VanDerWaalsContact O-N 3.08Å
394	T	94.1	Very high	93.2	Very high	23 Å²	23	28.7 Å²	28.7	14%	0.141	16%	0.159	C	C	.	.			trans	-94.5	-21.9	177.6	65.2	0	0	0	0	112.8	I366 R392 C421 K423 R424	I366-T394 HydrophobicContact CG2-CG2 4.09Å; I366-T394 WeakPolarHBondContact CG2-OG1 3.26Å; I366-T394 PolarHBondContact O-N 3.34Å; I366-T394 PolarHBondContact O-OG1 2.91Å; R392-T394 PolarHBondContact O-N 3.21Å; T394-C421 WeakPolarHBondContact CA-O 3.06Å; T394-C421 HydrophobicContact CG2-CB 4.38Å; T394-K423 PolarHBondContact O-N 2.91Å; T394-R424 PolarHBondContact O-N 3.05Å
395	T	95.7	Very high	93.3	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	124.9	-175.8	-54.8	0	0	0	0	111.1	I366 R367 L368 F369 L393 R424 W576	I366-T395 PolarHBondContact O-N 3.36Å; R367-T395 WeakPolarHBondContact CA-O 3.49Å; L368-T395 PolarHBondContact N-O 3.03Å; F369-T395 HydrophobicContact CZ-CG2 4.39Å; L393-T395 WeakPolarHBondContact CD1-O 3.3Å; T395-R424 WeakPolarHBondContact CA-O 3.38Å; T395-R424 HydrophobicContact CG2-CB 4.1Å; T395-W576 HydrophobicContact CG2-CB 4.15Å; T395-W576 HydrophobicContact CG2-CD2 4.45Å; T395-W576 HydrophobicContact CG2-CE3 3.96Å
396	L	97.1	Very high	93.5	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	126.6	170.3	178.3	62.9	0	0	0	108.6	L368 L387 L393 L398 L416 L422 R424 L425 G426	L368-L396 HydrophobicContact CB-CD1 4.43Å; L368-L396 HydrophobicContact CD2-CD1 4.23Å; L368-L396 HydrophobicContact CG-CD1 4.39Å; L387-L396 HydrophobicContact CD1-CD2 3.6Å; L387-L396 HydrophobicContact CD2-CD1 4.47Å; L387-L396 HydrophobicContact CD2-CD2 4.15Å; L393-L396 HydrophobicContact CD2-CB 4.27Å; L396-L398 HydrophobicContact CD1-CD2 4.29Å; L396-L398 HydrophobicContact CD1-CG 4.34Å; L396-L398 HydrophobicContact CD2-CD1 4.08Å; L396-L398 HydrophobicContact CD2-CG 4.4Å; L396-L398 HydrophobicContact CG-CD1 4.33Å; L396-L398 HydrophobicContact CG-CG 4.11Å; L396-L416 HydrophobicContact CD2-CD2 4.07Å; L396-L422 HydrophobicContact CB-CD1 3.89Å; L396-R424 PolarHBondContact N-O 3.42Å; L396-L425 HydrophobicContact CB-CD1 4.18Å; L396-L425 HydrophobicContact CD2-CD1 4.09Å; L396-L425 HydrophobicContact CG-CD1 4.22Å; L396-L425 WeakPolarHBondContact O-CA 3.25Å; L396-G426 PolarHBondContact O-N 3.25Å
397	Q	96.7	Very high	93.8	Very high	6 Å²	6	29.3 Å²	29.3	3%	0.028	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	114.9	-178.1	176.8	54.4	-76.9	0	0	110.1	L368 F369 L370 S371 S399 G426	L368-Q397 PolarHBondContact O-N 2.59Å; F369-Q397 HydrophobicContact CB-CB 4.28Å; F369-Q397 HydrophobicContact CD1-CB 3.52Å; F369-Q397 HydrophobicContact CD1-CG 3.66Å; F369-Q397 HydrophobicContact CE1-CB 4.12Å; F369-Q397 HydrophobicContact CE1-CG 4.34Å; F369-Q397 HydrophobicContact CG-CB 4.11Å; L370-Q397 CarbonylContact C-O 3.53Å; L370-Q397 PolarHBondContact N-O 3.44Å; S371-Q397 PolarHBondContact N-O 2.88Å; S371-Q397 VanDerWaalsContact OG-CG 3.22Å; S371-Q397 WeakPolarHBondContact OG-CG 3.19Å; S371-Q397 PolarHBondContact OG-OE1 3.13Å; Q397-S399 PolarHBondContact OE1-OG 2.86Å; Q397-G426 VanDerWaalsContact OE1-C 3.23Å; Q397-G426 PolarHBondContact OE1-O 2.66Å
398	L	97.9	Very high	94.1	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	17%	0.165	C	C	.	.			trans	-121.6	2.6	-176.7	-63.5	175.5	0	0	0	112.7	L370 L383 L396 N401 I404 L412 G426 I427 C430	L370-L398 HydrophobicContact CB-CD2 4.07Å; L370-L398 HydrophobicContact CD1-CD2 4.28Å; L383-L398 HydrophobicContact CD2-CD1 4.17Å; L383-L398 HydrophobicContact CD2-CD2 3.97Å; L396-L398 HydrophobicContact CD1-CD2 4.29Å; L396-L398 HydrophobicContact CD1-CG 4.34Å; L396-L398 HydrophobicContact CD2-CD1 4.08Å; L396-L398 HydrophobicContact CD2-CG 4.4Å; L396-L398 HydrophobicContact CG-CD1 4.33Å; L396-L398 HydrophobicContact CG-CG 4.11Å; L398-N401 WeakPolarHBondContact O-CB 3.39Å; L398-N401 PolarHBondContact O-N 3.31Å; L398-N401 PolarHBondContact O-ND2 3.42Å; L398-I404 HydrophobicContact CB-CD1 4.12Å; L398-I404 HydrophobicContact CD1-CD1 4.45Å; L398-L412 HydrophobicContact CD1-CD1 3.65Å; L398-G426 PolarHBondContact N-O 3.3Å; L398-I427 HydrophobicContact CB-CG2 4.33Å; L398-C430 PolarHBondContact O-SG 3.39Å; L398-C430 VanDerWaalsContact O-SG 3.34Å
399	S	97.1	Very high	94.5	Very high	14 Å²	14	26 Å²	26	10%	0.098	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	146.6	-174.7	-65.9	0	0	0	0	113.2	S371 E372 Q397 N401 G426 I427 A428	S371-S399 CarbonylContact C-O 3.56Å; S371-S399 WeakPolarHBondContact CA-O 3Å; S371-S399 WeakPolarHBondContact CB-O 3.32Å; S371-S399 PolarHBondContact OG-N 3.37Å; S371-S399 PolarHBondContact OG-O 2.96Å; E372-S399 PolarHBondContact N-O 2.96Å; Q397-S399 PolarHBondContact OE1-OG 2.86Å; S399-N401 VanDerWaalsContact C-N 3.29Å; S399-N401 PolarHBondContact O-N 3.43Å; S399-G426 PolarHBondContact N-O 2.85Å; S399-I427 PolarHBondContact OG-N 2.94Å; S399-A428 CarbonylContact C-O 3.46Å; S399-A428 WeakPolarHBondContact CA-O 3.48Å; S399-A428 VanDerWaalsContact CB-O 3.31Å; S399-A428 WeakPolarHBondContact CB-O 3.35Å; S399-A428 WeakPolarHBondContact OG-CB 3.1Å; S399-A428 PolarHBondContact OG-N 2.58Å
400	G	94.9	Very high	95.1	Very high	22 Å²	22	27.8 Å²	27.8	23%	0.227	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.1	6.7	179	0	0	0	0	0	114.8	L402 A428 F429	G400-L402 PolarHBondContact O-N 3.45Å; G400-A428 PolarHBondContact N-O 3.24Å; G400-F429 WeakPolarHBondContact CA-O 3.47Å; G400-F429 PolarHBondContact N-O 2.94Å
401	N	97.3	Very high	95.6	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.005	17%	0.168	C	C	.	.			trans	-92.9	77	169.1	-69.3	-63.4	0	0	0	109.4	L370 N373 M374 I375 L398 S399 N403 I404 C430	L370-N401 PolarHBondContact O-ND2 2.68Å; N373-N401 WeakPolarHBondContact CA-OD1 3.48Å; N373-N401 PolarHBondContact N-OD1 2.67Å; M374-N401 PolarHBondContact N-OD1 2.86Å; I375-N401 HydrophobicContact CB-CB 4.13Å; I375-N401 WeakPolarHBondContact CB-OD1 3.32Å; I375-N401 PolarHBondContact N-OD1 3.29Å; L398-N401 WeakPolarHBondContact O-CB 3.39Å; L398-N401 PolarHBondContact O-N 3.31Å; L398-N401 PolarHBondContact O-ND2 3.42Å; S399-N401 VanDerWaalsContact C-N 3.29Å; S399-N401 PolarHBondContact O-N 3.43Å; N401-N403 PolarHBondContact O-N 2.82Å; N401-I404 HydrophobicContact CB-CD1 3.52Å; N401-I404 HydrophobicContact CB-CG1 3.87Å; N401-I404 WeakPolarHBondContact O-CG1 3.29Å; N401-I404 PolarHBondContact O-N 3.33Å; N401-I404 VanDerWaalsContact O-N 3.15Å; N401-C430 WeakPolarHBondContact O-CA 3.32Å
402	L	93.3	Very high	96.1	Very high	112 Å²	112	29.2 Å²	29.2	59%	0.586	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-24.6	-167.9	-70.8	165.5	0	0	0	115.3	G400 F429 C430	G400-L402 PolarHBondContact O-N 3.45Å; L402-F429 HydrophobicContact CD2-CB 4.14Å; L402-F429 WeakPolarHBondContact CD2-O 3.07Å; L402-C430 CarbonylContact O-C 3.33Å
403	N	95.3	Very high	96.6	Very high	111 Å²	111	27.9 Å²	27.9	59%	0.594	16%	0.157	S	C	*	.	B	Isolated β-bridge	trans	-100.2	16.5	-174.7	-68.2	-33.1	0	0	0	113.8	T376 R377 N401	T376-N403 CarbonylContact C-O 3.43Å; T376-N403 WeakPolarHBondContact CA-O 3.35Å; T376-N403 HydrophobicContact CG2-CB 3.87Å; R377-N403 PolarHBondContact N-O 3.04Å; N401-N403 PolarHBondContact O-N 2.82Å
404	I	98.1	Very high	96.7	Very high	4 Å²	4	31.4 Å²	31.4	2%	0.021	18%	0.182	C	C	.	.			trans	-69.4	-52	169.5	-69.6	176.2	0	0	0	109.5	R377 M380 L398 N401 G408 C430	R377-I404 WeakPolarHBondContact CB-O 3.47Å; M380-I404 HydrophobicContact CE-CD1 4.44Å; M380-I404 HydrophobicContact CE-CG1 4.49Å; M380-I404 HydrophobicContact CG-CG2 4.15Å; M380-I404 HydrophobicContact SD-CD1 4.06Å; M380-I404 HydrophobicContact SD-CG1 4.14Å; M380-I404 HydrophobicContact SD-CG2 4.02Å; L398-I404 HydrophobicContact CB-CD1 4.12Å; L398-I404 HydrophobicContact CD1-CD1 4.45Å; N401-I404 HydrophobicContact CB-CD1 3.52Å; N401-I404 HydrophobicContact CB-CG1 3.87Å; N401-I404 WeakPolarHBondContact O-CG1 3.29Å; N401-I404 PolarHBondContact O-N 3.33Å; N401-I404 VanDerWaalsContact O-N 3.15Å; I404-G408 VanDerWaalsContact O-CA 3.3Å; I404-G408 WeakPolarHBondContact O-CA 3.24Å; I404-G408 PolarHBondContact O-N 3.3Å; I404-C430 HydrophobicContact CB-CB 4.35Å
405	G	97.1	Very high	96.7	Very high	16 Å²	16	30.3 Å²	30.3	17%	0.165	18%	0.175	C	C	.	.	H	α-helix	trans	61.1	179.4	178.8	0	0	0	0	0	115	S407 G408 L409 C430 G431	G405-S407 VanDerWaalsContact C-N 3.27Å; G405-S407 PolarHBondContact O-N 2.82Å; G405-G408 PolarHBondContact O-N 2.8Å; G405-L409 PolarHBondContact O-N 3.33Å; G405-C430 WeakPolarHBondContact CA-O 3.31Å; G405-C430 PolarHBondContact N-O 3Å; G405-G431 WeakPolarHBondContact CA-O 3.22Å
406	S	97.8	Very high	96.7	Very high	12 Å²	12	30.4 Å²	30.4	8%	0.084	18%	0.176	C	C	.	.	H	α-helix	trans	-61.8	-34.7	178	-59.5	0	0	0	0	112.9	L409 F410 D433 G436	S406-L409 PolarHBondContact O-N 2.88Å; S406-F410 WeakPolarHBondContact O-CB 3.26Å; S406-F410 PolarHBondContact O-N 2.88Å; S406-D433 VanDerWaalsContact CB-OD1 3.3Å; S406-D433 WeakPolarHBondContact CB-OD1 3.44Å; S406-D433 PolarHBondContact OG-N 2.8Å; S406-D433 PolarHBondContact OG-O 2.9Å; S406-D433 PolarHBondContact OG-OD1 3.44Å; S406-G436 VanDerWaalsContact CB-N 3.32Å; S406-G436 WeakPolarHBondContact OG-CA 3.18Å; S406-G436 PolarHBondContact OG-N 2.78Å
407	S	97.4	Very high	96.6	Very high	53 Å²	53	32.3 Å²	32.3	37%	0.371	19%	0.186	S	C	.	.	H	α-helix	trans	-63	-44.6	174	177.5	0	0	0	0	112.2	R377 G405 F410 D411	R377-S407 PolarHBondContact NH1-OG 3.43Å; G405-S407 VanDerWaalsContact C-N 3.27Å; G405-S407 PolarHBondContact O-N 2.82Å; S407-F410 WeakPolarHBondContact O-CB 3.47Å; S407-F410 PolarHBondContact O-N 2.65Å; S407-D411 PolarHBondContact O-N 3.12Å; S407-D411 VanDerWaalsContact O-N 3.16Å
408	G	97.9	Very high	96.3	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-69.3	-35.1	177.3	0	0	0	0	0	112.5	M380 I404 G405 F410 D411 L412	M380-G408 WeakPolarHBondContact CB-O 3.26Å; I404-G408 VanDerWaalsContact O-CA 3.3Å; I404-G408 WeakPolarHBondContact O-CA 3.24Å; I404-G408 PolarHBondContact O-N 3.3Å; G405-G408 PolarHBondContact O-N 2.8Å; G408-F410 VanDerWaalsContact C-N 3.33Å; G408-D411 PolarHBondContact O-N 3.45Å; G408-L412 PolarHBondContact O-N 2.96Å; G408-L412 VanDerWaalsContact O-N 3.12Å
409	L	98.2	Very high	95.9	Very high	2 Å²	2	35.9 Å²	35.9	1%	0.01	21%	0.211	C	C	.	.	H	α-helix	trans	-63	-41.2	171.8	179.6	64.6	0	0	0	111.7	G405 S406 D411 L412 K413 L416 I427 I432 I440 I443	G405-L409 PolarHBondContact O-N 3.33Å; S406-L409 PolarHBondContact O-N 2.88Å; L409-D411 VanDerWaalsContact C-N 3.29Å; L409-D411 PolarHBondContact O-N 2.83Å; L409-L412 PolarHBondContact O-N 3.19Å; L409-L412 VanDerWaalsContact O-N 3.15Å; L409-K413 PolarHBondContact O-N 3.34Å; L409-L416 HydrophobicContact CD1-CD1 4.2Å; L409-I427 HydrophobicContact CD1-CD1 4.35Å; L409-I432 HydrophobicContact CD2-CD1 4.14Å; L409-I432 HydrophobicContact CD2-CG2 4.16Å; L409-I440 HydrophobicContact CD2-CD1 4.23Å; L409-I440 HydrophobicContact CD2-CG1 3.52Å; L409-I443 HydrophobicContact CD1-CD1 4.04Å
410	F	98.1	Very high	95.3	Very high	120 Å²	120	38.4 Å²	38.4	53%	0.526	23%	0.227	S	C	.	.	H	α-helix	trans	-58.2	-42.5	175.4	-179.6	-91.5	0	0	0	111.4	S406 S407 G408 L412 K413	S406-F410 WeakPolarHBondContact O-CB 3.26Å; S406-F410 PolarHBondContact O-N 2.88Å; S407-F410 WeakPolarHBondContact O-CB 3.47Å; S407-F410 PolarHBondContact O-N 2.65Å; G408-F410 VanDerWaalsContact C-N 3.33Å; F410-L412 VanDerWaalsContact C-N 3.32Å; F410-L412 PolarHBondContact O-N 3.38Å; F410-K413 VanDerWaalsContact O-CB 3.24Å; F410-K413 WeakPolarHBondContact O-CB 3.35Å; F410-K413 PolarHBondContact O-N 3.16Å
411	D	97.8	Very high	95.1	Very high	57 Å²	57	39.8 Å²	39.8	31%	0.305	23%	0.233	S	C	.	.	H	α-helix	trans	-64.8	-33.8	176.5	-66.9	-22.9	0	0	0	112.7	M380 S407 G408 L409	M380-D411 HydrophobicContact CB-CB 3.96Å; S407-D411 PolarHBondContact O-N 3.12Å; S407-D411 VanDerWaalsContact O-N 3.16Å; G408-D411 PolarHBondContact O-N 3.45Å; L409-D411 VanDerWaalsContact C-N 3.29Å; L409-D411 PolarHBondContact O-N 2.83Å
412	L	97.3	Very high	94.8	Very high	2 Å²	2	39.8 Å²	39.8	1%	0.01	23%	0.233	C	C	.	.	H	α-helix	trans	-75.9	-28.1	175.6	-74.2	178.5	0	0	0	113.5	M380 L383 A384 L387 L398 G408 L409 F410 S414 S415 L416	M380-L412 HydrophobicContact CB-CD2 4.38Å; M380-L412 HydrophobicContact CB-CG 4.09Å; M380-L412 HydrophobicContact CG-CG 4.37Å; M380-L412 WeakPolarHBondContact O-CD2 3.19Å; M380-L412 HydrophobicContact SD-CD1 3.57Å; M380-L412 VanDerWaalsContact SD-CD1 3.57Å; M380-L412 HydrophobicContact SD-CD2 4.19Å; M380-L412 HydrophobicContact SD-CG 3.87Å; L383-L412 HydrophobicContact CB-CD2 4.15Å; L383-L412 HydrophobicContact CD2-CD2 4.05Å; L383-L412 HydrophobicContact CG-CD2 4.03Å; A384-L412 HydrophobicContact CB-CD2 4.22Å; L387-L412 HydrophobicContact CD1-CD2 4.15Å; L398-L412 HydrophobicContact CD1-CD1 3.65Å; G408-L412 PolarHBondContact O-N 2.96Å; G408-L412 VanDerWaalsContact O-N 3.12Å; L409-L412 PolarHBondContact O-N 3.19Å; L409-L412 VanDerWaalsContact O-N 3.15Å; F410-L412 VanDerWaalsContact C-N 3.32Å; F410-L412 PolarHBondContact O-N 3.38Å; L412-S414 PolarHBondContact O-N 2.89Å; L412-S415 PolarHBondContact O-N 2.84Å; L412-S415 PolarHBondContact O-OG 3.31Å; L412-L416 HydrophobicContact CB-CD1 3.82Å; L412-L416 HydrophobicContact CB-CG 4.08Å; L412-L416 WeakPolarHBondContact O-CG 3.47Å; L412-L416 PolarHBondContact O-N 2.98Å
413	K	97	Very high	94.8	Very high	30 Å²	30	37.3 Å²	37.3	13%	0.13	22%	0.217	C	C	.	.	H	α-helix	trans	-44.9	-54.2	-167.2	-175.6	-179.1	64.9	155.1	0	113.8	L409 F410 S415 L416 I417 E442 I443	L409-K413 PolarHBondContact O-N 3.34Å; F410-K413 VanDerWaalsContact O-CB 3.24Å; F410-K413 WeakPolarHBondContact O-CB 3.35Å; F410-K413 PolarHBondContact O-N 3.16Å; K413-S415 VanDerWaalsContact C-N 3.33Å; K413-S415 PolarHBondContact O-N 3.04Å; K413-L416 PolarHBondContact O-N 3.06Å; K413-I417 HydrophobicContact CG-CD1 3.95Å; K413-I417 WeakPolarHBondContact O-CG1 3.42Å; K413-I417 PolarHBondContact O-N 3.29Å; K413-E442 HydrophobicContact CD-CB 4.38Å; K413-E442 HydrophobicContact CD-CG 4.38Å; K413-E442 WeakPolarHBondContact CD-OE2 3.5Å; K413-E442 WeakPolarHBondContact CE-OE1 3.41Å; K413-E442 IonicContact NZ-OE1 2.81Å; K413-E442 PolarHBondContact NZ-OE1 3Å; K413-E442 IonicContact NZ-OE2 2.64Å; K413-E442 PolarHBondContact NZ-OE2 3.33Å; K413-I443 HydrophobicContact CB-CD1 4.47Å; K413-I443 HydrophobicContact CG-CD1 4.24Å; K413-I443 HydrophobicContact CG-CG1 3.85Å
414	S	95.2	Very high	94.8	Very high	75 Å²	75	33.5 Å²	33.5	52%	0.524	20%	0.195	S	C	.	.	H	α-helix	trans	-61.8	-40.1	-177	59.4	0	0	0	0	112.4	L412 I417 S418	L412-S414 PolarHBondContact O-N 2.89Å; S414-I417 PolarHBondContact O-N 3.27Å; S414-S418 WeakPolarHBondContact O-CB 3.17Å; S414-S418 PolarHBondContact O-N 2.68Å; S414-S418 PolarHBondContact O-OG 3.38Å
415	S	94.7	Very high	94.6	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-70.8	-36.9	176.8	72	0	0	0	0	112.6	A384 L412 K413 I417 S418 C419	A384-S415 VanDerWaalsContact CA-OG 3.3Å; A384-S415 WeakPolarHBondContact CA-OG 3.35Å; A384-S415 WeakPolarHBondContact CB-OG 3.32Å; A384-S415 VanDerWaalsContact O-CB 3.25Å; A384-S415 WeakPolarHBondContact O-CB 3.47Å; L412-S415 PolarHBondContact O-N 2.84Å; L412-S415 PolarHBondContact O-OG 3.31Å; K413-S415 VanDerWaalsContact C-N 3.33Å; K413-S415 PolarHBondContact O-N 3.04Å; S415-I417 VanDerWaalsContact C-N 3.3Å; S415-I417 PolarHBondContact O-N 2.81Å; S415-S418 PolarHBondContact O-N 2.95Å; S415-C419 VanDerWaalsContact O-CB 3.29Å; S415-C419 WeakPolarHBondContact O-CB 3.38Å; S415-C419 PolarHBondContact O-N 2.99Å
416	L	95.7	Very high	94.5	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.005	19%	0.186	C	C	.	.	H	α-helix	trans	-66.1	-34.8	176.6	-67.6	174.6	0	0	0	111.5	L387 L396 L409 L412 K413 L422 L425 I443 R450	L387-L416 HydrophobicContact CD1-CD2 4.42Å; L396-L416 HydrophobicContact CD2-CD2 4.07Å; L409-L416 HydrophobicContact CD1-CD1 4.2Å; L412-L416 HydrophobicContact CB-CD1 3.82Å; L412-L416 HydrophobicContact CB-CG 4.08Å; L412-L416 WeakPolarHBondContact O-CG 3.47Å; L412-L416 PolarHBondContact O-N 2.98Å; K413-L416 PolarHBondContact O-N 3.06Å; L416-L422 HydrophobicContact CD2-CD2 3.47Å; L416-L422 VanDerWaalsContact CD2-CD2 3.47Å; L416-L425 HydrophobicContact CD1-CD2 3.85Å; L416-L425 HydrophobicContact CD2-CD1 4.2Å; L416-L425 HydrophobicContact CD2-CD2 4.41Å; L416-I443 HydrophobicContact CB-CD1 4.43Å; L416-I443 HydrophobicContact CB-CG1 4.49Å; L416-I443 HydrophobicContact CB-CG2 4.49Å; L416-I443 HydrophobicContact CD1-CD1 3.77Å; L416-R450 PolarHBondContact O-NH2 2.75Å
417	I	93.8	Very high	94.5	Very high	41 Å²	41	32.1 Å²	32.1	21%	0.21	18%	0.182	C	C	.	.	H	α-helix	trans	-71.9	-41.5	173.2	-67.2	167.3	0	0	0	111.2	K413 S414 S415 E442 I443 E446 T447 R450	K413-I417 HydrophobicContact CG-CD1 3.95Å; K413-I417 WeakPolarHBondContact O-CG1 3.42Å; K413-I417 PolarHBondContact O-N 3.29Å; S414-I417 PolarHBondContact O-N 3.27Å; S415-I417 VanDerWaalsContact C-N 3.3Å; S415-I417 PolarHBondContact O-N 2.81Å; I417-E442 HydrophobicContact CD1-CG 4.37Å; I417-I443 HydrophobicContact CG1-CG1 4.27Å; I417-E446 HydrophobicContact CD1-CB 4.17Å; I417-E446 HydrophobicContact CD1-CG 4.2Å; I417-E446 HydrophobicContact CG1-CB 4.09Å; I417-E446 HydrophobicContact CG2-CB 3.85Å; I417-T447 HydrophobicContact CB-CG2 4.44Å; I417-T447 HydrophobicContact CG1-CG2 4.28Å; I417-R450 VanDerWaalsContact C-NH2 3.27Å; I417-R450 PolarHBondContact O-NH2 3.46Å
418	S	91	Very high	94.3	Very high	79 Å²	79	29.7 Å²	29.7	55%	0.552	17%	0.166	S	C	*	.	H	α-helix	trans	-78.9	-21.3	-176.2	-54.7	0	0	0	0	114	S414 S415 P420	S414-S418 WeakPolarHBondContact O-CB 3.17Å; S414-S418 PolarHBondContact O-N 2.68Å; S414-S418 PolarHBondContact O-OG 3.38Å; S415-S418 PolarHBondContact O-N 2.95Å; S418-P420 WeakPolarHBondContact O-CD 3.42Å
419	C	89.5	Confident	94.1	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.007	18%	0.184	C	C	.	.			trans	-67.1	113.5	-179	-171.8	0	0	0	0	110.7	C390 S415 C421 L422 R450	C390-C419 PolarHBondContact O-SG 3.38Å; S415-C419 VanDerWaalsContact O-CB 3.29Å; S415-C419 WeakPolarHBondContact O-CB 3.38Å; S415-C419 PolarHBondContact O-N 2.99Å; C419-C421 PolarHBondContact O-N 3Å; C419-L422 HydrophobicContact CB-CB 4.04Å; C419-R450 PolarHBondContact O-NE 3.42Å; C419-R450 PolarHBondContact O-NH1 2.94Å; C419-R450 PolarHBondContact O-NH2 3.48Å; C419-R450 VanDerWaalsContact O-NH2 3.09Å
420	P	84.3	Confident	94.1	Very high	68 Å²	68	33.6 Å²	33.6	44%	0.442	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-30.7	-162	26.4	-35.3	0	0	0	113.6	S418 R450	S418-P420 WeakPolarHBondContact O-CD 3.42Å; P420-R450 VanDerWaalsContact O-CD 3.3Å; P420-R450 WeakPolarHBondContact O-CD 3.42Å
421	C	89.5	Confident	93.9	Very high	51 Å²	51	29.2 Å²	29.2	35%	0.345	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.8	-0.3	-174.1	-70.3	0	0	0	0	114.3	T391 L393 T394 C419 K423	T391-C421 PolarHBondContact O-SG 3.15Å; L393-C421 CarbonylContact O-C 3.5Å; T394-C421 WeakPolarHBondContact CA-O 3.06Å; T394-C421 HydrophobicContact CG2-CB 4.38Å; C419-C421 PolarHBondContact O-N 3Å; C421-K423 WeakPolarHBondContact O-CG 3.31Å; C421-K423 PolarHBondContact O-N 3.21Å
422	L	92.7	Very high	93.8	Very high	1 Å²	1	26.5 Å²	26.5	1%	0.005	16%	0.157	C	C	.	.			trans	-66.8	119.2	-174.6	-168.9	69.1	0	0	0	110.6	L393 L396 L416 C419 R450 F451	L393-L422 HydrophobicContact CD2-CD1 4.33Å; L393-L422 HydrophobicContact CG-CD1 4.35Å; L393-L422 WeakPolarHBondContact O-CA 3.48Å; L393-L422 PolarHBondContact O-N 3.39Å; L393-L422 VanDerWaalsContact O-N 3.08Å; L396-L422 HydrophobicContact CB-CD1 3.89Å; L416-L422 HydrophobicContact CD2-CD2 3.47Å; L416-L422 VanDerWaalsContact CD2-CD2 3.47Å; C419-L422 HydrophobicContact CB-CB 4.04Å; L422-R450 PolarHBondContact O-NH1 2.68Å; L422-F451 HydrophobicContact CD2-CE2 4.4Å
423	K	92.8	Very high	93.6	Very high	59 Å²	59	28.9 Å²	28.9	26%	0.257	17%	0.17	S	C	.	.			trans	-113.1	-28.8	-177.9	-68.3	177.6	179.2	176.8	0	112.2	T394 C421 K452 I453 D583	T394-K423 PolarHBondContact O-N 2.91Å; C421-K423 WeakPolarHBondContact O-CG 3.31Å; C421-K423 PolarHBondContact O-N 3.21Å; K423-K452 HydrophobicContact CB-CG 4.24Å; K423-K452 HydrophobicContact CG-CG 4.5Å; K423-K452 PolarHBondContact O-N 3.34Å; K423-I453 PolarHBondContact O-N 3.35Å; K423-I453 VanDerWaalsContact O-N 3.09Å; K423-D583 IonicContact NZ-OD2 3.6Å; K423-D583 PolarHBondContact NZ-OD2 3.42Å
424	R	94.3	Very high	93.4	Very high	32 Å²	32	32.4 Å²	32.4	12%	0.121	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	125.8	-169.3	-47.3	177.5	-162.5	149.8	2.2	109.9	T394 T395 L396 I453 W576	T394-R424 PolarHBondContact O-N 3.05Å; T395-R424 WeakPolarHBondContact CA-O 3.38Å; T395-R424 HydrophobicContact CG2-CB 4.1Å; L396-R424 PolarHBondContact N-O 3.42Å; R424-I453 CarbonylContact C-O 3.59Å; R424-I453 VanDerWaalsContact CA-O 3.29Å; R424-I453 WeakPolarHBondContact CA-O 3.43Å; R424-I453 HydrophobicContact CB-CB 4.42Å; R424-I453 HydrophobicContact CG-CB 4.33Å; R424-W576 HydrophobicContact CB-CE3 3.69Å; R424-W576 HydrophobicContact CB-CZ3 3.78Å; R424-W576 PolarHBondContact NH1-O 3.37Å
425	L	95.5	Very high	93.2	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	121	177.6	178.2	65.5	0	0	0	110.6	L396 L416 I427 F451 I453 I454 D455 W576	L396-L425 HydrophobicContact CB-CD1 4.18Å; L396-L425 HydrophobicContact CD2-CD1 4.09Å; L396-L425 HydrophobicContact CG-CD1 4.22Å; L396-L425 WeakPolarHBondContact O-CA 3.25Å; L416-L425 HydrophobicContact CD1-CD2 3.85Å; L416-L425 HydrophobicContact CD2-CD1 4.2Å; L416-L425 HydrophobicContact CD2-CD2 4.41Å; L425-I427 HydrophobicContact CD1-CG2 3.99Å; L425-I427 HydrophobicContact CD2-CD1 4.24Å; L425-I427 HydrophobicContact CD2-CG1 4.47Å; L425-I427 HydrophobicContact CD2-CG2 4.28Å; L425-I427 HydrophobicContact CG-CG1 4.38Å; L425-I427 HydrophobicContact CG-CG2 3.98Å; L425-F451 HydrophobicContact CB-CE1 3.86Å; L425-F451 HydrophobicContact CB-CE2 4.43Å; L425-F451 HydrophobicContact CB-CZ 3.36Å; L425-F451 HydrophobicContact CD2-CZ 4.02Å; L425-F451 HydrophobicContact CG-CZ 4.34Å; L425-I453 PolarHBondContact N-O 2.94Å; L425-I454 HydrophobicContact CB-CG1 4.46Å; L425-I454 HydrophobicContact CD2-CD1 4.29Å; L425-I454 WeakPolarHBondContact O-CA 3.47Å; L425-D455 PolarHBondContact O-N 3.15Å; L425-W576 WeakPolarHBondContact O-CH2 3.24Å
426	G	95	Very high	93.2	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	120.3	169.5	0	0	0	0	0	111	L396 Q397 L398 S399 W576	L396-G426 PolarHBondContact O-N 3.25Å; Q397-G426 VanDerWaalsContact OE1-C 3.23Å; Q397-G426 PolarHBondContact OE1-O 2.66Å; L398-G426 PolarHBondContact N-O 3.3Å; S399-G426 PolarHBondContact N-O 2.85Å; G426-W576 VanDerWaalsContact CA-CH2 3.41Å
427	I	95.9	Very high	93	Very high	2 Å²	2	34.2 Å²	34.2	1%	0.01	19%	0.191	C	C	.	.			trans	-138.2	29.7	177.3	48.2	167.5	0	0	0	110	L398 S399 L409 L425 C430 I432 I454 D455 L456 N459	L398-I427 HydrophobicContact CB-CG2 4.33Å; S399-I427 PolarHBondContact OG-N 2.94Å; L409-I427 HydrophobicContact CD1-CD1 4.35Å; L425-I427 HydrophobicContact CD1-CG2 3.99Å; L425-I427 HydrophobicContact CD2-CD1 4.24Å; L425-I427 HydrophobicContact CD2-CG1 4.47Å; L425-I427 HydrophobicContact CD2-CG2 4.28Å; L425-I427 HydrophobicContact CG-CG1 4.38Å; L425-I427 HydrophobicContact CG-CG2 3.98Å; I427-C430 VanDerWaalsContact CA-SG 3.59Å; I427-C430 HydrophobicContact CB-CB 4.46Å; I427-C430 WeakPolarHBondContact O-CB 3.34Å; I427-C430 PolarHBondContact O-SG 3.44Å; I427-C430 VanDerWaalsContact O-SG 3.34Å; I427-I432 HydrophobicContact CB-CD1 3.94Å; I427-I432 HydrophobicContact CD1-CD1 3.54Å; I427-I432 HydrophobicContact CG1-CD1 4.1Å; I427-I454 HydrophobicContact CD1-CD1 4.18Å; I427-I454 HydrophobicContact CD1-CG1 4.39Å; I427-I454 HydrophobicContact CG1-CG1 4.44Å; I427-D455 CarbonylContact C-O 3.53Å; I427-D455 WeakPolarHBondContact CG1-O 3.48Å; I427-D455 PolarHBondContact N-O 2.72Å; I427-D455 VanDerWaalsContact N-O 3.1Å; I427-L456 HydrophobicContact CD1-CD2 3.49Å; I427-L456 VanDerWaalsContact CD1-CD2 3.49Å; I427-L456 HydrophobicContact CG1-CD2 3.84Å; I427-N459 PolarHBondContact O-ND2 2.63Å
428	A	93.7	Very high	92.8	Very high	3 Å²	3	35.6 Å²	35.6	3%	0.025	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	144.7	175.1	0	0	0	0	0	110.1	S399 G400 C430 D455 T457	S399-A428 CarbonylContact C-O 3.46Å; S399-A428 WeakPolarHBondContact CA-O 3.48Å; S399-A428 VanDerWaalsContact CB-O 3.31Å; S399-A428 WeakPolarHBondContact CB-O 3.35Å; S399-A428 WeakPolarHBondContact OG-CB 3.1Å; S399-A428 PolarHBondContact OG-N 2.58Å; G400-A428 PolarHBondContact N-O 3.24Å; A428-C430 PolarHBondContact O-N 3.47Å; A428-C430 PolarHBondContact O-SG 2.87Å; A428-C430 VanDerWaalsContact O-SG 3.37Å; A428-D455 PolarHBondContact N-O 3.09Å; A428-D455 VanDerWaalsContact N-O 3.15Å; A428-T457 CarbonylContact C-O 3.5Å; A428-T457 WeakPolarHBondContact CA-O 3.4Å; A428-T457 VanDerWaalsContact CB-O 3.28Å; A428-T457 WeakPolarHBondContact CB-O 3.45Å
429	F	95	Very high	93	Very high	84 Å²	84	32.2 Å²	32.2	37%	0.368	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.9	46.5	179.8	-55	-82.6	0	0	0	112.7	G400 L402 T457	G400-F429 WeakPolarHBondContact CA-O 3.47Å; G400-F429 PolarHBondContact N-O 2.94Å; L402-F429 HydrophobicContact CD2-CB 4.14Å; L402-F429 WeakPolarHBondContact CD2-O 3.07Å; F429-T457 HydrophobicContact CE2-CG2 4Å; F429-T457 HydrophobicContact CZ-CG2 4.09Å; F429-T457 PolarHBondContact N-O 2.77Å
430	C	96.8	Very high	93.2	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.184	C	C	.	.	S	Bend	trans	-106.4	7.5	178.3	-71.2	0	0	0	0	112.9	L398 N401 L402 I404 G405 I427 A428 I432 N459	L398-C430 PolarHBondContact O-SG 3.39Å; L398-C430 VanDerWaalsContact O-SG 3.34Å; N401-C430 WeakPolarHBondContact O-CA 3.32Å; L402-C430 CarbonylContact O-C 3.33Å; I404-C430 HydrophobicContact CB-CB 4.35Å; G405-C430 WeakPolarHBondContact CA-O 3.31Å; G405-C430 PolarHBondContact N-O 3Å; I427-C430 VanDerWaalsContact CA-SG 3.59Å; I427-C430 HydrophobicContact CB-CB 4.46Å; I427-C430 WeakPolarHBondContact O-CB 3.34Å; I427-C430 PolarHBondContact O-SG 3.44Å; I427-C430 VanDerWaalsContact O-SG 3.34Å; A428-C430 PolarHBondContact O-N 3.47Å; A428-C430 PolarHBondContact O-SG 2.87Å; A428-C430 VanDerWaalsContact O-SG 3.37Å; C430-I432 VanDerWaalsContact C-N 3.32Å; C430-I432 HydrophobicContact CB-CD1 4.05Å; C430-I432 HydrophobicContact CB-CG1 4.1Å; C430-I432 PolarHBondContact O-N 3.22Å; C430-N459 PolarHBondContact N-OD1 3.25Å
431	G	94.3	Very high	93.5	Very high	27 Å²	27	30.6 Å²	30.6	28%	0.278	17%	0.173	S	C	.	.			trans	71.9	24.4	-179.9	0	0	0	0	0	113.6	G405 D433 N459	G405-G431 WeakPolarHBondContact CA-O 3.22Å; G431-D433 PolarHBondContact O-N 3.14Å; G431-N459 PolarHBondContact N-OD1 3.01Å
432	I	95.5	Very high	93.6	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.174	C	C	.	.			trans	-77.4	115.7	-178.8	-58.7	164.9	0	0	0	109	L409 I427 C430 I440 N459 P460 I461	L409-I432 HydrophobicContact CD2-CD1 4.14Å; L409-I432 HydrophobicContact CD2-CG2 4.16Å; I427-I432 HydrophobicContact CB-CD1 3.94Å; I427-I432 HydrophobicContact CD1-CD1 3.54Å; I427-I432 HydrophobicContact CG1-CD1 4.1Å; C430-I432 VanDerWaalsContact C-N 3.32Å; C430-I432 HydrophobicContact CB-CD1 4.05Å; C430-I432 HydrophobicContact CB-CG1 4.1Å; C430-I432 PolarHBondContact O-N 3.22Å; I432-I440 HydrophobicContact CG2-CD1 4.18Å; I432-N459 HydrophobicContact CB-CB 4.09Å; I432-N459 PolarHBondContact N-OD1 3.38Å; I432-N459 VanDerWaalsContact N-OD1 3.09Å; I432-N459 CarbonylContact O-C 3.55Å; I432-N459 WeakPolarHBondContact O-CB 3.36Å; I432-P460 CarbonylContact O-C 3.42Å; I432-P460 WeakPolarHBondContact O-CD 3.38Å; I432-I461 HydrophobicContact CG2-CG1 4.34Å; I432-I461 WeakPolarHBondContact O-CG1 3.38Å; I432-I461 PolarHBondContact O-N 3.41Å
433	D	93.6	Very high	93.6	Very high	53 Å²	53	31.9 Å²	31.9	28%	0.283	17%	0.174	S	C	.	.			trans	-97.3	-168.9	179.5	62.9	20.6	0	0	0	112	S406 G431 D435 G436 P460	S406-D433 VanDerWaalsContact CB-OD1 3.3Å; S406-D433 WeakPolarHBondContact CB-OD1 3.44Å; S406-D433 PolarHBondContact OG-N 2.8Å; S406-D433 PolarHBondContact OG-O 2.9Å; S406-D433 PolarHBondContact OG-OD1 3.44Å; G431-D433 PolarHBondContact O-N 3.14Å; D433-D435 PolarHBondContact O-N 3.46Å; D433-D435 WeakPolarHBondContact OD1-CB 3.23Å; D433-D435 PolarHBondContact OD1-N 3.41Å; D433-D435 VanDerWaalsContact OD1-N 3.08Å; D433-G436 PolarHBondContact O-N 2.72Å; D433-P460 WeakPolarHBondContact CA-O 3.32Å; D433-P460 HydrophobicContact CB-CG 4.29Å
434	H	91.7	Very high	93.5	Very high	103 Å²	103	29.1 Å²	29.1	48%	0.477	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-32.2	179.2	61.6	-75.9	0	0	0	114	G436 A437 I461 N465	H434-G436 PolarHBondContact O-N 3.13Å; H434-A437 VanDerWaalsContact O-CB 3.32Å; H434-A437 WeakPolarHBondContact O-CB 3.2Å; H434-A437 PolarHBondContact O-N 3.44Å; H434-I461 VanDerWaalsContact CA-O 3.24Å; H434-I461 WeakPolarHBondContact CA-O 3.29Å; H434-I461 WeakPolarHBondContact CB-O 3.47Å; H434-N465 PolarHBondContact O-ND2 3.13Å; H434-N465 VanDerWaalsContact O-ND2 3.15Å
435	D	92.6	Very high	93.2	Very high	111 Å²	111	31 Å²	31	59%	0.594	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-27.1	178.4	-71.9	-26.6	0	0	0	111.9	D433 A437	D433-D435 PolarHBondContact O-N 3.46Å; D433-D435 WeakPolarHBondContact OD1-CB 3.23Å; D433-D435 PolarHBondContact OD1-N 3.41Å; D433-D435 VanDerWaalsContact OD1-N 3.08Å; D435-A437 VanDerWaalsContact C-N 3.33Å
436	G	94.1	Very high	93	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-76.4	-19.8	179.1	0	0	0	0	0	113.5	S406 D433 H434 A438 S439 I440	S406-G436 VanDerWaalsContact CB-N 3.32Å; S406-G436 WeakPolarHBondContact OG-CA 3.18Å; S406-G436 PolarHBondContact OG-N 2.78Å; D433-G436 PolarHBondContact O-N 2.72Å; H434-G436 PolarHBondContact O-N 3.13Å; G436-A438 VanDerWaalsContact C-N 3.29Å; G436-A438 PolarHBondContact O-N 3.41Å; G436-S439 WeakPolarHBondContact O-CB 3.3Å; G436-S439 PolarHBondContact O-N 2.94Å; G436-I440 WeakPolarHBondContact O-CG1 3.43Å; G436-I440 PolarHBondContact O-N 3.16Å
437	A	91.2	Very high	92.7	Very high	4 Å²	4	36.1 Å²	36.1	3%	0.033	20%	0.198	C	C	.	.	H	α-helix	trans	-58.3	-40.9	-177.2	0	0	0	0	0	112.5	H434 D435 S439 I440 T441 I461 N465	H434-A437 VanDerWaalsContact O-CB 3.32Å; H434-A437 WeakPolarHBondContact O-CB 3.2Å; H434-A437 PolarHBondContact O-N 3.44Å; D435-A437 VanDerWaalsContact C-N 3.33Å; A437-S439 VanDerWaalsContact C-N 3.31Å; A437-S439 PolarHBondContact O-N 3.41Å; A437-I440 PolarHBondContact O-N 3.18Å; A437-T441 PolarHBondContact O-N 3.02Å; A437-T441 PolarHBondContact O-OG1 3.09Å; A437-T441 VanDerWaalsContact O-OG1 3.05Å; A437-I461 HydrophobicContact CB-CG2 4Å; A437-N465 HydrophobicContact CB-CB 3.67Å
438	A	90.6	Very high	92.1	Very high	69 Å²	69	37.7 Å²	37.7	57%	0.57	21%	0.207	S	C	*	.	H	α-helix	trans	-62.1	-40.8	177.7	0	0	0	0	0	111.7	G436 T441 E442	G436-A438 VanDerWaalsContact C-N 3.29Å; G436-A438 PolarHBondContact O-N 3.41Å; A438-T441 PolarHBondContact O-N 3.24Å; A438-E442 WeakPolarHBondContact O-CB 3.31Å; A438-E442 PolarHBondContact O-N 3.43Å
439	S	94.8	Very high	91.7	Very high	8 Å²	8	44.8 Å²	44.8	6%	0.056	24%	0.238	C	C	.	.	H	α-helix	trans	-65.7	-40.4	176.6	-63.1	0	0	0	0	111.7	G436 A437 E442 I443	G436-S439 WeakPolarHBondContact O-CB 3.3Å; G436-S439 PolarHBondContact O-N 2.94Å; A437-S439 VanDerWaalsContact C-N 3.31Å; A437-S439 PolarHBondContact O-N 3.41Å; S439-E442 PolarHBondContact O-N 2.87Å; S439-I443 WeakPolarHBondContact O-CD1 3.44Å; S439-I443 WeakPolarHBondContact O-CG1 3.36Å; S439-I443 PolarHBondContact O-N 2.75Å
440	I	93.6	Very high	91.4	Very high	1 Å²	1	41.6 Å²	41.6	1%	0.005	22%	0.224	C	C	.	.	H	α-helix	trans	-61.7	-50	174.9	-61.4	168.6	0	0	0	110	L409 I432 G436 A437 E442 I443 L444 I454 L456 I461 L469	L409-I440 HydrophobicContact CD2-CD1 4.23Å; L409-I440 HydrophobicContact CD2-CG1 3.52Å; I432-I440 HydrophobicContact CG2-CD1 4.18Å; G436-I440 WeakPolarHBondContact O-CG1 3.43Å; G436-I440 PolarHBondContact O-N 3.16Å; A437-I440 PolarHBondContact O-N 3.18Å; I440-E442 VanDerWaalsContact C-N 3.31Å; I440-E442 PolarHBondContact O-N 3.21Å; I440-I443 PolarHBondContact O-N 3.32Å; I440-L444 HydrophobicContact CG2-CD1 3.91Å; I440-L444 HydrophobicContact CG2-CG 4.17Å; I440-L444 VanDerWaalsContact O-CG 3.3Å; I440-L444 WeakPolarHBondContact O-CG 3.1Å; I440-L444 PolarHBondContact O-N 3.1Å; I440-I454 HydrophobicContact CG2-CD1 3.97Å; I440-L456 HydrophobicContact CD1-CD1 4.1Å; I440-L456 HydrophobicContact CD1-CD2 3.73Å; I440-L456 HydrophobicContact CG1-CD2 4.48Å; I440-L456 HydrophobicContact CG2-CD1 4.28Å; I440-I461 HydrophobicContact CD1-CD1 3.83Å; I440-L469 HydrophobicContact CB-CD2 3.83Å; I440-L469 HydrophobicContact CD1-CD1 4.36Å; I440-L469 HydrophobicContact CG2-CD1 4.43Å; I440-L469 HydrophobicContact CG2-CD2 3.56Å
441	T	90.5	Very high	90.9	Very high	34 Å²	34	41.6 Å²	41.6	21%	0.209	22%	0.224	C	C	.	.	H	α-helix	trans	-55.7	-47.1	179	-60.3	0	0	0	0	111.3	A437 A438 L444 I445 L469	A437-T441 PolarHBondContact O-N 3.02Å; A437-T441 PolarHBondContact O-OG1 3.09Å; A437-T441 VanDerWaalsContact O-OG1 3.05Å; A438-T441 PolarHBondContact O-N 3.24Å; T441-L444 PolarHBondContact O-N 3.38Å; T441-I445 HydrophobicContact CG2-CD1 3.63Å; T441-I445 HydrophobicContact CG2-CG1 4.32Å; T441-I445 WeakPolarHBondContact O-CB 3.49Å; T441-I445 VanDerWaalsContact O-CG1 3.27Å; T441-I445 WeakPolarHBondContact O-CG1 3.46Å; T441-I445 PolarHBondContact O-N 2.97Å; T441-L469 WeakPolarHBondContact OG1-CD2 3.37Å
442	E	91.6	Very high	90.7	Very high	79 Å²	79	44.8 Å²	44.8	37%	0.369	23%	0.23	S	C	.	.	H	α-helix	trans	-62.6	-45.5	178.3	-169.6	-179.6	150.5	0	0	112	K413 I417 A438 S439 I440 L444 I445 E446	K413-E442 HydrophobicContact CD-CB 4.38Å; K413-E442 HydrophobicContact CD-CG 4.38Å; K413-E442 WeakPolarHBondContact CD-OE2 3.5Å; K413-E442 WeakPolarHBondContact CE-OE1 3.41Å; K413-E442 IonicContact NZ-OE1 2.81Å; K413-E442 PolarHBondContact NZ-OE1 3Å; K413-E442 IonicContact NZ-OE2 2.64Å; K413-E442 PolarHBondContact NZ-OE2 3.33Å; I417-E442 HydrophobicContact CD1-CG 4.37Å; A438-E442 WeakPolarHBondContact O-CB 3.31Å; A438-E442 PolarHBondContact O-N 3.43Å; S439-E442 PolarHBondContact O-N 2.87Å; I440-E442 VanDerWaalsContact C-N 3.31Å; I440-E442 PolarHBondContact O-N 3.21Å; E442-L444 VanDerWaalsContact C-N 3.3Å; E442-L444 PolarHBondContact O-N 2.89Å; E442-I445 PolarHBondContact O-N 3.18Å; E442-E446 HydrophobicContact CG-CG 4.4Å; E442-E446 WeakPolarHBondContact O-CB 3.48Å; E442-E446 VanDerWaalsContact O-CG 3.31Å; E442-E446 WeakPolarHBondContact O-CG 3.38Å; E442-E446 PolarHBondContact O-N 2.9Å
443	I	93.2	Very high	90.4	Very high	1 Å²	1	46 Å²	46	1%	0.005	24%	0.236	C	C	.	.	H	α-helix	trans	-56.1	-48.6	174	-67.8	160.4	0	0	0	109.9	L409 K413 L416 I417 S439 I440 T447 F451	L409-I443 HydrophobicContact CD1-CD1 4.04Å; K413-I443 HydrophobicContact CB-CD1 4.47Å; K413-I443 HydrophobicContact CG-CD1 4.24Å; K413-I443 HydrophobicContact CG-CG1 3.85Å; L416-I443 HydrophobicContact CB-CD1 4.43Å; L416-I443 HydrophobicContact CB-CG1 4.49Å; L416-I443 HydrophobicContact CB-CG2 4.49Å; L416-I443 HydrophobicContact CD1-CD1 3.77Å; I417-I443 HydrophobicContact CG1-CG1 4.27Å; S439-I443 WeakPolarHBondContact O-CD1 3.44Å; S439-I443 WeakPolarHBondContact O-CG1 3.36Å; S439-I443 PolarHBondContact O-N 2.75Å; I440-I443 PolarHBondContact O-N 3.32Å; I443-T447 HydrophobicContact CG2-CG2 4.46Å; I443-T447 VanDerWaalsContact O-CB 3.24Å; I443-T447 WeakPolarHBondContact O-CB 3.3Å; I443-T447 WeakPolarHBondContact O-CG2 3.34Å; I443-T447 PolarHBondContact O-N 3.44Å; I443-T447 PolarHBondContact O-OG1 3.5Å; I443-F451 HydrophobicContact CG2-CE2 4.11Å
444	L	90.4	Very high	90.3	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-65.7	-42.5	-176.2	-68.5	-176.9	0	0	0	112.4	I440 T441 E442 T447 T448 F451 I454 A474 V480 I482	I440-L444 HydrophobicContact CG2-CD1 3.91Å; I440-L444 HydrophobicContact CG2-CG 4.17Å; I440-L444 VanDerWaalsContact O-CG 3.3Å; I440-L444 WeakPolarHBondContact O-CG 3.1Å; I440-L444 PolarHBondContact O-N 3.1Å; T441-L444 PolarHBondContact O-N 3.38Å; E442-L444 VanDerWaalsContact C-N 3.3Å; E442-L444 PolarHBondContact O-N 2.89Å; L444-T447 PolarHBondContact O-N 3.42Å; L444-T448 WeakPolarHBondContact O-CA 3.47Å; L444-T448 WeakPolarHBondContact O-CG2 3.47Å; L444-T448 PolarHBondContact O-N 3.04Å; L444-F451 HydrophobicContact CD2-CD1 4.29Å; L444-I454 HydrophobicContact CD2-CD1 4.34Å; L444-I454 HydrophobicContact CD2-CG2 4.27Å; L444-A474 HydrophobicContact CB-CB 3.93Å; L444-V480 HydrophobicContact CD2-CG1 3.91Å; L444-I482 HydrophobicContact CD1-CD1 3.85Å; L444-I482 HydrophobicContact CD1-CG1 4.38Å
445	I	88.4	Confident	90.3	Very high	72 Å²	72	39.3 Å²	39.3	37%	0.369	20%	0.204	S	C	.	.	H	α-helix	trans	-61.8	-52.9	177.7	-70.8	170.9	0	0	0	110.4	T441 E442 T447 T448	T441-I445 HydrophobicContact CG2-CD1 3.63Å; T441-I445 HydrophobicContact CG2-CG1 4.32Å; T441-I445 WeakPolarHBondContact O-CB 3.49Å; T441-I445 VanDerWaalsContact O-CG1 3.27Å; T441-I445 WeakPolarHBondContact O-CG1 3.46Å; T441-I445 PolarHBondContact O-N 2.97Å; E442-I445 PolarHBondContact O-N 3.18Å; I445-T447 PolarHBondContact O-N 3.22Å; I445-T448 WeakPolarHBondContact O-CG2 3.44Å; I445-T448 PolarHBondContact O-N 2.81Å; I445-T448 PolarHBondContact O-OG1 2.9Å; I445-T448 VanDerWaalsContact O-OG1 3.05Å
446	E	90.4	Very high	90.2	Very high	107 Å²	107	34.2 Å²	34.2	50%	0.5	18%	0.177	S	C	.	.	H	α-helix	trans	-69.8	-16.8	-176.3	-66.2	-61.7	148.3	0	0	112.9	I417 E442 F449	I417-E446 HydrophobicContact CD1-CB 4.17Å; I417-E446 HydrophobicContact CD1-CG 4.2Å; I417-E446 HydrophobicContact CG1-CB 4.09Å; I417-E446 HydrophobicContact CG2-CB 3.85Å; E442-E446 HydrophobicContact CG-CG 4.4Å; E442-E446 WeakPolarHBondContact O-CB 3.48Å; E442-E446 VanDerWaalsContact O-CG 3.31Å; E442-E446 WeakPolarHBondContact O-CG 3.38Å; E442-E446 PolarHBondContact O-N 2.9Å; E446-F449 WeakPolarHBondContact O-CE1 3.47Å
447	T	89.4	Confident	90	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-118	10.3	-176.7	70.8	0	0	0	0	114.2	I417 I443 L444 I445 F449 R450 F451	I417-T447 HydrophobicContact CB-CG2 4.44Å; I417-T447 HydrophobicContact CG1-CG2 4.28Å; I443-T447 HydrophobicContact CG2-CG2 4.46Å; I443-T447 VanDerWaalsContact O-CB 3.24Å; I443-T447 WeakPolarHBondContact O-CB 3.3Å; I443-T447 WeakPolarHBondContact O-CG2 3.34Å; I443-T447 PolarHBondContact O-N 3.44Å; I443-T447 PolarHBondContact O-OG1 3.5Å; L444-T447 PolarHBondContact O-N 3.42Å; I445-T447 PolarHBondContact O-N 3.22Å; T447-F449 PolarHBondContact O-N 3.5Å; T447-R450 VanDerWaalsContact CG2-CZ 3.47Å; T447-R450 WeakPolarHBondContact O-CG 3.24Å; T447-R450 PolarHBondContact O-N 2.84Å; T447-F451 WeakPolarHBondContact O-CB 3.44Å; T447-F451 PolarHBondContact O-N 3.44Å; T447-F451 WeakPolarHBondContact OG1-CB 3.47Å; T447-F451 WeakPolarHBondContact OG1-CD2 3.43Å
448	T	82.7	Confident	89.9	Confident	35 Å²	35	37.3 Å²	37.3	22%	0.215	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.7	-33.2	-178.6	42.5	0	0	0	0	115	L444 I445 R450 A474	L444-T448 WeakPolarHBondContact O-CA 3.47Å; L444-T448 WeakPolarHBondContact O-CG2 3.47Å; L444-T448 PolarHBondContact O-N 3.04Å; I445-T448 WeakPolarHBondContact O-CG2 3.44Å; I445-T448 PolarHBondContact O-N 2.81Å; I445-T448 PolarHBondContact O-OG1 2.9Å; I445-T448 VanDerWaalsContact O-OG1 3.05Å; T448-R450 VanDerWaalsContact C-N 3.31Å; T448-R450 PolarHBondContact O-N 3.48Å; T448-A474 HydrophobicContact CG2-CB 3.59Å
449	F	84.3	Confident	89.9	Confident	153 Å²	153	34.9 Å²	34.9	67%	0.671	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-24.3	-179	64.9	-89	0	0	0	113.4	E446 T447	E446-F449 WeakPolarHBondContact O-CE1 3.47Å; T447-F449 PolarHBondContact O-N 3.5Å
450	R	88.7	Confident	89.7	Confident	16 Å²	16	38.5 Å²	38.5	6%	0.06	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122	-38.9	-173.9	61.7	173.6	173.1	83.9	-7.6	114.7	L416 I417 C419 P420 L422 T447 T448 K452	L416-R450 PolarHBondContact O-NH2 2.75Å; I417-R450 VanDerWaalsContact C-NH2 3.27Å; I417-R450 PolarHBondContact O-NH2 3.46Å; C419-R450 PolarHBondContact O-NE 3.42Å; C419-R450 PolarHBondContact O-NH1 2.94Å; C419-R450 PolarHBondContact O-NH2 3.48Å; C419-R450 VanDerWaalsContact O-NH2 3.09Å; P420-R450 VanDerWaalsContact O-CD 3.3Å; P420-R450 WeakPolarHBondContact O-CD 3.42Å; L422-R450 PolarHBondContact O-NH1 2.68Å; T447-R450 VanDerWaalsContact CG2-CZ 3.47Å; T447-R450 WeakPolarHBondContact O-CG 3.24Å; T447-R450 PolarHBondContact O-N 2.84Å; T448-R450 VanDerWaalsContact C-N 3.31Å; T448-R450 PolarHBondContact O-N 3.48Å; R450-K452 WeakPolarHBondContact O-CG 3.34Å
451	F	87.1	Confident	89.5	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.205	C	C	.	.			trans	-63.8	140.6	-174.9	-134.8	-85.3	0	0	0	109.9	L422 L425 I443 L444 T447 I453 I454 V480	L422-F451 HydrophobicContact CD2-CE2 4.4Å; L425-F451 HydrophobicContact CB-CE1 3.86Å; L425-F451 HydrophobicContact CB-CE2 4.43Å; L425-F451 HydrophobicContact CB-CZ 3.36Å; L425-F451 HydrophobicContact CD2-CZ 4.02Å; L425-F451 HydrophobicContact CG-CZ 4.34Å; I443-F451 HydrophobicContact CG2-CE2 4.11Å; L444-F451 HydrophobicContact CD2-CD1 4.29Å; T447-F451 WeakPolarHBondContact O-CB 3.44Å; T447-F451 PolarHBondContact O-N 3.44Å; T447-F451 WeakPolarHBondContact OG1-CB 3.47Å; T447-F451 WeakPolarHBondContact OG1-CD2 3.43Å; F451-I453 VanDerWaalsContact CE1-O 3.26Å; F451-I453 WeakPolarHBondContact CE1-O 3.35Å; F451-I454 HydrophobicContact CE1-CB 3.89Å; F451-I454 HydrophobicContact CE1-CG1 4.4Å; F451-V480 HydrophobicContact CB-CG2 4.27Å; F451-V480 HydrophobicContact CD1-CG1 4.25Å
452	K	89.3	Confident	89.3	Confident	94 Å²	94	38.8 Å²	38.8	41%	0.409	22%	0.215	S	C	.	.			trans	-126.4	-41.2	-175.5	-61	-59.1	171.6	-164.6	0	112.7	K423 R450 R481	K423-K452 HydrophobicContact CB-CG 4.24Å; K423-K452 HydrophobicContact CG-CG 4.5Å; K423-K452 PolarHBondContact O-N 3.34Å; R450-K452 WeakPolarHBondContact O-CG 3.34Å; K452-R481 PolarHBondContact O-N 3.18Å
453	I	90.4	Very high	88.8	Confident	25 Å²	25	39 Å²	39	13%	0.128	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	127.7	-173.9	-55.1	177.7	0	0	0	109.8	K423 R424 L425 F451 R481 I483 W576	K423-I453 PolarHBondContact O-N 3.35Å; K423-I453 VanDerWaalsContact O-N 3.09Å; R424-I453 CarbonylContact C-O 3.59Å; R424-I453 VanDerWaalsContact CA-O 3.29Å; R424-I453 WeakPolarHBondContact CA-O 3.43Å; R424-I453 HydrophobicContact CB-CB 4.42Å; R424-I453 HydrophobicContact CG-CB 4.33Å; L425-I453 PolarHBondContact N-O 2.94Å; F451-I453 VanDerWaalsContact CE1-O 3.26Å; F451-I453 WeakPolarHBondContact CE1-O 3.35Å; I453-R481 WeakPolarHBondContact CA-O 3.16Å; I453-R481 HydrophobicContact CG1-CB 4.47Å; I453-I483 HydrophobicContact CG2-CD1 3.73Å; I453-W576 HydrophobicContact CG2-CH2 4.39Å; I453-W576 HydrophobicContact CG2-CZ3 4.21Å
454	I	91.6	Very high	88.3	Confident	1 Å²	1	46 Å²	46	1%	0.005	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	130.8	166.6	-167.1	169.9	0	0	0	109.3	L425 I427 I440 L444 F451 L456 V480 R481 I482 I483	L425-I454 HydrophobicContact CB-CG1 4.46Å; L425-I454 HydrophobicContact CD2-CD1 4.29Å; L425-I454 WeakPolarHBondContact O-CA 3.47Å; I427-I454 HydrophobicContact CD1-CD1 4.18Å; I427-I454 HydrophobicContact CD1-CG1 4.39Å; I427-I454 HydrophobicContact CG1-CG1 4.44Å; I440-I454 HydrophobicContact CG2-CD1 3.97Å; L444-I454 HydrophobicContact CD2-CD1 4.34Å; L444-I454 HydrophobicContact CD2-CG2 4.27Å; F451-I454 HydrophobicContact CE1-CB 3.89Å; F451-I454 HydrophobicContact CE1-CG1 4.4Å; I454-L456 HydrophobicContact CD1-CD2 3.88Å; I454-L456 HydrophobicContact CG1-CD2 3.86Å; I454-L456 HydrophobicContact CG1-CG 4.3Å; I454-V480 HydrophobicContact CG2-CG1 4.33Å; I454-R481 PolarHBondContact N-O 2.94Å; I454-I482 HydrophobicContact CG2-CB 3.99Å; I454-I482 HydrophobicContact CG2-CG1 3.66Å; I454-I482 HydrophobicContact CG2-CG2 3.88Å; I454-I482 CarbonylContact O-C 3.5Å; I454-I482 WeakPolarHBondContact O-CA 3.28Å; I454-I483 PolarHBondContact O-N 3.43Å
455	D	91.4	Very high	88.1	Confident	15 Å²	15	48.3 Å²	48.3	8%	0.08	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	113.1	175.9	-176.7	5.6	0	0	0	110.2	L425 I427 A428 T457 I483 W576	L425-D455 PolarHBondContact O-N 3.15Å; I427-D455 CarbonylContact C-O 3.53Å; I427-D455 WeakPolarHBondContact CG1-O 3.48Å; I427-D455 PolarHBondContact N-O 2.72Å; I427-D455 VanDerWaalsContact N-O 3.1Å; A428-D455 PolarHBondContact N-O 3.09Å; A428-D455 VanDerWaalsContact N-O 3.15Å; D455-T457 VanDerWaalsContact OD1-CB 3.23Å; D455-T457 WeakPolarHBondContact OD1-CB 3.48Å; D455-T457 PolarHBondContact OD1-N 3.12Å; D455-T457 PolarHBondContact OD1-OG1 2.91Å; D455-I483 HydrophobicContact CB-CB 4.29Å; D455-W576 HydrophobicContact CB-CH2 3.68Å; D455-W576 HydrophobicContact CB-CZ2 3.8Å
456	L	91.6	Very high	87.8	Confident	5 Å²	5	45.4 Å²	45.4	3%	0.026	25%	0.248	C	C	.	.			trans	-108.2	7.2	-178.3	-58.2	-177.7	0	0	0	112.4	I427 I440 I454 G458 N459 I461 L469 I482 I483 L485	I427-L456 HydrophobicContact CD1-CD2 3.49Å; I427-L456 VanDerWaalsContact CD1-CD2 3.49Å; I427-L456 HydrophobicContact CG1-CD2 3.84Å; I440-L456 HydrophobicContact CD1-CD1 4.1Å; I440-L456 HydrophobicContact CD1-CD2 3.73Å; I440-L456 HydrophobicContact CG1-CD2 4.48Å; I440-L456 HydrophobicContact CG2-CD1 4.28Å; I454-L456 HydrophobicContact CD1-CD2 3.88Å; I454-L456 HydrophobicContact CG1-CD2 3.86Å; I454-L456 HydrophobicContact CG1-CG 4.3Å; L456-G458 PolarHBondContact O-N 3.1Å; L456-N459 WeakPolarHBondContact O-CB 3.47Å; L456-N459 PolarHBondContact O-N 3.17Å; L456-N459 PolarHBondContact O-ND2 3.01Å; L456-I461 HydrophobicContact CB-CD1 4.32Å; L456-I461 HydrophobicContact CD1-CD1 4.12Å; L456-L469 HydrophobicContact CD1-CD1 4.06Å; L456-I482 HydrophobicContact CD1-CG2 3.67Å; L456-I482 HydrophobicContact CG-CG2 4.09Å; L456-I483 PolarHBondContact N-O 3.15Å; L456-L485 HydrophobicContact CD1-CG 4.5Å
457	T	89.6	Confident	87.3	Confident	22 Å²	22	42.4 Å²	42.4	14%	0.135	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.2	134.7	-174.2	-55.8	0	0	0	0	112.2	A428 F429 D455 N459 G484	A428-T457 CarbonylContact C-O 3.5Å; A428-T457 WeakPolarHBondContact CA-O 3.4Å; A428-T457 VanDerWaalsContact CB-O 3.28Å; A428-T457 WeakPolarHBondContact CB-O 3.45Å; F429-T457 HydrophobicContact CE2-CG2 4Å; F429-T457 HydrophobicContact CZ-CG2 4.09Å; F429-T457 PolarHBondContact N-O 2.77Å; D455-T457 VanDerWaalsContact OD1-CB 3.23Å; D455-T457 WeakPolarHBondContact OD1-CB 3.48Å; D455-T457 PolarHBondContact OD1-N 3.12Å; D455-T457 PolarHBondContact OD1-OG1 2.91Å; T457-N459 VanDerWaalsContact C-N 3.29Å; T457-N459 PolarHBondContact O-N 3.47Å; T457-G484 VanDerWaalsContact OG1-CA 3.29Å; T457-G484 WeakPolarHBondContact OG1-CA 3.49Å
458	G	87.7	Confident	86.9	Confident	46 Å²	46	45 Å²	45	47%	0.474	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.9	16.3	173.2	0	0	0	0	0	115.9	L456	L456-G458 PolarHBondContact O-N 3.1Å
459	N	91.5	Very high	86.9	Confident	19 Å²	19	43.4 Å²	43.4	10%	0.102	25%	0.247	C	C	.	.			trans	-93.6	134.4	172.1	-73	-60.9	0	0	0	111.4	I427 C430 G431 I432 L456 T457 I461	I427-N459 PolarHBondContact O-ND2 2.63Å; C430-N459 PolarHBondContact N-OD1 3.25Å; G431-N459 PolarHBondContact N-OD1 3.01Å; I432-N459 HydrophobicContact CB-CB 4.09Å; I432-N459 PolarHBondContact N-OD1 3.38Å; I432-N459 VanDerWaalsContact N-OD1 3.09Å; I432-N459 CarbonylContact O-C 3.55Å; I432-N459 WeakPolarHBondContact O-CB 3.36Å; L456-N459 WeakPolarHBondContact O-CB 3.47Å; L456-N459 PolarHBondContact O-N 3.17Å; L456-N459 PolarHBondContact O-ND2 3.01Å; T457-N459 VanDerWaalsContact C-N 3.29Å; T457-N459 PolarHBondContact O-N 3.47Å; N459-I461 HydrophobicContact CB-CD1 4.11Å; N459-I461 HydrophobicContact CB-CG1 3.97Å; N459-I461 PolarHBondContact O-N 3Å
460	P	90.9	Very high	86.5	Confident	84 Å²	84	36.3 Å²	36.3	55%	0.545	22%	0.216	S	C	.	.			trans	-77	49.7	-178.3	34.1	-38.6	0	0	0	113.7	I432 D433 G462	I432-P460 CarbonylContact O-C 3.42Å; I432-P460 WeakPolarHBondContact O-CD 3.38Å; D433-P460 WeakPolarHBondContact CA-O 3.32Å; D433-P460 HydrophobicContact CB-CG 4.29Å; P460-G462 PolarHBondContact O-N 2.88Å
461	I	89.6	Confident	85.9	Confident	2 Å²	2	37.8 Å²	37.8	1%	0.01	23%	0.225	C	C	.	.			trans	-65	-28.4	-176.2	-64.4	172.1	0	0	0	112.1	I432 H434 A437 I440 L456 N459 N465 L469	I432-I461 HydrophobicContact CG2-CG1 4.34Å; I432-I461 WeakPolarHBondContact O-CG1 3.38Å; I432-I461 PolarHBondContact O-N 3.41Å; H434-I461 VanDerWaalsContact CA-O 3.24Å; H434-I461 WeakPolarHBondContact CA-O 3.29Å; H434-I461 WeakPolarHBondContact CB-O 3.47Å; A437-I461 HydrophobicContact CB-CG2 4Å; I440-I461 HydrophobicContact CD1-CD1 3.83Å; L456-I461 HydrophobicContact CB-CD1 4.32Å; L456-I461 HydrophobicContact CD1-CD1 4.12Å; N459-I461 HydrophobicContact CB-CD1 4.11Å; N459-I461 HydrophobicContact CB-CG1 3.97Å; N459-I461 PolarHBondContact O-N 3Å; I461-N465 HydrophobicContact CG2-CB 3.57Å; I461-N465 WeakPolarHBondContact O-CB 3.21Å; I461-L469 HydrophobicContact CD1-CD1 4.3Å; I461-L469 HydrophobicContact CG2-CD1 4.2Å
462	G	85.6	Confident	85.2	Confident	39 Å²	39	38.2 Å²	38.2	40%	0.402	23%	0.228	S	C	.	.			trans	86.3	146.9	-176.1	0	0	0	0	0	112.6	P460 E464 N465 C466	P460-G462 PolarHBondContact O-N 2.88Å; G462-E464 VanDerWaalsContact C-N 3.35Å; G462-E464 PolarHBondContact O-N 2.97Å; G462-N465 PolarHBondContact O-N 3.22Å; G462-C466 WeakPolarHBondContact O-CB 3.27Å; G462-C466 PolarHBondContact O-N 3.05Å; G462-C466 PolarHBondContact O-SG 2.89Å
463	I	81.1	Confident	83.8	Confident	82 Å²	82	36.6 Å²	36.6	42%	0.421	23%	0.229	S	C	.	.	H	α-helix	trans	-62	-41.2	-170.8	-61	174.1	0	0	0	111.8	N465 C466 L467 L492	I463-N465 PolarHBondContact O-N 2.96Å; I463-C466 WeakPolarHBondContact O-CB 3.26Å; I463-C466 PolarHBondContact O-N 3.39Å; I463-L467 HydrophobicContact CG2-CD1 4.49Å; I463-L467 PolarHBondContact O-N 3.03Å; I463-L492 HydrophobicContact CG2-CD1 3.98Å; I463-L492 HydrophobicContact CG2-CD2 3.88Å; I463-L492 HydrophobicContact CG2-CG 4.46Å
464	E	83.6	Confident	82.3	Confident	149 Å²	149	35.4 Å²	35.4	70%	0.696	22%	0.223	S	C	*	.	H	α-helix	trans	-61.6	-44.5	-179.9	-63.4	-175.6	175.8	0	0	111.5	G462 L467 A468	G462-E464 VanDerWaalsContact C-N 3.35Å; G462-E464 PolarHBondContact O-N 2.97Å; E464-L467 WeakPolarHBondContact O-CB 2.99Å; E464-L467 PolarHBondContact O-N 3.12Å; E464-A468 PolarHBondContact O-N 3.25Å
465	N	85.5	Confident	80.9	Confident	49 Å²	49	38.3 Å²	38.3	26%	0.262	23%	0.234	S	C	.	.	H	α-helix	trans	-74.2	-32.9	179.4	-65.6	67.7	0	0	0	112	H434 A437 I461 G462 I463 L467 A468 L469	H434-N465 PolarHBondContact O-ND2 3.13Å; H434-N465 VanDerWaalsContact O-ND2 3.15Å; A437-N465 HydrophobicContact CB-CB 3.67Å; I461-N465 HydrophobicContact CG2-CB 3.57Å; I461-N465 WeakPolarHBondContact O-CB 3.21Å; G462-N465 PolarHBondContact O-N 3.22Å; I463-N465 PolarHBondContact O-N 2.96Å; N465-L467 VanDerWaalsContact C-N 3.33Å; N465-A468 PolarHBondContact O-N 2.83Å; N465-L469 WeakPolarHBondContact O-CG 3.15Å; N465-L469 PolarHBondContact O-N 2.98Å
466	C	82.8	Confident	79.3	Confident	11 Å²	11	41 Å²	41	7%	0.074	25%	0.248	C	C	.	.	H	α-helix	trans	-60.6	-42.1	168.9	-71.4	0	0	0	0	111.6	G462 I463 L469 L470 L485	G462-C466 WeakPolarHBondContact O-CB 3.27Å; G462-C466 PolarHBondContact O-N 3.05Å; G462-C466 PolarHBondContact O-SG 2.89Å; I463-C466 WeakPolarHBondContact O-CB 3.26Å; I463-C466 PolarHBondContact O-N 3.39Å; C466-L469 PolarHBondContact O-N 3.23Å; C466-L470 WeakPolarHBondContact O-CG 3.4Å; C466-L470 PolarHBondContact O-N 3.2Å; C466-L485 HydrophobicContact CB-CD2 3.76Å; C466-L485 WeakPolarHBondContact SG-CD2 3.49Å
467	L	78.2	Confident	78.1	Confident	44 Å²	44	45.2 Å²	45.2	23%	0.23	27%	0.27	C	S	.	.	H	α-helix	trans	-62.4	-43.4	173.3	-79.9	169.3	0	0	0	111.9	I463 E464 N465 L469 L470 N471 L492	I463-L467 HydrophobicContact CG2-CD1 4.49Å; I463-L467 PolarHBondContact O-N 3.03Å; E464-L467 WeakPolarHBondContact O-CB 2.99Å; E464-L467 PolarHBondContact O-N 3.12Å; N465-L467 VanDerWaalsContact C-N 3.33Å; L467-L469 VanDerWaalsContact C-N 3.29Å; L467-L469 PolarHBondContact O-N 3Å; L467-L470 PolarHBondContact O-N 3.04Å; L467-N471 WeakPolarHBondContact O-CB 3.5Å; L467-N471 VanDerWaalsContact O-CG 3.25Å; L467-N471 PolarHBondContact O-N 3.3Å; L467-N471 PolarHBondContact O-ND2 3.05Å; L467-L492 HydrophobicContact CD1-CD2 4Å; L467-L492 HydrophobicContact CD1-CG 4.23Å; L467-L492 HydrophobicContact CD2-CB 4.17Å; L467-L492 HydrophobicContact CD2-CD2 3.38Å; L467-L492 HydrophobicContact CD2-CG 3.64Å; L467-L492 HydrophobicContact CG-CD2 3.38Å; L467-L492 HydrophobicContact CG-CG 4Å
468	A	81.3	Confident	77.2	Confident	55 Å²	55	47.2 Å²	47.2	46%	0.455	30%	0.296	S	S	.	.	H	α-helix	trans	-60.3	-40.2	176	0	0	0	0	0	111.9	E464 N465 N471 S472	E464-A468 PolarHBondContact O-N 3.25Å; N465-A468 PolarHBondContact O-N 2.83Å; A468-N471 PolarHBondContact O-N 2.87Å; A468-S472 PolarHBondContact O-N 3.4Å
469	L	83.6	Confident	76.8	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-64.5	-43.2	174.8	-73.6	169.1	0	0	0	112.4	I440 T441 L456 I461 N465 C466 L467 N471 S472 L485	I440-L469 HydrophobicContact CB-CD2 3.83Å; I440-L469 HydrophobicContact CD1-CD1 4.36Å; I440-L469 HydrophobicContact CG2-CD1 4.43Å; I440-L469 HydrophobicContact CG2-CD2 3.56Å; T441-L469 WeakPolarHBondContact OG1-CD2 3.37Å; L456-L469 HydrophobicContact CD1-CD1 4.06Å; I461-L469 HydrophobicContact CD1-CD1 4.3Å; I461-L469 HydrophobicContact CG2-CD1 4.2Å; N465-L469 WeakPolarHBondContact O-CG 3.15Å; N465-L469 PolarHBondContact O-N 2.98Å; C466-L469 PolarHBondContact O-N 3.23Å; L467-L469 VanDerWaalsContact C-N 3.29Å; L467-L469 PolarHBondContact O-N 3Å; L469-N471 VanDerWaalsContact C-N 3.25Å; L469-N471 PolarHBondContact O-N 2.57Å; L469-S472 VanDerWaalsContact O-CB 3.26Å; L469-S472 WeakPolarHBondContact O-CB 3.36Å; L469-S472 PolarHBondContact O-N 3.03Å; L469-S472 VanDerWaalsContact O-N 3.09Å; L469-S472 PolarHBondContact O-OG 3.37Å; L469-L485 HydrophobicContact CB-CD1 4.2Å
470	L	75.7	Confident	76.4	Confident	4 Å²	4	49.1 Å²	49.1	2%	0.021	29%	0.29	C	S	.	.	H	α-helix	trans	-64.9	-30.3	175.4	-69.9	172.7	0	0	0	112.5	C466 L467 S472 Y475 L485 M493 A496	C466-L470 WeakPolarHBondContact O-CG 3.4Å; C466-L470 PolarHBondContact O-N 3.2Å; L467-L470 PolarHBondContact O-N 3.04Å; L470-S472 VanDerWaalsContact C-N 3.26Å; L470-S472 PolarHBondContact O-N 2.94Å; L470-Y475 HydrophobicContact CB-CD1 4.4Å; L470-Y475 HydrophobicContact CB-CE1 4.49Å; L470-Y475 HydrophobicContact CD2-CD1 4.02Å; L470-Y475 HydrophobicContact CD2-CD2 4.28Å; L470-Y475 HydrophobicContact CD2-CE1 3.62Å; L470-Y475 HydrophobicContact CD2-CE2 3.93Å; L470-Y475 HydrophobicContact CD2-CG 4.3Å; L470-Y475 WeakPolarHBondContact O-CD1 3.34Å; L470-L485 HydrophobicContact CD2-CB 4.28Å; L470-L485 HydrophobicContact CD2-CD1 3.81Å; L470-L485 HydrophobicContact CG-CD1 3.98Å; L470-M493 HydrophobicContact CD1-SD 4.21Å; L470-M493 HydrophobicContact CD2-SD 4.17Å; L470-A496 HydrophobicContact CB-CB 4.13Å
471	N	75.7	Confident	76.1	Confident	48 Å²	48	52 Å²	52	26%	0.257	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-1.9	175.4	-67.4	-22.4	0	0	0	113	L467 A468 L469 L476 A496	L467-N471 WeakPolarHBondContact O-CB 3.5Å; L467-N471 VanDerWaalsContact O-CG 3.25Å; L467-N471 PolarHBondContact O-N 3.3Å; L467-N471 PolarHBondContact O-ND2 3.05Å; A468-N471 PolarHBondContact O-N 2.87Å; L469-N471 VanDerWaalsContact C-N 3.25Å; L469-N471 PolarHBondContact O-N 2.57Å; N471-L476 WeakPolarHBondContact O-CD1 3.3Å; N471-A496 WeakPolarHBondContact OD1-CA 3.43Å; N471-A496 WeakPolarHBondContact OD1-CB 3.16Å
472	S	72.9	Confident	75.9	Confident	9 Å²	9	52.4 Å²	52.4	6%	0.063	29%	0.292	C	S	.	.	S	Bend	trans	-68.2	142.9	174.4	73.4	0	0	0	0	111	A468 L469 L470 A474 Y475 L476	A468-S472 PolarHBondContact O-N 3.4Å; L469-S472 VanDerWaalsContact O-CB 3.26Å; L469-S472 WeakPolarHBondContact O-CB 3.36Å; L469-S472 PolarHBondContact O-N 3.03Å; L469-S472 VanDerWaalsContact O-N 3.09Å; L469-S472 PolarHBondContact O-OG 3.37Å; L470-S472 VanDerWaalsContact C-N 3.26Å; L470-S472 PolarHBondContact O-N 2.94Å; S472-A474 PolarHBondContact O-N 3.15Å; S472-A474 VanDerWaalsContact O-N 3.12Å; S472-Y475 PolarHBondContact O-N 2.78Å; S472-L476 PolarHBondContact O-N 2.99Å; S472-L476 VanDerWaalsContact O-N 3.16Å
473	S	60.2	Low	75.9	Confident	60 Å²	60	51.1 Å²	51.1	42%	0.42	28%	0.276	S	S	.	.	H	α-helix	trans	-54.3	-34.6	-178.3	55.4	0	0	0	0	113.5	Y475 L476 D477	S473-Y475 PolarHBondContact O-N 3.03Å; S473-L476 PolarHBondContact O-N 2.81Å; S473-D477 PolarHBondContact O-N 3.49Å
474	A	59.6	Low	75.7	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-55.5	-38	177.1	0	0	0	0	0	113.1	L444 T448 S472 K479 V480	L444-A474 HydrophobicContact CB-CB 3.93Å; T448-A474 HydrophobicContact CG2-CB 3.59Å; S472-A474 PolarHBondContact O-N 3.15Å; S472-A474 VanDerWaalsContact O-N 3.12Å; A474-K479 PolarHBondContact O-N 3.31Å; A474-V480 HydrophobicContact CB-CG2 4.13Å; A474-V480 PolarHBondContact O-N 2.91Å
475	Y	62.1	Low	75	Confident	62 Å²	62	41.3 Å²	41.3	24%	0.243	23%	0.233	C	C	.	.	H	α-helix	trans	-84.9	-41.2	179	-174.8	-98.3	0	0	0	112	L470 S472 S473 D477 G478 I482 M493	L470-Y475 HydrophobicContact CB-CD1 4.4Å; L470-Y475 HydrophobicContact CB-CE1 4.49Å; L470-Y475 HydrophobicContact CD2-CD1 4.02Å; L470-Y475 HydrophobicContact CD2-CD2 4.28Å; L470-Y475 HydrophobicContact CD2-CE1 3.62Å; L470-Y475 HydrophobicContact CD2-CE2 3.93Å; L470-Y475 HydrophobicContact CD2-CG 4.3Å; L470-Y475 WeakPolarHBondContact O-CD1 3.34Å; S472-Y475 PolarHBondContact O-N 2.78Å; S473-Y475 PolarHBondContact O-N 3.03Å; Y475-D477 PolarHBondContact O-N 2.98Å; Y475-G478 WeakPolarHBondContact O-CA 3.35Å; Y475-G478 PolarHBondContact O-N 3.16Å; Y475-I482 HydrophobicContact CD2-CD1 3.97Å; Y475-I482 HydrophobicContact CD2-CG1 4.19Å; Y475-I482 HydrophobicContact CG-CD1 4.46Å; Y475-M493 HydrophobicContact CE1-SD 4.31Å; Y475-M493 WeakPolarHBondContact OH-CE 3.46Å; Y475-M493 PolarHBondContact OH-SD 3.21Å
476	L	57.6	Low	73.6	Confident	70 Å²	70	43.7 Å²	43.7	37%	0.366	24%	0.242	S	C	.	.	H	α-helix	trans	-58.7	-33	178.6	-66.7	177.2	0	0	0	112.3	N471 S472 S473 G478	N471-L476 WeakPolarHBondContact O-CD1 3.3Å; S472-L476 PolarHBondContact O-N 2.99Å; S472-L476 VanDerWaalsContact O-N 3.16Å; S473-L476 PolarHBondContact O-N 2.81Å; L476-G478 VanDerWaalsContact C-N 3.26Å; L476-G478 PolarHBondContact O-N 3.42Å
477	D	65.7	Low	72.1	Confident	94 Å²	94	49.2 Å²	49.2	50%	0.503	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-4.4	174.8	-75.5	-6.3	0	0	0	114.1	S473 Y475 K479	S473-D477 PolarHBondContact O-N 3.49Å; Y475-D477 PolarHBondContact O-N 2.98Å; D477-K479 HydrophobicContact CB-CB 4.42Å; D477-K479 HydrophobicContact CB-CD 3.73Å; D477-K479 HydrophobicContact CB-CG 3.84Å; D477-K479 PolarHBondContact O-N 3.25Å; D477-K479 VanDerWaalsContact O-N 3.14Å; D477-K479 WeakPolarHBondContact OD2-CE 3.39Å; D477-K479 IonicContact OD2-NZ 3.98Å; D477-K479 PolarHBondContact OD2-NZ 3.32Å
478	G	71.1	Confident	70.6	Confident	65 Å²	65	48.9 Å²	48.9	67%	0.67	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	64	14.3	-174.9	0	0	0	0	0	114.3	Y475 L476	Y475-G478 WeakPolarHBondContact O-CA 3.35Å; Y475-G478 PolarHBondContact O-N 3.16Å; L476-G478 VanDerWaalsContact C-N 3.26Å; L476-G478 PolarHBondContact O-N 3.42Å
479	K	78.8	Confident	68.9	Low	101 Å²	101	49.9 Å²	49.9	44%	0.439	26%	0.264	S	S	.	.			trans	-77.4	-33.6	-175.1	-74.8	170.3	-176.9	159.8	0	112.8	A474 D477	A474-K479 PolarHBondContact O-N 3.31Å; D477-K479 HydrophobicContact CB-CB 4.42Å; D477-K479 HydrophobicContact CB-CD 3.73Å; D477-K479 HydrophobicContact CB-CG 3.84Å; D477-K479 PolarHBondContact O-N 3.25Å; D477-K479 VanDerWaalsContact O-N 3.14Å; D477-K479 WeakPolarHBondContact OD2-CE 3.39Å; D477-K479 IonicContact OD2-NZ 3.98Å; D477-K479 PolarHBondContact OD2-NZ 3.32Å
480	V	83.8	Confident	67.5	Low	3 Å²	3	54.8 Å²	54.8	2%	0.018	30%	0.299	C	S	.	.	S	Bend	trans	-116.9	123.5	-179.5	-171.7	0	0	0	0	110.1	L444 F451 I454 A474 I482	L444-V480 HydrophobicContact CD2-CG1 3.91Å; F451-V480 HydrophobicContact CB-CG2 4.27Å; F451-V480 HydrophobicContact CD1-CG1 4.25Å; I454-V480 HydrophobicContact CG2-CG1 4.33Å; A474-V480 HydrophobicContact CB-CG2 4.13Å; A474-V480 PolarHBondContact O-N 2.91Å; V480-I482 HydrophobicContact CG1-CG1 4.47Å
481	R	84.1	Confident	66.5	Low	146 Å²	146	57.7 Å²	57.7	55%	0.551	32%	0.319	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.9	114.6	168.8	-177.9	177.3	169.8	-179.1	-4.2	109.2	K452 I453 I454 I483	K452-R481 PolarHBondContact O-N 3.18Å; I453-R481 WeakPolarHBondContact CA-O 3.16Å; I453-R481 HydrophobicContact CG1-CB 4.47Å; I454-R481 PolarHBondContact N-O 2.94Å; R481-I483 HydrophobicContact CG-CG1 4.1Å
482	I	85.3	Confident	65.3	Low	9 Å²	9	56.4 Å²	56.4	5%	0.046	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	123	171.7	-53	174.2	0	0	0	108	L444 I454 L456 Y475 V480 L485	L444-I482 HydrophobicContact CD1-CD1 3.85Å; L444-I482 HydrophobicContact CD1-CG1 4.38Å; I454-I482 HydrophobicContact CG2-CB 3.99Å; I454-I482 HydrophobicContact CG2-CG1 3.66Å; I454-I482 HydrophobicContact CG2-CG2 3.88Å; I454-I482 CarbonylContact O-C 3.5Å; I454-I482 WeakPolarHBondContact O-CA 3.28Å; L456-I482 HydrophobicContact CD1-CG2 3.67Å; L456-I482 HydrophobicContact CG-CG2 4.09Å; Y475-I482 HydrophobicContact CD2-CD1 3.97Å; Y475-I482 HydrophobicContact CD2-CG1 4.19Å; Y475-I482 HydrophobicContact CG-CD1 4.46Å; V480-I482 HydrophobicContact CG1-CG1 4.47Å; I482-L485 HydrophobicContact CB-CD1 4.13Å; I482-L485 HydrophobicContact CD1-CD1 4.17Å; I482-L485 HydrophobicContact CG2-CB 4.41Å; I482-L485 HydrophobicContact CG2-CD1 3.4Å; I482-L485 HydrophobicContact CG2-CG 3.62Å
483	I	84.9	Confident	64.5	Low	13 Å²	13	58.4 Å²	58.4	7%	0.067	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	141.5	-179.6	-60.8	169	0	0	0	108.9	I453 I454 D455 L456 R481 L575	I453-I483 HydrophobicContact CG2-CD1 3.73Å; I454-I483 PolarHBondContact O-N 3.43Å; D455-I483 HydrophobicContact CB-CB 4.29Å; L456-I483 PolarHBondContact N-O 3.15Å; R481-I483 HydrophobicContact CG-CG1 4.1Å; I483-L575 HydrophobicContact CD1-CD1 3.64Å; I483-L575 HydrophobicContact CD1-CD2 3.49Å; I483-L575 VanDerWaalsContact CD1-CD2 3.49Å; I483-L575 HydrophobicContact CD1-CG 3.96Å
484	G	77.9	Confident	64.4	Low	14 Å²	14	61.5 Å²	61.5	14%	0.144	33%	0.329	C	S	.	.	S	Bend	trans	96.5	-11.8	178.3	0	0	0	0	0	114.1	T457 E486	T457-G484 VanDerWaalsContact OG1-CA 3.29Å; T457-G484 WeakPolarHBondContact OG1-CA 3.49Å; G484-E486 PolarHBondContact N-OE2 3.21Å
485	L	69.4	Low	64.3	Low	11 Å²	11	64.4 Å²	64.4	6%	0.058	35%	0.349	C	S	.	.	S	Bend	trans	-82.4	-25.6	171.2	-65.5	-174.8	0	0	0	111.8	L456 C466 L469 L470 I482 F487 Q488	L456-L485 HydrophobicContact CD1-CG 4.5Å; C466-L485 HydrophobicContact CB-CD2 3.76Å; C466-L485 WeakPolarHBondContact SG-CD2 3.49Å; L469-L485 HydrophobicContact CB-CD1 4.2Å; L470-L485 HydrophobicContact CD2-CB 4.28Å; L470-L485 HydrophobicContact CD2-CD1 3.81Å; L470-L485 HydrophobicContact CG-CD1 3.98Å; I482-L485 HydrophobicContact CB-CD1 4.13Å; I482-L485 HydrophobicContact CD1-CD1 4.17Å; I482-L485 HydrophobicContact CG2-CB 4.41Å; I482-L485 HydrophobicContact CG2-CD1 3.4Å; I482-L485 HydrophobicContact CG2-CG 3.62Å; L485-F487 PolarHBondContact O-N 3.03Å; L485-Q488 PolarHBondContact O-N 3.41Å; L485-Q488 VanDerWaalsContact O-N 3.16Å
486	E	55.9	Low	63.9	Low	99 Å²	99	61.6 Å²	61.6	46%	0.463	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-14.2	178.7	62.7	-94	-155.2	0	0	114.4	G484 Q488	G484-E486 PolarHBondContact N-OE2 3.21Å; E486-Q488 PolarHBondContact O-N 3.36Å
487	F	51.3	Low	64	Low	127 Å²	127	65.9 Å²	65.9	56%	0.557	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	3.3	174.1	-69.5	-80.2	0	0	0	113.3	L485	L485-F487 PolarHBondContact O-N 3.03Å
488	Q	46.1	Very low	63.8	Low	36 Å²	36	66.8 Å²	66.8	17%	0.168	35%	0.351	C	S	.	.	S	Bend	trans	-91.3	141.5	169.4	-60.7	-58.5	-45.1	0	0	110.1	L485 E486 S490 L492	L485-Q488 PolarHBondContact O-N 3.41Å; L485-Q488 VanDerWaalsContact O-N 3.16Å; E486-Q488 PolarHBondContact O-N 3.36Å; Q488-S490 PolarHBondContact O-N 2.97Å; Q488-L492 HydrophobicContact CB-CD1 4.47Å; Q488-L492 HydrophobicContact CB-CD2 4.15Å
489	P	45.8	Very low	63.1	Low	77 Å²	77	67.5 Å²	67.5	50%	0.5	34%	0.339	S	S	.	.			trans	-52.2	141.5	-167.7	17.1	-30	0	0	0	112.2	S491 L492	P489-S491 PolarHBondContact O-N 3.09Å; P489-L492 HydrophobicContact CG-CD1 4.15Å; P489-L492 WeakPolarHBondContact O-CB 3.38Å; P489-L492 PolarHBondContact O-N 2.77Å
490	S	54.3	Low	61.9	Low	103 Å²	103	63.7 Å²	63.7	72%	0.72	33%	0.325	S	S	*	.	H	α-helix	trans	-50.6	-21.5	-174.2	36.2	0	0	0	0	115.1	Q488 L492 M493 Q494	Q488-S490 PolarHBondContact O-N 2.97Å; S490-L492 VanDerWaalsContact C-N 3.34Å; S490-L492 PolarHBondContact O-N 2.99Å; S490-M493 PolarHBondContact O-N 3.37Å; S490-Q494 PolarHBondContact O-N 2.83Å
491	S	53.1	Low	60.6	Low	65 Å²	65	67.9 Å²	67.9	46%	0.455	35%	0.347	S	S	.	.	H	α-helix	trans	-60.5	-34.9	170.5	53.2	0	0	0	0	113.9	P489 Q494 C495	P489-S491 PolarHBondContact O-N 3.09Å; S491-Q494 PolarHBondContact O-N 3.3Å; S491-C495 PolarHBondContact O-N 2.64Å; S491-C495 PolarHBondContact O-SG 3.47Å
492	L	52	Low	59.3	Low	21 Å²	21	67.8 Å²	67.8	11%	0.11	35%	0.351	C	S	.	.	H	α-helix	trans	-64.7	-44	178.2	-108.5	98	0	0	0	111.9	I463 L467 Q488 P489 S490 Q494 C495 A496	I463-L492 HydrophobicContact CG2-CD1 3.98Å; I463-L492 HydrophobicContact CG2-CD2 3.88Å; I463-L492 HydrophobicContact CG2-CG 4.46Å; L467-L492 HydrophobicContact CD1-CD2 4Å; L467-L492 HydrophobicContact CD1-CG 4.23Å; L467-L492 HydrophobicContact CD2-CB 4.17Å; L467-L492 HydrophobicContact CD2-CD2 3.38Å; L467-L492 HydrophobicContact CD2-CG 3.64Å; L467-L492 HydrophobicContact CG-CD2 3.38Å; L467-L492 HydrophobicContact CG-CG 4Å; Q488-L492 HydrophobicContact CB-CD1 4.47Å; Q488-L492 HydrophobicContact CB-CD2 4.15Å; P489-L492 HydrophobicContact CG-CD1 4.15Å; P489-L492 WeakPolarHBondContact O-CB 3.38Å; P489-L492 PolarHBondContact O-N 2.77Å; S490-L492 VanDerWaalsContact C-N 3.34Å; S490-L492 PolarHBondContact O-N 2.99Å; L492-Q494 VanDerWaalsContact C-N 3.29Å; L492-Q494 PolarHBondContact O-N 2.86Å; L492-C495 WeakPolarHBondContact O-CB 3.37Å; L492-C495 PolarHBondContact O-N 2.81Å; L492-C495 VanDerWaalsContact O-N 3.15Å; L492-A496 PolarHBondContact O-N 2.98Å
493	M	54.7	Low	57.8	Low	50 Å²	50	73 Å²	73	25%	0.246	38%	0.375	C	S	.	.	H	α-helix	trans	-64.2	-35.3	178.5	-83.2	-71.9	-76.5	0	0	111.9	L470 Y475 S490 R497	L470-M493 HydrophobicContact CD1-SD 4.21Å; L470-M493 HydrophobicContact CD2-SD 4.17Å; Y475-M493 HydrophobicContact CE1-SD 4.31Å; Y475-M493 WeakPolarHBondContact OH-CE 3.46Å; Y475-M493 PolarHBondContact OH-SD 3.21Å; S490-M493 PolarHBondContact O-N 3.37Å; M493-R497 WeakPolarHBondContact O-CG 3.45Å; M493-R497 PolarHBondContact O-N 3.34Å
494	Q	58.7	Low	56.1	Low	125 Å²	125	77 Å²	77	58%	0.584	40%	0.397	S	S	*	.	H	α-helix	trans	-66.5	-43.2	170.7	-83.5	-179.7	-12	0	0	112.1	S490 S491 L492 A496 R497 Q498	S490-Q494 PolarHBondContact O-N 2.83Å; S491-Q494 PolarHBondContact O-N 3.3Å; L492-Q494 VanDerWaalsContact C-N 3.29Å; L492-Q494 PolarHBondContact O-N 2.86Å; Q494-A496 PolarHBondContact O-N 3.37Å; Q494-R497 PolarHBondContact O-N 2.91Å; Q494-Q498 WeakPolarHBondContact O-CG 3.47Å; Q494-Q498 PolarHBondContact O-N 2.68Å
495	C	56.6	Low	54.7	Low	62 Å²	62	80.9 Å²	80.9	42%	0.419	41%	0.414	S	S	.	.	H	α-helix	trans	-60.2	-44.2	176.6	-76.5	0	0	0	0	112.4	S491 L492 R497 Q498 L499	S491-C495 PolarHBondContact O-N 2.64Å; S491-C495 PolarHBondContact O-SG 3.47Å; L492-C495 WeakPolarHBondContact O-CB 3.37Å; L492-C495 PolarHBondContact O-N 2.81Å; L492-C495 VanDerWaalsContact O-N 3.15Å; C495-R497 PolarHBondContact O-N 3.25Å; C495-Q498 PolarHBondContact O-N 3.41Å; C495-L499 WeakPolarHBondContact O-CG 3.35Å; C495-L499 PolarHBondContact O-N 3.09Å
496	A	55.3	Low	53.9	Low	3 Å²	3	83.1 Å²	83.1	3%	0.025	43%	0.431	C	S	.	.	H	α-helix	trans	-60.5	-44.3	177	0	0	0	0	0	111.7	L470 N471 L492 Q494 L499 S500	L470-A496 HydrophobicContact CB-CB 4.13Å; N471-A496 WeakPolarHBondContact OD1-CA 3.43Å; N471-A496 WeakPolarHBondContact OD1-CB 3.16Å; L492-A496 PolarHBondContact O-N 2.98Å; Q494-A496 PolarHBondContact O-N 3.37Å; A496-L499 PolarHBondContact O-N 3.39Å; A496-S500 PolarHBondContact O-N 3.49Å; A496-S500 VanDerWaalsContact O-N 3.09Å
497	R	59.2	Low	53.2	Low	160 Å²	160	85.7 Å²	85.7	60%	0.604	44%	0.441	S	S	*	.	H	α-helix	trans	-61.1	-46.7	175	-72.3	175.8	179.9	176	0.8	112.2	M493 Q494 C495 L499 S500 D501	M493-R497 WeakPolarHBondContact O-CG 3.45Å; M493-R497 PolarHBondContact O-N 3.34Å; Q494-R497 PolarHBondContact O-N 2.91Å; C495-R497 PolarHBondContact O-N 3.25Å; R497-L499 VanDerWaalsContact C-N 3.32Å; R497-L499 PolarHBondContact O-N 3.43Å; R497-S500 WeakPolarHBondContact O-CB 3.45Å; R497-S500 PolarHBondContact O-N 3.32Å; R497-S500 VanDerWaalsContact O-N 3.16Å; R497-S500 PolarHBondContact O-OG 3.24Å; R497-D501 PolarHBondContact O-N 2.95Å
498	Q	61.4	Low	52.7	Low	113 Å²	113	84.2 Å²	84.2	53%	0.528	44%	0.438	S	S	.	.	H	α-helix	trans	-63.7	-34.8	178.7	-74	-179.5	2.2	0	0	113.3	Q494 C495 D501 K502	Q494-Q498 WeakPolarHBondContact O-CG 3.47Å; Q494-Q498 PolarHBondContact O-N 2.68Å; C495-Q498 PolarHBondContact O-N 3.41Å; Q498-D501 PolarHBondContact O-N 3.05Å; Q498-K502 WeakPolarHBondContact O-CG 3.38Å; Q498-K502 PolarHBondContact O-N 3.24Å; Q498-K502 VanDerWaalsContact O-N 3.15Å
499	L	55.8	Low	52.4	Low	80 Å²	80	91.8 Å²	91.8	42%	0.419	47%	0.465	S	S	.	.	H	α-helix	trans	-66.8	-41	174.1	-74.8	167.9	0	0	0	111	C495 A496 R497 D501 K502 E503	C495-L499 WeakPolarHBondContact O-CG 3.35Å; C495-L499 PolarHBondContact O-N 3.09Å; A496-L499 PolarHBondContact O-N 3.39Å; R497-L499 VanDerWaalsContact C-N 3.32Å; R497-L499 PolarHBondContact O-N 3.43Å; L499-D501 VanDerWaalsContact C-N 3.32Å; L499-D501 PolarHBondContact O-N 3.25Å; L499-K502 WeakPolarHBondContact O-CB 3.34Å; L499-K502 PolarHBondContact O-N 3.22Å; L499-K502 VanDerWaalsContact O-N 3.11Å; L499-E503 PolarHBondContact O-N 3.16Å
500	S	55.2	Low	52.2	Low	21 Å²	21	94.6 Å²	94.6	15%	0.147	47%	0.471	C	S	.	.	H	α-helix	trans	-61.3	-40	174.7	87.2	0	0	0	0	112.4	A496 R497 K502 E503 N504	A496-S500 PolarHBondContact O-N 3.49Å; A496-S500 VanDerWaalsContact O-N 3.09Å; R497-S500 WeakPolarHBondContact O-CB 3.45Å; R497-S500 PolarHBondContact O-N 3.32Å; R497-S500 VanDerWaalsContact O-N 3.16Å; R497-S500 PolarHBondContact O-OG 3.24Å; S500-K502 VanDerWaalsContact C-N 3.27Å; S500-K502 PolarHBondContact O-N 3.35Å; S500-E503 PolarHBondContact O-N 2.86Å; S500-N504 WeakPolarHBondContact O-CB 3.14Å; S500-N504 PolarHBondContact O-N 2.52Å; S500-N504 PolarHBondContact O-ND2 3.5Å
501	D	54.8	Low	51.4	Low	90 Å²	90	93 Å²	93	48%	0.481	46%	0.46	S	S	.	.	H	α-helix	trans	-64.9	-34.9	176.6	-69.7	-29.8	0	0	0	111	R497 Q498 L499 N505	R497-D501 PolarHBondContact O-N 2.95Å; Q498-D501 PolarHBondContact O-N 3.05Å; L499-D501 VanDerWaalsContact C-N 3.32Å; L499-D501 PolarHBondContact O-N 3.25Å; D501-N505 WeakPolarHBondContact O-CB 3.49Å; D501-N505 PolarHBondContact O-N 3.11Å; D501-N505 PolarHBondContact O-ND2 2.89Å
502	K	56.6	Low	50.7	Low	145 Å²	145	95.6 Å²	95.6	63%	0.63	47%	0.469	S	S	*	.	H	α-helix	trans	-71.2	-40.7	176.8	-76	-179.9	-179.4	177.5	0	112.6	Q498 L499 S500 S506	Q498-K502 WeakPolarHBondContact O-CG 3.38Å; Q498-K502 PolarHBondContact O-N 3.24Å; Q498-K502 VanDerWaalsContact O-N 3.15Å; L499-K502 WeakPolarHBondContact O-CB 3.34Å; L499-K502 PolarHBondContact O-N 3.22Å; L499-K502 VanDerWaalsContact O-N 3.11Å; S500-K502 VanDerWaalsContact C-N 3.27Å; S500-K502 PolarHBondContact O-N 3.35Å; K502-S506 WeakPolarHBondContact O-CB 3.36Å; K502-S506 PolarHBondContact O-N 3.21Å; K502-S506 PolarHBondContact O-OG 3.3Å
503	E	55.2	Low	50.2	Low	117 Å²	117	101.1 Å²	101.1	55%	0.547	50%	0.499	S	S	.	.	H	α-helix	trans	-69.1	-41.7	176.7	-73.8	-174.3	162.3	0	0	111.9	L499 S500 N505 S506 F507	L499-E503 PolarHBondContact O-N 3.16Å; S500-E503 PolarHBondContact O-N 2.86Å; E503-N505 VanDerWaalsContact C-N 3.35Å; E503-N505 PolarHBondContact O-N 3.35Å; E503-S506 PolarHBondContact O-N 2.98Å; E503-S506 PolarHBondContact O-OG 3.02Å; E503-F507 PolarHBondContact O-N 3.44Å
504	N	49.5	Very low	49.2	Very low	99 Å²	99	104.6 Å²	104.6	53%	0.529	52%	0.519	S	S	.	.	H	α-helix	trans	-65.2	-39.8	174.6	-74.3	-30.8	0	0	0	111.5	S500 F507 L508	S500-N504 WeakPolarHBondContact O-CB 3.14Å; S500-N504 PolarHBondContact O-N 2.52Å; S500-N504 PolarHBondContact O-ND2 3.5Å; N504-F507 PolarHBondContact O-N 3.07Å; N504-L508 WeakPolarHBondContact O-CB 3.42Å; N504-L508 PolarHBondContact O-N 2.86Å
505	N	47.9	Very low	48	Very low	94 Å²	94	103.2 Å²	103.2	50%	0.503	52%	0.522	S	S	.	.	H	α-helix	trans	-70.6	-31.4	175.7	-77.9	-45.4	0	0	0	113.2	D501 E503 R509	D501-N505 WeakPolarHBondContact O-CB 3.49Å; D501-N505 PolarHBondContact O-N 3.11Å; D501-N505 PolarHBondContact O-ND2 2.89Å; E503-N505 VanDerWaalsContact C-N 3.35Å; E503-N505 PolarHBondContact O-N 3.35Å; N505-R509 WeakPolarHBondContact O-CB 3.41Å; N505-R509 WeakPolarHBondContact O-CG 3.29Å; N505-R509 PolarHBondContact O-N 3.03Å
506	S	52.1	Low	46.8	Very low	59 Å²	59	109 Å²	109	41%	0.413	54%	0.543	S	S	.	.	H	α-helix	trans	-71.4	-38.4	175	69.8	0	0	0	0	111.2	K502 E503 R509 Q510	K502-S506 WeakPolarHBondContact O-CB 3.36Å; K502-S506 PolarHBondContact O-N 3.21Å; K502-S506 PolarHBondContact O-OG 3.3Å; E503-S506 PolarHBondContact O-N 2.98Å; E503-S506 PolarHBondContact O-OG 3.02Å; S506-R509 PolarHBondContact O-N 3.32Å; S506-Q510 PolarHBondContact O-N 3.42Å
507	F	41.6	Very low	45.6	Very low	152 Å²	152	114.4 Å²	114.4	67%	0.667	58%	0.576	S	S	*	*	H	α-helix	trans	-61.7	-45.8	169.9	-104	-83.2	0	0	0	111.9	E503 N504 R509 Q510 S511	E503-F507 PolarHBondContact O-N 3.44Å; N504-F507 PolarHBondContact O-N 3.07Å; F507-R509 VanDerWaalsContact C-N 3.33Å; F507-R509 PolarHBondContact O-N 3.36Å; F507-Q510 PolarHBondContact O-N 3.04Å; F507-S511 PolarHBondContact O-N 3.28Å; F507-S511 PolarHBondContact O-OG 3.24Å; F507-S511 VanDerWaalsContact O-OG 3.12Å
508	L	40.2	Very low	44.2	Very low	97 Å²	97	115.5 Å²	115.5	51%	0.508	59%	0.588	S	S	.	*	H	α-helix	trans	-63	-35.8	176.5	-95.6	144.9	0	0	0	113	N504 S511 N512	N504-L508 WeakPolarHBondContact O-CB 3.42Å; N504-L508 PolarHBondContact O-N 2.86Å; L508-S511 VanDerWaalsContact CA-OG 3.29Å; L508-S511 WeakPolarHBondContact CA-OG 3.35Å; L508-S511 PolarHBondContact O-OG 3.28Å; L508-N512 PolarHBondContact O-N 3.22Å; L508-N512 VanDerWaalsContact O-N 3.17Å
509	R	39.5	Very low	42.6	Very low	195 Å²	195	116.6 Å²	116.6	74%	0.736	60%	0.597	S	S	*	*	H	α-helix	trans	-70.2	-40.1	174.3	-78	-176.6	179.6	-135.3	1.1	112.3	N505 S506 F507 S511 N512 D513	N505-R509 WeakPolarHBondContact O-CB 3.41Å; N505-R509 WeakPolarHBondContact O-CG 3.29Å; N505-R509 PolarHBondContact O-N 3.03Å; S506-R509 PolarHBondContact O-N 3.32Å; F507-R509 VanDerWaalsContact C-N 3.33Å; F507-R509 PolarHBondContact O-N 3.36Å; R509-S511 VanDerWaalsContact C-N 3.32Å; R509-S511 PolarHBondContact O-N 2.93Å; R509-N512 PolarHBondContact O-N 3.35Å; R509-D513 PolarHBondContact O-N 3.05Å
510	Q	42.7	Very low	41.3	Very low	135 Å²	135	120 Å²	120	63%	0.631	62%	0.615	S	S	*	*	H	α-helix	trans	-67.6	-31.9	174.7	-78.5	-174.4	-0.7	0	0	112.8	S506 F507 N514	S506-Q510 PolarHBondContact O-N 3.42Å; F507-Q510 PolarHBondContact O-N 3.04Å; Q510-N514 PolarHBondContact O-ND2 3.16Å
511	S	36.7	Very low	40.1	Very low	69 Å²	69	127.1 Å²	127.1	48%	0.483	65%	0.651	S	S	.	*	H	α-helix	trans	-72.6	-27	174.2	50.7	0	0	0	0	113.7	F507 L508 R509	F507-S511 PolarHBondContact O-N 3.28Å; F507-S511 PolarHBondContact O-OG 3.24Å; F507-S511 VanDerWaalsContact O-OG 3.12Å; L508-S511 VanDerWaalsContact CA-OG 3.29Å; L508-S511 WeakPolarHBondContact CA-OG 3.35Å; L508-S511 PolarHBondContact O-OG 3.28Å; R509-S511 VanDerWaalsContact C-N 3.32Å; R509-S511 PolarHBondContact O-N 2.93Å
512	N	39.6	Very low	38.9	Very low	120 Å²	120	130.8 Å²	130.8	64%	0.642	67%	0.67	S	S	*	*	H	α-helix	trans	-83.7	-21.6	-180	-77.9	-10	0	0	0	114	L508 R509 N514	L508-N512 PolarHBondContact O-N 3.22Å; L508-N512 VanDerWaalsContact O-N 3.17Å; R509-N512 PolarHBondContact O-N 3.35Å; N512-N514 VanDerWaalsContact C-N 3.35Å
513	D	39.9	Very low	37.8	Very low	137 Å²	137	130 Å²	130	73%	0.733	67%	0.672	S	S	*	*	S	Bend	trans	-88.6	3.4	177.4	-81.4	-16.9	0	0	0	114	R509 S515	R509-D513 PolarHBondContact O-N 3.05Å; D513-S515 VanDerWaalsContact C-N 3.32Å; D513-S515 PolarHBondContact O-N 3.18Å
514	N	33.7	Very low	36.8	Very low	124 Å²	124	129.8 Å²	129.8	66%	0.663	68%	0.681	S	S	*	*			trans	-93.2	32.3	180	-76.9	-23	0	0	0	114.3	Q510 N512 H516	Q510-N514 PolarHBondContact O-ND2 3.16Å; N512-N514 VanDerWaalsContact C-N 3.35Å; N514-H516 PolarHBondContact O-N 2.93Å
515	S	33.6	Very low	36.1	Very low	95 Å²	95	130.9 Å²	130.9	66%	0.664	69%	0.687	S	S	*	*			trans	-84	34.9	167.7	61.1	0	0	0	0	113.1	D513	D513-S515 VanDerWaalsContact C-N 3.32Å; D513-S515 PolarHBondContact O-N 3.18Å
516	H	32.3	Very low	35.6	Very low	184 Å²	184	136.6 Å²	136.6	85%	0.852	70%	0.702	S	S	*	*			trans	-142.4	79.9	160	-87	-62.5	0	0	0	110	N514 Q518	N514-H516 PolarHBondContact O-N 2.93Å; H516-Q518 PolarHBondContact O-N 3.28Å; H516-Q518 VanDerWaalsContact O-N 3.17Å
517	V	30.4	Very low	34.8	Very low	117 Å²	117	139.7 Å²	139.7	71%	0.709	71%	0.713	S	S	*	*			trans	-62	108.3	167.3	176.9	0	0	0	0	108.7
518	Q	28.7	Very low	34.4	Very low	183 Å²	183	141.3 Å²	141.3	86%	0.855	72%	0.717	S	S	*	*			trans	-126.9	104.3	152.1	-126.5	170.5	-8.9	0	0	108.6	H516 N520	H516-Q518 PolarHBondContact O-N 3.28Å; H516-Q518 VanDerWaalsContact O-N 3.17Å; Q518-N520 PolarHBondContact O-N 3.42Å; Q518-N520 VanDerWaalsContact O-N 3.11Å
519	N	28.2	Very low	34.1	Very low	136 Å²	136	142.5 Å²	142.5	73%	0.727	72%	0.719	S	S	*	*			trans	-48.1	109.1	177.1	-68	-38.3	0	0	0	111.2
520	N	28.9	Very low	33.9	Very low	150 Å²	150	142.4 Å²	142.4	80%	0.802	72%	0.719	S	S	*	*			trans	-127.2	106	154.4	-87.8	-32.7	0	0	0	107.4	Q518 L522	Q518-N520 PolarHBondContact O-N 3.42Å; Q518-N520 VanDerWaalsContact O-N 3.11Å; N520-L522 PolarHBondContact O-N 3.31Å
521	L	30.1	Very low	33.5	Very low	172 Å²	172	143 Å²	143	90%	0.901	73%	0.726	S	S	*	*			trans	-53.1	110.7	174.4	-81	87.1	0	0	0	109.3	N523	L521-N523 PolarHBondContact O-N 3.21Å
522	L	30.6	Very low	33.3	Very low	167 Å²	167	146.9 Å²	146.9	87%	0.874	73%	0.734	S	S	*	*			trans	-73.7	107	173.7	-76.7	156.9	0	0	0	108.8	N520	N520-L522 PolarHBondContact O-N 3.31Å
523	N	31.5	Very low	33.1	Very low	128 Å²	128	147.1 Å²	147.1	68%	0.684	74%	0.735	S	S	*	*			trans	-74.5	118.6	172.4	-165.7	-8.7	0	0	0	109.1	L521 D525	L521-N523 PolarHBondContact O-N 3.21Å; N523-D525 PolarHBondContact O-N 3.26Å
524	P	35.5	Very low	33	Very low	112 Å²	112	149.5 Å²	149.5	73%	0.727	74%	0.739	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.8	-2.1	-164.6	-18.9	31.4	0	0	0	116.9	R526	P524-R526 PolarHBondContact O-N 3.3Å
525	D	35.1	Very low	32.8	Very low	123 Å²	123	150.6 Å²	150.6	66%	0.658	75%	0.745	S	S	*	*	H	α-helix	trans	-81	-11.1	-172.8	-96.7	-28.7	0	0	0	115.3	N523	N523-D525 PolarHBondContact O-N 3.26Å
526	R	37.3	Very low	32.5	Very low	214 Å²	214	156.8 Å²	156.8	81%	0.808	75%	0.754	S	S	*	*	H	α-helix	trans	-80.1	-31.4	-176.7	-94.1	-172.2	175.1	-165.3	0.4	114.7	P524 R530	P524-R526 PolarHBondContact O-N 3.3Å; R526-R530 PolarHBondContact O-N 3Å
527	D	35.7	Very low	32.4	Very low	123 Å²	123	158.6 Å²	158.6	66%	0.658	75%	0.753	S	S	*	*	H	α-helix	trans	-81.2	-28.9	-175.5	-74.7	-29.6	0	0	0	112.9	Q529 R530 L531	D527-Q529 PolarHBondContact O-N 2.98Å; D527-R530 PolarHBondContact O-N 3.31Å; D527-L531 PolarHBondContact O-N 2.92Å
528	Y	33.2	Very low	32.4	Very low	187 Å²	187	161.8 Å²	161.8	73%	0.733	76%	0.76	S	S	*	*	H	α-helix	trans	-69.9	-33	175.5	-142.6	-92.4	0	0	0	112.6
529	Q	32.9	Very low	32.2	Very low	121 Å²	121	157.8 Å²	157.8	57%	0.565	75%	0.752	S	S	*	*	H	α-helix	trans	-74.8	-27.9	176.2	-73.3	-77.1	-8.4	0	0	112.9	D527 K532 N533	D527-Q529 PolarHBondContact O-N 2.98Å; Q529-K532 PolarHBondContact O-N 3.49Å; Q529-N533 PolarHBondContact O-N 2.94Å
530	R	35.5	Very low	32	Very low	193 Å²	193	159.5 Å²	159.5	73%	0.728	76%	0.756	S	S	*	*	H	α-helix	trans	-70.4	-31.1	176.6	-87.3	-176	170	-167.1	-1.6	113.1	R526 D527	R526-R530 PolarHBondContact O-N 3Å; D527-R530 PolarHBondContact O-N 3.31Å
531	L	34.5	Very low	32	Very low	149 Å²	149	159.2 Å²	159.2	78%	0.78	75%	0.754	S	S	*	*	H	α-helix	trans	-74	-31.4	176	-127.4	81.9	0	0	0	112.4	D527	D527-L531 PolarHBondContact O-N 2.92Å
532	K	31.6	Very low	31.7	Very low	150 Å²	150	155.8 Å²	155.8	65%	0.652	74%	0.744	S	S	*	*	H	α-helix	trans	-76.9	-31.5	-178.7	-128.7	174.8	-175.6	174.5	0	113.6	Q529 K534	Q529-K532 PolarHBondContact O-N 3.49Å; K532-K534 PolarHBondContact O-N 3.48Å
533	N	36.6	Very low	31.4	Very low	125 Å²	125	153 Å²	153	67%	0.668	74%	0.739	S	S	*	*	G	3₁₀ helix	trans	-82.4	-7.8	-175.9	-79	-17.8	0	0	0	115.3	Q529	Q529-N533 PolarHBondContact O-N 2.94Å
534	K	36.8	Very low	31.1	Very low	186 Å²	186	151.7 Å²	151.7	81%	0.809	74%	0.74	S	S	*	*	G	3₁₀ helix	trans	-81.4	-11.8	173.6	-83.5	-175.6	176.1	178.9	0	114.7	K532	K532-K534 PolarHBondContact O-N 3.48Å
535	N	30.6	Very low	30.7	Very low	148 Å²	148	155.7 Å²	155.7	79%	0.791	75%	0.746	S	S	*	*	G	3₁₀ helix	trans	-105.8	20.6	-177.4	-79.9	-6.8	0	0	0	115.3
536	R	27.4	Very low	30.3	Very low	225 Å²	225	158.7 Å²	158.7	85%	0.849	76%	0.755	S	S	*	*			trans	-135.2	48.5	178.2	-84.9	-168.3	162.1	176.9	-4.5	115.2
537	R	28.3	Very low	29.8	Very low	221 Å²	221	153.1 Å²	153.1	83%	0.834	75%	0.749	S	S	*	*	S	Bend	trans	-155.6	102.9	156.4	-60.6	-171.7	-179.7	176.3	-1.8	105
538	H	31.2	Very low	29.3	Very low	185 Å²	185	152.8 Å²	152.8	86%	0.856	76%	0.757	S	S	*	*				-160.1	115.1	63.6	-77	-84.2	0	0	0	109.3
539	S	24.2	Very low	28.9	Very low	98 Å²	98	153.8 Å²	153.8	69%	0.685	76%	0.76	S	S	*	*			trans	-81.8	121.8	155.5	55.7	0	0	0	0	107.5
540	H	25.4	Very low	28.5	Very low	173 Å²	173	151.5 Å²	151.5	80%	0.801	77%	0.769	S	S	*	*			trans	162.9	135	137.5	-82.9	-59	0	0	0	109.9
541	N	27.5	Very low	28	Very low	143 Å²	143	152.2 Å²	152.2	77%	0.765	78%	0.778	S	S	*	*			trans	81.1	90.5	163.9	-65.2	-1.8	0	0	0	119.3
542	S	24	Very low	27.6	Very low	101 Å²	101	150.9 Å²	150.9	71%	0.706	78%	0.776	S	S	*	*				46.1	128.9	114.7	61.6	0	0	0	0	121
543	S	25.4	Very low	27.2	Very low	108 Å²	108	153.5 Å²	153.5	76%	0.755	79%	0.787	S	S	*	*			trans	79.4	109.9	150.3	67.2	0	0	0	0	119.3
544	S	24.7	Very low	26.7	Very low	101 Å²	101	156.3 Å²	156.3	71%	0.706	79%	0.794	S	S	*	*			trans	44.7	107	146.2	67.7	0	0	0	0	118.5
545	K	26.3	Very low	26.1	Very low	196 Å²	196	152.5 Å²	152.5	85%	0.852	79%	0.791	S	S	*	*				179.3	125.3	120.4	-95.7	158.4	-174.7	178.5	0	110.4
546	H	26.9	Very low	25.8	Very low	185 Å²	185	151 Å²	151	86%	0.856	79%	0.792	S	S	*	*			trans	9.9	118.1	162.1	-70	-80.8	0	0	0	118.8	S548	H546-S548 PolarHBondContact O-N 3.21Å; H546-S548 VanDerWaalsContact O-N 3.16Å
547	S	26.8	Very low	25.7	Very low	97 Å²	97	147.8 Å²	147.8	68%	0.678	79%	0.791	S	S	*	*			trans	-54.9	109.5	167	56.6	0	0	0	0	111.7	Y549	S547-Y549 PolarHBondContact O-N 3.46Å
548	S	24.6	Very low	25.5	Very low	117 Å²	117	143.2 Å²	143.2	82%	0.818	79%	0.788	S	S	*	*			trans	-80.9	86.4	164.8	61.1	0	0	0	0	109.3	H546	H546-S548 PolarHBondContact O-N 3.21Å; H546-S548 VanDerWaalsContact O-N 3.16Å
549	Y	25.1	Very low	25.2	Very low	207 Å²	207	141.3 Å²	141.3	81%	0.812	79%	0.789	S	S	*	*			trans	-74.4	131.2	161.4	-85.3	-87.3	0	0	0	108.8	S547 K551	S547-Y549 PolarHBondContact O-N 3.46Å; Y549-K551 PolarHBondContact O-N 3.36Å
550	G	25.7	Very low	25.2	Very low	73 Å²	73	143 Å²	143	75%	0.753	79%	0.789	S	S	*	*			trans	-56.8	118.2	-168.7	0	0	0	0	0	112.6	T552	G550-T552 PolarHBondContact O-N 3.36Å
551	K	24.4	Very low	25.2	Very low	209 Å²	209	141.2 Å²	141.2	91%	0.909	79%	0.786	S	S	*	*			trans	-66.8	90	170.4	-73	176.6	175.4	175.7	0	109.8	Y549 K553	Y549-K551 PolarHBondContact O-N 3.36Å; K551-K553 PolarHBondContact O-N 3.45Å
552	T	25.6	Very low	25.2	Very low	121 Å²	121	142.8 Å²	142.8	74%	0.742	78%	0.782	S	S	*	*			trans	-70.3	115.6	152.8	37	0	0	0	0	107.7	G550 F554	G550-T552 PolarHBondContact O-N 3.36Å; T552-F554 PolarHBondContact O-N 3.43Å
553	K	24.2	Very low	25.3	Very low	204 Å²	204	144.7 Å²	144.7	89%	0.887	78%	0.784	S	S	*	*			trans	-57.8	97.4	177.5	-83.8	176.2	170.4	176.5	0	110.3	K551	K551-K553 PolarHBondContact O-N 3.45Å
554	F	25.1	Very low	25.6	Very low	184 Å²	184	148.6 Å²	148.6	81%	0.807	79%	0.79	S	S	*	*			trans	-118.1	112.7	154.7	-85.3	-83.1	0	0	0	107.4	T552	T552-F554 PolarHBondContact O-N 3.43Å
555	S	25.2	Very low	25.6	Very low	106 Å²	106	152.4 Å²	152.4	74%	0.741	79%	0.794	S	S	*	*			trans	-59.7	133.7	179.9	45.1	0	0	0	0	110.7	L557	S555-L557 PolarHBondContact O-N 2.73Å
556	S	24.7	Very low	25.8	Very low	118 Å²	118	148.2 Å²	148.2	83%	0.825	79%	0.79	S	S	*	*			trans	-27.1	113.3	175.1	54.3	0	0	0	0	115.1
557	L	24.8	Very low	26	Very low	157 Å²	157	145.9 Å²	145.9	82%	0.822	78%	0.779	S	S	*	*			trans	-100.3	127.1	161	-75.5	163.4	0	0	0	108.1	S555	S555-L557 PolarHBondContact O-N 2.73Å
558	T	24.2	Very low	26.1	Very low	124 Å²	124	147 Å²	147	76%	0.761	79%	0.787	S	S	*	*			trans	-61.2	129.2	-177.1	44.1	0	0	0	0	111.7	I560	T558-I560 PolarHBondContact O-N 3.09Å; T558-I560 VanDerWaalsContact O-N 3.14Å
559	T	25	Very low	26.3	Very low	146 Å²	146	144.9 Å²	144.9	90%	0.896	78%	0.783	S	S	*	*			trans	-53.6	110.8	172	-43.1	0	0	0	0	110.2
560	I	24.1	Very low	26.4	Very low	132 Å²	132	141.9 Å²	141.9	68%	0.677	78%	0.78	S	S	*	*			trans	-82.5	118.3	175	-61.1	174.5	0	0	0	107.5	T558 Y562	T558-I560 PolarHBondContact O-N 3.09Å; T558-I560 VanDerWaalsContact O-N 3.14Å; I560-Y562 PolarHBondContact O-N 3.16Å
561	D	25.1	Very low	26.8	Very low	137 Å²	137	142.8 Å²	142.8	73%	0.733	77%	0.768	S	S	*	*			trans	-73.2	114	178.1	-158.4	0.3	0	0	0	109.6	N563	D561-N563 VanDerWaalsContact C-N 3.33Å; D561-N563 PolarHBondContact O-N 3.11Å
562	Y	28	Very low	27.3	Very low	175 Å²	175	136 Å²	136	69%	0.686	75%	0.745	S	S	*	*			trans	-77	84	-178.8	-77.2	-86.1	0	0	0	109.3	I560 H564	I560-Y562 PolarHBondContact O-N 3.16Å; Y562-H564 PolarHBondContact O-N 3.42Å
563	N	24.9	Very low	27.9	Very low	141 Å²	141	133.4 Å²	133.4	75%	0.754	73%	0.725	S	S	*	*			trans	-62.8	112.5	169.9	-97.4	-33.2	0	0	0	110.2	D561 K565	D561-N563 VanDerWaalsContact C-N 3.33Å; D561-N563 PolarHBondContact O-N 3.11Å; N563-K565 PolarHBondContact O-N 2.99Å
564	H	32	Very low	28.7	Very low	191 Å²	191	132.3 Å²	132.3	88%	0.884	72%	0.716	S	S	*	*			trans	-55.3	87.4	176.8	-66	-78.6	0	0	0	112.1	Y562	Y562-H564 PolarHBondContact O-N 3.42Å
565	K	25.6	Very low	29.7	Very low	181 Å²	181	126 Å²	126	79%	0.787	69%	0.69	S	S	*	*			trans	-96.6	117.8	159.2	-77.1	-175.1	177.4	179.2	0	108	N563 H567	N563-K565 PolarHBondContact O-N 2.99Å; K565-H567 PolarHBondContact O-N 3.36Å
566	S	29.6	Very low	31.3	Very low	108 Å²	108	121 Å²	121	76%	0.755	66%	0.655	S	S	*	*			trans	-50.2	109.9	167.1	51.5	0	0	0	0	108.3	S568	S566-S568 VanDerWaalsContact C-N 3.26Å; S566-S568 PolarHBondContact O-N 3.31Å
567	H	32.3	Very low	32.6	Very low	135 Å²	135	116.1 Å²	116.1	63%	0.625	62%	0.624	S	S	*	*			trans	-66	88.7	177.3	-78.8	-79	0	0	0	109.1	K565 G569	K565-H567 PolarHBondContact O-N 3.36Å; H567-G569 PolarHBondContact O-N 2.93Å
568	S	28.7	Very low	34	Very low	122 Å²	122	112.1 Å²	112.1	85%	0.853	60%	0.603	S	S	*	*			trans	-80.6	7.6	177	58.3	0	0	0	0	113.4	S566	S566-S568 VanDerWaalsContact C-N 3.26Å; S566-S568 PolarHBondContact O-N 3.31Å
569	G	28.1	Very low	35.2	Very low	71 Å²	71	108.6 Å²	108.6	73%	0.732	58%	0.584	S	S	*	*	S	Bend	trans	-97.1	-26.8	-170.6	0	0	0	0	0	116.3	H567	H567-G569 PolarHBondContact O-N 2.93Å
570	L	27.3	Very low	36.4	Very low	145 Å²	145	106 Å²	106	76%	0.759	57%	0.571	S	S	*	*			trans	-118.9	102.9	-179.2	-75.5	160.1	0	0	0	107.6	P572	L570-P572 WeakPolarHBondContact O-CD 3.34Å
571	N	33.8	Very low	37.3	Very low	92 Å²	92	103.4 Å²	103.4	49%	0.492	56%	0.559	S	S	.	*			trans	-65	107.4	167.8	-176	-9.4	0	0	0	106.8	Q573 Y574	N571-Q573 PolarHBondContact O-N 3.31Å; N571-Q573 VanDerWaalsContact OD1-CB 3.26Å; N571-Q573 WeakPolarHBondContact OD1-CB 3.44Å; N571-Q573 PolarHBondContact OD1-N 3.41Å; N571-Y574 HydrophobicContact CB-CD2 4.28Å; N571-Y574 HydrophobicContact CB-CE2 4.4Å; N571-Y574 PolarHBondContact O-N 3.48Å
572	P	34.6	Very low	38.5	Very low	67 Å²	67	99.2 Å²	99.2	44%	0.435	54%	0.537	S	S	.	.	G	3₁₀ helix	trans	-63	-17.2	-171.5	13.5	-11.9	0	0	0	111.7	L570 Y574 L575 W576	L570-P572 WeakPolarHBondContact O-CD 3.34Å; P572-Y574 PolarHBondContact O-N 3.01Å; P572-Y574 VanDerWaalsContact O-N 3.15Å; P572-L575 WeakPolarHBondContact O-CB 3.36Å; P572-L575 PolarHBondContact O-N 3.03Å; P572-W576 PolarHBondContact O-NE1 2.91Å
573	Q	38.9	Very low	39.1	Very low	66 Å²	66	96.4 Å²	96.4	31%	0.308	53%	0.534	S	S	.	.	G	3₁₀ helix	trans	-53.9	-34.8	-178.3	-163.4	169.6	35.3	0	0	113.8	N571	N571-Q573 PolarHBondContact O-N 3.31Å; N571-Q573 VanDerWaalsContact OD1-CB 3.26Å; N571-Q573 WeakPolarHBondContact OD1-CB 3.44Å; N571-Q573 PolarHBondContact OD1-N 3.41Å
574	Y	39.9	Very low	39.6	Very low	180 Å²	180	98.7 Å²	98.7	71%	0.706	54%	0.539	S	S	*	.	G	3₁₀ helix	trans	-84.2	-20.6	-179.4	-61.4	-73.6	0	0	0	113.9	N571 P572 W576 G577	N571-Y574 HydrophobicContact CB-CD2 4.28Å; N571-Y574 HydrophobicContact CB-CE2 4.4Å; N571-Y574 PolarHBondContact O-N 3.48Å; P572-Y574 PolarHBondContact O-N 3.01Å; P572-Y574 VanDerWaalsContact O-N 3.15Å; Y574-W576 PolarHBondContact O-N 2.9Å; Y574-G577 PolarHBondContact O-N 2.98Å
575	L	47.1	Very low	39.6	Very low	51 Å²	51	96.7 Å²	96.7	27%	0.267	52%	0.524	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-27.8	-179.1	-172.7	67.3	0	0	0	111.9	I483 P572	I483-L575 HydrophobicContact CD1-CD1 3.64Å; I483-L575 HydrophobicContact CD1-CD2 3.49Å; I483-L575 VanDerWaalsContact CD1-CD2 3.49Å; I483-L575 HydrophobicContact CD1-CG 3.96Å; P572-L575 WeakPolarHBondContact O-CB 3.36Å; P572-L575 PolarHBondContact O-N 3.03Å
576	W	59.4	Low	39.7	Very low	2 Å²	2	96.3 Å²	96.3	1%	0.008	53%	0.527	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.3	10.2	-175.1	-50.5	102.4	0	0	0	113	R367 F369 T395 R424 L425 G426 I453 D455 P572 Y574	R367-W576 PolarHBondContact NH1-O 2.94Å; F369-W576 HydrophobicContact CE1-CB 3.92Å; F369-W576 HydrophobicContact CE1-CG 4.07Å; F369-W576 HydrophobicContact CZ-CB 4.07Å; T395-W576 HydrophobicContact CG2-CB 4.15Å; T395-W576 HydrophobicContact CG2-CD2 4.45Å; T395-W576 HydrophobicContact CG2-CE3 3.96Å; R424-W576 HydrophobicContact CB-CE3 3.69Å; R424-W576 HydrophobicContact CB-CZ3 3.78Å; R424-W576 PolarHBondContact NH1-O 3.37Å; L425-W576 WeakPolarHBondContact O-CH2 3.24Å; G426-W576 VanDerWaalsContact CA-CH2 3.41Å; I453-W576 HydrophobicContact CG2-CH2 4.39Å; I453-W576 HydrophobicContact CG2-CZ3 4.21Å; D455-W576 HydrophobicContact CB-CH2 3.68Å; D455-W576 HydrophobicContact CB-CZ2 3.8Å; P572-W576 PolarHBondContact O-NE1 2.91Å; Y574-W576 PolarHBondContact O-N 2.9Å
577	G	50.2	Low	39.7	Very low	16 Å²	16	97.1 Å²	97.1	17%	0.165	52%	0.523	C	S	.	.			trans	69.5	172.2	-175.9	0	0	0	0	0	113.5	R367 Y574 D581	R367-G577 PolarHBondContact NH1-O 3.32Å; Y574-G577 PolarHBondContact O-N 2.98Å; G577-D581 WeakPolarHBondContact CA-OD2 3.4Å
578	D	55.2	Low	39.4	Very low	73 Å²	73	98.1 Å²	98.1	39%	0.39	53%	0.533	S	S	.	.			trans	-112.3	-173.7	172.7	72.7	19.1	0	0	0	111.8	R367 S580 D581	R367-D578 VanDerWaalsContact CZ-O 3.23Å; R367-D578 PolarHBondContact NH1-O 3.49Å; R367-D578 PolarHBondContact NH2-O 3.35Å; D578-S580 PolarHBondContact O-N 2.87Å; D578-S580 VanDerWaalsContact O-N 3.17Å; D578-S580 WeakPolarHBondContact OD1-CA 3.42Å; D578-S580 VanDerWaalsContact OD1-CB 3.28Å; D578-S580 WeakPolarHBondContact OD1-CB 3.32Å; D578-S580 PolarHBondContact OD1-N 3.38Å; D578-S580 PolarHBondContact OD1-OG 3.15Å; D578-D581 PolarHBondContact N-OD2 2.96Å; D578-D581 VanDerWaalsContact N-OD2 3.15Å; D578-D581 PolarHBondContact O-N 2.79Å
579	S	50	Low	39.5	Very low	50 Å²	50	97.8 Å²	97.8	35%	0.35	53%	0.526	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-9.7	-177.2	67.6	0	0	0	0	114.5	Y326	Y326-S579 PolarHBondContact OH-O 3.08Å
580	S	49.6	Very low	39.6	Very low	90 Å²	90	101.6 Å²	101.6	63%	0.629	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-22.4	179.2	73.4	0	0	0	0	113.1	D578 D582	D578-S580 PolarHBondContact O-N 2.87Å; D578-S580 VanDerWaalsContact O-N 3.17Å; D578-S580 WeakPolarHBondContact OD1-CA 3.42Å; D578-S580 VanDerWaalsContact OD1-CB 3.28Å; D578-S580 WeakPolarHBondContact OD1-CB 3.32Å; D578-S580 PolarHBondContact OD1-N 3.38Å; D578-S580 PolarHBondContact OD1-OG 3.15Å; S580-D582 PolarHBondContact O-N 3.48Å
581	D	43.2	Very low	39.8	Very low	79 Å²	79	102 Å²	102	42%	0.422	53%	0.532	S	S	.	.			trans	-74.7	29	179.4	-64.6	-38.6	0	0	0	114	G577 D578 D583	G577-D581 WeakPolarHBondContact CA-OD2 3.4Å; D578-D581 PolarHBondContact N-OD2 2.96Å; D578-D581 VanDerWaalsContact N-OD2 3.15Å; D578-D581 PolarHBondContact O-N 2.79Å; D581-D583 VanDerWaalsContact C-N 3.29Å; D581-D583 PolarHBondContact O-N 3.26Å
582	D	50.8	Low	39.7	Very low	49 Å²	49	104.4 Å²	104.4	26%	0.262	55%	0.545	S	S	.	.			trans	-69.7	90.7	168.5	-85.1	-7.5	0	0	0	107.1	K325 Y326 S580 H584	K325-D582 IonicContact NZ-OD2 2.81Å; K325-D582 PolarHBondContact NZ-OD2 3.34Å; Y326-D582 PolarHBondContact OH-OD1 2.94Å; S580-D582 PolarHBondContact O-N 3.48Å; D582-H584 PolarHBondContact O-N 2.96Å
583	D	39.7	Very low	39.5	Very low	116 Å²	116	107 Å²	107	62%	0.62	56%	0.556	S	S	*	*			trans	-41.9	106.5	169.9	-77.5	-34	0	0	0	108	K423 D581 R585	K423-D583 IonicContact NZ-OD2 3.6Å; K423-D583 PolarHBondContact NZ-OD2 3.42Å; D581-D583 VanDerWaalsContact C-N 3.29Å; D581-D583 PolarHBondContact O-N 3.26Å; D583-R585 PolarHBondContact O-N 3.12Å
584	H	34.6	Very low	39.3	Very low	188 Å²	188	110.6 Å²	110.6	87%	0.87	58%	0.581	S	S	*	*			trans	-50.4	128.5	178.5	-76.8	-71.3	0	0	0	108.7	D582 M586	D582-H584 PolarHBondContact O-N 2.96Å; H584-M586 PolarHBondContact O-N 3.38Å; H584-M586 VanDerWaalsContact O-N 3.11Å
585	R	33.4	Very low	39.2	Very low	149 Å²	149	106.4 Å²	106.4	56%	0.562	58%	0.578	S	S	*	*			trans	-35.7	120.5	174.9	-81.2	179.4	173.9	-173.4	-4.4	108.7	D359 D583 N587	D359-R585 IonicContact OD1-CZ 3.97Å; D359-R585 IonicContact OD1-NH1 2.8Å; D359-R585 PolarHBondContact OD1-NH1 2.81Å; D359-R585 IonicContact OD1-NH2 3.96Å; D583-R585 PolarHBondContact O-N 3.12Å; R585-N587 PolarHBondContact O-N 3.48Å
586	M	27.7	Very low	38.8	Very low	174 Å²	174	108 Å²	108	86%	0.857	59%	0.59	S	S	*	*			trans	-56.3	94.1	153.7	-74.9	-79	-165.5	0	0	105.1	H584 N588	H584-M586 PolarHBondContact O-N 3.38Å; H584-M586 VanDerWaalsContact O-N 3.11Å; M586-N588 PolarHBondContact O-N 2.92Å
587	N	28.9	Very low	37.6	Very low	125 Å²	125	112.5 Å²	112.5	67%	0.668	62%	0.618	S	S	*	*			trans	-60.6	103.4	160.9	-79	-14.8	0	0	0	104	R585 T589	R585-N587 PolarHBondContact O-N 3.48Å; N587-T589 PolarHBondContact O-N 3.26Å
588	N	26.8	Very low	36.9	Very low	155 Å²	155	115 Å²	115	83%	0.829	64%	0.637	S	S	*	*			trans	-63.2	80.4	163.8	-74.6	-16.5	0	0	0	106.3	M586 D590	M586-N588 PolarHBondContact O-N 2.92Å; N588-D590 PolarHBondContact O-N 2.92Å
589	T	29.3	Very low	36.1	Very low	115 Å²	115	119.5 Å²	119.5	71%	0.706	65%	0.653	S	S	*	*			trans	-83.4	101.9	159.4	46.8	0	0	0	0	105.9	N587	N587-T589 PolarHBondContact O-N 3.26Å
590	D	30.8	Very low	35.4	Very low	151 Å²	151	126.9 Å²	126.9	81%	0.807	67%	0.673	S	S	*	*			trans	45.3	124.1	151	-57.1	-36	0	0	0	118.6	N588	N588-D590 PolarHBondContact O-N 2.92Å
591	D	31.5	Very low	34.6	Very low	153 Å²	153	127.4 Å²	127.4	82%	0.818	67%	0.669	S	S	*	*	S	Bend	trans	-39.3	155.1	164.6	-73.8	-50.5	0	0	0	113.2
592	D	32.6	Very low	34.3	Very low	144 Å²	144	133.4 Å²	133.4	77%	0.77	69%	0.686	S	S	*	*			trans	91.6	63.5	176.8	-54.7	-23.1	0	0	0	116.6
593	N	30.2	Very low	33.8	Very low	122 Å²	122	136.4 Å²	136.4	65%	0.652	70%	0.701	S	S	*	*			trans	-168.4	51.6	140.9	-95.6	-40	0	0	0	113.9	S595 V596	N593-S595 PolarHBondContact O-N 3.29Å; N593-V596 PolarHBondContact O-N 3.17Å
594	V	34	Very low	33.5	Very low	140 Å²	140	138.2 Å²	138.2	85%	0.848	70%	0.701	S	S	*	*	H	α-helix	trans	-62	-12.1	179.7	175.5	0	0	0	0	113.6
595	S	37.2	Very low	33.4	Very low	92 Å²	92	134.2 Å²	134.2	64%	0.643	69%	0.685	S	S	*	*	H	α-helix	trans	-89.6	-16.7	-178.8	76.2	0	0	0	0	115.6	N593	N593-S595 PolarHBondContact O-N 3.29Å
596	V	39.7	Very low	33.8	Very low	84 Å²	84	129.9 Å²	129.9	51%	0.509	68%	0.678	S	S	.	*	H	α-helix	trans	-93.7	-31.4	-173.8	-173.8	0	0	0	0	112.7	N593 A598 K599 R600	N593-V596 PolarHBondContact O-N 3.17Å; V596-A598 VanDerWaalsContact C-N 3.33Å; V596-A598 PolarHBondContact O-N 3.06Å; V596-K599 PolarHBondContact O-N 3.48Å; V596-R600 PolarHBondContact O-N 2.96Å
597	V	33.5	Very low	34.4	Very low	98 Å²	98	127.3 Å²	127.3	59%	0.594	66%	0.664	S	S	*	*	H	α-helix	trans	-68.1	-33.1	-179.4	-177.8	0	0	0	0	111.8	K599 R600 N601	V597-K599 VanDerWaalsContact C-N 3.27Å; V597-K599 PolarHBondContact O-N 3.29Å; V597-R600 PolarHBondContact O-N 3.17Å; V597-N601 PolarHBondContact O-N 3.34Å
598	A	36.5	Very low	34.7	Very low	68 Å²	68	126.3 Å²	126.3	56%	0.562	66%	0.655	S	S	*	*	H	α-helix	trans	-63.8	-29.2	176.7	0	0	0	0	0	113.2	V596	V596-A598 VanDerWaalsContact C-N 3.33Å; V596-A598 PolarHBondContact O-N 3.06Å
599	K	38.4	Very low	35.3	Very low	167 Å²	167	124.3 Å²	124.3	73%	0.726	64%	0.643	S	S	*	*	H	α-helix	trans	-79.5	-33.1	176.6	-86.7	-178	176.2	176.3	0	113	V596 V597	V596-K599 PolarHBondContact O-N 3.48Å; V597-K599 VanDerWaalsContact C-N 3.27Å; V597-K599 PolarHBondContact O-N 3.29Å
600	R	35.4	Very low	35.7	Very low	205 Å²	205	124.1 Å²	124.1	77%	0.774	64%	0.638	S	S	*	*	H	α-helix	trans	-70.2	-36.6	177	-103	180	174.6	159.8	-1	112.8	V596 V597 R602 N603 Y604	V596-R600 PolarHBondContact O-N 2.96Å; V597-R600 PolarHBondContact O-N 3.17Å; R600-R602 PolarHBondContact O-N 3.08Å; R600-N603 PolarHBondContact O-N 3.38Å; R600-Y604 PolarHBondContact O-N 3.15Å; R600-Y604 VanDerWaalsContact O-N 3.17Å
601	N	33.5	Very low	36.1	Very low	102 Å²	102	125.5 Å²	125.5	55%	0.545	63%	0.632	S	S	.	*	H	α-helix	trans	-69.2	-29.8	178	-85.8	-12.1	0	0	0	113.8	V597 L605	V597-N601 PolarHBondContact O-N 3.34Å; N601-L605 PolarHBondContact O-N 3.28Å; N601-L605 VanDerWaalsContact O-N 3.15Å
602	R	35.6	Very low	36.4	Very low	205 Å²	205	124.5 Å²	124.5	77%	0.774	62%	0.622	S	S	*	*	H	α-helix	trans	-67	-38.4	173.2	-83.9	-171.1	-173.2	160.4	3.9	112.7	R600 S606	R600-R602 PolarHBondContact O-N 3.08Å; R602-S606 PolarHBondContact O-N 3.45Å; R602-S606 VanDerWaalsContact O-N 3.1Å; R602-S606 PolarHBondContact O-OG 3.48Å
603	N	41.1	Very low	36.9	Very low	111 Å²	111	121.3 Å²	121.3	59%	0.594	61%	0.611	S	S	*	*	H	α-helix	trans	-70	-38.5	178.2	-74.7	2.3	0	0	0	111.7	R600 L605 S606 E607	R600-N603 PolarHBondContact O-N 3.38Å; N603-L605 PolarHBondContact O-N 3.3Å; N603-S606 WeakPolarHBondContact CA-OG 3.44Å; N603-S606 PolarHBondContact O-N 3.37Å; N603-S606 PolarHBondContact O-OG 2.94Å; N603-E607 PolarHBondContact O-N 3.31Å; N603-E607 VanDerWaalsContact O-N 3.08Å
604	Y	32.2	Very low	37.4	Very low	154 Å²	154	125.8 Å²	125.8	60%	0.604	62%	0.619	S	S	*	*	H	α-helix	trans	-65.3	-39.9	177.9	-155.5	-94.4	0	0	0	112.8	R600 E607 Q608	R600-Y604 PolarHBondContact O-N 3.15Å; R600-Y604 VanDerWaalsContact O-N 3.17Å; Y604-E607 PolarHBondContact O-N 2.82Å; Y604-Q608 PolarHBondContact O-N 3.48Å
605	L	34	Very low	37.5	Very low	105 Å²	105	126.1 Å²	126.1	55%	0.55	61%	0.611	S	S	.	*	H	α-helix	trans	-67.6	-36	174.6	-86.1	154.3	0	0	0	112.5	N601 N603 E607 Q608 I609	N601-L605 PolarHBondContact O-N 3.28Å; N601-L605 VanDerWaalsContact O-N 3.15Å; N603-L605 PolarHBondContact O-N 3.3Å; L605-E607 VanDerWaalsContact C-N 3.35Å; L605-E607 PolarHBondContact O-N 2.85Å; L605-Q608 PolarHBondContact O-N 3.15Å; L605-I609 WeakPolarHBondContact O-CG1 3.46Å; L605-I609 PolarHBondContact O-N 3.37Å; L605-I609 VanDerWaalsContact O-N 3.13Å
606	S	40.5	Very low	37.3	Very low	58 Å²	58	128.1 Å²	128.1	41%	0.406	61%	0.614	S	S	.	*	H	α-helix	trans	-68.1	-32.4	175.8	67.8	0	0	0	0	113.2	R602 N603 N610	R602-S606 PolarHBondContact O-N 3.45Å; R602-S606 VanDerWaalsContact O-N 3.1Å; R602-S606 PolarHBondContact O-OG 3.48Å; N603-S606 WeakPolarHBondContact CA-OG 3.44Å; N603-S606 PolarHBondContact O-N 3.37Å; N603-S606 PolarHBondContact O-OG 2.94Å; S606-N610 PolarHBondContact O-N 3.49Å
607	E	40.9	Very low	37.1	Very low	120 Å²	120	131.9 Å²	131.9	56%	0.561	63%	0.627	S	S	*	*	H	α-helix	trans	-73.5	-35.6	175.9	-78.6	-170.6	169.3	0	0	112.6	N603 Y604 L605 N610 R611	N603-E607 PolarHBondContact O-N 3.31Å; N603-E607 VanDerWaalsContact O-N 3.08Å; Y604-E607 PolarHBondContact O-N 2.82Å; L605-E607 VanDerWaalsContact C-N 3.35Å; L605-E607 PolarHBondContact O-N 2.85Å; E607-N610 PolarHBondContact O-N 3.48Å; E607-R611 PolarHBondContact O-N 2.94Å
608	Q	35.6	Very low	36.8	Very low	104 Å²	104	138.3 Å²	138.3	49%	0.486	64%	0.64	S	S	.	*	H	α-helix	trans	-69.1	-37.8	174.8	-90.2	-170.2	-41	0	0	112.9	Y604 L605 N610 R611 Q612	Y604-Q608 PolarHBondContact O-N 3.48Å; L605-Q608 PolarHBondContact O-N 3.15Å; Q608-N610 VanDerWaalsContact C-N 3.27Å; Q608-N610 PolarHBondContact O-N 3Å; Q608-R611 PolarHBondContact O-N 3.14Å; Q608-Q612 PolarHBondContact O-N 3.42Å
609	I	38	Very low	36.4	Very low	112 Å²	112	140.7 Å²	140.7	57%	0.574	65%	0.648	S	S	*	*	H	α-helix	trans	-65.1	-34.7	175.4	-66.5	169.6	0	0	0	110.8	L605 S613	L605-I609 WeakPolarHBondContact O-CG1 3.46Å; L605-I609 PolarHBondContact O-N 3.37Å; L605-I609 VanDerWaalsContact O-N 3.13Å; I609-S613 PolarHBondContact O-N 3.48Å; I609-S613 PolarHBondContact O-OG 3.47Å
610	N	38.5	Very low	36	Very low	112 Å²	112	141.3 Å²	141.3	60%	0.599	65%	0.651	S	S	*	*	H	α-helix	trans	-76	-23.3	174.7	-88.4	-19.6	0	0	0	114.5	S606 E607 Q608 S613	S606-N610 PolarHBondContact O-N 3.49Å; E607-N610 PolarHBondContact O-N 3.48Å; Q608-N610 VanDerWaalsContact C-N 3.27Å; Q608-N610 PolarHBondContact O-N 3Å; N610-S613 WeakPolarHBondContact CA-OG 3.38Å; N610-S613 PolarHBondContact O-OG 3.32Å
611	R	39.7	Very low	35.7	Very low	180 Å²	180	139.4 Å²	139.4	68%	0.679	65%	0.65	S	S	*	*	H	α-helix	trans	-79.4	-41	171.8	-74.2	-172.4	-176.1	-165.4	2.7	111.9	E607 Q608 S613 R614 E615	E607-R611 PolarHBondContact O-N 2.94Å; Q608-R611 PolarHBondContact O-N 3.14Å; R611-S613 VanDerWaalsContact C-N 3.32Å; R611-S613 PolarHBondContact O-N 3.33Å; R611-R614 PolarHBondContact O-N 3.24Å; R611-R614 VanDerWaalsContact O-N 3.09Å; R611-E615 PolarHBondContact O-N 2.97Å; R611-E615 VanDerWaalsContact O-N 3.16Å
612	Q	36.5	Very low	35.5	Very low	132 Å²	132	144.1 Å²	144.1	62%	0.617	66%	0.662	S	S	*	*	H	α-helix	trans	-68.1	-29.3	177.6	-79.5	-175.3	-17.4	0	0	113.4	Q608 R614	Q608-Q612 PolarHBondContact O-N 3.42Å; Q612-R614 VanDerWaalsContact C-N 3.27Å; Q612-R614 PolarHBondContact O-N 3.24Å
613	S	43.3	Very low	35.1	Very low	76 Å²	76	143.6 Å²	143.6	53%	0.531	67%	0.665	S	S	.	*	H	α-helix	trans	-72.3	-18.7	172.6	53.3	0	0	0	0	113.5	I609 N610 R611	I609-S613 PolarHBondContact O-N 3.48Å; I609-S613 PolarHBondContact O-OG 3.47Å; N610-S613 WeakPolarHBondContact CA-OG 3.38Å; N610-S613 PolarHBondContact O-OG 3.32Å; R611-S613 VanDerWaalsContact C-N 3.32Å; R611-S613 PolarHBondContact O-N 3.33Å
614	R	42.2	Very low	34.5	Very low	216 Å²	216	144.9 Å²	144.9	82%	0.815	67%	0.671	S	S	*	*	H	α-helix	trans	-91.4	-23.3	174.7	-73.1	-173.6	176.9	-172.1	-0.2	114.2	R611 Q612	R611-R614 PolarHBondContact O-N 3.24Å; R611-R614 VanDerWaalsContact O-N 3.09Å; Q612-R614 VanDerWaalsContact C-N 3.27Å; Q612-R614 PolarHBondContact O-N 3.24Å
615	E	36.1	Very low	34.5	Very low	147 Å²	147	146.5 Å²	146.5	69%	0.687	71%	0.705	S	S	*	*	H	α-helix	trans	-88.4	-11.4	-179.7	-75.7	-178.4	168.9	0	0	114.3	R611 E617 W618	R611-E615 PolarHBondContact O-N 2.97Å; R611-E615 VanDerWaalsContact O-N 3.16Å; E615-E617 PolarHBondContact O-N 3.39Å; E615-E617 VanDerWaalsContact O-N 3.13Å; E615-W618 PolarHBondContact O-N 2.93Å
616	N	31.4	Very low	34.6	Very low	134 Å²	134	148.6 Å²	148.6	72%	0.717	71%	0.713	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.9	9.3	178.2	-82.1	-13.5	0	0	0	115.6
617	E	35.8	Very low	34.2	Very low	164 Å²	164	153.4 Å²	153.4	77%	0.766	73%	0.729	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.9	-5	169.1	-77.9	-159.8	142	0	0	114.2	E615	E615-E617 PolarHBondContact O-N 3.39Å; E615-E617 VanDerWaalsContact O-N 3.13Å
618	W	28.4	Very low	33.9	Very low	233 Å²	233	155.2 Å²	155.2	88%	0.883	74%	0.738	S	S	*	*	S	Bend	trans	-105.7	34.6	-171.6	-75.9	47.7	0	0	0	114.7	E615	E615-W618 PolarHBondContact O-N 2.93Å
619	T	28.1	Very low	33.8	Very low	118 Å²	118	158.2 Å²	158.2	72%	0.724	75%	0.753	S	S	*	*			trans	-131.6	56	162.1	54.5	0	0	0	0	110.6
620	K	29.5	Very low	33.5	Very low	179 Å²	179	161.1 Å²	161.1	78%	0.778	76%	0.764	S	S	*	*			trans	-90.9	105.3	158.3	-89.1	-179	179.4	170.9	0	108.4	Y622	K620-Y622 WeakPolarHBondContact O-CD2 3.47Å; K620-Y622 PolarHBondContact O-N 3.16Å
621	H	29.4	Very low	33.2	Very low	166 Å²	166	164.4 Å²	164.4	77%	0.769	78%	0.775	S	S	*	*			trans	-37.4	115.3	167.2	-68.7	-78.1	0	0	0	112.3
622	Y	28	Very low	32.7	Very low	201 Å²	201	163.3 Å²	163.3	79%	0.788	78%	0.782	S	S	*	*			trans	-106.5	91.9	156.5	-79.4	-82.2	0	0	0	107.7	K620 I624	K620-Y622 WeakPolarHBondContact O-CD2 3.47Å; K620-Y622 PolarHBondContact O-N 3.16Å; Y622-I624 HydrophobicContact CD1-CD1 4.01Å; Y622-I624 HydrophobicContact CD1-CG1 4.43Å
623	F	28	Very low	32.4	Very low	193 Å²	193	165.7 Å²	165.7	85%	0.846	80%	0.795	S	S	*	*			trans	-87	114.8	151.2	-89.9	-87.2	0	0	0	106.2
624	I	28.4	Very low	31.5	Very low	139 Å²	139	173.2 Å²	173.2	71%	0.713	82%	0.817	S	S	*	*			trans	-131.5	116.9	166.1	-62.5	-178.8	0	0	0	107.2	Y622	Y622-I624 HydrophobicContact CD1-CD1 4.01Å; Y622-I624 HydrophobicContact CD1-CG1 4.43Å
625	S	33	Very low	30.6	Very low	188 Å²	188	169.3 Å²	169.3	100%	1.315	82%	0.817	S	S	*	*			trans	34.7	0	175.4	75.6	0	0	0	0	118.9

Retrieved 625 of 625 residues in 546.3 ms (Link to these results)

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