A0A3Q0KJI4_SCHMA Loading...

Putative fbxl20

AlphaFold DB , UniProt , Accession A0A3Q0KJI4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 518 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure 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	38.2	Very low	36.6	Very low	143 Å²	143	145.9 Å²	145.9	70%	0.704	73%	0.731	S	S	*	*				0	17.6	0	-90.3	178.2	-167.6	0	0	111.5	N3 F4 S5 F66	M1-N3 PolarHBondContact O-N 3.41Å; M1-N3 VanDerWaalsContact O-N 3.12Å; M1-F4 PolarHBondContact O-N 3.33Å; M1-F4 VanDerWaalsContact O-N 3.16Å; M1-S5 PolarHBondContact O-N 2.86Å; M1-S5 PolarHBondContact O-OG 3.38Å; M1-F66 HydrophobicContact CE-CZ 4.31Å
2	E	33.5	Very low	36.4	Very low	162 Å²	162	140.6 Å²	140.6	76%	0.757	74%	0.741	S	S	*	*	H	α-helix	trans	-60.8	-23.9	173.4	-69	172.9	161.7	0	0	112.8	N6	E2-N6 PolarHBondContact O-ND2 3.46Å; E2-N6 VanDerWaalsContact O-ND2 3.16Å
3	N	36.5	Very low	36.3	Very low	141 Å²	141	138.8 Å²	138.8	75%	0.754	75%	0.747	S	S	*	*	H	α-helix	trans	-94.7	-4	178.2	-69.2	-6	0	0	0	116	M1	M1-N3 PolarHBondContact O-N 3.41Å; M1-N3 VanDerWaalsContact O-N 3.12Å
4	F	37.7	Very low	35.9	Very low	139 Å²	139	136.1 Å²	136.1	61%	0.61	75%	0.754	S	S	*	*	H	α-helix	trans	-108.1	-21	173.3	-94.9	-88.4	0	0	0	112.3	M1 V87	M1-F4 PolarHBondContact O-N 3.33Å; M1-F4 VanDerWaalsContact O-N 3.16Å; F4-V87 HydrophobicContact CE2-CG2 4.23Å; F4-V87 HydrophobicContact CZ-CG2 4.36Å
5	S	40.1	Very low	36.1	Very low	67 Å²	67	136 Å²	136	47%	0.469	76%	0.757	S	S	.	*	H	α-helix	trans	-84.8	-16.5	178.1	-58.8	0	0	0	0	114.1	M1	M1-S5 PolarHBondContact O-N 2.86Å; M1-S5 PolarHBondContact O-OG 3.38Å
6	N	36.5	Very low	36.1	Very low	129 Å²	129	133.1 Å²	133.1	69%	0.69	76%	0.757	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.2	4.6	-174.5	-77.7	-9.3	0	0	0	115.5	E2	E2-N6 PolarHBondContact O-ND2 3.46Å; E2-N6 VanDerWaalsContact O-ND2 3.16Å
7	Y	37.5	Very low	36.3	Very low	192 Å²	192	135.1 Å²	135.1	75%	0.753	76%	0.764	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.4	-0	-175.2	-96.5	-83.6	0	0	0	115.6
8	F	37.5	Very low	36.3	Very low	180 Å²	180	131.7 Å²	131.7	79%	0.789	77%	0.765	S	S	*	*			trans	-137.7	70	-176.3	-65.6	-75.8	0	0	0	111.7
9	N	32.5	Very low	36.4	Very low	156 Å²	156	135.8 Å²	135.8	83%	0.834	77%	0.772	S	S	*	*			trans	-140.7	89.8	167.4	-98.4	-22.3	0	0	0	109.7
10	T	38.2	Very low	36.4	Very low	127 Å²	127	136 Å²	136	78%	0.779	78%	0.777	S	S	*	*			trans	-145.2	108.4	158.5	43.5	0	0	0	0	110.7
11	N	34.6	Very low	36.6	Very low	169 Å²	169	135.9 Å²	135.9	90%	0.904	77%	0.774	S	S	*	*			trans	64.5	108.1	141.6	-59	-15.3	0	0	0	120.4
12	G	33.8	Very low	36.6	Very low	82 Å²	82	135 Å²	135	85%	0.845	78%	0.781	S	S	*	*			trans	-165.6	72.2	159.7	0	0	0	0	0	111.1
13	S	35.2	Very low	37	Very low	117 Å²	117	136.2 Å²	136.2	82%	0.818	78%	0.781	S	S	*	*			trans	-60.7	129.5	179.3	49	0	0	0	0	113
14	A	31.6	Very low	37.4	Very low	102 Å²	102	139.5 Å²	139.5	84%	0.843	79%	0.791	S	S	*	*			trans	-69.9	135.9	170.2	0	0	0	0	0	111.7
15	V	37.6	Very low	38.1	Very low	134 Å²	134	142.8 Å²	142.8	81%	0.812	80%	0.799	S	S	*	*			trans	-124.6	113.9	160.8	179.2	0	0	0	0	107.6
16	A	36.2	Very low	38.8	Very low	90 Å²	90	144.3 Å²	144.3	74%	0.744	81%	0.81	S	S	*	*			trans	-78.3	136.4	172.1	0	0	0	0	0	110.1
17	N	40.1	Very low	40	Very low	166 Å²	166	145.4 Å²	145.4	89%	0.888	82%	0.816	S	S	*	*			trans	-152.9	116.3	151.7	-102.1	-20.8	0	0	0	109.6
18	G	36	Very low	41.7	Very low	75 Å²	75	140.2 Å²	140.2	77%	0.773	80%	0.804	S	S	*	*			trans	-75.6	144.8	-172.7	0	0	0	0	0	114
19	K	39.6	Very low	44	Very low	209 Å²	209	134.3 Å²	134.3	91%	0.909	78%	0.784	S	S	*	*			trans	-138.8	125.7	145.3	-84.6	-175.4	178.6	173.1	0	108.3
20	T	35.4	Very low	46.8	Very low	140 Å²	140	131 Å²	131	86%	0.859	77%	0.766	S	S	*	*			trans	-60.7	121.3	-177.3	47.4	0	0	0	0	112
21	N	41.6	Very low	49.2	Very low	133 Å²	133	127 Å²	127	71%	0.711	74%	0.74	S	S	*	*			trans	-134.4	113.9	156.8	-105.6	-12.7	0	0	0	108.3	Y23	N21-Y23 HydrophobicContact CB-CD2 4.19Å; N21-Y23 HydrophobicContact CB-CE2 4.15Å; N21-Y23 PolarHBondContact O-N 3.25Å
22	S	37.5	Very low	51.8	Low	124 Å²	124	125.3 Å²	125.3	87%	0.867	73%	0.731	S	S	*	*			trans	-66.8	89.5	176.2	50	0	0	0	0	110.3
23	Y	41.4	Very low	54.5	Low	189 Å²	189	124.6 Å²	124.6	74%	0.741	71%	0.712	S	S	*	*			trans	-103.5	110.7	159.6	-76.8	-86.8	0	0	0	107.3	N21 R25	N21-Y23 HydrophobicContact CB-CD2 4.19Å; N21-Y23 HydrophobicContact CB-CE2 4.15Å; N21-Y23 PolarHBondContact O-N 3.25Å; Y23-R25 PolarHBondContact O-N 3.04Å
24	H	46	Very low	57.1	Low	210 Å²	210	121.7 Å²	121.7	97%	0.972	69%	0.687	S	S	*	*			trans	-65.6	72.9	158.1	-92.1	-66.6	0	0	0	108.3
25	R	51	Low	60.1	Low	207 Å²	207	120.2 Å²	120.2	78%	0.781	67%	0.669	S	S	*	*			trans	-83.2	108.9	151.8	-93.1	-175.8	176.8	175.1	-0.5	104.7	Y23 D27	Y23-R25 PolarHBondContact O-N 3.04Å; R25-D27 PolarHBondContact O-N 3.02Å
26	S	55.4	Low	62.7	Low	99 Å²	99	117.6 Å²	117.6	69%	0.692	65%	0.647	S	S	*	*			trans	-56.2	102.2	155.1	50.5	0	0	0	0	105.8	V28	S26-V28 PolarHBondContact O-N 3.45Å
27	D	62.2	Low	65.4	Low	152 Å²	152	119.8 Å²	119.8	81%	0.813	64%	0.642	S	S	*	*			trans	-67.8	69.9	167.8	-83.1	-25.1	0	0	0	107.2	R25 C29	R25-D27 PolarHBondContact O-N 3.02Å; D27-C29 PolarHBondContact O-N 2.79Å
28	V	73.4	Confident	67.9	Low	83 Å²	83	116 Å²	116	50%	0.503	62%	0.621	S	S	.	*			trans	-68.7	115.8	170.8	-166.3	0	0	0	0	105	S26 I30 D32 S33	S26-V28 PolarHBondContact O-N 3.45Å; V28-I30 PolarHBondContact O-N 3.02Å; V28-D32 HydrophobicContact CG1-CB 4.46Å; V28-S33 WeakPolarHBondContact CB-OG 3.09Å; V28-S33 WeakPolarHBondContact CG1-OG 3.48Å
29	C	84.8	Confident	70.7	Confident	56 Å²	56	112.7 Å²	112.7	38%	0.378	59%	0.585	S	S	.	*			trans	-54.5	133.8	176.1	-177.7	0	0	0	0	108.5	D27 N31 D32 S33	D27-C29 PolarHBondContact O-N 2.79Å; C29-N31 PolarHBondContact O-N 3.36Å; C29-N31 VanDerWaalsContact O-N 3.11Å; C29-D32 HydrophobicContact CB-CB 4.43Å; C29-D32 WeakPolarHBondContact CB-OD2 3.03Å; C29-D32 PolarHBondContact O-N 3.33Å; C29-S33 PolarHBondContact O-N 3.03Å; C29-S33 VanDerWaalsContact O-N 3.07Å; C29-S33 PolarHBondContact O-OG 2.93Å; C29-S33 VanDerWaalsContact O-OG 3.1Å
30	I	90.4	Very high	73.1	Confident	87 Å²	87	103.7 Å²	103.7	45%	0.446	55%	0.547	S	S	.	.	H	α-helix	trans	-57	-30.7	179.9	-170	167.4	0	0	0	111.8	V28 D32 S33 L34 W61	V28-I30 PolarHBondContact O-N 3.02Å; I30-D32 VanDerWaalsContact C-N 3.27Å; I30-D32 PolarHBondContact O-N 3.26Å; I30-S33 PolarHBondContact O-N 3.27Å; I30-L34 HydrophobicContact CD1-CD1 4.11Å; I30-L34 HydrophobicContact CG1-CD1 3.8Å; I30-L34 HydrophobicContact CG1-CG 4.35Å; I30-L34 PolarHBondContact O-N 3.2Å; I30-W61 HydrophobicContact CG2-CZ2 4.02Å
31	N	89.6	Confident	75.8	Confident	44 Å²	44	103.1 Å²	103.1	24%	0.235	53%	0.529	C	S	.	.	H	α-helix	trans	-68.4	-25.5	177.5	-58.1	-23.1	0	0	0	113	C29 F60 W61	C29-N31 PolarHBondContact O-N 3.36Å; C29-N31 VanDerWaalsContact O-N 3.11Å; N31-F60 HydrophobicContact CB-CD1 4.24Å; N31-F60 HydrophobicContact CB-CE1 4.41Å; N31-W61 PolarHBondContact OD1-NE1 3.28Å
32	D	89.1	Confident	78.2	Confident	133 Å²	133	100.4 Å²	100.4	71%	0.711	52%	0.517	S	S	*	.	H	α-helix	trans	-91.4	-23.5	177.1	-57	-30	0	0	0	111.3	V28 C29 I30	V28-D32 HydrophobicContact CG1-CB 4.46Å; C29-D32 HydrophobicContact CB-CB 4.43Å; C29-D32 WeakPolarHBondContact CB-OD2 3.03Å; C29-D32 PolarHBondContact O-N 3.33Å; I30-D32 VanDerWaalsContact C-N 3.27Å; I30-D32 PolarHBondContact O-N 3.26Å
33	S	90.5	Very high	80.8	Confident	66 Å²	66	94.7 Å²	94.7	46%	0.462	48%	0.477	S	S	.	.	H	α-helix	trans	-84.9	-31.6	-177.7	-55.7	0	0	0	0	113.6	V28 C29 I30	V28-S33 WeakPolarHBondContact CB-OG 3.09Å; V28-S33 WeakPolarHBondContact CG1-OG 3.48Å; C29-S33 PolarHBondContact O-N 3.03Å; C29-S33 VanDerWaalsContact O-N 3.07Å; C29-S33 PolarHBondContact O-OG 2.93Å; C29-S33 VanDerWaalsContact O-OG 3.1Å; I30-S33 PolarHBondContact O-N 3.27Å
34	L	90.8	Very high	82.9	Confident	56 Å²	56	88.1 Å²	88.1	29%	0.293	46%	0.458	S	S	.	.	S	Bend	trans	-118.4	132.8	-174.4	-65.1	178	0	0	0	111	I30 L38 I39	I30-L34 HydrophobicContact CD1-CD1 4.11Å; I30-L34 HydrophobicContact CG1-CD1 3.8Å; I30-L34 HydrophobicContact CG1-CG 4.35Å; I30-L34 PolarHBondContact O-N 3.2Å; L34-L38 HydrophobicContact CB-CB 4.41Å; L34-L38 HydrophobicContact CD2-CD1 4.1Å; L34-I39 HydrophobicContact CB-CD1 4.07Å; L34-I39 HydrophobicContact CB-CG1 3.8Å; L34-I39 HydrophobicContact CD1-CG1 4.35Å
35	P	93.6	Very high	84.9	Confident	71 Å²	71	86 Å²	86	46%	0.461	44%	0.443	S	S	.	.			trans	-64.3	155	171.3	31.9	-37.6	0	0	0	110.6	E37 L38 I39	P35-E37 WeakPolarHBondContact CB-OE2 3.28Å; P35-E37 PolarHBondContact O-N 3.44Å; P35-E37 VanDerWaalsContact O-N 3.1Å; P35-L38 HydrophobicContact CG-CB 4.27Å; P35-L38 HydrophobicContact CG-CD1 3.99Å; P35-L38 HydrophobicContact CG-CG 3.88Å; P35-L38 PolarHBondContact O-N 3.4Å; P35-I39 PolarHBondContact O-N 2.85Å
36	K	92.8	Very high	86.6	Confident	80 Å²	80	78.9 Å²	78.9	35%	0.348	42%	0.42	S	S	.	.	H	α-helix	trans	-52.6	-37.8	-173.9	-179.3	175	177.4	171.1	0	112.5	L38 I39 I40 F60	K36-L38 VanDerWaalsContact C-N 3.33Å; K36-L38 PolarHBondContact O-N 3.05Å; K36-I39 PolarHBondContact O-N 2.71Å; K36-I40 HydrophobicContact CD-CD1 4.45Å; K36-I40 HydrophobicContact CG-CD1 3.87Å; K36-I40 HydrophobicContact CG-CG1 4.43Å; K36-I40 WeakPolarHBondContact O-CG1 3.41Å; K36-I40 PolarHBondContact O-N 3.33Å; K36-F60 HydrophobicContact CB-CE2 4.31Å; K36-F60 HydrophobicContact CB-CZ 4Å; K36-F60 HydrophobicContact CD-CE2 4.19Å; K36-F60 HydrophobicContact CG-CE2 4.13Å; K36-F60 HydrophobicContact CG-CZ 4.02Å
37	E	91.7	Very high	87.8	Confident	135 Å²	135	78.3 Å²	78.3	63%	0.631	41%	0.41	S	S	*	.	H	α-helix	trans	-61.8	-39.4	179.9	-60.1	75.8	-167.1	0	0	112	P35 R41	P35-E37 WeakPolarHBondContact CB-OE2 3.28Å; P35-E37 PolarHBondContact O-N 3.44Å; P35-E37 VanDerWaalsContact O-N 3.1Å; E37-R41 WeakPolarHBondContact O-CB 3.31Å; E37-R41 PolarHBondContact O-N 3.43Å
38	L	94	Very high	88.5	Confident	88 Å²	88	73.1 Å²	73.1	46%	0.461	38%	0.381	S	S	.	.	H	α-helix	trans	-74	-33.4	177.2	-67.9	-171.7	0	0	0	111.7	L34 P35 K36 R41 V42	L34-L38 HydrophobicContact CB-CB 4.41Å; L34-L38 HydrophobicContact CD2-CD1 4.1Å; P35-L38 HydrophobicContact CG-CB 4.27Å; P35-L38 HydrophobicContact CG-CD1 3.99Å; P35-L38 HydrophobicContact CG-CG 3.88Å; P35-L38 PolarHBondContact O-N 3.4Å; K36-L38 VanDerWaalsContact C-N 3.33Å; K36-L38 PolarHBondContact O-N 3.05Å; L38-R41 WeakPolarHBondContact O-CB 3.22Å; L38-R41 PolarHBondContact O-N 2.71Å; L38-V42 WeakPolarHBondContact O-CG2 3.46Å; L38-V42 PolarHBondContact O-N 2.87Å
39	I	93.9	Very high	88.9	Confident	4 Å²	4	72.1 Å²	72.1	2%	0.021	38%	0.376	C	S	.	.	H	α-helix	trans	-68.4	-43.9	175.6	-66.2	174.2	0	0	0	110.6	L34 P35 K36 R41 V42 F43 F60 C64	L34-I39 HydrophobicContact CB-CD1 4.07Å; L34-I39 HydrophobicContact CB-CG1 3.8Å; L34-I39 HydrophobicContact CD1-CG1 4.35Å; P35-I39 PolarHBondContact O-N 2.85Å; K36-I39 PolarHBondContact O-N 2.71Å; I39-R41 VanDerWaalsContact C-N 3.27Å; I39-R41 PolarHBondContact O-N 3Å; I39-V42 WeakPolarHBondContact O-CB 3.47Å; I39-V42 PolarHBondContact O-N 3.43Å; I39-F43 HydrophobicContact CG2-CD1 4.5Å; I39-F43 HydrophobicContact CG2-CE1 4.21Å; I39-F43 HydrophobicContact CG2-CZ 4.22Å; I39-F43 PolarHBondContact O-N 2.95Å; I39-F60 HydrophobicContact CD1-CE1 3.58Å; I39-F60 HydrophobicContact CD1-CZ 4.21Å; I39-F60 HydrophobicContact CG2-CE1 4.42Å; I39-C64 HydrophobicContact CG2-CB 4.19Å
40	I	90.8	Very high	89	Confident	21 Å²	21	71.6 Å²	71.6	11%	0.108	37%	0.371	C	S	.	.	H	α-helix	trans	-60.1	-40.8	171.2	-69.2	169.1	0	0	0	110.1	K36 V42 F43 S44 C64 D67 S69 N70	K36-I40 HydrophobicContact CD-CD1 4.45Å; K36-I40 HydrophobicContact CG-CD1 3.87Å; K36-I40 HydrophobicContact CG-CG1 4.43Å; K36-I40 WeakPolarHBondContact O-CG1 3.41Å; K36-I40 PolarHBondContact O-N 3.33Å; I40-V42 VanDerWaalsContact C-N 3.34Å; I40-V42 PolarHBondContact O-N 3.28Å; I40-F43 CarbonylContact O-C 3.57Å; I40-F43 PolarHBondContact O-N 3.1Å; I40-F43 VanDerWaalsContact O-N 3.16Å; I40-S44 PolarHBondContact O-N 2.84Å; I40-C64 HydrophobicContact CG1-CB 4.11Å; I40-D67 HydrophobicContact CD1-CB 3.94Å; I40-D67 HydrophobicContact CG1-CB 4.2Å; I40-D67 HydrophobicContact CG2-CB 4.43Å; I40-S69 WeakPolarHBondContact CG2-OG 3.49Å; I40-N70 PolarHBondContact O-OD1 2.85Å
41	R	90.6	Very high	88.9	Confident	127 Å²	127	67.6 Å²	67.6	48%	0.479	35%	0.35	S	S	.	.	H	α-helix	trans	-61.6	-40.1	175.6	-171.7	64.4	177.1	106.6	2.4	112.3	E37 L38 I39 S44 Y45	E37-R41 WeakPolarHBondContact O-CB 3.31Å; E37-R41 PolarHBondContact O-N 3.43Å; L38-R41 WeakPolarHBondContact O-CB 3.22Å; L38-R41 PolarHBondContact O-N 2.71Å; I39-R41 VanDerWaalsContact C-N 3.27Å; I39-R41 PolarHBondContact O-N 3Å; R41-S44 PolarHBondContact NH1-OG 3.3Å; R41-S44 PolarHBondContact O-N 2.96Å; R41-S44 PolarHBondContact O-OG 3.38Å; R41-Y45 VanDerWaalsContact CZ-OH 3.27Å; R41-Y45 PolarHBondContact NH1-OH 3.13Å; R41-Y45 PolarHBondContact NH2-OH 3.48Å; R41-Y45 WeakPolarHBondContact O-CD2 3.37Å
42	V	92.3	Very high	88.6	Confident	76 Å²	76	67.5 Å²	67.5	46%	0.461	35%	0.353	S	S	.	.	H	α-helix	trans	-62.6	-46.5	172.7	171	0	0	0	0	110.4	L38 I39 I40 S44 Y45	L38-V42 WeakPolarHBondContact O-CG2 3.46Å; L38-V42 PolarHBondContact O-N 2.87Å; I39-V42 WeakPolarHBondContact O-CB 3.47Å; I39-V42 PolarHBondContact O-N 3.43Å; I40-V42 VanDerWaalsContact C-N 3.34Å; I40-V42 PolarHBondContact O-N 3.28Å; V42-S44 PolarHBondContact O-N 3.45Å; V42-Y45 WeakPolarHBondContact O-CB 3.45Å; V42-Y45 PolarHBondContact O-N 2.94Å; V42-Y45 VanDerWaalsContact O-N 3.09Å
43	F	91.6	Very high	88.7	Confident	5 Å²	5	67.4 Å²	67.4	2%	0.022	35%	0.346	C	S	.	.	H	α-helix	trans	-62.3	-29.8	179.4	-79.7	15.3	0	0	0	113.1	I39 I40 Y45 L46 L51 C54 W61 C64 A65	I39-F43 HydrophobicContact CG2-CD1 4.5Å; I39-F43 HydrophobicContact CG2-CE1 4.21Å; I39-F43 HydrophobicContact CG2-CZ 4.22Å; I39-F43 PolarHBondContact O-N 2.95Å; I40-F43 CarbonylContact O-C 3.57Å; I40-F43 PolarHBondContact O-N 3.1Å; I40-F43 VanDerWaalsContact O-N 3.16Å; F43-Y45 PolarHBondContact O-N 2.76Å; F43-L46 HydrophobicContact CD1-CD1 3.69Å; F43-L46 HydrophobicContact CE1-CD1 4.22Å; F43-L46 HydrophobicContact CG-CD1 4.25Å; F43-L46 WeakPolarHBondContact O-CB 3.4Å; F43-L46 PolarHBondContact O-N 3.34Å; F43-L51 HydrophobicContact CB-CD2 3.72Å; F43-L51 HydrophobicContact CD2-CD2 4.07Å; F43-L51 HydrophobicContact CG-CD2 4.01Å; F43-C54 HydrophobicContact CE1-CB 4.33Å; F43-C54 HydrophobicContact CE2-CB 4.13Å; F43-C54 HydrophobicContact CZ-CB 3.85Å; F43-W61 HydrophobicContact CE1-CD2 4.33Å; F43-W61 HydrophobicContact CE1-CE3 4.2Å; F43-W61 HydrophobicContact CE1-CH2 4.44Å; F43-W61 HydrophobicContact CE1-CZ3 4.26Å; F43-W61 HydrophobicContact CE2-CB 4.44Å; F43-W61 HydrophobicContact CZ-CB 4.24Å; F43-W61 AromaticContact CZ-CD2 3.6Å; F43-W61 HydrophobicContact CZ-CD2 3.6Å; F43-W61 AromaticContact CZ-CE3 3.64Å; F43-W61 HydrophobicContact CZ-CE3 3.64Å; F43-W61 AromaticContact CZ-CG 3.89Å; F43-W61 HydrophobicContact CZ-CG 3.89Å; F43-W61 HydrophobicContact CZ-CZ3 4.16Å; F43-C64 HydrophobicContact CD2-CB 3.81Å; F43-C64 HydrophobicContact CE2-CB 3.63Å; F43-A65 HydrophobicContact CD2-CB 4.08Å; F43-A65 HydrophobicContact CE2-CB 3.92Å
44	S	87.5	Confident	88.8	Confident	50 Å²	50	64.9 Å²	64.9	35%	0.35	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-11.7	175.4	76.5	0	0	0	0	114.4	I40 R41 V42 N70	I40-S44 PolarHBondContact O-N 2.84Å; R41-S44 PolarHBondContact NH1-OG 3.3Å; R41-S44 PolarHBondContact O-N 2.96Å; R41-S44 PolarHBondContact O-OG 3.38Å; V42-S44 PolarHBondContact O-N 3.45Å; S44-N70 WeakPolarHBondContact CA-OD1 3.21Å; S44-N70 PolarHBondContact N-OD1 2.65Å; S44-N70 VanDerWaalsContact N-OD1 3.12Å
45	Y	87.8	Confident	88.7	Confident	165 Å²	165	63 Å²	63	65%	0.647	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.5	-4.6	174.3	-68.6	-80	0	0	0	113.9	R41 V42 F43	R41-Y45 VanDerWaalsContact CZ-OH 3.27Å; R41-Y45 PolarHBondContact NH1-OH 3.13Å; R41-Y45 PolarHBondContact NH2-OH 3.48Å; R41-Y45 WeakPolarHBondContact O-CD2 3.37Å; V42-Y45 WeakPolarHBondContact O-CB 3.45Å; V42-Y45 PolarHBondContact O-N 2.94Å; V42-Y45 VanDerWaalsContact O-N 3.09Å; F43-Y45 PolarHBondContact O-N 2.76Å
46	L	85.9	Confident	88.6	Confident	58 Å²	58	66.5 Å²	66.5	30%	0.304	33%	0.33	S	S	.	.	S	Bend	trans	-89.8	144.4	-178.2	-58.4	178.9	0	0	0	110.6	F43 T50 L51 C54	F43-L46 HydrophobicContact CD1-CD1 3.69Å; F43-L46 HydrophobicContact CE1-CD1 4.22Å; F43-L46 HydrophobicContact CG-CD1 4.25Å; F43-L46 WeakPolarHBondContact O-CB 3.4Å; F43-L46 PolarHBondContact O-N 3.34Å; L46-T50 HydrophobicContact CB-CG2 4.26Å; L46-T50 HydrophobicContact CD1-CG2 4.18Å; L46-T50 HydrophobicContact CD2-CG2 4.04Å; L46-T50 HydrophobicContact CG-CG2 4.39Å; L46-L51 HydrophobicContact CB-CD2 4.21Å; L46-L51 HydrophobicContact CB-CG 3.96Å; L46-L51 HydrophobicContact CD1-CD2 4.36Å; L46-C54 VanDerWaalsContact CD1-SG 3.58Å
47	D	80.6	Confident	88.7	Confident	88 Å²	88	67.1 Å²	67.1	47%	0.471	34%	0.34	S	S	.	.			trans	-68.2	161.6	170.4	70.4	78.3	0	0	0	111.4	T49 T50 L51	D47-T49 PolarHBondContact O-N 2.94Å; D47-T49 VanDerWaalsContact OD1-CA 3.27Å; D47-T49 WeakPolarHBondContact OD1-CA 3.43Å; D47-T49 WeakPolarHBondContact OD1-CB 3.3Å; D47-T49 PolarHBondContact OD1-N 3.26Å; D47-T50 VanDerWaalsContact CG-OG1 3.31Å; D47-T50 PolarHBondContact O-N 2.9Å; D47-T50 VanDerWaalsContact O-N 3.1Å; D47-T50 PolarHBondContact OD1-N 3.03Å; D47-T50 PolarHBondContact OD1-OG1 3.38Å; D47-T50 WeakPolarHBondContact OD2-CB 3.31Å; D47-T50 PolarHBondContact OD2-OG1 3.05Å; D47-L51 PolarHBondContact O-N 3.06Å
48	I	77.2	Confident	88.8	Confident	42 Å²	42	62.9 Å²	62.9	22%	0.215	33%	0.325	C	S	.	.	H	α-helix	trans	-56.9	-37.8	-177.4	-66	158.2	0	0	0	112.1	L51 C52 W71 I74 L76	I48-L51 PolarHBondContact O-N 3.16Å; I48-C52 WeakPolarHBondContact O-CB 3.13Å; I48-C52 PolarHBondContact O-N 3.33Å; I48-C52 PolarHBondContact O-SG 2.88Å; I48-W71 HydrophobicContact CG1-CZ3 4.25Å; I48-W71 HydrophobicContact CG2-CH2 4.07Å; I48-W71 HydrophobicContact CG2-CZ3 3.74Å; I48-I74 HydrophobicContact CD1-CB 4.21Å; I48-I74 HydrophobicContact CD1-CG1 4.39Å; I48-I74 HydrophobicContact CD1-CG2 3.72Å; I48-L76 HydrophobicContact CD1-CD2 4.44Å
49	T	80.7	Confident	88.7	Confident	63 Å²	63	67.4 Å²	67.4	39%	0.387	34%	0.341	S	S	.	.	H	α-helix	trans	-66.9	-43.6	-179.8	-53.2	0	0	0	0	109.9	D47 C52 K53	D47-T49 PolarHBondContact O-N 2.94Å; D47-T49 VanDerWaalsContact OD1-CA 3.27Å; D47-T49 WeakPolarHBondContact OD1-CA 3.43Å; D47-T49 WeakPolarHBondContact OD1-CB 3.3Å; D47-T49 PolarHBondContact OD1-N 3.26Å; T49-C52 PolarHBondContact O-N 3.07Å; T49-K53 WeakPolarHBondContact O-CG 3.06Å; T49-K53 PolarHBondContact O-N 3.46Å
50	T	87.9	Confident	88.7	Confident	44 Å²	44	70 Å²	70	27%	0.27	35%	0.352	S	S	.	.	H	α-helix	trans	-68.6	-40.7	177.5	-57.8	0	0	0	0	111.5	L46 D47 C52 K53 C54	L46-T50 HydrophobicContact CB-CG2 4.26Å; L46-T50 HydrophobicContact CD1-CG2 4.18Å; L46-T50 HydrophobicContact CD2-CG2 4.04Å; L46-T50 HydrophobicContact CG-CG2 4.39Å; D47-T50 VanDerWaalsContact CG-OG1 3.31Å; D47-T50 PolarHBondContact O-N 2.9Å; D47-T50 VanDerWaalsContact O-N 3.1Å; D47-T50 PolarHBondContact OD1-N 3.03Å; D47-T50 PolarHBondContact OD1-OG1 3.38Å; D47-T50 WeakPolarHBondContact OD2-CB 3.31Å; D47-T50 PolarHBondContact OD2-OG1 3.05Å; T50-C52 VanDerWaalsContact C-N 3.33Å; T50-C52 PolarHBondContact O-N 3.07Å; T50-K53 CarbonylContact O-C 3.57Å; T50-K53 WeakPolarHBondContact O-CA 3.39Å; T50-K53 WeakPolarHBondContact O-CB 3.44Å; T50-K53 PolarHBondContact O-N 3.45Å; T50-C54 PolarHBondContact O-N 3.39Å; T50-C54 PolarHBondContact O-SG 3.31Å; T50-C54 VanDerWaalsContact O-SG 3.33Å
51	L	87.3	Confident	88.9	Confident	3 Å²	3	71.4 Å²	71.4	2%	0.016	36%	0.356	C	S	.	.	H	α-helix	trans	-57.8	-43.8	171.2	-79.9	170.7	0	0	0	112.3	F43 L46 D47 I48 K53 C54 S55 A65 N70	F43-L51 HydrophobicContact CB-CD2 3.72Å; F43-L51 HydrophobicContact CD2-CD2 4.07Å; F43-L51 HydrophobicContact CG-CD2 4.01Å; L46-L51 HydrophobicContact CB-CD2 4.21Å; L46-L51 HydrophobicContact CB-CG 3.96Å; L46-L51 HydrophobicContact CD1-CD2 4.36Å; D47-L51 PolarHBondContact O-N 3.06Å; I48-L51 PolarHBondContact O-N 3.16Å; L51-K53 VanDerWaalsContact C-N 3.28Å; L51-K53 PolarHBondContact O-N 3.06Å; L51-C54 WeakPolarHBondContact O-CB 3.46Å; L51-C54 PolarHBondContact O-N 3.23Å; L51-S55 PolarHBondContact O-N 3.12Å; L51-A65 HydrophobicContact CD2-CB 4.42Å; L51-N70 HydrophobicContact CD1-CB 4.21Å
52	C	84.8	Confident	88.9	Confident	43 Å²	43	70.1 Å²	70.1	29%	0.291	35%	0.352	S	S	.	.	H	α-helix	trans	-62.5	-35.6	175.4	-69.5	0	0	0	0	111.9	I48 T49 T50 S55 Q56	I48-C52 WeakPolarHBondContact O-CB 3.13Å; I48-C52 PolarHBondContact O-N 3.33Å; I48-C52 PolarHBondContact O-SG 2.88Å; T49-C52 PolarHBondContact O-N 3.07Å; T50-C52 VanDerWaalsContact C-N 3.33Å; T50-C52 PolarHBondContact O-N 3.07Å; C52-S55 PolarHBondContact O-OG 3.36Å; C52-Q56 PolarHBondContact O-NE2 3.42Å
53	K	90.5	Very high	88.7	Confident	130 Å²	130	71.7 Å²	71.7	57%	0.565	35%	0.354	S	S	*	.	H	α-helix	trans	-68.6	-43.8	172.6	-69.1	172.2	-178.9	174.4	0	111.5	T49 T50 L51 S55 Q56	T49-K53 WeakPolarHBondContact O-CG 3.06Å; T49-K53 PolarHBondContact O-N 3.46Å; T50-K53 CarbonylContact O-C 3.57Å; T50-K53 WeakPolarHBondContact O-CA 3.39Å; T50-K53 WeakPolarHBondContact O-CB 3.44Å; T50-K53 PolarHBondContact O-N 3.45Å; L51-K53 VanDerWaalsContact C-N 3.28Å; L51-K53 PolarHBondContact O-N 3.06Å; K53-S55 PolarHBondContact O-N 2.94Å; K53-Q56 WeakPolarHBondContact O-CB 3.45Å; K53-Q56 PolarHBondContact O-N 3.08Å
54	C	92.1	Very high	88.7	Confident	13 Å²	13	71.4 Å²	71.4	9%	0.088	35%	0.353	C	S	.	.	H	α-helix	trans	-56.4	-38.6	175	-70.8	0	0	0	0	111.8	F43 L46 T50 L51 Q56 V57 W61	F43-C54 HydrophobicContact CE1-CB 4.33Å; F43-C54 HydrophobicContact CE2-CB 4.13Å; F43-C54 HydrophobicContact CZ-CB 3.85Å; L46-C54 VanDerWaalsContact CD1-SG 3.58Å; T50-C54 PolarHBondContact O-N 3.39Å; T50-C54 PolarHBondContact O-SG 3.31Å; T50-C54 VanDerWaalsContact O-SG 3.33Å; L51-C54 WeakPolarHBondContact O-CB 3.46Å; L51-C54 PolarHBondContact O-N 3.23Å; C54-Q56 PolarHBondContact O-N 3.09Å; C54-V57 WeakPolarHBondContact O-CB 3.33Å; C54-V57 WeakPolarHBondContact O-CG2 3.42Å; C54-V57 PolarHBondContact O-N 3.45Å; C54-W61 HydrophobicContact CB-CE3 3.76Å; C54-W61 HydrophobicContact CB-CZ3 4.13Å; C54-W61 WeakPolarHBondContact O-CB 3.14Å
55	S	90.1	Very high	88.7	Confident	17 Å²	17	69 Å²	69	12%	0.119	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-15.5	178.2	81.5	0	0	0	0	114.6	L51 C52 K53	L51-S55 PolarHBondContact O-N 3.12Å; C52-S55 PolarHBondContact O-OG 3.36Å; K53-S55 PolarHBondContact O-N 2.94Å
56	Q	91.1	Very high	88.6	Confident	144 Å²	144	63 Å²	63	67%	0.673	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.4	-3.9	179.7	-62.2	170	60.1	0	0	113	C52 K53 C54	C52-Q56 PolarHBondContact O-NE2 3.42Å; K53-Q56 WeakPolarHBondContact O-CB 3.45Å; K53-Q56 PolarHBondContact O-N 3.08Å; C54-Q56 PolarHBondContact O-N 3.09Å
57	V	94.8	Very high	88.5	Confident	94 Å²	94	62.6 Å²	62.6	57%	0.57	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-53	-176	176.4	0	0	0	0	111.7	C54 W61	C54-V57 WeakPolarHBondContact O-CB 3.33Å; C54-V57 WeakPolarHBondContact O-CG2 3.42Å; C54-V57 PolarHBondContact O-N 3.45Å; V57-W61 HydrophobicContact CB-CB 4.33Å; V57-W61 HydrophobicContact CB-CD2 4Å; V57-W61 HydrophobicContact CB-CE3 3.62Å; V57-W61 HydrophobicContact CB-CG 4.32Å; V57-W61 HydrophobicContact CB-CZ3 4.3Å; V57-W61 HydrophobicContact CG1-CD2 4.04Å; V57-W61 HydrophobicContact CG1-CE3 3.93Å; V57-W61 HydrophobicContact CG1-CG 4.47Å; V57-W61 HydrophobicContact CG1-CZ3 4.38Å; V57-W61 HydrophobicContact CG2-CD2 4.44Å; V57-W61 HydrophobicContact CG2-CE3 3.57Å; V57-W61 HydrophobicContact CG2-CZ3 3.86Å
58	C	93.3	Very high	88.4	Confident	46 Å²	46	58.9 Å²	58.9	31%	0.311	29%	0.294	S	S	.	.			trans	-159	170.7	177	74.7	0	0	0	0	111.6	F60 W61 Y62	C58-F60 VanDerWaalsContact C-N 3.32Å; C58-F60 PolarHBondContact O-N 2.97Å; C58-W61 PolarHBondContact O-N 3.34Å; C58-W61 VanDerWaalsContact SG-CD1 3.55Å; C58-W61 PolarHBondContact SG-N 3.39Å; C58-W61 VanDerWaalsContact SG-N 3.35Å; C58-Y62 PolarHBondContact O-N 3.48Å
59	K	92.7	Very high	88.6	Confident	183 Å²	183	58.6 Å²	58.6	80%	0.796	30%	0.296	S	S	*	.	H	α-helix	trans	-58.9	-40.4	179.7	-68.1	-176.1	-180	179	0	113.1	Y62 E63	K59-Y62 WeakPolarHBondContact O-CB 3.47Å; K59-Y62 PolarHBondContact O-N 3.38Å; K59-E63 PolarHBondContact O-N 3.26Å
60	F	94.1	Very high	88.7	Confident	59 Å²	59	56.4 Å²	56.4	26%	0.259	28%	0.282	S	S	.	.	H	α-helix	trans	-67.4	-40.7	178.5	179.6	-106	0	0	0	111.9	N31 K36 I39 C58 Y62 E63 C64	N31-F60 HydrophobicContact CB-CD1 4.24Å; N31-F60 HydrophobicContact CB-CE1 4.41Å; K36-F60 HydrophobicContact CB-CE2 4.31Å; K36-F60 HydrophobicContact CB-CZ 4Å; K36-F60 HydrophobicContact CD-CE2 4.19Å; K36-F60 HydrophobicContact CG-CE2 4.13Å; K36-F60 HydrophobicContact CG-CZ 4.02Å; I39-F60 HydrophobicContact CD1-CE1 3.58Å; I39-F60 HydrophobicContact CD1-CZ 4.21Å; I39-F60 HydrophobicContact CG2-CE1 4.42Å; C58-F60 VanDerWaalsContact C-N 3.32Å; C58-F60 PolarHBondContact O-N 2.97Å; F60-Y62 VanDerWaalsContact C-N 3.34Å; F60-E63 PolarHBondContact O-N 3.35Å; F60-C64 PolarHBondContact O-N 3.07Å; F60-C64 PolarHBondContact O-SG 3.43Å
61	W	94.1	Very high	88.3	Confident	50 Å²	50	55.2 Å²	55.2	19%	0.189	27%	0.272	C	S	.	.	H	α-helix	trans	-68.7	-32.4	173.6	-79.7	34.6	0	0	0	112.2	I30 N31 F43 C54 V57 C58 C64 A65	I30-W61 HydrophobicContact CG2-CZ2 4.02Å; N31-W61 PolarHBondContact OD1-NE1 3.28Å; F43-W61 HydrophobicContact CE1-CD2 4.33Å; F43-W61 HydrophobicContact CE1-CE3 4.2Å; F43-W61 HydrophobicContact CE1-CH2 4.44Å; F43-W61 HydrophobicContact CE1-CZ3 4.26Å; F43-W61 HydrophobicContact CE2-CB 4.44Å; F43-W61 HydrophobicContact CZ-CB 4.24Å; F43-W61 AromaticContact CZ-CD2 3.6Å; F43-W61 HydrophobicContact CZ-CD2 3.6Å; F43-W61 AromaticContact CZ-CE3 3.64Å; F43-W61 HydrophobicContact CZ-CE3 3.64Å; F43-W61 AromaticContact CZ-CG 3.89Å; F43-W61 HydrophobicContact CZ-CG 3.89Å; F43-W61 HydrophobicContact CZ-CZ3 4.16Å; C54-W61 HydrophobicContact CB-CE3 3.76Å; C54-W61 HydrophobicContact CB-CZ3 4.13Å; C54-W61 WeakPolarHBondContact O-CB 3.14Å; V57-W61 HydrophobicContact CB-CB 4.33Å; V57-W61 HydrophobicContact CB-CD2 4Å; V57-W61 HydrophobicContact CB-CE3 3.62Å; V57-W61 HydrophobicContact CB-CG 4.32Å; V57-W61 HydrophobicContact CB-CZ3 4.3Å; V57-W61 HydrophobicContact CG1-CD2 4.04Å; V57-W61 HydrophobicContact CG1-CE3 3.93Å; V57-W61 HydrophobicContact CG1-CG 4.47Å; V57-W61 HydrophobicContact CG1-CZ3 4.38Å; V57-W61 HydrophobicContact CG2-CD2 4.44Å; V57-W61 HydrophobicContact CG2-CE3 3.57Å; V57-W61 HydrophobicContact CG2-CZ3 3.86Å; C58-W61 PolarHBondContact O-N 3.34Å; C58-W61 VanDerWaalsContact SG-CD1 3.55Å; C58-W61 PolarHBondContact SG-N 3.39Å; C58-W61 VanDerWaalsContact SG-N 3.35Å; W61-C64 PolarHBondContact O-N 3.45Å; W61-A65 WeakPolarHBondContact O-CA 3.38Å; W61-A65 WeakPolarHBondContact O-CB 3.27Å; W61-A65 PolarHBondContact O-N 3.18Å
62	Y	90.8	Very high	87.8	Confident	99 Å²	99	60 Å²	60	39%	0.388	29%	0.293	S	S	.	.	H	α-helix	trans	-58.8	-50.4	170	179.2	-86.9	0	0	0	110.7	C58 K59 F60 C64 A65 F66 R94	C58-Y62 PolarHBondContact O-N 3.48Å; K59-Y62 WeakPolarHBondContact O-CB 3.47Å; K59-Y62 PolarHBondContact O-N 3.38Å; F60-Y62 VanDerWaalsContact C-N 3.34Å; Y62-C64 PolarHBondContact O-N 3.18Å; Y62-A65 PolarHBondContact O-N 3.29Å; Y62-F66 HydrophobicContact CD1-CD2 4.23Å; Y62-F66 AromaticContact CD2-CD2 3.8Å; Y62-F66 HydrophobicContact CD2-CD2 3.8Å; Y62-F66 AromaticContact CD2-CE2 3.71Å; Y62-F66 HydrophobicContact CD2-CE2 3.71Å; Y62-F66 HydrophobicContact CE1-CD2 4.04Å; Y62-F66 AromaticContact CE2-CD2 3.6Å; Y62-F66 HydrophobicContact CE2-CD2 3.6Å; Y62-F66 AromaticContact CE2-CE2 3.37Å; Y62-F66 HydrophobicContact CE2-CE2 3.37Å; Y62-F66 HydrophobicContact CE2-CZ 4.48Å; Y62-F66 HydrophobicContact CG-CD2 4.1Å; Y62-F66 HydrophobicContact CG-CE2 4.45Å; Y62-F66 AromaticContact CZ-CD2 3.72Å; Y62-F66 AromaticContact CZ-CE2 3.88Å; Y62-F66 WeakPolarHBondContact O-CB 3.29Å; Y62-F66 VanDerWaalsContact O-CD2 3.29Å; Y62-F66 WeakPolarHBondContact O-CD2 3.35Å; Y62-F66 PolarHBondContact O-N 3.22Å; Y62-R94 PolarHBondContact OH-NH1 2.85Å
63	E	88.7	Confident	87.4	Confident	109 Å²	109	60.8 Å²	60.8	51%	0.509	30%	0.299	S	S	.	.	H	α-helix	trans	-61.7	-44	177	-71.1	179.1	-164.5	0	0	112.5	K59 F60 F66 D67	K59-E63 PolarHBondContact O-N 3.26Å; F60-E63 PolarHBondContact O-N 3.35Å; E63-F66 CarbonylContact O-C 3.53Å; E63-F66 PolarHBondContact O-N 3.33Å; E63-D67 PolarHBondContact O-N 3.11Å; E63-D67 VanDerWaalsContact O-N 3.09Å
64	C	90.5	Very high	86.7	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-67.2	-44.2	178.6	-64.8	0	0	0	0	111.6	I39 I40 F43 F60 W61 Y62 F66 D67 N70	I39-C64 HydrophobicContact CG2-CB 4.19Å; I40-C64 HydrophobicContact CG1-CB 4.11Å; F43-C64 HydrophobicContact CD2-CB 3.81Å; F43-C64 HydrophobicContact CE2-CB 3.63Å; F60-C64 PolarHBondContact O-N 3.07Å; F60-C64 PolarHBondContact O-SG 3.43Å; W61-C64 PolarHBondContact O-N 3.45Å; Y62-C64 PolarHBondContact O-N 3.18Å; C64-F66 PolarHBondContact O-N 3.11Å; C64-D67 VanDerWaalsContact O-CB 3.32Å; C64-D67 WeakPolarHBondContact O-CB 3.48Å; C64-D67 PolarHBondContact O-N 2.59Å; C64-D67 VanDerWaalsContact O-N 3.14Å; C64-N70 PolarHBondContact O-ND2 2.63Å
65	A	88.5	Confident	86	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-62.6	-33.8	179.7	0	0	0	0	0	111.6	F43 L51 W61 Y62 W71	F43-A65 HydrophobicContact CD2-CB 4.08Å; F43-A65 HydrophobicContact CE2-CB 3.92Å; L51-A65 HydrophobicContact CD2-CB 4.42Å; W61-A65 WeakPolarHBondContact O-CA 3.38Å; W61-A65 WeakPolarHBondContact O-CB 3.27Å; W61-A65 PolarHBondContact O-N 3.18Å; Y62-A65 PolarHBondContact O-N 3.29Å; A65-W71 PolarHBondContact O-NE1 3.49Å
66	F	84.3	Confident	85.3	Confident	37 Å²	37	57.9 Å²	57.9	16%	0.162	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	11.1	177.3	-72.3	-67.4	0	0	0	114.6	M1 Y62 E63 C64 G68 W71	M1-F66 HydrophobicContact CE-CZ 4.31Å; Y62-F66 HydrophobicContact CD1-CD2 4.23Å; Y62-F66 AromaticContact CD2-CD2 3.8Å; Y62-F66 HydrophobicContact CD2-CD2 3.8Å; Y62-F66 AromaticContact CD2-CE2 3.71Å; Y62-F66 HydrophobicContact CD2-CE2 3.71Å; Y62-F66 HydrophobicContact CE1-CD2 4.04Å; Y62-F66 AromaticContact CE2-CD2 3.6Å; Y62-F66 HydrophobicContact CE2-CD2 3.6Å; Y62-F66 AromaticContact CE2-CE2 3.37Å; Y62-F66 HydrophobicContact CE2-CE2 3.37Å; Y62-F66 HydrophobicContact CE2-CZ 4.48Å; Y62-F66 HydrophobicContact CG-CD2 4.1Å; Y62-F66 HydrophobicContact CG-CE2 4.45Å; Y62-F66 AromaticContact CZ-CD2 3.72Å; Y62-F66 AromaticContact CZ-CE2 3.88Å; Y62-F66 WeakPolarHBondContact O-CB 3.29Å; Y62-F66 VanDerWaalsContact O-CD2 3.29Å; Y62-F66 WeakPolarHBondContact O-CD2 3.35Å; Y62-F66 PolarHBondContact O-N 3.22Å; E63-F66 CarbonylContact O-C 3.53Å; E63-F66 PolarHBondContact O-N 3.33Å; C64-F66 PolarHBondContact O-N 3.11Å; F66-G68 PolarHBondContact O-N 2.62Å; F66-W71 AromaticContact CD1-CZ2 3.8Å; F66-W71 HydrophobicContact CD1-CZ2 3.8Å; F66-W71 HydrophobicContact CE1-CH2 4.3Å; F66-W71 AromaticContact CE1-CZ2 3.7Å; F66-W71 HydrophobicContact CE1-CZ2 3.7Å
67	D	85	Confident	84.4	Confident	51 Å²	51	55.7 Å²	55.7	27%	0.273	28%	0.276	S	S	.	.			trans	-62.3	130.6	169.2	-173.6	-86.4	0	0	0	110.1	I40 E63 C64 S69 N70 W71	I40-D67 HydrophobicContact CD1-CB 3.94Å; I40-D67 HydrophobicContact CG1-CB 4.2Å; I40-D67 HydrophobicContact CG2-CB 4.43Å; E63-D67 PolarHBondContact O-N 3.11Å; E63-D67 VanDerWaalsContact O-N 3.09Å; C64-D67 VanDerWaalsContact O-CB 3.32Å; C64-D67 WeakPolarHBondContact O-CB 3.48Å; C64-D67 PolarHBondContact O-N 2.59Å; C64-D67 VanDerWaalsContact O-N 3.14Å; D67-S69 PolarHBondContact O-N 3.06Å; D67-S69 WeakPolarHBondContact OD1-CB 3.38Å; D67-S69 PolarHBondContact OD1-N 2.84Å; D67-S69 PolarHBondContact OD1-OG 3.06Å; D67-N70 WeakPolarHBondContact O-CB 3.45Å; D67-N70 PolarHBondContact O-N 3Å; D67-W71 VanDerWaalsContact O-CD1 3.25Å
68	G	78.2	Confident	83.2	Confident	10 Å²	10	57.8 Å²	57.8	10%	0.103	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-56.8	-25.3	-174.2	0	0	0	0	0	113.8	F66 N70 W71 F98	F66-G68 PolarHBondContact O-N 2.62Å; G68-N70 PolarHBondContact O-N 3.22Å; G68-W71 PolarHBondContact O-N 2.75Å; G68-W71 VanDerWaalsContact O-N 3.15Å; G68-F98 WeakPolarHBondContact O-CB 3.38Å
69	S	81.3	Confident	81.9	Confident	36 Å²	36	59.5 Å²	59.5	25%	0.252	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-67.2	-22.9	177.5	69.8	0	0	0	0	114.1	I40 D67 W71 K72	I40-S69 WeakPolarHBondContact CG2-OG 3.49Å; D67-S69 PolarHBondContact O-N 3.06Å; D67-S69 WeakPolarHBondContact OD1-CB 3.38Å; D67-S69 PolarHBondContact OD1-N 2.84Å; D67-S69 PolarHBondContact OD1-OG 3.06Å; S69-W71 VanDerWaalsContact C-N 3.33Å; S69-K72 WeakPolarHBondContact O-CG 3.42Å
70	N	82.2	Confident	80.9	Confident	16 Å²	16	53.6 Å²	53.6	9%	0.086	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-80.2	-14.6	175.3	-68.6	-34.8	0	0	0	113.1	I40 S44 L51 C64 D67 G68	I40-N70 PolarHBondContact O-OD1 2.85Å; S44-N70 WeakPolarHBondContact CA-OD1 3.21Å; S44-N70 PolarHBondContact N-OD1 2.65Å; S44-N70 VanDerWaalsContact N-OD1 3.12Å; L51-N70 HydrophobicContact CD1-CB 4.21Å; C64-N70 PolarHBondContact O-ND2 2.63Å; D67-N70 WeakPolarHBondContact O-CB 3.45Å; D67-N70 PolarHBondContact O-N 3Å; G68-N70 PolarHBondContact O-N 3.22Å
71	W	80.5	Confident	79.8	Confident	19 Å²	19	60.6 Å²	60.6	7%	0.072	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-111.1	25.3	-176.4	-57.1	89.3	0	0	0	112	I48 A65 F66 D67 G68 S69 S73 I74 L99	I48-W71 HydrophobicContact CG1-CZ3 4.25Å; I48-W71 HydrophobicContact CG2-CH2 4.07Å; I48-W71 HydrophobicContact CG2-CZ3 3.74Å; A65-W71 PolarHBondContact O-NE1 3.49Å; F66-W71 AromaticContact CD1-CZ2 3.8Å; F66-W71 HydrophobicContact CD1-CZ2 3.8Å; F66-W71 HydrophobicContact CE1-CH2 4.3Å; F66-W71 AromaticContact CE1-CZ2 3.7Å; F66-W71 HydrophobicContact CE1-CZ2 3.7Å; D67-W71 VanDerWaalsContact O-CD1 3.25Å; G68-W71 PolarHBondContact O-N 2.75Å; G68-W71 VanDerWaalsContact O-N 3.15Å; S69-W71 VanDerWaalsContact C-N 3.33Å; W71-S73 VanDerWaalsContact C-N 3.33Å; W71-S73 PolarHBondContact O-N 3.24Å; W71-I74 HydrophobicContact CB-CD1 4.32Å; W71-I74 HydrophobicContact CE3-CD1 3.8Å; W71-I74 HydrophobicContact CE3-CG1 4.11Å; W71-L99 WeakPolarHBondContact O-CD1 3.47Å
72	K	75.7	Confident	78.6	Confident	103 Å²	103	66.4 Å²	66.4	45%	0.448	31%	0.31	S	S	.	.	S	Bend	trans	-65.5	-35	179.1	-73.6	176	-177.4	176.6	0	113	S69 R100 E101	S69-K72 WeakPolarHBondContact O-CG 3.42Å; K72-R100 PolarHBondContact O-N 3.32Å; K72-E101 PolarHBondContact O-N 3.13Å
73	S	77.2	Confident	77.8	Confident	61 Å²	61	61.9 Å²	61.9	43%	0.427	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	125.4	177.6	-175.9	0	0	0	0	109.3	W71 E101	W71-S73 VanDerWaalsContact C-N 3.33Å; W71-S73 PolarHBondContact O-N 3.24Å; S73-E101 WeakPolarHBondContact CA-O 3.45Å; S73-E101 VanDerWaalsContact OG-CD 3.32Å; S73-E101 PolarHBondContact OG-OE2 3.21Å
74	I	75.7	Confident	77.4	Confident	1 Å²	1	61.3 Å²	61.3	1%	0.005	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	126.7	-179.4	-66.8	173.7	0	0	0	109.1	I48 W71 L76 I91 L99 E101 L102 R103	I48-I74 HydrophobicContact CD1-CB 4.21Å; I48-I74 HydrophobicContact CD1-CG1 4.39Å; I48-I74 HydrophobicContact CD1-CG2 3.72Å; W71-I74 HydrophobicContact CB-CD1 4.32Å; W71-I74 HydrophobicContact CE3-CD1 3.8Å; W71-I74 HydrophobicContact CE3-CG1 4.11Å; I74-L76 HydrophobicContact CG2-CD2 3.98Å; I74-L76 HydrophobicContact CG2-CG 4.01Å; I74-I91 HydrophobicContact CD1-CB 4.47Å; I74-I91 HydrophobicContact CD1-CG1 4.39Å; I74-I91 HydrophobicContact CD1-CG2 3.37Å; I74-I91 HydrophobicContact CG2-CD1 4.26Å; I74-L99 HydrophobicContact CB-CD1 4.32Å; I74-L99 HydrophobicContact CD1-CD1 3.7Å; I74-L99 HydrophobicContact CG1-CD1 3.89Å; I74-E101 PolarHBondContact N-O 3.33Å; I74-L102 HydrophobicContact CB-CD1 3.83Å; I74-L102 HydrophobicContact CG2-CD1 3.7Å; I74-L102 CarbonylContact O-C 3.41Å; I74-L102 WeakPolarHBondContact O-CA 3.13Å; I74-R103 PolarHBondContact O-N 2.83Å
75	N	77.5	Confident	77	Confident	85 Å²	85	62.7 Å²	62.7	46%	0.455	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	117.3	174.1	-174.1	-0.1	0	0	0	110.5	F77 R103	N75-F77 WeakPolarHBondContact OD1-CB 3.46Å; N75-F77 PolarHBondContact OD1-N 2.95Å; N75-R103 HydrophobicContact CB-CB 4.37Å
76	L	75.1	Confident	76.9	Confident	13 Å²	13	69.6 Å²	69.6	7%	0.068	33%	0.329	C	S	.	.			trans	-106.8	19.8	178.4	-57.2	-176.1	0	0	0	113.1	I48 I74 D78 F79 V83 V87 I91 R103 L104	I48-L76 HydrophobicContact CD1-CD2 4.44Å; I74-L76 HydrophobicContact CG2-CD2 3.98Å; I74-L76 HydrophobicContact CG2-CG 4.01Å; L76-D78 PolarHBondContact O-N 3.39Å; L76-D78 VanDerWaalsContact O-N 3.16Å; L76-F79 HydrophobicContact CD2-CD2 4.39Å; L76-F79 PolarHBondContact O-N 3.35Å; L76-V83 HydrophobicContact CB-CG2 3.93Å; L76-V83 HydrophobicContact CD1-CG1 4.15Å; L76-V83 HydrophobicContact CD1-CG2 3.73Å; L76-V83 HydrophobicContact CG-CG2 4.45Å; L76-V87 HydrophobicContact CD1-CG1 4.32Å; L76-I91 HydrophobicContact CD1-CD1 3.68Å; L76-R103 PolarHBondContact N-O 3.24Å; L76-L104 HydrophobicContact CB-CD2 4.3Å; L76-L104 HydrophobicContact CD1-CD2 3.63Å; L76-L104 HydrophobicContact CG-CD2 4.21Å
77	F	72.6	Confident	76.9	Confident	97 Å²	97	69.3 Å²	69.3	43%	0.425	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-52.8	-37.1	-177.1	-178.4	-96.8	0	0	0	113.3	N75 F79 Q80 K105	N75-F77 WeakPolarHBondContact OD1-CB 3.46Å; N75-F77 PolarHBondContact OD1-N 2.95Å; F77-F79 PolarHBondContact O-N 3.26Å; F77-Q80 WeakPolarHBondContact O-CG 3.39Å; F77-K105 HydrophobicContact CD2-CB 4.14Å; F77-K105 HydrophobicContact CD2-CD 4.48Å; F77-K105 HydrophobicContact CD2-CG 4.11Å; F77-K105 HydrophobicContact CE2-CD 4.3Å; F77-K105 HydrophobicContact CE2-CG 4.12Å
78	D	69.1	Low	77	Confident	138 Å²	138	66.9 Å²	66.9	74%	0.738	32%	0.317	S	S	*	.	G	3₁₀ helix	trans	-73.6	-9.3	-179.7	-60.6	-41.9	0	0	0	113.7	L76	L76-D78 PolarHBondContact O-N 3.39Å; L76-D78 VanDerWaalsContact O-N 3.16Å
79	F	66	Low	77.4	Confident	83 Å²	83	69.1 Å²	69.1	36%	0.364	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	-114.2	15.8	-172	-54.2	-76.6	0	0	0	113.4	L76 F77 R81 Y82 V83	L76-F79 HydrophobicContact CD2-CD2 4.39Å; L76-F79 PolarHBondContact O-N 3.35Å; F77-F79 PolarHBondContact O-N 3.26Å; F79-R81 PolarHBondContact O-N 3.09Å; F79-Y82 WeakPolarHBondContact O-CA 3.32Å; F79-Y82 PolarHBondContact O-N 3.21Å; F79-V83 HydrophobicContact CB-CG2 3.89Å; F79-V83 WeakPolarHBondContact O-CG2 3.17Å; F79-V83 PolarHBondContact O-N 3.02Å
80	Q	72.7	Confident	77.5	Confident	59 Å²	59	72.5 Å²	72.5	28%	0.276	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-43.3	-43.9	-170.9	-50.2	-170.7	-37.3	0	0	114.9	F77 K105 G106 C107	F77-Q80 WeakPolarHBondContact O-CG 3.39Å; Q80-K105 WeakPolarHBondContact CG-O 3.49Å; Q80-K105 PolarHBondContact NE2-O 2.57Å; Q80-G106 WeakPolarHBondContact CB-O 3.29Å; Q80-C107 WeakPolarHBondContact O-CA 3.4Å
81	R	69.9	Low	77.7	Confident	205 Å²	205	72.7 Å²	72.7	77%	0.774	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-20.6	-177.9	-62.7	-175.1	-177.4	-171.9	1.5	113.5	F79 N109	F79-R81 PolarHBondContact O-N 3.09Å; R81-N109 PolarHBondContact O-ND2 3.46Å
82	Y	68.7	Low	78	Confident	173 Å²	173	71.8 Å²	71.8	68%	0.678	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.1	-18.7	-172	-58.5	-74.5	0	0	0	113.5	F79 Q84	F79-Y82 WeakPolarHBondContact O-CA 3.32Å; F79-Y82 PolarHBondContact O-N 3.21Å; Y82-Q84 PolarHBondContact O-N 3.33Å
83	V	74.3	Confident	78.4	Confident	4 Å²	4	72 Å²	72	2%	0.024	33%	0.334	C	S	.	.			trans	-66.3	102.1	177	178.7	0	0	0	0	109.5	L76 F79 V87 V88 L104 C107 N109 V110	L76-V83 HydrophobicContact CB-CG2 3.93Å; L76-V83 HydrophobicContact CD1-CG1 4.15Å; L76-V83 HydrophobicContact CD1-CG2 3.73Å; L76-V83 HydrophobicContact CG-CG2 4.45Å; F79-V83 HydrophobicContact CB-CG2 3.89Å; F79-V83 WeakPolarHBondContact O-CG2 3.17Å; F79-V83 PolarHBondContact O-N 3.02Å; V83-V87 HydrophobicContact CG1-CB 4.32Å; V83-V88 HydrophobicContact CG1-CG2 4.03Å; V83-L104 HydrophobicContact CG1-CD2 4.46Å; V83-C107 HydrophobicContact CB-CB 4.24Å; V83-C107 HydrophobicContact CG1-CB 4.43Å; V83-N109 WeakPolarHBondContact O-CB 3.49Å; V83-V110 HydrophobicContact CG1-CG2 4.03Å
84	Q	81.5	Confident	78.6	Confident	97 Å²	97	75.3 Å²	75.3	45%	0.453	34%	0.338	S	S	.	.			trans	-83.2	153.9	170.5	-63.1	-60.4	-41.2	0	0	110	Y82 K86 V87 N109	Y82-Q84 PolarHBondContact O-N 3.33Å; Q84-K86 PolarHBondContact O-N 3.14Å; Q84-K86 VanDerWaalsContact O-N 3.08Å; Q84-V87 HydrophobicContact CB-CG2 4.47Å; Q84-V87 VanDerWaalsContact O-CB 3.31Å; Q84-V87 WeakPolarHBondContact O-CB 3.48Å; Q84-V87 PolarHBondContact O-N 3.12Å; Q84-N109 PolarHBondContact NE2-ND2 3.31Å
85	P	82.1	Confident	78.8	Confident	29 Å²	29	75.3 Å²	75.3	19%	0.188	34%	0.338	C	S	.	.	H	α-helix	trans	-43.8	-44.3	174.5	-35.5	39.1	0	0	0	114.4	V87 V88 E89 N109 A114	P85-V87 PolarHBondContact O-N 3.12Å; P85-V87 VanDerWaalsContact O-N 3.11Å; P85-V88 WeakPolarHBondContact O-CB 3.45Å; P85-V88 PolarHBondContact O-N 3.27Å; P85-E89 PolarHBondContact O-N 2.82Å; P85-E89 VanDerWaalsContact O-N 3.16Å; P85-N109 WeakPolarHBondContact CD-O 3.45Å; P85-N109 VanDerWaalsContact CG-O 3.3Å; P85-N109 WeakPolarHBondContact CG-O 3.31Å; P85-A114 HydrophobicContact CB-CB 3.88Å
86	K	85.5	Confident	78.9	Confident	145 Å²	145	79.1 Å²	79.1	63%	0.63	35%	0.346	S	S	*	.	H	α-helix	trans	-60.1	-23.3	179	-66.7	-176.5	178.4	178.9	0	114.3	Q84 K90	Q84-K86 PolarHBondContact O-N 3.14Å; Q84-K86 VanDerWaalsContact O-N 3.08Å; K86-K90 WeakPolarHBondContact O-CB 3.49Å; K86-K90 WeakPolarHBondContact O-CD 3.21Å; K86-K90 WeakPolarHBondContact O-CG 3.22Å; K86-K90 PolarHBondContact O-N 2.93Å; K86-K90 VanDerWaalsContact O-N 3.14Å
87	V	84.9	Confident	79.1	Confident	31 Å²	31	79.4 Å²	79.4	19%	0.188	35%	0.351	C	S	.	.	H	α-helix	trans	-71.8	-44.6	175.9	178.6	0	0	0	0	109.6	F4 L76 V83 Q84 P85 E89 K90 I91	F4-V87 HydrophobicContact CE2-CG2 4.23Å; F4-V87 HydrophobicContact CZ-CG2 4.36Å; L76-V87 HydrophobicContact CD1-CG1 4.32Å; V83-V87 HydrophobicContact CG1-CB 4.32Å; Q84-V87 HydrophobicContact CB-CG2 4.47Å; Q84-V87 VanDerWaalsContact O-CB 3.31Å; Q84-V87 WeakPolarHBondContact O-CB 3.48Å; Q84-V87 PolarHBondContact O-N 3.12Å; P85-V87 PolarHBondContact O-N 3.12Å; P85-V87 VanDerWaalsContact O-N 3.11Å; V87-E89 PolarHBondContact O-N 3.05Å; V87-K90 PolarHBondContact O-N 3.34Å; V87-I91 HydrophobicContact CG1-CD1 3.96Å; V87-I91 WeakPolarHBondContact O-CG1 3.24Å; V87-I91 PolarHBondContact O-N 3.04Å
88	V	86.1	Confident	79.6	Confident	0 Å²	0	80.5 Å²	80.5	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-61.6	-45.1	177	-176.8	0	0	0	0	110.6	V83 P85 K90 I91 A92 L104 V110 F118	V83-V88 HydrophobicContact CG1-CG2 4.03Å; P85-V88 WeakPolarHBondContact O-CB 3.45Å; P85-V88 PolarHBondContact O-N 3.27Å; V88-K90 PolarHBondContact O-N 3.02Å; V88-I91 WeakPolarHBondContact O-CB 3.44Å; V88-I91 PolarHBondContact O-N 3.03Å; V88-A92 PolarHBondContact O-N 2.75Å; V88-L104 HydrophobicContact CG1-CD1 4.26Å; V88-L104 HydrophobicContact CG2-CD1 3.88Å; V88-L104 HydrophobicContact CG2-CD2 4.3Å; V88-V110 HydrophobicContact CG2-CG1 4.43Å; V88-V110 HydrophobicContact CG2-CG2 4Å; V88-F118 HydrophobicContact CG1-CB 4.05Å; V88-F118 HydrophobicContact CG1-CD2 4.13Å; V88-F118 HydrophobicContact CG1-CG 4.3Å
89	E	87	Confident	80.6	Confident	57 Å²	57	74 Å²	74	27%	0.266	32%	0.321	S	S	.	.	H	α-helix	trans	-59.7	-43.7	175.4	-67.9	171.8	-167.7	0	0	112.4	P85 V87 A92 Q93 C117	P85-E89 PolarHBondContact O-N 2.82Å; P85-E89 VanDerWaalsContact O-N 3.16Å; V87-E89 PolarHBondContact O-N 3.05Å; E89-A92 WeakPolarHBondContact O-CB 3.41Å; E89-A92 PolarHBondContact O-N 3.22Å; E89-Q93 VanDerWaalsContact O-CG 3.31Å; E89-Q93 WeakPolarHBondContact O-CG 3.45Å; E89-Q93 PolarHBondContact O-N 2.96Å; E89-C117 HydrophobicContact CG-CB 3.93Å
90	K	84.2	Confident	81.9	Confident	107 Å²	107	74.4 Å²	74.4	47%	0.465	32%	0.321	S	S	.	.	H	α-helix	trans	-65.7	-40.2	177.6	-77.6	171.6	-176.8	172.8	0	111.9	K86 V87 V88 A92 Q93 R94	K86-K90 WeakPolarHBondContact O-CB 3.49Å; K86-K90 WeakPolarHBondContact O-CD 3.21Å; K86-K90 WeakPolarHBondContact O-CG 3.22Å; K86-K90 PolarHBondContact O-N 2.93Å; K86-K90 VanDerWaalsContact O-N 3.14Å; V87-K90 PolarHBondContact O-N 3.34Å; V88-K90 PolarHBondContact O-N 3.02Å; K90-A92 VanDerWaalsContact C-N 3.28Å; K90-A92 PolarHBondContact O-N 3.49Å; K90-Q93 PolarHBondContact O-N 3.11Å; K90-R94 WeakPolarHBondContact O-CB 3.34Å; K90-R94 WeakPolarHBondContact O-CG 3.42Å; K90-R94 PolarHBondContact O-N 2.82Å
91	I	84.6	Confident	82.9	Confident	20 Å²	20	73.9 Å²	73.9	10%	0.103	32%	0.318	C	S	.	.	H	α-helix	trans	-58.6	-46	173.9	-74.5	164.2	0	0	0	109.9	I74 L76 V87 V88 Q93 R94 S95 L99	I74-I91 HydrophobicContact CD1-CB 4.47Å; I74-I91 HydrophobicContact CD1-CG1 4.39Å; I74-I91 HydrophobicContact CD1-CG2 3.37Å; I74-I91 HydrophobicContact CG2-CD1 4.26Å; L76-I91 HydrophobicContact CD1-CD1 3.68Å; V87-I91 HydrophobicContact CG1-CD1 3.96Å; V87-I91 WeakPolarHBondContact O-CG1 3.24Å; V87-I91 PolarHBondContact O-N 3.04Å; V88-I91 WeakPolarHBondContact O-CB 3.44Å; V88-I91 PolarHBondContact O-N 3.03Å; I91-Q93 PolarHBondContact O-N 3.48Å; I91-R94 PolarHBondContact O-N 3.27Å; I91-S95 WeakPolarHBondContact O-CB 3.49Å; I91-S95 PolarHBondContact O-N 3.2Å; I91-S95 PolarHBondContact O-OG 3.23Å; I91-L99 HydrophobicContact CG2-CD2 4.17Å
92	A	87.4	Confident	84	Confident	0 Å²	0	64.1 Å²	64.1	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-60.4	-46.2	177.7	0	0	0	0	0	112	V88 E89 K90 R94 R96 F118 L121	V88-A92 PolarHBondContact O-N 2.75Å; E89-A92 WeakPolarHBondContact O-CB 3.41Å; E89-A92 PolarHBondContact O-N 3.22Å; K90-A92 VanDerWaalsContact C-N 3.28Å; K90-A92 PolarHBondContact O-N 3.49Å; A92-R94 VanDerWaalsContact C-N 3.28Å; A92-R94 PolarHBondContact O-N 3.19Å; A92-R96 WeakPolarHBondContact O-CA 3.4Å; A92-R96 PolarHBondContact O-N 3.07Å; A92-F118 HydrophobicContact CB-CB 4.4Å; A92-F118 HydrophobicContact CB-CD2 3.91Å; A92-L121 HydrophobicContact CB-CB 4.11Å; A92-L121 HydrophobicContact CB-CD1 3.86Å
93	Q	85.4	Confident	85.1	Confident	106 Å²	106	60.3 Å²	60.3	50%	0.495	27%	0.266	S	S	.	.	H	α-helix	trans	-62.3	-32.8	178.7	-74.3	174.5	-0.2	0	0	113.8	E89 K90 I91 R96 L121	E89-Q93 VanDerWaalsContact O-CG 3.31Å; E89-Q93 WeakPolarHBondContact O-CG 3.45Å; E89-Q93 PolarHBondContact O-N 2.96Å; K90-Q93 PolarHBondContact O-N 3.11Å; I91-Q93 PolarHBondContact O-N 3.48Å; Q93-R96 VanDerWaalsContact O-CG 3.27Å; Q93-R96 WeakPolarHBondContact O-CG 3.31Å; Q93-R96 PolarHBondContact O-NE 3.41Å; Q93-L121 HydrophobicContact CG-CD1 3.92Å
94	R	80.4	Confident	85.9	Confident	132 Å²	132	60.1 Å²	60.1	50%	0.498	27%	0.265	S	S	.	.	H	α-helix	trans	-85.7	-43.9	-176.8	-66.2	-68.9	171.7	159.2	-1.9	112.3	Y62 K90 I91 A92	Y62-R94 PolarHBondContact OH-NH1 2.85Å; K90-R94 WeakPolarHBondContact O-CB 3.34Å; K90-R94 WeakPolarHBondContact O-CG 3.42Å; K90-R94 PolarHBondContact O-N 2.82Å; I91-R94 PolarHBondContact O-N 3.27Å; A92-R94 VanDerWaalsContact C-N 3.28Å; A92-R94 PolarHBondContact O-N 3.19Å
95	S	80.8	Confident	86.3	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-82.7	-33.7	-175.7	-40.7	0	0	0	0	111.7	I91 G97 F98	I91-S95 WeakPolarHBondContact O-CB 3.49Å; I91-S95 PolarHBondContact O-N 3.2Å; I91-S95 PolarHBondContact O-OG 3.23Å; S95-G97 PolarHBondContact O-N 3Å; S95-F98 WeakPolarHBondContact O-CB 3.3Å; S95-F98 PolarHBondContact O-N 2.88Å
96	R	77.9	Confident	86.5	Confident	166 Å²	166	57.9 Å²	57.9	63%	0.626	25%	0.254	S	S	*	.	G	3₁₀ helix	trans	43.7	-127.5	-177.7	-58.3	-174.9	178.5	-174.7	-5.2	111	A92 Q93 F98 L121	A92-R96 WeakPolarHBondContact O-CA 3.4Å; A92-R96 PolarHBondContact O-N 3.07Å; Q93-R96 VanDerWaalsContact O-CG 3.27Å; Q93-R96 WeakPolarHBondContact O-CG 3.31Å; Q93-R96 PolarHBondContact O-NE 3.41Å; R96-F98 PolarHBondContact O-N 3.33Å; R96-F98 VanDerWaalsContact O-N 3.13Å; R96-L121 CarbonylContact C-O 3.5Å
97	G	79.4	Confident	86.7	Confident	18 Å²	18	51 Å²	51	19%	0.186	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-70.8	3.1	179.8	0	0	0	0	0	116	S95 M124	S95-G97 PolarHBondContact O-N 3Å; G97-M124 WeakPolarHBondContact O-CB 3.27Å; G97-M124 WeakPolarHBondContact O-CG 3.34Å
98	F	84.2	Confident	86.7	Confident	121 Å²	121	56.2 Å²	56.2	53%	0.531	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-94.9	-18.3	179.2	-67	-77.6	0	0	0	114.3	G68 S95 R96 R100	G68-F98 WeakPolarHBondContact O-CB 3.38Å; S95-F98 WeakPolarHBondContact O-CB 3.3Å; S95-F98 PolarHBondContact O-N 2.88Å; R96-F98 PolarHBondContact O-N 3.33Å; R96-F98 VanDerWaalsContact O-N 3.13Å; F98-R100 PolarHBondContact O-N 2.91Å
99	L	89.6	Confident	86.8	Confident	0 Å²	0	59 Å²	59	0%	0	26%	0.255	C	S	.	.			trans	-72.3	120.5	-178.4	-169.9	66.4	0	0	0	110.3	W71 I74 I91 E101 L102 F118 M124 I125	W71-L99 WeakPolarHBondContact O-CD1 3.47Å; I74-L99 HydrophobicContact CB-CD1 4.32Å; I74-L99 HydrophobicContact CD1-CD1 3.7Å; I74-L99 HydrophobicContact CG1-CD1 3.89Å; I91-L99 HydrophobicContact CG2-CD2 4.17Å; L99-E101 VanDerWaalsContact CD1-O 3.28Å; L99-E101 WeakPolarHBondContact CD1-O 3.42Å; L99-L102 HydrophobicContact CD2-CB 4.19Å; L99-L102 HydrophobicContact CD2-CD2 4.47Å; L99-F118 HydrophobicContact CD2-CE2 3.46Å; L99-F118 VanDerWaalsContact CD2-CE2 3.46Å; L99-F118 HydrophobicContact CD2-CZ 3.86Å; L99-M124 CarbonylContact O-C 3.44Å; L99-I125 HydrophobicContact CD2-CD1 4.3Å; L99-I125 HydrophobicContact CG-CD1 4.01Å; L99-I125 PolarHBondContact O-N 2.85Å
100	R	92.8	Very high	86.9	Confident	93 Å²	93	56.3 Å²	56.3	35%	0.351	24%	0.242	S	C	.	.			trans	-109.6	-29.3	177.4	-63	-171.8	-172.2	-86.3	-4	112.4	K72 F98 I125 E126 S127	K72-R100 PolarHBondContact O-N 3.32Å; F98-R100 PolarHBondContact O-N 2.91Å; R100-I125 WeakPolarHBondContact O-CD1 3.5Å; R100-E126 IonicContact CZ-OE1 2.88Å; R100-E126 IonicContact NH1-OE1 2.65Å; R100-E126 PolarHBondContact NH1-OE1 3.19Å; R100-E126 WeakPolarHBondContact O-CA 3.36Å; R100-E126 PolarHBondContact O-N 3.18Å; R100-S127 PolarHBondContact O-N 3.11Å
101	E	94.2	Very high	87.4	Confident	48 Å²	48	53.3 Å²	53.3	22%	0.224	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	132.5	178.3	-177.9	179.9	-166.7	0	0	111.7	K72 S73 I74 L99 R103 S127	K72-E101 PolarHBondContact O-N 3.13Å; S73-E101 WeakPolarHBondContact CA-O 3.45Å; S73-E101 VanDerWaalsContact OG-CD 3.32Å; S73-E101 PolarHBondContact OG-OE2 3.21Å; I74-E101 PolarHBondContact N-O 3.33Å; L99-E101 VanDerWaalsContact CD1-O 3.28Å; L99-E101 WeakPolarHBondContact CD1-O 3.42Å; E101-R103 HydrophobicContact CG-CG 4.49Å; E101-R103 IonicContact OE1-CZ 3.93Å; E101-R103 IonicContact OE1-NE 2.91Å; E101-R103 PolarHBondContact OE1-NE 3.42Å; E101-R103 IonicContact OE1-NH2 3.16Å; E101-R103 PolarHBondContact OE1-NH2 2.85Å; E101-S127 VanDerWaalsContact CA-O 3.27Å; E101-S127 WeakPolarHBondContact CA-O 3.42Å
102	L	92.9	Very high	87.9	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	129.8	172.2	177.1	63.6	0	0	0	110.3	I74 L99 L104 F118 I125 S127 L128 D129	I74-L102 HydrophobicContact CB-CD1 3.83Å; I74-L102 HydrophobicContact CG2-CD1 3.7Å; I74-L102 CarbonylContact O-C 3.41Å; I74-L102 WeakPolarHBondContact O-CA 3.13Å; L99-L102 HydrophobicContact CD2-CB 4.19Å; L99-L102 HydrophobicContact CD2-CD2 4.47Å; L102-L104 HydrophobicContact CD1-CD2 4.08Å; L102-L104 HydrophobicContact CD1-CG 4.27Å; L102-L104 HydrophobicContact CD2-CD1 3.96Å; L102-L104 HydrophobicContact CD2-CG 4.11Å; L102-L104 HydrophobicContact CG-CD1 4.39Å; L102-L104 HydrophobicContact CG-CD2 4.35Å; L102-L104 HydrophobicContact CG-CG 3.99Å; L102-F118 HydrophobicContact CB-CZ 4.34Å; L102-F118 HydrophobicContact CD2-CD2 3.96Å; L102-F118 HydrophobicContact CD2-CE1 4.36Å; L102-F118 HydrophobicContact CD2-CE2 3.33Å; L102-F118 HydrophobicContact CD2-CZ 3.56Å; L102-I125 HydrophobicContact CB-CD1 4.12Å; L102-S127 PolarHBondContact N-O 3.24Å; L102-L128 HydrophobicContact CB-CD1 3.8Å; L102-L128 HydrophobicContact CD2-CD1 4.04Å; L102-L128 HydrophobicContact CG-CD1 4.07Å; L102-L128 WeakPolarHBondContact O-CA 3.37Å; L102-D129 PolarHBondContact O-N 3.3Å
103	R	91.4	Very high	88.2	Confident	93 Å²	93	58.6 Å²	58.6	35%	0.351	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	117.9	174.2	-53.3	-172.2	175.1	-112	1.4	111.3	I74 N75 L76 E101 D129	I74-R103 PolarHBondContact O-N 2.83Å; N75-R103 HydrophobicContact CB-CB 4.37Å; L76-R103 PolarHBondContact N-O 3.24Å; E101-R103 HydrophobicContact CG-CG 4.49Å; E101-R103 IonicContact OE1-CZ 3.93Å; E101-R103 IonicContact OE1-NE 2.91Å; E101-R103 PolarHBondContact OE1-NE 3.42Å; E101-R103 IonicContact OE1-NH2 3.16Å; E101-R103 PolarHBondContact OE1-NH2 2.85Å; R103-D129 HydrophobicContact CB-CB 4.09Å; R103-D129 HydrophobicContact CG-CB 3.92Å; R103-D129 IonicContact NH1-OD2 3.86Å; R103-D129 PolarHBondContact NH1-OD2 3.28Å
104	L	90.9	Very high	88.6	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	23%	0.234	C	C	.	.			trans	-119.8	21.9	177.4	-60	178.3	0	0	0	111.6	L76 V83 V88 L102 G106 C107 V110 D129 L130 C133	L76-L104 HydrophobicContact CB-CD2 4.3Å; L76-L104 HydrophobicContact CD1-CD2 3.63Å; L76-L104 HydrophobicContact CG-CD2 4.21Å; V83-L104 HydrophobicContact CG1-CD2 4.46Å; V88-L104 HydrophobicContact CG1-CD1 4.26Å; V88-L104 HydrophobicContact CG2-CD1 3.88Å; V88-L104 HydrophobicContact CG2-CD2 4.3Å; L102-L104 HydrophobicContact CD1-CD2 4.08Å; L102-L104 HydrophobicContact CD1-CG 4.27Å; L102-L104 HydrophobicContact CD2-CD1 3.96Å; L102-L104 HydrophobicContact CD2-CG 4.11Å; L102-L104 HydrophobicContact CG-CD1 4.39Å; L102-L104 HydrophobicContact CG-CD2 4.35Å; L102-L104 HydrophobicContact CG-CG 3.99Å; L104-G106 PolarHBondContact O-N 2.85Å; L104-C107 HydrophobicContact CB-CB 4.18Å; L104-C107 WeakPolarHBondContact O-CB 3.36Å; L104-C107 PolarHBondContact O-N 2.83Å; L104-C107 PolarHBondContact O-SG 2.85Å; L104-V110 HydrophobicContact CD1-CG1 4.32Å; L104-V110 HydrophobicContact CD1-CG2 4.39Å; L104-D129 PolarHBondContact N-O 3.42Å; L104-L130 HydrophobicContact CB-CD2 4.14Å; L104-L130 HydrophobicContact CD1-CD2 3.94Å; L104-L130 HydrophobicContact CG-CD2 4.45Å; L104-C133 PolarHBondContact O-SG 2.88Å
105	K	90.1	Very high	89.4	Confident	68 Å²	68	47.2 Å²	47.2	30%	0.296	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.1	126.4	179.5	176.9	158.5	-175.5	150.4	0	111.8	F77 Q80 C107 S131 E157	F77-K105 HydrophobicContact CD2-CB 4.14Å; F77-K105 HydrophobicContact CD2-CD 4.48Å; F77-K105 HydrophobicContact CD2-CG 4.11Å; F77-K105 HydrophobicContact CE2-CD 4.3Å; F77-K105 HydrophobicContact CE2-CG 4.12Å; Q80-K105 WeakPolarHBondContact CG-O 3.49Å; Q80-K105 PolarHBondContact NE2-O 2.57Å; K105-C107 VanDerWaalsContact C-N 3.28Å; K105-C107 PolarHBondContact O-N 3.27Å; K105-S131 CarbonylContact C-O 3.52Å; K105-S131 VanDerWaalsContact CA-O 3.28Å; K105-S131 WeakPolarHBondContact CA-O 3.49Å; K105-E157 IonicContact NZ-OE2 3.26Å; K105-E157 PolarHBondContact NZ-OE2 2.75Å
106	G	88	Confident	90.1	Very high	11 Å²	11	51 Å²	51	11%	0.113	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.9	1.6	179.7	0	0	0	0	0	115.1	Q80 L104 R108 S131	Q80-G106 WeakPolarHBondContact CB-O 3.29Å; L104-G106 PolarHBondContact O-N 2.85Å; G106-R108 VanDerWaalsContact C-N 3.31Å; G106-R108 WeakPolarHBondContact O-CG 3.44Å; G106-R108 PolarHBondContact O-N 3.18Å; G106-S131 PolarHBondContact N-O 2.89Å
107	C	87.9	Confident	90.8	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	21%	0.212	C	C	.	.			trans	-72.9	81.8	-178.6	-63.2	0	0	0	0	111.4	Q80 V83 L104 K105 N109 V110 C133	Q80-C107 WeakPolarHBondContact O-CA 3.4Å; V83-C107 HydrophobicContact CB-CB 4.24Å; V83-C107 HydrophobicContact CG1-CB 4.43Å; L104-C107 HydrophobicContact CB-CB 4.18Å; L104-C107 WeakPolarHBondContact O-CB 3.36Å; L104-C107 PolarHBondContact O-N 2.83Å; L104-C107 PolarHBondContact O-SG 2.85Å; K105-C107 VanDerWaalsContact C-N 3.28Å; K105-C107 PolarHBondContact O-N 3.27Å; C107-N109 VanDerWaalsContact C-N 3.25Å; C107-N109 PolarHBondContact O-N 3.36Å; C107-V110 HydrophobicContact CB-CB 4.45Å; C107-V110 HydrophobicContact CB-CG2 3.56Å; C107-V110 WeakPolarHBondContact O-CB 3.22Å; C107-V110 PolarHBondContact O-N 3.4Å; C107-C133 PolarHBondContact O-SG 3.31Å
108	R	86.2	Confident	91.6	Very high	140 Å²	140	44.4 Å²	44.4	53%	0.528	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-23.9	-172.5	-62.1	-177.4	-172.7	172.2	-1.6	114.4	G106 V110 N135	G106-R108 VanDerWaalsContact C-N 3.31Å; G106-R108 WeakPolarHBondContact O-CG 3.44Å; G106-R108 PolarHBondContact O-N 3.18Å; R108-V110 VanDerWaalsContact C-N 3.32Å; R108-N135 PolarHBondContact O-ND2 3.44Å
109	N	87.5	Confident	92.1	Very high	59 Å²	59	38.7 Å²	38.7	32%	0.316	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-6.7	-179.2	-64.9	-27.8	0	0	0	113.4	R81 V83 Q84 P85 C107	R81-N109 PolarHBondContact O-ND2 3.46Å; V83-N109 WeakPolarHBondContact O-CB 3.49Å; Q84-N109 PolarHBondContact NE2-ND2 3.31Å; P85-N109 WeakPolarHBondContact CD-O 3.45Å; P85-N109 VanDerWaalsContact CG-O 3.3Å; P85-N109 WeakPolarHBondContact CG-O 3.31Å; C107-N109 VanDerWaalsContact C-N 3.25Å; C107-N109 PolarHBondContact O-N 3.36Å
110	V	90.4	Very high	92.3	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	20%	0.203	C	C	.	.			trans	-73.4	132.7	178.2	179	0	0	0	0	109.1	V83 V88 L104 C107 R108 A114 L115 L136	V83-V110 HydrophobicContact CG1-CG2 4.03Å; V88-V110 HydrophobicContact CG2-CG1 4.43Å; V88-V110 HydrophobicContact CG2-CG2 4Å; L104-V110 HydrophobicContact CD1-CG1 4.32Å; L104-V110 HydrophobicContact CD1-CG2 4.39Å; C107-V110 HydrophobicContact CB-CB 4.45Å; C107-V110 HydrophobicContact CB-CG2 3.56Å; C107-V110 WeakPolarHBondContact O-CB 3.22Å; C107-V110 PolarHBondContact O-N 3.4Å; R108-V110 VanDerWaalsContact C-N 3.32Å; V110-A114 HydrophobicContact CG1-CB 4.37Å; V110-L115 HydrophobicContact CG1-CD2 3.13Å; V110-L136 HydrophobicContact CG1-CD2 4.23Å
111	T	93.5	Very high	92.3	Very high	45 Å²	45	42.9 Å²	42.9	28%	0.276	20%	0.203	S	C	.	.			trans	-119	165.7	-175.6	63.2	0	0	0	0	111.3	E113 A114 L115	T111-E113 VanDerWaalsContact C-N 3.25Å; T111-E113 PolarHBondContact O-N 3.34Å; T111-A114 WeakPolarHBondContact O-CB 3.31Å; T111-A114 PolarHBondContact O-N 3.11Å; T111-A114 VanDerWaalsContact O-N 3.1Å; T111-L115 PolarHBondContact O-N 3.02Å
112	D	95.7	Very high	92.2	Very high	15 Å²	15	40.6 Å²	40.6	8%	0.08	19%	0.192	C	C	.	.	H	α-helix	trans	-56.2	-38.4	175.9	-70.4	-13.2	0	0	0	112.4	A114 L115 K116 L136 T137 T140 Y143	D112-A114 PolarHBondContact O-N 3.09Å; D112-L115 CarbonylContact O-C 3.53Å; D112-L115 PolarHBondContact O-N 3.15Å; D112-K116 WeakPolarHBondContact O-CB 3.38Å; D112-K116 PolarHBondContact O-N 3.31Å; D112-L136 VanDerWaalsContact OD1-CA 3.31Å; D112-L136 WeakPolarHBondContact OD1-CA 3.37Å; D112-T137 PolarHBondContact OD1-N 3.14Å; D112-T137 WeakPolarHBondContact OD2-CB 3.4Å; D112-T137 PolarHBondContact OD2-N 2.54Å; D112-T137 PolarHBondContact OD2-OG1 3.35Å; D112-T140 WeakPolarHBondContact OD1-CB 3.32Å; D112-T140 PolarHBondContact OD1-N 3Å; D112-T140 PolarHBondContact OD1-OG1 3.36Å; D112-Y143 HydrophobicContact CB-CE2 4.24Å
113	E	94.4	Very high	92.1	Very high	115 Å²	115	45.6 Å²	45.6	54%	0.537	22%	0.216	S	C	.	.	H	α-helix	trans	-62.3	-39.5	176.3	-82.4	55.5	-136.3	0	0	112.7	T111 L115 K116 C117	T111-E113 VanDerWaalsContact C-N 3.25Å; T111-E113 PolarHBondContact O-N 3.34Å; E113-L115 VanDerWaalsContact C-N 3.3Å; E113-L115 PolarHBondContact O-N 3.48Å; E113-K116 WeakPolarHBondContact O-CB 3.45Å; E113-K116 PolarHBondContact O-N 2.98Å; E113-C117 PolarHBondContact O-N 2.92Å; E113-C117 VanDerWaalsContact O-N 3.13Å; E113-C117 PolarHBondContact O-SG 3.18Å
114	A	93.3	Very high	92.2	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-63.8	-41.5	175.6	0	0	0	0	0	110.5	P85 V110 T111 D112 F118	P85-A114 HydrophobicContact CB-CB 3.88Å; V110-A114 HydrophobicContact CG1-CB 4.37Å; T111-A114 WeakPolarHBondContact O-CB 3.31Å; T111-A114 PolarHBondContact O-N 3.11Å; T111-A114 VanDerWaalsContact O-N 3.1Å; D112-A114 PolarHBondContact O-N 3.09Å; A114-F118 WeakPolarHBondContact O-CB 3.32Å; A114-F118 PolarHBondContact O-N 3.04Å
115	L	95.7	Very high	92.4	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-70.7	-33.5	177.2	-90.1	-60.3	0	0	0	112.3	V110 T111 D112 E113 F118 T119 L128 L130 L136 T140	V110-L115 HydrophobicContact CG1-CD2 3.13Å; T111-L115 PolarHBondContact O-N 3.02Å; D112-L115 CarbonylContact O-C 3.53Å; D112-L115 PolarHBondContact O-N 3.15Å; E113-L115 VanDerWaalsContact C-N 3.3Å; E113-L115 PolarHBondContact O-N 3.48Å; L115-F118 HydrophobicContact CD1-CD1 3.97Å; L115-F118 HydrophobicContact CD1-CG 4.46Å; L115-F118 WeakPolarHBondContact O-CB 3.4Å; L115-F118 PolarHBondContact O-N 2.9Å; L115-T119 WeakPolarHBondContact O-CB 3.46Å; L115-T119 VanDerWaalsContact O-CG2 3.23Å; L115-T119 WeakPolarHBondContact O-CG2 3.43Å; L115-T119 PolarHBondContact O-N 2.85Å; L115-T119 PolarHBondContact O-OG1 2.81Å; L115-T119 VanDerWaalsContact O-OG1 3.09Å; L115-L128 HydrophobicContact CD1-CD2 4.46Å; L115-L130 HydrophobicContact CD1-CD1 4.33Å; L115-L130 HydrophobicContact CD1-CD2 4.23Å; L115-L136 HydrophobicContact CD2-CD2 3.95Å; L115-L136 HydrophobicContact CG-CD2 4.45Å; L115-T140 HydrophobicContact CB-CG2 4.21Å; L115-T140 HydrophobicContact CG-CG2 4.01Å
116	K	96.1	Very high	92.7	Very high	79 Å²	79	43.6 Å²	43.6	34%	0.343	21%	0.212	S	C	.	.	H	α-helix	trans	-57	-57.8	172	-176.8	-174.4	174.9	-175.8	0	110.4	D112 E113 F118 T119 E120 Y143	D112-K116 WeakPolarHBondContact O-CB 3.38Å; D112-K116 PolarHBondContact O-N 3.31Å; E113-K116 WeakPolarHBondContact O-CB 3.45Å; E113-K116 PolarHBondContact O-N 2.98Å; K116-F118 PolarHBondContact O-N 3.42Å; K116-T119 PolarHBondContact O-N 3.16Å; K116-T119 PolarHBondContact O-OG1 3.01Å; K116-E120 WeakPolarHBondContact CE-OE1 3.34Å; K116-E120 WeakPolarHBondContact O-CG 3.17Å; K116-E120 PolarHBondContact O-N 3.2Å; K116-E120 VanDerWaalsContact O-N 3.07Å; K116-Y143 HydrophobicContact CB-CD1 4.2Å; K116-Y143 HydrophobicContact CB-CD2 3.76Å; K116-Y143 HydrophobicContact CB-CE1 4.13Å; K116-Y143 HydrophobicContact CB-CE2 3.68Å; K116-Y143 HydrophobicContact CB-CG 4.04Å; K116-Y143 HydrophobicContact CD-CD1 4.49Å; K116-Y143 HydrophobicContact CD-CE1 3.83Å; K116-Y143 HydrophobicContact CD-CE2 4.44Å; K116-Y143 HydrophobicContact CG-CD1 3.89Å; K116-Y143 HydrophobicContact CG-CD2 4.35Å; K116-Y143 HydrophobicContact CG-CE1 3.71Å; K116-Y143 HydrophobicContact CG-CE2 4.2Å; K116-Y143 HydrophobicContact CG-CG 4.22Å
117	C	93.7	Very high	93.2	Very high	46 Å²	46	44 Å²	44	31%	0.311	21%	0.213	S	C	.	.	H	α-helix	trans	-56.7	-38.9	177.9	-68.1	0	0	0	0	112.1	E89 E113 L121	E89-C117 HydrophobicContact CG-CB 3.93Å; E113-C117 PolarHBondContact O-N 2.92Å; E113-C117 VanDerWaalsContact O-N 3.13Å; E113-C117 PolarHBondContact O-SG 3.18Å; C117-L121 WeakPolarHBondContact O-CG 3.43Å
118	F	94.4	Very high	93.6	Very high	0 Å²	0	44 Å²	44	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-62.6	-53.6	176.6	171	-96	0	0	0	112.5	V88 A92 L99 L102 A114 L115 K116 E120 L121 C122 I125 L128	V88-F118 HydrophobicContact CG1-CB 4.05Å; V88-F118 HydrophobicContact CG1-CD2 4.13Å; V88-F118 HydrophobicContact CG1-CG 4.3Å; A92-F118 HydrophobicContact CB-CB 4.4Å; A92-F118 HydrophobicContact CB-CD2 3.91Å; L99-F118 HydrophobicContact CD2-CE2 3.46Å; L99-F118 VanDerWaalsContact CD2-CE2 3.46Å; L99-F118 HydrophobicContact CD2-CZ 3.86Å; L102-F118 HydrophobicContact CB-CZ 4.34Å; L102-F118 HydrophobicContact CD2-CD2 3.96Å; L102-F118 HydrophobicContact CD2-CE1 4.36Å; L102-F118 HydrophobicContact CD2-CE2 3.33Å; L102-F118 HydrophobicContact CD2-CZ 3.56Å; A114-F118 WeakPolarHBondContact O-CB 3.32Å; A114-F118 PolarHBondContact O-N 3.04Å; L115-F118 HydrophobicContact CD1-CD1 3.97Å; L115-F118 HydrophobicContact CD1-CG 4.46Å; L115-F118 WeakPolarHBondContact O-CB 3.4Å; L115-F118 PolarHBondContact O-N 2.9Å; K116-F118 PolarHBondContact O-N 3.42Å; F118-E120 VanDerWaalsContact C-N 3.27Å; F118-E120 PolarHBondContact O-N 2.6Å; F118-L121 PolarHBondContact O-N 2.97Å; F118-L121 VanDerWaalsContact O-N 3.08Å; F118-C122 HydrophobicContact CD2-CB 4.29Å; F118-C122 HydrophobicContact CE1-CB 4.21Å; F118-C122 HydrophobicContact CE2-CB 3.84Å; F118-C122 HydrophobicContact CZ-CB 3.8Å; F118-C122 WeakPolarHBondContact O-CB 3.27Å; F118-C122 PolarHBondContact O-N 2.76Å; F118-I125 HydrophobicContact CE1-CG1 4.48Å; F118-I125 HydrophobicContact CZ-CD1 4.03Å; F118-I125 HydrophobicContact CZ-CG1 4.26Å; F118-L128 HydrophobicContact CE1-CD1 4.37Å
119	T	95	Very high	94.1	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.006	19%	0.193	C	C	.	.	H	α-helix	trans	-66.7	-28.8	-175.7	60.5	0	0	0	0	112.4	L115 K116 L121 L144 N147	L115-T119 WeakPolarHBondContact O-CB 3.46Å; L115-T119 VanDerWaalsContact O-CG2 3.23Å; L115-T119 WeakPolarHBondContact O-CG2 3.43Å; L115-T119 PolarHBondContact O-N 2.85Å; L115-T119 PolarHBondContact O-OG1 2.81Å; L115-T119 VanDerWaalsContact O-OG1 3.09Å; K116-T119 PolarHBondContact O-N 3.16Å; K116-T119 PolarHBondContact O-OG1 3.01Å; T119-L121 VanDerWaalsContact C-N 3.26Å; T119-L121 PolarHBondContact O-N 2.9Å; T119-L144 HydrophobicContact CG2-CD2 3.72Å; T119-L144 HydrophobicContact CG2-CG 4.32Å; T119-N147 WeakPolarHBondContact O-CB 3.31Å; T119-N147 PolarHBondContact OG1-ND2 2.94Å; T119-N147 VanDerWaalsContact OG1-ND2 3.15Å
120	E	94.4	Very high	94.6	Very high	114 Å²	114	35.4 Å²	35.4	53%	0.533	18%	0.178	S	C	.	.	H	α-helix	trans	-67	-23.5	173.7	-73.1	174.1	179.3	0	0	113.2	K116 F118	K116-E120 WeakPolarHBondContact CE-OE1 3.34Å; K116-E120 WeakPolarHBondContact O-CG 3.17Å; K116-E120 PolarHBondContact O-N 3.2Å; K116-E120 VanDerWaalsContact O-N 3.07Å; F118-E120 VanDerWaalsContact C-N 3.27Å; F118-E120 PolarHBondContact O-N 2.6Å
121	L	92.8	Very high	94.9	Very high	67 Å²	67	35.6 Å²	35.6	35%	0.351	18%	0.179	S	C	.	.	H	α-helix	trans	-106.4	-31.4	-177.5	-64.3	175.2	0	0	0	113.7	A92 Q93 R96 C117 F118 T119	A92-L121 HydrophobicContact CB-CB 4.11Å; A92-L121 HydrophobicContact CB-CD1 3.86Å; Q93-L121 HydrophobicContact CG-CD1 3.92Å; R96-L121 CarbonylContact C-O 3.5Å; C117-L121 WeakPolarHBondContact O-CG 3.43Å; F118-L121 PolarHBondContact O-N 2.97Å; F118-L121 VanDerWaalsContact O-N 3.08Å; T119-L121 VanDerWaalsContact C-N 3.26Å; T119-L121 PolarHBondContact O-N 2.9Å
122	C	91.7	Very high	94.8	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.173	C	C	.	.			trans	-107	60	-172.1	-64.3	0	0	0	0	112.1	F118 M124 I125	F118-C122 HydrophobicContact CD2-CB 4.29Å; F118-C122 HydrophobicContact CE1-CB 4.21Å; F118-C122 HydrophobicContact CE2-CB 3.84Å; F118-C122 HydrophobicContact CZ-CB 3.8Å; F118-C122 WeakPolarHBondContact O-CB 3.27Å; F118-C122 PolarHBondContact O-N 2.76Å; C122-M124 PolarHBondContact O-N 3.45Å; C122-I125 WeakPolarHBondContact O-CG2 3.37Å; C122-I125 PolarHBondContact O-N 2.85Å
123	H	92	Very high	94.7	Very high	105 Å²	105	33.4 Å²	33.4	49%	0.486	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-10.8	-177.1	64.1	83.2	0	0	0	114.6
124	M	92.7	Very high	94.4	Very high	51 Å²	51	32.3 Å²	32.3	25%	0.251	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.1	11.5	178.7	-61.8	-167.3	56	0	0	113.8	G97 L99 C122 E126	G97-M124 WeakPolarHBondContact O-CB 3.27Å; G97-M124 WeakPolarHBondContact O-CG 3.34Å; L99-M124 CarbonylContact O-C 3.44Å; C122-M124 PolarHBondContact O-N 3.45Å; M124-E126 PolarHBondContact O-N 3.37Å
125	I	95.1	Very high	94.4	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.18	C	C	.	.			trans	-64.2	128.3	177.5	-164.5	73.2	0	0	0	110.1	L99 R100 L102 F118 C122 L128 C148 L150 L151	L99-I125 HydrophobicContact CD2-CD1 4.3Å; L99-I125 HydrophobicContact CG-CD1 4.01Å; L99-I125 PolarHBondContact O-N 2.85Å; R100-I125 WeakPolarHBondContact O-CD1 3.5Å; L102-I125 HydrophobicContact CB-CD1 4.12Å; F118-I125 HydrophobicContact CE1-CG1 4.48Å; F118-I125 HydrophobicContact CZ-CD1 4.03Å; F118-I125 HydrophobicContact CZ-CG1 4.26Å; C122-I125 WeakPolarHBondContact O-CG2 3.37Å; C122-I125 PolarHBondContact O-N 2.85Å; I125-L128 HydrophobicContact CG1-CB 4.44Å; I125-C148 HydrophobicContact CG2-CB 3.76Å; I125-C148 VanDerWaalsContact CG2-SG 3.54Å; I125-L150 CarbonylContact O-C 3.47Å; I125-L151 HydrophobicContact CG1-CD1 4.5Å; I125-L151 HydrophobicContact CG2-CD1 4.27Å; I125-L151 PolarHBondContact O-N 3.01Å
126	E	97.2	Very high	94.4	Very high	67 Å²	67	35.3 Å²	35.3	31%	0.313	18%	0.18	S	C	.	.			trans	-109.7	-32.1	-180	-69.7	170.1	-165.8	0	0	111.1	R100 M124 T152 T153	R100-E126 IonicContact CZ-OE1 2.88Å; R100-E126 IonicContact NH1-OE1 2.65Å; R100-E126 PolarHBondContact NH1-OE1 3.19Å; R100-E126 WeakPolarHBondContact O-CA 3.36Å; R100-E126 PolarHBondContact O-N 3.18Å; M124-E126 PolarHBondContact O-N 3.37Å; E126-T152 PolarHBondContact O-N 3.2Å; E126-T152 PolarHBondContact O-OG1 2.73Å; E126-T153 PolarHBondContact O-N 3.15Å
127	S	97.8	Very high	94.4	Very high	20 Å²	20	33.8 Å²	33.8	14%	0.14	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	126.9	-178.2	179.4	0	0	0	0	111.4	R100 E101 L102 T153	R100-S127 PolarHBondContact O-N 3.11Å; E101-S127 VanDerWaalsContact CA-O 3.27Å; E101-S127 WeakPolarHBondContact CA-O 3.42Å; L102-S127 PolarHBondContact N-O 3.24Å; S127-T153 WeakPolarHBondContact CA-O 3.43Å
128	L	97.2	Very high	94.6	Very high	1 Å²	1	33 Å²	33	1%	0.005	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	126	-179.8	-173.2	63.3	0	0	0	110.9	L102 L115 F118 I125 L130 L144 L151 T153 L154 S155	L102-L128 HydrophobicContact CB-CD1 3.8Å; L102-L128 HydrophobicContact CD2-CD1 4.04Å; L102-L128 HydrophobicContact CG-CD1 4.07Å; L102-L128 WeakPolarHBondContact O-CA 3.37Å; L115-L128 HydrophobicContact CD1-CD2 4.46Å; F118-L128 HydrophobicContact CE1-CD1 4.37Å; I125-L128 HydrophobicContact CG1-CB 4.44Å; L128-L130 HydrophobicContact CD1-CD2 4.12Å; L128-L130 HydrophobicContact CD1-CG 4.39Å; L128-L130 HydrophobicContact CD2-CD1 3.78Å; L128-L130 HydrophobicContact CD2-CD2 4.41Å; L128-L130 HydrophobicContact CD2-CG 4.12Å; L128-L130 HydrophobicContact CG-CD1 4.12Å; L128-L130 HydrophobicContact CG-CD2 4.16Å; L128-L130 HydrophobicContact CG-CG 3.89Å; L128-L144 HydrophobicContact CD2-CD1 4.31Å; L128-L144 HydrophobicContact CD2-CD2 3.53Å; L128-L151 HydrophobicContact CB-CD1 3.94Å; L128-T153 PolarHBondContact N-O 2.91Å; L128-L154 HydrophobicContact CB-CD1 4.03Å; L128-L154 HydrophobicContact CD2-CD1 4.22Å; L128-L154 HydrophobicContact CG-CD1 4.25Å; L128-L154 WeakPolarHBondContact O-CA 3.42Å; L128-S155 PolarHBondContact O-N 3.05Å
129	D	96.7	Very high	94.8	Very high	18 Å²	18	34 Å²	34	10%	0.096	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	110.2	177.7	-179.1	-14	0	0	0	109.3	L102 R103 L104 S131	L102-D129 PolarHBondContact O-N 3.3Å; R103-D129 HydrophobicContact CB-CB 4.09Å; R103-D129 HydrophobicContact CG-CB 3.92Å; R103-D129 IonicContact NH1-OD2 3.86Å; R103-D129 PolarHBondContact NH1-OD2 3.28Å; L104-D129 PolarHBondContact N-O 3.42Å; D129-S131 WeakPolarHBondContact OD1-CB 3.24Å; D129-S131 PolarHBondContact OD1-N 2.78Å; D129-S131 VanDerWaalsContact OD1-N 3.13Å; D129-S131 PolarHBondContact OD1-OG 2.94Å
130	L	96.6	Very high	94.9	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.18	C	C	.	.			trans	-116.7	17.8	-179.7	-58.6	172.1	0	0	0	111.4	L104 L115 L128 G132 C133 L136 T140 L154 S155 L156 C159	L104-L130 HydrophobicContact CB-CD2 4.14Å; L104-L130 HydrophobicContact CD1-CD2 3.94Å; L104-L130 HydrophobicContact CG-CD2 4.45Å; L115-L130 HydrophobicContact CD1-CD1 4.33Å; L115-L130 HydrophobicContact CD1-CD2 4.23Å; L128-L130 HydrophobicContact CD1-CD2 4.12Å; L128-L130 HydrophobicContact CD1-CG 4.39Å; L128-L130 HydrophobicContact CD2-CD1 3.78Å; L128-L130 HydrophobicContact CD2-CD2 4.41Å; L128-L130 HydrophobicContact CD2-CG 4.12Å; L128-L130 HydrophobicContact CG-CD1 4.12Å; L128-L130 HydrophobicContact CG-CD2 4.16Å; L128-L130 HydrophobicContact CG-CG 3.89Å; L130-G132 PolarHBondContact O-N 3.33Å; L130-C133 VanDerWaalsContact O-CB 3.25Å; L130-C133 WeakPolarHBondContact O-CB 3.32Å; L130-C133 PolarHBondContact O-N 2.76Å; L130-C133 VanDerWaalsContact O-N 3.09Å; L130-C133 PolarHBondContact O-SG 3.01Å; L130-L136 HydrophobicContact CB-CD1 3.89Å; L130-L136 HydrophobicContact CD1-CD1 3.86Å; L130-L136 HydrophobicContact CD2-CD1 4.35Å; L130-L136 HydrophobicContact CG-CD1 4.24Å; L130-T140 HydrophobicContact CD1-CG2 4.03Å; L130-L154 HydrophobicContact CD1-CD1 4.45Å; L130-S155 PolarHBondContact N-O 3.29Å; L130-L156 HydrophobicContact CB-CD2 4.15Å; L130-L156 HydrophobicContact CD1-CD2 3.96Å; L130-C159 PolarHBondContact O-SG 3.22Å; L130-C159 VanDerWaalsContact O-SG 3.36Å
131	S	96.1	Very high	95.1	Very high	3 Å²	3	28.6 Å²	28.6	2%	0.021	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	131.1	-175.4	-59.3	0	0	0	0	111.5	K105 G106 D129 C133 S155 E157	K105-S131 CarbonylContact C-O 3.52Å; K105-S131 VanDerWaalsContact CA-O 3.28Å; K105-S131 WeakPolarHBondContact CA-O 3.49Å; G106-S131 PolarHBondContact N-O 2.89Å; D129-S131 WeakPolarHBondContact OD1-CB 3.24Å; D129-S131 PolarHBondContact OD1-N 2.78Å; D129-S131 VanDerWaalsContact OD1-N 3.13Å; D129-S131 PolarHBondContact OD1-OG 2.94Å; S131-C133 PolarHBondContact O-N 3.09Å; S131-S155 PolarHBondContact OG-OG 2.99Å; S131-E157 CarbonylContact C-O 3.57Å; S131-E157 VanDerWaalsContact CA-O 3.23Å; S131-E157 WeakPolarHBondContact CA-O 3.31Å; S131-E157 WeakPolarHBondContact OG-CB 3.5Å; S131-E157 PolarHBondContact OG-OE2 2.99Å
132	G	92.7	Very high	95.3	Very high	15 Å²	15	26.5 Å²	26.5	16%	0.155	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	72	11.9	177.3	0	0	0	0	0	114.8	L130 Q134 E157	L130-G132 PolarHBondContact O-N 3.33Å; G132-Q134 VanDerWaalsContact C-N 3.31Å; G132-Q134 PolarHBondContact O-N 2.98Å; G132-E157 PolarHBondContact N-O 3.01Å
133	C	92.8	Very high	95.6	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.155	C	C	.	.			trans	-76.1	82.9	168	-70.3	0	0	0	0	110.1	L104 C107 L130 S131 N135 L136 C159	L104-C133 PolarHBondContact O-SG 2.88Å; C107-C133 PolarHBondContact O-SG 3.31Å; L130-C133 VanDerWaalsContact O-CB 3.25Å; L130-C133 WeakPolarHBondContact O-CB 3.32Å; L130-C133 PolarHBondContact O-N 2.76Å; L130-C133 VanDerWaalsContact O-N 3.09Å; L130-C133 PolarHBondContact O-SG 3.01Å; S131-C133 PolarHBondContact O-N 3.09Å; C133-N135 PolarHBondContact O-N 2.91Å; C133-N135 VanDerWaalsContact O-N 3.11Å; C133-L136 HydrophobicContact CB-CD1 3.44Å; C133-L136 VanDerWaalsContact CB-CD1 3.44Å; C133-L136 HydrophobicContact CB-CG 3.68Å; C133-L136 PolarHBondContact O-N 3.09Å; C133-C159 PolarHBondContact O-SG 3.39Å
134	Q	88.8	Confident	95.9	Very high	91 Å²	91	23.9 Å²	23.9	43%	0.425	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-14.5	-169.9	-67.4	173.6	-8.6	0	0	115.9	G132	G132-Q134 VanDerWaalsContact C-N 3.31Å; G132-Q134 PolarHBondContact O-N 2.98Å
135	N	91.9	Very high	96	Very high	64 Å²	64	22.1 Å²	22.1	34%	0.342	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.3	-5	-179.6	-80.1	-34.6	0	0	0	113.9	R108 C133	R108-N135 PolarHBondContact O-ND2 3.44Å; C133-N135 PolarHBondContact O-N 2.91Å; C133-N135 VanDerWaalsContact O-N 3.11Å
136	L	95.8	Very high	96.1	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.158	C	C	.	.			trans	-75.3	145.5	175.9	-56.4	-178	0	0	0	110.5	V110 D112 L115 L130 C133 T140 R161	V110-L136 HydrophobicContact CG1-CD2 4.23Å; D112-L136 VanDerWaalsContact OD1-CA 3.31Å; D112-L136 WeakPolarHBondContact OD1-CA 3.37Å; L115-L136 HydrophobicContact CD2-CD2 3.95Å; L115-L136 HydrophobicContact CG-CD2 4.45Å; L130-L136 HydrophobicContact CB-CD1 3.89Å; L130-L136 HydrophobicContact CD1-CD1 3.86Å; L130-L136 HydrophobicContact CD2-CD1 4.35Å; L130-L136 HydrophobicContact CG-CD1 4.24Å; C133-L136 HydrophobicContact CB-CD1 3.44Å; C133-L136 VanDerWaalsContact CB-CD1 3.44Å; C133-L136 HydrophobicContact CB-CG 3.68Å; C133-L136 PolarHBondContact O-N 3.09Å; L136-T140 HydrophobicContact CD1-CG2 4.41Å; L136-R161 WeakPolarHBondContact O-CB 3.06Å
137	T	97.5	Very high	96	Very high	47 Å²	47	28.7 Å²	28.7	29%	0.288	16%	0.157	S	C	.	.			trans	-126.6	-174.6	175.7	83.2	0	0	0	0	110.7	D112 G139 T140 R161	D112-T137 PolarHBondContact OD1-N 3.14Å; D112-T137 WeakPolarHBondContact OD2-CB 3.4Å; D112-T137 PolarHBondContact OD2-N 2.54Å; D112-T137 PolarHBondContact OD2-OG1 3.35Å; T137-G139 PolarHBondContact O-N 2.96Å; T137-G139 PolarHBondContact OG1-N 3Å; T137-G139 VanDerWaalsContact OG1-N 3.14Å; T137-T140 PolarHBondContact O-N 3.04Å; T137-R161 HydrophobicContact CG2-CB 4.31Å
138	N	98	Very high	95.9	Very high	29 Å²	29	27.7 Å²	27.7	16%	0.155	15%	0.15	C	C	.	.	H	α-helix	trans	-51.4	-23.2	169.9	-65	-22.3	0	0	0	113.6	T140 C141 S142 I162 D163 G166	N138-T140 VanDerWaalsContact C-N 3.32Å; N138-T140 PolarHBondContact O-N 3.42Å; N138-C141 WeakPolarHBondContact O-CB 3.42Å; N138-C141 PolarHBondContact O-N 3.27Å; N138-C141 VanDerWaalsContact O-N 3.12Å; N138-S142 PolarHBondContact O-N 2.7Å; N138-I162 WeakPolarHBondContact OD1-CA 3.44Å; N138-D163 VanDerWaalsContact ND2-CG 3.33Å; N138-D163 PolarHBondContact ND2-OD1 3.12Å; N138-D163 PolarHBondContact ND2-OD2 2.78Å; N138-D163 PolarHBondContact OD1-N 3.45Å; N138-D163 VanDerWaalsContact OD1-N 3.14Å; N138-D163 PolarHBondContact OD1-OD1 3.05Å; N138-G166 VanDerWaalsContact CG-N 3.32Å; N138-G166 WeakPolarHBondContact OD1-CA 3.43Å; N138-G166 PolarHBondContact OD1-N 3Å; N138-G166 VanDerWaalsContact OD1-N 3.16Å
139	G	97.9	Very high	95.7	Very high	21 Å²	21	31.2 Å²	31.2	22%	0.216	18%	0.175	C	C	.	.	H	α-helix	trans	-54	-45.5	172.7	0	0	0	0	0	112.7	T137 C141 S142 Y143	T137-G139 PolarHBondContact O-N 2.96Å; T137-G139 PolarHBondContact OG1-N 3Å; T137-G139 VanDerWaalsContact OG1-N 3.14Å; G139-C141 VanDerWaalsContact C-N 3.33Å; G139-C141 PolarHBondContact O-N 3.22Å; G139-S142 VanDerWaalsContact O-CB 3.23Å; G139-S142 WeakPolarHBondContact O-CB 3.42Å; G139-S142 PolarHBondContact O-N 3.34Å; G139-S142 VanDerWaalsContact O-N 3.12Å; G139-Y143 WeakPolarHBondContact O-CD2 3.45Å; G139-Y143 WeakPolarHBondContact O-CE2 3.44Å; G139-Y143 PolarHBondContact O-N 3.37Å; G139-Y143 VanDerWaalsContact O-N 3.11Å
140	T	97.4	Very high	95.6	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.006	19%	0.187	C	C	.	.	H	α-helix	trans	-58.8	-42.7	175.2	-73.6	0	0	0	0	112.1	D112 L115 L130 L136 T137 N138 S142 Y143 L144	D112-T140 WeakPolarHBondContact OD1-CB 3.32Å; D112-T140 PolarHBondContact OD1-N 3Å; D112-T140 PolarHBondContact OD1-OG1 3.36Å; L115-T140 HydrophobicContact CB-CG2 4.21Å; L115-T140 HydrophobicContact CG-CG2 4.01Å; L130-T140 HydrophobicContact CD1-CG2 4.03Å; L136-T140 HydrophobicContact CD1-CG2 4.41Å; T137-T140 PolarHBondContact O-N 3.04Å; N138-T140 VanDerWaalsContact C-N 3.32Å; N138-T140 PolarHBondContact O-N 3.42Å; T140-S142 VanDerWaalsContact C-N 3.3Å; T140-S142 PolarHBondContact O-N 3.21Å; T140-Y143 PolarHBondContact O-N 3.13Å; T140-L144 HydrophobicContact CG2-CD1 3.88Å; T140-L144 HydrophobicContact CG2-CG 4.33Å; T140-L144 WeakPolarHBondContact O-CG 3.32Å; T140-L144 PolarHBondContact O-N 3.46Å
141	C	97.9	Very high	95.7	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-63.3	-36.4	177.1	-64.2	0	0	0	0	112	N138 G139 G145 G166 M169 L170	N138-C141 WeakPolarHBondContact O-CB 3.42Å; N138-C141 PolarHBondContact O-N 3.27Å; N138-C141 VanDerWaalsContact O-N 3.12Å; G139-C141 VanDerWaalsContact C-N 3.33Å; G139-C141 PolarHBondContact O-N 3.22Å; C141-G145 PolarHBondContact O-N 2.93Å; C141-G166 WeakPolarHBondContact CB-O 3.31Å; C141-M169 HydrophobicContact CB-CB 4.35Å; C141-L170 HydrophobicContact CB-CB 4.28Å
142	S	97.7	Very high	95.8	Very high	24 Å²	24	35.8 Å²	35.8	17%	0.168	20%	0.2	C	C	.	.	H	α-helix	trans	-59.4	-46.5	172.6	-159	0	0	0	0	112.3	N138 G139 T140 K146 M169	N138-S142 PolarHBondContact O-N 2.7Å; G139-S142 VanDerWaalsContact O-CB 3.23Å; G139-S142 WeakPolarHBondContact O-CB 3.42Å; G139-S142 PolarHBondContact O-N 3.34Å; G139-S142 VanDerWaalsContact O-N 3.12Å; T140-S142 VanDerWaalsContact C-N 3.3Å; T140-S142 PolarHBondContact O-N 3.21Å; S142-K146 WeakPolarHBondContact O-CB 3.32Å; S142-K146 WeakPolarHBondContact O-CD 3.32Å; S142-K146 VanDerWaalsContact O-CG 3.26Å; S142-K146 WeakPolarHBondContact O-CG 3.42Å; S142-K146 PolarHBondContact O-N 3.5Å; S142-K146 VanDerWaalsContact O-N 3.13Å; S142-K146 PolarHBondContact OG-NZ 2.95Å; S142-M169 VanDerWaalsContact CB-SD 3.56Å
143	Y	97.6	Very high	96	Very high	50 Å²	50	37.2 Å²	37.2	20%	0.196	21%	0.206	C	C	.	.	H	α-helix	trans	-68.5	-42.4	-178.4	-57.6	-49	0	0	0	111.9	D112 K116 G139 T140 K146 N147	D112-Y143 HydrophobicContact CB-CE2 4.24Å; K116-Y143 HydrophobicContact CB-CD1 4.2Å; K116-Y143 HydrophobicContact CB-CD2 3.76Å; K116-Y143 HydrophobicContact CB-CE1 4.13Å; K116-Y143 HydrophobicContact CB-CE2 3.68Å; K116-Y143 HydrophobicContact CB-CG 4.04Å; K116-Y143 HydrophobicContact CD-CD1 4.49Å; K116-Y143 HydrophobicContact CD-CE1 3.83Å; K116-Y143 HydrophobicContact CD-CE2 4.44Å; K116-Y143 HydrophobicContact CG-CD1 3.89Å; K116-Y143 HydrophobicContact CG-CD2 4.35Å; K116-Y143 HydrophobicContact CG-CE1 3.71Å; K116-Y143 HydrophobicContact CG-CE2 4.2Å; K116-Y143 HydrophobicContact CG-CG 4.22Å; G139-Y143 WeakPolarHBondContact O-CD2 3.45Å; G139-Y143 WeakPolarHBondContact O-CE2 3.44Å; G139-Y143 PolarHBondContact O-N 3.37Å; G139-Y143 VanDerWaalsContact O-N 3.11Å; T140-Y143 PolarHBondContact O-N 3.13Å; Y143-K146 PolarHBondContact O-N 3.05Å; Y143-N147 WeakPolarHBondContact O-CB 3.31Å; Y143-N147 PolarHBondContact O-N 3.35Å
144	L	97.5	Very high	96.3	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-60.3	-51.2	174.4	-69.2	170.1	0	0	0	111.4	T119 L128 T140 K146 N147 C148 L151 L154 L170	T119-L144 HydrophobicContact CG2-CD2 3.72Å; T119-L144 HydrophobicContact CG2-CG 4.32Å; L128-L144 HydrophobicContact CD2-CD1 4.31Å; L128-L144 HydrophobicContact CD2-CD2 3.53Å; T140-L144 HydrophobicContact CG2-CD1 3.88Å; T140-L144 HydrophobicContact CG2-CG 4.33Å; T140-L144 WeakPolarHBondContact O-CG 3.32Å; T140-L144 PolarHBondContact O-N 3.46Å; L144-K146 PolarHBondContact O-N 2.8Å; L144-N147 PolarHBondContact O-N 3.2Å; L144-C148 HydrophobicContact CD2-CB 4.41Å; L144-C148 WeakPolarHBondContact O-CB 3.33Å; L144-C148 PolarHBondContact O-N 3.39Å; L144-L151 HydrophobicContact CD2-CD2 4.39Å; L144-L154 HydrophobicContact CD1-CD1 4.17Å; L144-L154 HydrophobicContact CD1-CD2 4.02Å; L144-L170 HydrophobicContact CB-CD1 4.32Å
145	G	96.1	Very high	96.8	Very high	13 Å²	13	33.8 Å²	33.8	13%	0.134	19%	0.192	C	C	.	.	H	α-helix	trans	-57.6	-33.2	179.5	0	0	0	0	0	113.8	C141 S172	C141-G145 PolarHBondContact O-N 2.93Å; G145-S172 WeakPolarHBondContact O-CB 3.31Å
146	K	96.1	Very high	97	Very high	150 Å²	150	30.8 Å²	30.8	65%	0.652	18%	0.176	S	C	*	.	H	α-helix	trans	-80.3	-40.1	179.6	-74.8	171.3	-178.4	167.4	0	113.8	S142 Y143 L144	S142-K146 WeakPolarHBondContact O-CB 3.32Å; S142-K146 WeakPolarHBondContact O-CD 3.32Å; S142-K146 VanDerWaalsContact O-CG 3.26Å; S142-K146 WeakPolarHBondContact O-CG 3.42Å; S142-K146 PolarHBondContact O-N 3.5Å; S142-K146 VanDerWaalsContact O-N 3.13Å; S142-K146 PolarHBondContact OG-NZ 2.95Å; Y143-K146 PolarHBondContact O-N 3.05Å; L144-K146 PolarHBondContact O-N 2.8Å
147	N	96	Very high	97.1	Very high	55 Å²	55	33.4 Å²	33.4	29%	0.294	19%	0.188	S	C	.	.	H	α-helix	trans	-112.7	-20.3	-163.3	-64.3	-26.2	0	0	0	114.3	T119 Y143 L144	T119-N147 WeakPolarHBondContact O-CB 3.31Å; T119-N147 PolarHBondContact OG1-ND2 2.94Å; T119-N147 VanDerWaalsContact OG1-ND2 3.15Å; Y143-N147 WeakPolarHBondContact O-CB 3.31Å; Y143-N147 PolarHBondContact O-N 3.35Å; L144-N147 PolarHBondContact O-N 3.2Å
148	C	95.1	Very high	97.1	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	19%	0.188	C	C	.	.			trans	-112.9	59.9	-169	-59.3	0	0	0	0	112.1	I125 L144 L150 L151	I125-C148 HydrophobicContact CG2-CB 3.76Å; I125-C148 VanDerWaalsContact CG2-SG 3.54Å; L144-C148 HydrophobicContact CD2-CB 4.41Å; L144-C148 WeakPolarHBondContact O-CB 3.33Å; L144-C148 PolarHBondContact O-N 3.39Å; C148-L150 PolarHBondContact O-N 3.02Å; C148-L151 HydrophobicContact CB-CB 4.23Å; C148-L151 VanDerWaalsContact O-CB 3.24Å; C148-L151 WeakPolarHBondContact O-CB 3.49Å; C148-L151 PolarHBondContact O-N 3.27Å; C148-L151 VanDerWaalsContact O-N 3.09Å
149	S	92.7	Very high	97	Very high	74 Å²	74	31.8 Å²	31.8	52%	0.517	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-18.2	-176.1	59.5	0	0	0	0	114.8	N175	S149-N175 PolarHBondContact O-ND2 2.94Å
150	L	95.6	Very high	96.8	Very high	70 Å²	70	34.1 Å²	34.1	37%	0.366	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	1.5	176.6	-62	-178.4	0	0	0	113.4	I125 C148 T152	I125-L150 CarbonylContact O-C 3.47Å; C148-L150 PolarHBondContact O-N 3.02Å; L150-T152 WeakPolarHBondContact O-CG2 3.42Å; L150-T152 PolarHBondContact O-N 3.4Å
151	L	97.6	Very high	96.8	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.219	C	C	.	.			trans	-64.2	119.7	-178.7	-168.7	68.9	0	0	0	110.1	I125 L128 L144 C148 T153 L154 N175 L176	I125-L151 HydrophobicContact CG1-CD1 4.5Å; I125-L151 HydrophobicContact CG2-CD1 4.27Å; I125-L151 PolarHBondContact O-N 3.01Å; L128-L151 HydrophobicContact CB-CD1 3.94Å; L144-L151 HydrophobicContact CD2-CD2 4.39Å; C148-L151 HydrophobicContact CB-CB 4.23Å; C148-L151 VanDerWaalsContact O-CB 3.24Å; C148-L151 WeakPolarHBondContact O-CB 3.49Å; C148-L151 PolarHBondContact O-N 3.27Å; C148-L151 VanDerWaalsContact O-N 3.09Å; L151-T153 WeakPolarHBondContact CD1-O 3.41Å; L151-L154 HydrophobicContact CD2-CB 4.05Å; L151-L154 HydrophobicContact CD2-CD1 4.39Å; L151-L154 HydrophobicContact CD2-CD2 4.1Å; L151-L154 HydrophobicContact CD2-CG 4.41Å; L151-N175 CarbonylContact O-C 3.39Å; L151-L176 HydrophobicContact CD2-CD2 4.19Å; L151-L176 HydrophobicContact CG-CD2 3.99Å; L151-L176 PolarHBondContact O-N 3.18Å
152	T	98.3	Very high	96.7	Very high	47 Å²	47	40.7 Å²	40.7	29%	0.288	22%	0.219	S	C	.	.			trans	-110.1	-30.1	-178.9	63.4	0	0	0	0	112.1	E126 L150 T177 C178	E126-T152 PolarHBondContact O-N 3.2Å; E126-T152 PolarHBondContact O-OG1 2.73Å; L150-T152 WeakPolarHBondContact O-CG2 3.42Å; L150-T152 PolarHBondContact O-N 3.4Å; T152-T177 PolarHBondContact O-N 3.08Å; T152-T177 PolarHBondContact O-OG1 3.24Å; T152-T177 VanDerWaalsContact O-OG1 3.08Å; T152-C178 PolarHBondContact O-N 3.07Å
153	T	98.6	Very high	96.7	Very high	46 Å²	46	42.5 Å²	42.5	28%	0.282	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	125.6	-180	-60.8	0	0	0	0	110.1	E126 S127 L128 L151 C178	E126-T153 PolarHBondContact O-N 3.15Å; S127-T153 WeakPolarHBondContact CA-O 3.43Å; L128-T153 PolarHBondContact N-O 2.91Å; L151-T153 WeakPolarHBondContact CD1-O 3.41Å; T153-C178 WeakPolarHBondContact CA-O 3.36Å; T153-C178 HydrophobicContact CG2-CB 4.06Å
154	L	98.5	Very high	96.8	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.005	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	131.4	173.8	179.9	61.3	0	0	0	110.9	L128 L130 L144 L151 L156 L170 L176 C178 L179 D180	L128-L154 HydrophobicContact CB-CD1 4.03Å; L128-L154 HydrophobicContact CD2-CD1 4.22Å; L128-L154 HydrophobicContact CG-CD1 4.25Å; L128-L154 WeakPolarHBondContact O-CA 3.42Å; L130-L154 HydrophobicContact CD1-CD1 4.45Å; L144-L154 HydrophobicContact CD1-CD1 4.17Å; L144-L154 HydrophobicContact CD1-CD2 4.02Å; L151-L154 HydrophobicContact CD2-CB 4.05Å; L151-L154 HydrophobicContact CD2-CD1 4.39Å; L151-L154 HydrophobicContact CD2-CD2 4.1Å; L151-L154 HydrophobicContact CD2-CG 4.41Å; L154-L156 HydrophobicContact CD1-CD2 4.23Å; L154-L156 HydrophobicContact CD1-CG 4.27Å; L154-L156 HydrophobicContact CD2-CD1 3.9Å; L154-L156 HydrophobicContact CD2-CG 4.1Å; L154-L156 HydrophobicContact CG-CD1 4.34Å; L154-L156 HydrophobicContact CG-CD2 4.49Å; L154-L156 HydrophobicContact CG-CG 4.01Å; L154-L170 HydrophobicContact CD2-CD1 3.5Å; L154-L170 VanDerWaalsContact CD2-CD1 3.5Å; L154-L170 HydrophobicContact CD2-CD2 3.66Å; L154-L170 HydrophobicContact CD2-CG 4.22Å; L154-L176 HydrophobicContact CB-CD2 3.96Å; L154-C178 PolarHBondContact N-O 2.89Å; L154-L179 HydrophobicContact CB-CD1 4.11Å; L154-L179 HydrophobicContact CD2-CD1 4.19Å; L154-L179 HydrophobicContact CG-CD1 4.23Å; L154-L179 WeakPolarHBondContact O-CA 3.38Å; L154-D180 PolarHBondContact O-N 3.19Å
155	S	98.3	Very high	96.8	Very high	18 Å²	18	42.6 Å²	42.6	13%	0.126	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	126.4	166.5	-166.3	0	0	0	0	111	L128 L130 S131	L128-S155 PolarHBondContact O-N 3.05Å; L130-S155 PolarHBondContact N-O 3.29Å; S131-S155 PolarHBondContact OG-OG 2.99Å
156	L	97.9	Very high	96.9	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.228	C	C	.	.			trans	-121.6	20.5	175.3	-63.9	171.1	0	0	0	110.4	L130 L154 S158 C159 I162 L170 D180 C184	L130-L156 HydrophobicContact CB-CD2 4.15Å; L130-L156 HydrophobicContact CD1-CD2 3.96Å; L154-L156 HydrophobicContact CD1-CD2 4.23Å; L154-L156 HydrophobicContact CD1-CG 4.27Å; L154-L156 HydrophobicContact CD2-CD1 3.9Å; L154-L156 HydrophobicContact CD2-CG 4.1Å; L154-L156 HydrophobicContact CG-CD1 4.34Å; L154-L156 HydrophobicContact CG-CD2 4.49Å; L154-L156 HydrophobicContact CG-CG 4.01Å; L156-S158 PolarHBondContact O-N 3.14Å; L156-C159 HydrophobicContact CB-CB 4.42Å; L156-C159 VanDerWaalsContact O-CB 3.25Å; L156-C159 WeakPolarHBondContact O-CB 3.44Å; L156-C159 PolarHBondContact O-N 3.4Å; L156-I162 HydrophobicContact CB-CD1 4.26Å; L156-I162 HydrophobicContact CD1-CD1 3.86Å; L156-I162 HydrophobicContact CD1-CG2 4.48Å; L156-I162 HydrophobicContact CD2-CD1 3.73Å; L156-I162 HydrophobicContact CG-CD1 4.16Å; L156-L170 HydrophobicContact CD1-CD2 4.35Å; L156-D180 PolarHBondContact N-O 3.43Å; L156-C184 PolarHBondContact O-SG 3.06Å
157	E	97.9	Very high	97	Very high	55 Å²	55	34.9 Å²	34.9	26%	0.257	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47.7	129.9	-179.6	179.2	-153.9	167.8	0	0	110.7	K105 S131 G132 C159 S182	K105-E157 IonicContact NZ-OE2 3.26Å; K105-E157 PolarHBondContact NZ-OE2 2.75Å; S131-E157 CarbonylContact C-O 3.57Å; S131-E157 VanDerWaalsContact CA-O 3.23Å; S131-E157 WeakPolarHBondContact CA-O 3.31Å; S131-E157 WeakPolarHBondContact OG-CB 3.5Å; S131-E157 PolarHBondContact OG-OE2 2.99Å; G132-E157 PolarHBondContact N-O 3.01Å; E157-C159 PolarHBondContact O-N 3.01Å; E157-S182 CarbonylContact C-O 3.57Å; E157-S182 VanDerWaalsContact CA-O 3.31Å; E157-S182 WeakPolarHBondContact CA-O 3.37Å
158	S	96.6	Very high	97.1	Very high	42 Å²	42	35.5 Å²	35.5	29%	0.294	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.5	23.8	179.8	-54.2	0	0	0	0	115.5	L156 S160 S182	L156-S158 PolarHBondContact O-N 3.14Å; S158-S160 PolarHBondContact O-N 3.12Å; S158-S182 PolarHBondContact N-O 3.47Å
159	C	95.9	Very high	97.3	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	22%	0.217	C	C	.	.			trans	-87.9	73	166.3	-71.5	0	0	0	0	110.5	L130 C133 L156 E157 R161 I162	L130-C159 PolarHBondContact O-SG 3.22Å; L130-C159 VanDerWaalsContact O-SG 3.36Å; C133-C159 PolarHBondContact O-SG 3.39Å; L156-C159 HydrophobicContact CB-CB 4.42Å; L156-C159 VanDerWaalsContact O-CB 3.25Å; L156-C159 WeakPolarHBondContact O-CB 3.44Å; L156-C159 PolarHBondContact O-N 3.4Å; E157-C159 PolarHBondContact O-N 3.01Å; C159-R161 PolarHBondContact O-N 3.23Å; C159-I162 HydrophobicContact CB-CD1 3.66Å; C159-I162 HydrophobicContact CB-CG1 4.1Å; C159-I162 WeakPolarHBondContact O-CB 3.49Å; C159-I162 PolarHBondContact O-N 2.9Å
160	S	93.8	Very high	97.5	Very high	71 Å²	71	35.7 Å²	35.7	50%	0.497	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-5.7	-169.7	60.5	0	0	0	0	117.1	S158	S158-S160 PolarHBondContact O-N 3.12Å
161	R	96.2	Very high	97.6	Very high	138 Å²	138	33.7 Å²	33.7	52%	0.521	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.4	8.7	173.7	-59.9	179.6	-179.4	171.2	4	113.1	L136 T137 C159	L136-R161 WeakPolarHBondContact O-CB 3.06Å; T137-R161 HydrophobicContact CG2-CB 4.31Å; C159-R161 PolarHBondContact O-N 3.23Å
162	I	97.3	Very high	97.5	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	21%	0.21	C	C	.	.			trans	-99.8	125.4	171.4	-61.5	178.4	0	0	0	107.6	N138 L156 C159 L167 S185	N138-I162 WeakPolarHBondContact OD1-CA 3.44Å; L156-I162 HydrophobicContact CB-CD1 4.26Å; L156-I162 HydrophobicContact CD1-CD1 3.86Å; L156-I162 HydrophobicContact CD1-CG2 4.48Å; L156-I162 HydrophobicContact CD2-CD1 3.73Å; L156-I162 HydrophobicContact CG-CD1 4.16Å; C159-I162 HydrophobicContact CB-CD1 3.66Å; C159-I162 HydrophobicContact CB-CG1 4.1Å; C159-I162 WeakPolarHBondContact O-CB 3.49Å; C159-I162 PolarHBondContact O-N 2.9Å; I162-L167 HydrophobicContact CG2-CD1 3.93Å; I162-S185 PolarHBondContact O-N 3.17Å; I162-S185 VanDerWaalsContact O-N 3.11Å
163	D	98.1	Very high	97.4	Very high	62 Å²	62	35.1 Å²	35.1	33%	0.332	20%	0.196	S	C	.	.	B	Isolated β-bridge	trans	-126.3	-169.2	-179	65.6	23	0	0	0	111.3	N138 A165 G166 L167 S185	N138-D163 VanDerWaalsContact ND2-CG 3.33Å; N138-D163 PolarHBondContact ND2-OD1 3.12Å; N138-D163 PolarHBondContact ND2-OD2 2.78Å; N138-D163 PolarHBondContact OD1-N 3.45Å; N138-D163 VanDerWaalsContact OD1-N 3.14Å; N138-D163 PolarHBondContact OD1-OD1 3.05Å; D163-A165 PolarHBondContact O-N 3.49Å; D163-A165 WeakPolarHBondContact OD1-CA 3.36Å; D163-A165 VanDerWaalsContact OD1-CB 3.28Å; D163-A165 WeakPolarHBondContact OD1-CB 3.34Å; D163-A165 PolarHBondContact OD1-N 3.32Å; D163-G166 WeakPolarHBondContact O-CA 3.17Å; D163-G166 PolarHBondContact O-N 3.45Å; D163-G166 PolarHBondContact OD1-N 3.08Å; D163-L167 PolarHBondContact O-N 2.57Å; D163-L167 VanDerWaalsContact O-N 3.14Å; D163-S185 WeakPolarHBondContact CA-O 3.45Å; D163-S185 VanDerWaalsContact CB-O 3.28Å; D163-S185 WeakPolarHBondContact CB-O 3.49Å
164	D	98.6	Very high	97.3	Very high	25 Å²	25	36 Å²	36	13%	0.134	20%	0.204	C	C	.	.	H	α-helix	trans	-53.2	-34	177.2	-73	-23.7	0	0	0	114	G166 L167 E168 G187 R189 G190	D164-G166 VanDerWaalsContact C-N 3.33Å; D164-L167 PolarHBondContact O-N 3.18Å; D164-E168 WeakPolarHBondContact O-CG 3.47Å; D164-E168 PolarHBondContact O-N 2.97Å; D164-G187 PolarHBondContact OD1-N 3.08Å; D164-R189 HydrophobicContact CB-CB 4.18Å; D164-R189 HydrophobicContact CB-CG 4.29Å; D164-R189 WeakPolarHBondContact OD2-CB 3.38Å; D164-G190 WeakPolarHBondContact OD1-CA 3.31Å; D164-G190 PolarHBondContact OD1-N 3.4Å
165	A	98.5	Very high	97.2	Very high	28 Å²	28	39.4 Å²	39.4	23%	0.231	22%	0.223	C	C	.	.	H	α-helix	trans	-69.4	-33.6	177.1	0	0	0	0	0	111.4	D163 E168 M169	D163-A165 PolarHBondContact O-N 3.49Å; D163-A165 WeakPolarHBondContact OD1-CA 3.36Å; D163-A165 VanDerWaalsContact OD1-CB 3.28Å; D163-A165 WeakPolarHBondContact OD1-CB 3.34Å; D163-A165 PolarHBondContact OD1-N 3.32Å; A165-E168 PolarHBondContact O-N 2.94Å; A165-M169 WeakPolarHBondContact O-CG 3.37Å; A165-M169 PolarHBondContact O-N 3.41Å
166	G	98.2	Very high	97.2	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-62.1	-45.8	170.5	0	0	0	0	0	111.8	N138 C141 D163 D164 E168 M169 L170	N138-G166 VanDerWaalsContact CG-N 3.32Å; N138-G166 WeakPolarHBondContact OD1-CA 3.43Å; N138-G166 PolarHBondContact OD1-N 3Å; N138-G166 VanDerWaalsContact OD1-N 3.16Å; C141-G166 WeakPolarHBondContact CB-O 3.31Å; D163-G166 WeakPolarHBondContact O-CA 3.17Å; D163-G166 PolarHBondContact O-N 3.45Å; D163-G166 PolarHBondContact OD1-N 3.08Å; D164-G166 VanDerWaalsContact C-N 3.33Å; G166-E168 PolarHBondContact O-N 3.12Å; G166-M169 PolarHBondContact O-N 3.09Å; G166-L170 WeakPolarHBondContact O-CB 3.32Å; G166-L170 PolarHBondContact O-N 2.94Å
167	L	98.3	Very high	97.2	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-66.2	-35.4	178.3	-90.3	61.6	0	0	0	112.9	I162 D163 D164 M169 L170 S171 V181 V186 I194	I162-L167 HydrophobicContact CG2-CD1 3.93Å; D163-L167 PolarHBondContact O-N 2.57Å; D163-L167 VanDerWaalsContact O-N 3.14Å; D164-L167 PolarHBondContact O-N 3.18Å; L167-M169 VanDerWaalsContact C-N 3.32Å; L167-M169 PolarHBondContact O-N 3.08Å; L167-L170 PolarHBondContact O-N 2.83Å; L167-S171 PolarHBondContact O-N 2.71Å; L167-V181 HydrophobicContact CD1-CG1 4.13Å; L167-V186 HydrophobicContact CD1-CG2 3.64Å; L167-V186 HydrophobicContact CD2-CB 4.15Å; L167-V186 HydrophobicContact CD2-CG1 3.36Å; L167-V186 HydrophobicContact CD2-CG2 3.62Å; L167-V186 HydrophobicContact CG-CG2 4.27Å; L167-I194 HydrophobicContact CB-CD1 4.22Å; L167-I194 HydrophobicContact CB-CG1 3.96Å; L167-I194 HydrophobicContact CD2-CG1 3.96Å; L167-I194 HydrophobicContact CG-CD1 4.2Å; L167-I194 HydrophobicContact CG-CG1 3.87Å; L167-I194 WeakPolarHBondContact O-CD1 3.3Å
168	E	98.3	Very high	97.2	Very high	69 Å²	69	38.4 Å²	38.4	32%	0.322	22%	0.22	S	C	.	.	H	α-helix	trans	-58.3	-44.4	170.7	-79	-179.2	174	0	0	112.1	D164 A165 G166 S171 R189 A193	D164-E168 WeakPolarHBondContact O-CG 3.47Å; D164-E168 PolarHBondContact O-N 2.97Å; A165-E168 PolarHBondContact O-N 2.94Å; G166-E168 PolarHBondContact O-N 3.12Å; E168-S171 WeakPolarHBondContact O-CB 3.26Å; E168-S171 PolarHBondContact O-N 3.28Å; E168-S171 PolarHBondContact O-OG 2.86Å; E168-R189 IonicContact OE1-CZ 3.68Å; E168-R189 IonicContact OE1-NE 3.49Å; E168-R189 PolarHBondContact OE1-NE 3.14Å; E168-R189 IonicContact OE1-NH2 2.79Å; E168-R189 PolarHBondContact OE1-NH2 3.21Å; E168-R189 IonicContact OE2-CZ 3.85Å; E168-R189 IonicContact OE2-NE 3.95Å; E168-R189 IonicContact OE2-NH2 3.7Å; E168-R189 PolarHBondContact OE2-NH2 2.8Å; E168-A193 HydrophobicContact CB-CB 4.29Å; E168-A193 HydrophobicContact CG-CB 3.6Å
169	M	97.7	Very high	97.3	Very high	77 Å²	77	36.4 Å²	36.4	38%	0.379	21%	0.206	S	C	.	.	H	α-helix	trans	-67.6	-41	177	-63.7	179	-156.6	0	0	111.8	C141 S142 A165 G166 L167 S171 S172	C141-M169 HydrophobicContact CB-CB 4.35Å; S142-M169 VanDerWaalsContact CB-SD 3.56Å; A165-M169 WeakPolarHBondContact O-CG 3.37Å; A165-M169 PolarHBondContact O-N 3.41Å; G166-M169 PolarHBondContact O-N 3.09Å; L167-M169 VanDerWaalsContact C-N 3.32Å; L167-M169 PolarHBondContact O-N 3.08Å; M169-S171 PolarHBondContact O-N 2.75Å; M169-S172 PolarHBondContact O-N 3.11Å; M169-S172 PolarHBondContact O-OG 2.88Å
170	L	97.3	Very high	97.5	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-65.6	-26.1	178.5	-175.3	65.7	0	0	0	112.8	C141 L144 L154 L156 G166 L167 S172 C173 L176 L179 I194	C141-L170 HydrophobicContact CB-CB 4.28Å; L144-L170 HydrophobicContact CB-CD1 4.32Å; L154-L170 HydrophobicContact CD2-CD1 3.5Å; L154-L170 VanDerWaalsContact CD2-CD1 3.5Å; L154-L170 HydrophobicContact CD2-CD2 3.66Å; L154-L170 HydrophobicContact CD2-CG 4.22Å; L156-L170 HydrophobicContact CD1-CD2 4.35Å; G166-L170 WeakPolarHBondContact O-CB 3.32Å; G166-L170 PolarHBondContact O-N 2.94Å; L167-L170 PolarHBondContact O-N 2.83Å; L170-S172 PolarHBondContact O-N 2.72Å; L170-C173 HydrophobicContact CD1-CB 4.42Å; L170-C173 WeakPolarHBondContact O-CB 3.45Å; L170-C173 PolarHBondContact O-N 2.89Å; L170-L176 HydrophobicContact CD1-CD1 4.18Å; L170-L176 HydrophobicContact CD2-CD1 4.24Å; L170-L176 HydrophobicContact CG-CD1 3.99Å; L170-L179 HydrophobicContact CD2-CD1 3.83Å; L170-L179 HydrophobicContact CD2-CD2 4.11Å; L170-I194 HydrophobicContact CB-CD1 4.3Å; L170-I194 HydrophobicContact CD2-CD1 4.19Å; L170-I194 HydrophobicContact CG-CD1 4.31Å
171	S	96.9	Very high	97.7	Very high	28 Å²	28	34.1 Å²	34.1	20%	0.196	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-14.9	-179.9	75.7	0	0	0	0	114.4	L167 E168 M169 C173 A193 G197	L167-S171 PolarHBondContact O-N 2.71Å; E168-S171 WeakPolarHBondContact O-CB 3.26Å; E168-S171 PolarHBondContact O-N 3.28Å; E168-S171 PolarHBondContact O-OG 2.86Å; M169-S171 PolarHBondContact O-N 2.75Å; S171-C173 VanDerWaalsContact C-N 3.28Å; S171-C173 PolarHBondContact O-N 3.39Å; S171-A193 WeakPolarHBondContact CB-O 3.5Å; S171-G197 WeakPolarHBondContact O-CA 3.17Å
172	S	96.4	Very high	97.8	Very high	78 Å²	78	27.7 Å²	27.7	55%	0.545	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-21.5	172.2	-55.9	0	0	0	0	113.4	G145 M169 L170 S174	G145-S172 WeakPolarHBondContact O-CB 3.31Å; M169-S172 PolarHBondContact O-N 3.11Å; M169-S172 PolarHBondContact O-OG 2.88Å; L170-S172 PolarHBondContact O-N 2.72Å; S172-S174 PolarHBondContact O-N 2.93Å
173	C	96.2	Very high	97.8	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.187	C	C	.	.			trans	-74.8	66.7	174.1	-66.5	0	0	0	0	111.3	L170 S171 N175 L176	L170-C173 HydrophobicContact CD1-CB 4.42Å; L170-C173 WeakPolarHBondContact O-CB 3.45Å; L170-C173 PolarHBondContact O-N 2.89Å; S171-C173 VanDerWaalsContact C-N 3.28Å; S171-C173 PolarHBondContact O-N 3.39Å; C173-N175 PolarHBondContact O-N 3.15Å; C173-L176 HydrophobicContact CB-CD1 3.65Å; C173-L176 HydrophobicContact CB-CG 3.78Å; C173-L176 WeakPolarHBondContact O-CB 3.49Å; C173-L176 WeakPolarHBondContact O-CG 3.41Å; C173-L176 PolarHBondContact O-N 2.83Å
174	S	95.9	Very high	97.8	Very high	65 Å²	65	31.1 Å²	31.1	46%	0.455	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-16.4	-171.7	56.2	0	0	0	0	116.2	S172	S172-S174 PolarHBondContact O-N 2.93Å
175	N	96.8	Very high	97.7	Very high	72 Å²	72	32.9 Å²	32.9	39%	0.385	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	1.8	177.2	-71.6	-45	0	0	0	114	S149 L151 C173 T177	S149-N175 PolarHBondContact O-ND2 2.94Å; L151-N175 CarbonylContact O-C 3.39Å; C173-N175 PolarHBondContact O-N 3.15Å; N175-T177 PolarHBondContact O-N 2.96Å
176	L	98	Very high	97.6	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	18%	0.177	C	C	.	.			trans	-59.4	123	177.3	-79.9	172.7	0	0	0	111	L151 L154 L170 C173 C198 S200 L201	L151-L176 HydrophobicContact CD2-CD2 4.19Å; L151-L176 HydrophobicContact CG-CD2 3.99Å; L151-L176 PolarHBondContact O-N 3.18Å; L154-L176 HydrophobicContact CB-CD2 3.96Å; L170-L176 HydrophobicContact CD1-CD1 4.18Å; L170-L176 HydrophobicContact CD2-CD1 4.24Å; L170-L176 HydrophobicContact CG-CD1 3.99Å; C173-L176 HydrophobicContact CB-CD1 3.65Å; C173-L176 HydrophobicContact CB-CG 3.78Å; C173-L176 WeakPolarHBondContact O-CB 3.49Å; C173-L176 WeakPolarHBondContact O-CG 3.41Å; C173-L176 PolarHBondContact O-N 2.83Å; L176-C198 HydrophobicContact CB-CB 4.21Å; L176-S200 CarbonylContact O-C 3.44Å; L176-L201 PolarHBondContact O-N 2.85Å
177	T	98.4	Very high	97.6	Very high	33 Å²	33	31.7 Å²	31.7	20%	0.202	18%	0.178	C	C	.	.			trans	-112	-25.8	175.1	66.4	0	0	0	0	111.7	T152 N175 Q202 R203	T152-T177 PolarHBondContact O-N 3.08Å; T152-T177 PolarHBondContact O-OG1 3.24Å; T152-T177 VanDerWaalsContact O-OG1 3.08Å; N175-T177 PolarHBondContact O-N 2.96Å; T177-Q202 WeakPolarHBondContact O-CA 3.24Å; T177-Q202 PolarHBondContact O-N 3.08Å; T177-R203 PolarHBondContact O-N 3.2Å
178	C	98.7	Very high	97.6	Very high	18 Å²	18	33.1 Å²	33.1	12%	0.122	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	120.1	178.3	-173.9	0	0	0	0	109.8	T152 T153 L154 R203	T152-C178 PolarHBondContact O-N 3.07Å; T153-C178 WeakPolarHBondContact CA-O 3.36Å; T153-C178 HydrophobicContact CG2-CB 4.06Å; L154-C178 PolarHBondContact N-O 2.89Å; C178-R203 WeakPolarHBondContact CA-O 3.38Å; C178-R203 HydrophobicContact CB-CB 4.32Å
179	L	98.7	Very high	97.6	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.005	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	128.3	176.7	177.5	60.8	0	0	0	110.2	L154 L170 V181 I194 L201 R203 F204 R205	L154-L179 HydrophobicContact CB-CD1 4.11Å; L154-L179 HydrophobicContact CD2-CD1 4.19Å; L154-L179 HydrophobicContact CG-CD1 4.23Å; L154-L179 WeakPolarHBondContact O-CA 3.38Å; L170-L179 HydrophobicContact CD2-CD1 3.83Å; L170-L179 HydrophobicContact CD2-CD2 4.11Å; L179-V181 HydrophobicContact CD1-CG1 3.87Å; L179-V181 HydrophobicContact CD2-CG1 4.24Å; L179-V181 HydrophobicContact CG-CG1 3.95Å; L179-I194 HydrophobicContact CD2-CD1 3.89Å; L179-I194 HydrophobicContact CD2-CG1 4.03Å; L179-I194 HydrophobicContact CD2-CG2 3.95Å; L179-L201 HydrophobicContact CB-CD1 3.98Å; L179-R203 PolarHBondContact N-O 3.48Å; L179-F204 HydrophobicContact CB-CD2 4.13Å; L179-F204 HydrophobicContact CD2-CD2 4.26Å; L179-F204 HydrophobicContact CD2-CE2 3.89Å; L179-F204 HydrophobicContact CG-CD2 4.26Å; L179-F204 HydrophobicContact CG-CE2 4.13Å; L179-F204 WeakPolarHBondContact O-CA 3.35Å; L179-R205 PolarHBondContact O-N 3.43Å
180	D	98.7	Very high	97.6	Very high	22 Å²	22	33 Å²	33	12%	0.118	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	116.4	173.1	-166.6	-22	0	0	0	109.8	L154 L156 S182 R205	L154-D180 PolarHBondContact O-N 3.19Å; L156-D180 PolarHBondContact N-O 3.43Å; D180-S182 WeakPolarHBondContact OD1-CB 3.44Å; D180-S182 PolarHBondContact OD1-N 2.95Å; D180-S182 PolarHBondContact OD1-OG 3.05Å; D180-R205 WeakPolarHBondContact CA-O 3.46Å; D180-R205 HydrophobicContact CB-CB 4.21Å; D180-R205 WeakPolarHBondContact OD2-CD 3.35Å
181	V	98.4	Very high	97.7	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.178	C	C	.	.			trans	-121.8	23	177.9	-64.6	0	0	0	0	110.8	L167 L179 W183 C184 F204 R205 A206 C209	L167-V181 HydrophobicContact CD1-CG1 4.13Å; L179-V181 HydrophobicContact CD1-CG1 3.87Å; L179-V181 HydrophobicContact CD2-CG1 4.24Å; L179-V181 HydrophobicContact CG-CG1 3.95Å; V181-W183 PolarHBondContact O-N 3.01Å; V181-C184 HydrophobicContact CB-CB 4.44Å; V181-C184 WeakPolarHBondContact O-CB 3.44Å; V181-C184 PolarHBondContact O-N 3.38Å; V181-C184 VanDerWaalsContact O-N 3.17Å; V181-C184 PolarHBondContact O-SG 2.9Å; V181-F204 HydrophobicContact CG2-CE2 3.98Å; V181-F204 HydrophobicContact CG2-CZ 3.84Å; V181-R205 WeakPolarHBondContact CG2-O 3.47Å; V181-R205 PolarHBondContact N-O 3.3Å; V181-A206 HydrophobicContact CG2-CB 3.88Å; V181-C209 PolarHBondContact O-SG 3.05Å; V181-C209 VanDerWaalsContact O-SG 3.34Å
182	S	98.6	Very high	97.7	Very high	3 Å²	3	33.1 Å²	33.1	2%	0.021	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	138.9	179.8	-59.1	0	0	0	0	111.4	E157 S158 D180 C184 I207	E157-S182 CarbonylContact C-O 3.57Å; E157-S182 VanDerWaalsContact CA-O 3.31Å; E157-S182 WeakPolarHBondContact CA-O 3.37Å; S158-S182 PolarHBondContact N-O 3.47Å; D180-S182 WeakPolarHBondContact OD1-CB 3.44Å; D180-S182 PolarHBondContact OD1-N 2.95Å; D180-S182 PolarHBondContact OD1-OG 3.05Å; S182-C184 PolarHBondContact O-N 2.77Å; S182-I207 CarbonylContact C-O 3.49Å; S182-I207 WeakPolarHBondContact CA-O 3.44Å; S182-I207 PolarHBondContact OG-N 3.32Å; S182-I207 VanDerWaalsContact OG-N 3.13Å
183	W	97.4	Very high	97.8	Very high	126 Å²	126	30.1 Å²	30.1	48%	0.477	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.9	29.9	-178.4	-50.7	106.2	0	0	0	114.4	V181 I207	V181-W183 PolarHBondContact O-N 3.01Å; W183-I207 HydrophobicContact CZ2-CG2 4.02Å; W183-I207 PolarHBondContact N-O 3.13Å
184	C	97.2	Very high	97.9	Very high	9 Å²	9	30.1 Å²	30.1	6%	0.061	16%	0.158	C	C	.	.	S	Bend	trans	-97.9	170.2	165.3	-61.9	0	0	0	0	110.8	L156 V181 S182 V186	L156-C184 PolarHBondContact O-SG 3.06Å; V181-C184 HydrophobicContact CB-CB 4.44Å; V181-C184 WeakPolarHBondContact O-CB 3.44Å; V181-C184 PolarHBondContact O-N 3.38Å; V181-C184 VanDerWaalsContact O-N 3.17Å; V181-C184 PolarHBondContact O-SG 2.9Å; S182-C184 PolarHBondContact O-N 2.77Å; C184-V186 VanDerWaalsContact C-N 3.27Å; C184-V186 HydrophobicContact CB-CG2 3.95Å; C184-V186 PolarHBondContact O-N 2.85Å; C184-V186 VanDerWaalsContact O-N 3.17Å
185	S	96.3	Very high	98	Very high	61 Å²	61	27 Å²	27	43%	0.427	14%	0.136	S	C	.	.	B	Isolated β-bridge	trans	-90.6	59	177.9	-67.5	0	0	0	0	111.3	I162 D163	I162-S185 PolarHBondContact O-N 3.17Å; I162-S185 VanDerWaalsContact O-N 3.11Å; D163-S185 WeakPolarHBondContact CA-O 3.45Å; D163-S185 VanDerWaalsContact CB-O 3.28Å; D163-S185 WeakPolarHBondContact CB-O 3.49Å
186	V	97.4	Very high	98.1	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.006	14%	0.144	C	C	.	.			trans	-108.2	138.7	-174.5	169.5	0	0	0	0	110.9	L167 C184 L191	L167-V186 HydrophobicContact CD1-CG2 3.64Å; L167-V186 HydrophobicContact CD2-CB 4.15Å; L167-V186 HydrophobicContact CD2-CG1 3.36Å; L167-V186 HydrophobicContact CD2-CG2 3.62Å; L167-V186 HydrophobicContact CG-CG2 4.27Å; C184-V186 VanDerWaalsContact C-N 3.27Å; C184-V186 HydrophobicContact CB-CG2 3.95Å; C184-V186 PolarHBondContact O-N 2.85Å; C184-V186 VanDerWaalsContact O-N 3.17Å; V186-L191 HydrophobicContact CG1-CD1 3.59Å
187	G	97.9	Very high	98	Very high	2 Å²	2	31.7 Å²	31.7	2%	0.021	16%	0.155	C	C	.	.	B	Isolated β-bridge	trans	-130.8	-159.8	173.6	0	0	0	0	0	113	D164 R189 G190 L191	D164-G187 PolarHBondContact OD1-N 3.08Å; G187-R189 PolarHBondContact O-N 2.78Å; G187-G190 PolarHBondContact O-N 3.38Å; G187-L191 PolarHBondContact O-N 3.1Å; G187-L191 VanDerWaalsContact O-N 3.14Å
188	D	98.2	Very high	98	Very high	30 Å²	30	30.1 Å²	30.1	16%	0.16	15%	0.146	C	C	.	.	H	α-helix	trans	-61.5	-29.7	-173.5	-67.8	-20.1	0	0	0	113.9	T192 T213 G216	D188-T192 WeakPolarHBondContact O-CB 3.49Å; D188-T192 PolarHBondContact O-N 3.25Å; D188-T192 PolarHBondContact O-OG1 3.01Å; D188-T213 PolarHBondContact OD1-N 3.25Å; D188-T213 PolarHBondContact OD1-OG1 2.87Å; D188-T213 PolarHBondContact OD2-OG1 2.82Å; D188-G216 VanDerWaalsContact CG-N 3.33Å; D188-G216 WeakPolarHBondContact OD1-CA 3.47Å; D188-G216 PolarHBondContact OD1-N 3.22Å
189	R	98.5	Very high	97.8	Very high	144 Å²	144	35.8 Å²	35.8	54%	0.543	17%	0.168	S	C	.	.	H	α-helix	trans	-68.5	-44.1	179.9	176.5	-176.1	175.1	-158	-10.5	110.8	D164 E168 G187 T192 A193	D164-R189 HydrophobicContact CB-CB 4.18Å; D164-R189 HydrophobicContact CB-CG 4.29Å; D164-R189 WeakPolarHBondContact OD2-CB 3.38Å; E168-R189 IonicContact OE1-CZ 3.68Å; E168-R189 IonicContact OE1-NE 3.49Å; E168-R189 PolarHBondContact OE1-NE 3.14Å; E168-R189 IonicContact OE1-NH2 2.79Å; E168-R189 PolarHBondContact OE1-NH2 3.21Å; E168-R189 IonicContact OE2-CZ 3.85Å; E168-R189 IonicContact OE2-NE 3.95Å; E168-R189 IonicContact OE2-NH2 3.7Å; E168-R189 PolarHBondContact OE2-NH2 2.8Å; G187-R189 PolarHBondContact O-N 2.78Å; R189-T192 WeakPolarHBondContact O-CB 3.36Å; R189-T192 PolarHBondContact O-N 3.33Å; R189-A193 PolarHBondContact O-N 3.09Å
190	G	98.3	Very high	97.7	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-64.3	-43.7	174.7	0	0	0	0	0	111.8	D164 G187 T192 A193 I194	D164-G190 WeakPolarHBondContact OD1-CA 3.31Å; D164-G190 PolarHBondContact OD1-N 3.4Å; G187-G190 PolarHBondContact O-N 3.38Å; G190-T192 VanDerWaalsContact C-N 3.33Å; G190-T192 PolarHBondContact O-N 2.95Å; G190-A193 PolarHBondContact O-N 3.43Å; G190-I194 WeakPolarHBondContact O-CG1 3.39Å; G190-I194 PolarHBondContact O-N 3.39Å
191	L	98.2	Very high	97.6	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-58.6	-43.7	174	-95.6	61.4	0	0	0	112	V186 G187 A193 I194 A195 F204 I212 L220	V186-L191 HydrophobicContact CG1-CD1 3.59Å; G187-L191 PolarHBondContact O-N 3.1Å; G187-L191 VanDerWaalsContact O-N 3.14Å; L191-A193 VanDerWaalsContact C-N 3.32Å; L191-A193 PolarHBondContact O-N 2.98Å; L191-I194 PolarHBondContact O-N 3.08Å; L191-A195 WeakPolarHBondContact O-CB 3.49Å; L191-A195 PolarHBondContact O-N 3.19Å; L191-F204 HydrophobicContact CD1-CE1 4.01Å; L191-F204 HydrophobicContact CD1-CZ 3.81Å; L191-F204 HydrophobicContact CD2-CE1 4.48Å; L191-F204 HydrophobicContact CG-CE1 4.09Å; L191-F204 HydrophobicContact CG-CZ 4.21Å; L191-I212 HydrophobicContact CD1-CD1 3.58Å; L191-I212 HydrophobicContact CD1-CG1 3.91Å; L191-I212 HydrophobicContact CD2-CB 4.44Å; L191-I212 HydrophobicContact CD2-CD1 3.94Å; L191-I212 HydrophobicContact CD2-CG1 4.02Å; L191-I212 HydrophobicContact CD2-CG2 3.63Å; L191-I212 HydrophobicContact CG-CD1 4.41Å; L191-L220 HydrophobicContact CD2-CD1 3.92Å; L191-L220 HydrophobicContact CG-CD1 4.1Å; L191-L220 HydrophobicContact CG-CG 4.47Å
192	T	98.4	Very high	97.6	Very high	30 Å²	30	41.3 Å²	41.3	18%	0.184	20%	0.201	C	C	.	.	H	α-helix	trans	-59.4	-43.9	176.4	-57.4	0	0	0	0	111.5	D188 R189 G190 R196 Q219	D188-T192 WeakPolarHBondContact O-CB 3.49Å; D188-T192 PolarHBondContact O-N 3.25Å; D188-T192 PolarHBondContact O-OG1 3.01Å; R189-T192 WeakPolarHBondContact O-CB 3.36Å; R189-T192 PolarHBondContact O-N 3.33Å; G190-T192 VanDerWaalsContact C-N 3.33Å; G190-T192 PolarHBondContact O-N 2.95Å; T192-R196 WeakPolarHBondContact O-CG 3.45Å; T192-R196 PolarHBondContact O-N 3.16Å; T192-R196 VanDerWaalsContact O-N 3.13Å; T192-Q219 HydrophobicContact CG2-CG 4.16Å; T192-Q219 WeakPolarHBondContact OG1-CG 3.48Å
193	A	98.3	Very high	97.7	Very high	15 Å²	15	46.1 Å²	46.1	12%	0.124	22%	0.219	C	C	.	.	H	α-helix	trans	-65.7	-48.3	-179.4	0	0	0	0	0	111.9	E168 S171 R189 G190 L191 R196 G197	E168-A193 HydrophobicContact CB-CB 4.29Å; E168-A193 HydrophobicContact CG-CB 3.6Å; S171-A193 WeakPolarHBondContact CB-O 3.5Å; R189-A193 PolarHBondContact O-N 3.09Å; G190-A193 PolarHBondContact O-N 3.43Å; L191-A193 VanDerWaalsContact C-N 3.32Å; L191-A193 PolarHBondContact O-N 2.98Å; A193-R196 PolarHBondContact O-N 3.38Å; A193-G197 PolarHBondContact O-N 3.1Å
194	I	98.3	Very high	97.7	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-61.5	-46	176.5	-67.2	-59.8	0	0	0	111	L167 L170 L179 G190 L191 R196 G197 C198 L201	L167-I194 HydrophobicContact CB-CD1 4.22Å; L167-I194 HydrophobicContact CB-CG1 3.96Å; L167-I194 HydrophobicContact CD2-CG1 3.96Å; L167-I194 HydrophobicContact CG-CD1 4.2Å; L167-I194 HydrophobicContact CG-CG1 3.87Å; L167-I194 WeakPolarHBondContact O-CD1 3.3Å; L170-I194 HydrophobicContact CB-CD1 4.3Å; L170-I194 HydrophobicContact CD2-CD1 4.19Å; L170-I194 HydrophobicContact CG-CD1 4.31Å; L179-I194 HydrophobicContact CD2-CD1 3.89Å; L179-I194 HydrophobicContact CD2-CG1 4.03Å; L179-I194 HydrophobicContact CD2-CG2 3.95Å; G190-I194 WeakPolarHBondContact O-CG1 3.39Å; G190-I194 PolarHBondContact O-N 3.39Å; L191-I194 PolarHBondContact O-N 3.08Å; I194-R196 VanDerWaalsContact C-N 3.27Å; I194-R196 PolarHBondContact O-N 3.41Å; I194-G197 PolarHBondContact O-N 3.2Å; I194-C198 HydrophobicContact CG2-CB 4.24Å; I194-C198 WeakPolarHBondContact O-CA 3.25Å; I194-C198 WeakPolarHBondContact O-CB 3.47Å; I194-C198 PolarHBondContact O-N 3.4Å; I194-L201 HydrophobicContact CG2-CD2 4Å
195	A	98	Very high	97.8	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-58.5	-39.8	179.7	0	0	0	0	0	112.3	L191 Q219 L220 H223	L191-A195 WeakPolarHBondContact O-CB 3.49Å; L191-A195 PolarHBondContact O-N 3.19Å; A195-Q219 HydrophobicContact CB-CB 4.28Å; A195-Q219 WeakPolarHBondContact CB-O 3.33Å; A195-L220 HydrophobicContact CB-CD2 4.05Å; A195-H223 HydrophobicContact CB-CB 4.18Å; A195-H223 WeakPolarHBondContact O-CB 3.45Å
196	R	97.8	Very high	97.9	Very high	147 Å²	147	40.4 Å²	40.4	56%	0.555	19%	0.186	S	C	*	.	H	α-helix	trans	-75.2	-37.4	179.4	-72.3	177.8	179.4	176.6	4.6	113.5	T192 A193 I194 K199	T192-R196 WeakPolarHBondContact O-CG 3.45Å; T192-R196 PolarHBondContact O-N 3.16Å; T192-R196 VanDerWaalsContact O-N 3.13Å; A193-R196 PolarHBondContact O-N 3.38Å; I194-R196 VanDerWaalsContact C-N 3.27Å; I194-R196 PolarHBondContact O-N 3.41Å; R196-K199 WeakPolarHBondContact O-CE 3.15Å
197	G	97.2	Very high	97.9	Very high	23 Å²	23	42 Å²	42	24%	0.237	20%	0.195	C	C	.	.	H	α-helix	trans	-84.5	-39.8	-176.8	0	0	0	0	0	114.3	S171 A193 I194	S171-G197 WeakPolarHBondContact O-CA 3.17Å; A193-G197 PolarHBondContact O-N 3.1Å; I194-G197 PolarHBondContact O-N 3.2Å
198	C	97	Very high	97.9	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	20%	0.198	C	C	.	.			trans	-107.9	63.3	-171.8	-54	0	0	0	0	111.1	L176 I194 S200 L201	L176-C198 HydrophobicContact CB-CB 4.21Å; I194-C198 HydrophobicContact CG2-CB 4.24Å; I194-C198 WeakPolarHBondContact O-CA 3.25Å; I194-C198 WeakPolarHBondContact O-CB 3.47Å; I194-C198 PolarHBondContact O-N 3.4Å; C198-S200 PolarHBondContact O-N 2.76Å; C198-S200 VanDerWaalsContact O-N 3.13Å; C198-L201 VanDerWaalsContact O-CB 3.26Å; C198-L201 WeakPolarHBondContact O-CB 3.47Å; C198-L201 PolarHBondContact O-N 3.26Å; C198-L201 VanDerWaalsContact O-N 3.1Å
199	K	95.4	Very high	97.9	Very high	137 Å²	137	41 Å²	41	60%	0.596	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-18.5	-173.3	-61.9	178.3	-177.3	174.6	0	114.5	R196 L201	R196-K199 WeakPolarHBondContact O-CE 3.15Å; K199-L201 VanDerWaalsContact C-N 3.27Å
200	S	95.8	Very high	97.8	Very high	67 Å²	67	41.1 Å²	41.1	47%	0.469	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.7	11.7	177.6	-57.8	0	0	0	0	113	L176 C198 Q202	L176-S200 CarbonylContact O-C 3.44Å; C198-S200 PolarHBondContact O-N 2.76Å; C198-S200 VanDerWaalsContact O-N 3.13Å; S200-Q202 PolarHBondContact O-N 3.25Å
201	L	98.1	Very high	97.7	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.226	C	C	.	.			trans	-62.9	123	-178.8	-164.3	69.7	0	0	0	110.9	L176 L179 I194 C198 K199 F204 L220 C224 L227	L176-L201 PolarHBondContact O-N 2.85Å; L179-L201 HydrophobicContact CB-CD1 3.98Å; I194-L201 HydrophobicContact CG2-CD2 4Å; C198-L201 VanDerWaalsContact O-CB 3.26Å; C198-L201 WeakPolarHBondContact O-CB 3.47Å; C198-L201 PolarHBondContact O-N 3.26Å; C198-L201 VanDerWaalsContact O-N 3.1Å; K199-L201 VanDerWaalsContact C-N 3.27Å; L201-F204 HydrophobicContact CD2-CB 3.83Å; L201-F204 HydrophobicContact CD2-CD2 3.83Å; L201-F204 HydrophobicContact CD2-CG 4.04Å; L201-F204 HydrophobicContact CG-CB 4.41Å; L201-L220 HydrophobicContact CD2-CD2 4.18Å; L201-C224 HydrophobicContact CB-CB 4.4Å; L201-L227 HydrophobicContact CG-CD1 4.46Å
202	Q	98.5	Very high	97.7	Very high	73 Å²	73	47.2 Å²	47.2	34%	0.341	23%	0.226	S	C	.	.			trans	-110.8	-30.9	-179.6	-65.4	-179	-0.6	0	0	112.2	T177 S200 L228 L229	T177-Q202 WeakPolarHBondContact O-CA 3.24Å; T177-Q202 PolarHBondContact O-N 3.08Å; S200-Q202 PolarHBondContact O-N 3.25Å; Q202-L228 HydrophobicContact CB-CD1 4.43Å; Q202-L228 HydrophobicContact CB-CG 4.41Å; Q202-L228 WeakPolarHBondContact O-CA 3.5Å; Q202-L228 PolarHBondContact O-N 3.48Å; Q202-L229 PolarHBondContact O-N 3.26Å
203	R	98.8	Very high	97.7	Very high	103 Å²	103	48 Å²	48	39%	0.389	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	116.5	-178.1	-54.4	-171.8	-173.2	88	1.3	109.5	T177 C178 L179 L229	T177-R203 PolarHBondContact O-N 3.2Å; C178-R203 WeakPolarHBondContact CA-O 3.38Å; C178-R203 HydrophobicContact CB-CB 4.32Å; L179-R203 PolarHBondContact N-O 3.48Å; R203-L229 WeakPolarHBondContact CA-O 3.24Å; R203-L229 HydrophobicContact CB-CB 4.1Å; R203-L229 HydrophobicContact CB-CD2 4.41Å; R203-L229 HydrophobicContact CG-CB 3.96Å
204	F	98.7	Very high	97.7	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	128.9	178.4	-172.5	-112	0	0	0	110.5	L179 V181 L191 L201 A206 L220 L227 L229 L230 N231	L179-F204 HydrophobicContact CB-CD2 4.13Å; L179-F204 HydrophobicContact CD2-CD2 4.26Å; L179-F204 HydrophobicContact CD2-CE2 3.89Å; L179-F204 HydrophobicContact CG-CD2 4.26Å; L179-F204 HydrophobicContact CG-CE2 4.13Å; L179-F204 WeakPolarHBondContact O-CA 3.35Å; V181-F204 HydrophobicContact CG2-CE2 3.98Å; V181-F204 HydrophobicContact CG2-CZ 3.84Å; L191-F204 HydrophobicContact CD1-CE1 4.01Å; L191-F204 HydrophobicContact CD1-CZ 3.81Å; L191-F204 HydrophobicContact CD2-CE1 4.48Å; L191-F204 HydrophobicContact CG-CE1 4.09Å; L191-F204 HydrophobicContact CG-CZ 4.21Å; L201-F204 HydrophobicContact CD2-CB 3.83Å; L201-F204 HydrophobicContact CD2-CD2 3.83Å; L201-F204 HydrophobicContact CD2-CG 4.04Å; L201-F204 HydrophobicContact CG-CB 4.41Å; F204-A206 HydrophobicContact CE1-CB 3.75Å; F204-A206 HydrophobicContact CZ-CB 4.01Å; F204-L220 HydrophobicContact CD1-CD1 3.76Å; F204-L220 HydrophobicContact CE1-CD1 3.93Å; F204-L227 HydrophobicContact CB-CD1 4.17Å; F204-L229 PolarHBondContact N-O 3.49Å; F204-L230 HydrophobicContact CB-CD1 4.29Å; F204-L230 HydrophobicContact CD1-CD1 3.76Å; F204-L230 WeakPolarHBondContact O-CA 3.25Å; F204-N231 PolarHBondContact O-N 3.39Å
205	R	98.8	Very high	97.6	Very high	76 Å²	76	55.6 Å²	55.6	29%	0.287	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	129.7	174.4	-60.2	-169.1	171.9	88.3	-2.9	109.8	L179 D180 V181 L229 N231	L179-R205 PolarHBondContact O-N 3.43Å; D180-R205 WeakPolarHBondContact CA-O 3.46Å; D180-R205 HydrophobicContact CB-CB 4.21Å; D180-R205 WeakPolarHBondContact OD2-CD 3.35Å; V181-R205 WeakPolarHBondContact CG2-O 3.47Å; V181-R205 PolarHBondContact N-O 3.3Å; R205-L229 HydrophobicContact CG-CD2 3.79Å; R205-N231 HydrophobicContact CB-CB 4.34Å; R205-N231 HydrophobicContact CG-CB 3.93Å
206	A	98.4	Very high	97.6	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	26%	0.257	C	S	.	.			trans	-140.4	46.6	176	0	0	0	0	0	110.3	V181 F204 G208 C209 I212 N231 L232 C235	V181-A206 HydrophobicContact CG2-CB 3.88Å; F204-A206 HydrophobicContact CE1-CB 3.75Å; F204-A206 HydrophobicContact CZ-CB 4.01Å; A206-G208 PolarHBondContact O-N 3.34Å; A206-C209 HydrophobicContact CB-CB 4.19Å; A206-C209 VanDerWaalsContact O-CB 3.31Å; A206-C209 WeakPolarHBondContact O-CB 3.34Å; A206-C209 PolarHBondContact O-N 2.88Å; A206-C209 PolarHBondContact O-SG 3.28Å; A206-C209 VanDerWaalsContact O-SG 3.39Å; A206-I212 HydrophobicContact CB-CD1 3.47Å; A206-I212 VanDerWaalsContact CB-CD1 3.47Å; A206-N231 PolarHBondContact N-O 3Å; A206-L232 HydrophobicContact CB-CD2 4.11Å; A206-C235 PolarHBondContact O-SG 3.32Å
207	I	98.5	Very high	97.6	Very high	35 Å²	35	48.6 Å²	48.6	18%	0.179	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	135	-177.2	-58.5	168.4	0	0	0	109.4	S182 W183 C209 N231 N233 Y234	S182-I207 CarbonylContact C-O 3.49Å; S182-I207 WeakPolarHBondContact CA-O 3.44Å; S182-I207 PolarHBondContact OG-N 3.32Å; S182-I207 VanDerWaalsContact OG-N 3.13Å; W183-I207 HydrophobicContact CZ2-CG2 4.02Å; W183-I207 PolarHBondContact N-O 3.13Å; I207-C209 PolarHBondContact O-N 3.1Å; I207-N231 HydrophobicContact CG1-CB 4.36Å; I207-N231 VanDerWaalsContact CG1-OD1 3.3Å; I207-N231 WeakPolarHBondContact CG1-OD1 3.41Å; I207-N233 CarbonylContact C-O 3.48Å; I207-N233 WeakPolarHBondContact CA-O 3.37Å; I207-N233 HydrophobicContact CG2-CB 4.26Å; I207-N233 WeakPolarHBondContact CG2-O 3.27Å; I207-Y234 HydrophobicContact CG2-CD2 4.01Å
208	G	97.7	Very high	97.7	Very high	10 Å²	10	50 Å²	50	10%	0.103	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.5	6.6	176.4	0	0	0	0	0	115.5	A206 Q210 N233 Y234	A206-G208 PolarHBondContact O-N 3.34Å; G208-Q210 PolarHBondContact O-N 3.25Å; G208-Q210 VanDerWaalsContact O-N 3.12Å; G208-N233 PolarHBondContact N-O 3.22Å; G208-Y234 WeakPolarHBondContact CA-O 3.22Å
209	C	97.6	Very high	97.7	Very high	1 Å²	1	50.9 Å²	50.9	1%	0.007	24%	0.235	C	C	.	.			trans	-80.4	89.4	175	-62.5	0	0	0	0	109.3	V181 A206 I207 E211 I212 C235	V181-C209 PolarHBondContact O-SG 3.05Å; V181-C209 VanDerWaalsContact O-SG 3.34Å; A206-C209 HydrophobicContact CB-CB 4.19Å; A206-C209 VanDerWaalsContact O-CB 3.31Å; A206-C209 WeakPolarHBondContact O-CB 3.34Å; A206-C209 PolarHBondContact O-N 2.88Å; A206-C209 PolarHBondContact O-SG 3.28Å; A206-C209 VanDerWaalsContact O-SG 3.39Å; I207-C209 PolarHBondContact O-N 3.1Å; C209-E211 PolarHBondContact O-N 3.17Å; C209-I212 HydrophobicContact CB-CD1 3.56Å; C209-I212 HydrophobicContact CB-CG1 4.04Å; C209-I212 PolarHBondContact O-N 3.39Å; C209-C235 PolarHBondContact O-SG 2.98Å
210	Q	96	Very high	97.8	Very high	147 Å²	147	44.4 Å²	44.4	69%	0.687	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-10.1	-169.3	-66.1	-179.8	-1.8	0	0	115.2	G208 I212 C235	G208-Q210 PolarHBondContact O-N 3.25Å; G208-Q210 VanDerWaalsContact O-N 3.12Å; Q210-I212 VanDerWaalsContact C-N 3.34Å; Q210-C235 WeakPolarHBondContact CA-O 3.31Å
211	E	96.7	Very high	97.9	Very high	127 Å²	127	41.4 Å²	41.4	59%	0.593	19%	0.186	S	C	*	.	B	Isolated β-bridge	trans	-88.3	-3.1	177.6	-62.6	-175.8	-170.9	0	0	112.9	C209	C209-E211 PolarHBondContact O-N 3.17Å
212	I	98	Very high	97.8	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	21%	0.213	C	C	.	.			trans	-79.4	132.7	175.6	-65.6	175.4	0	0	0	109.9	L191 A206 C209 Q210 V217 L232 V239	L191-I212 HydrophobicContact CD1-CD1 3.58Å; L191-I212 HydrophobicContact CD1-CG1 3.91Å; L191-I212 HydrophobicContact CD2-CB 4.44Å; L191-I212 HydrophobicContact CD2-CD1 3.94Å; L191-I212 HydrophobicContact CD2-CG1 4.02Å; L191-I212 HydrophobicContact CD2-CG2 3.63Å; L191-I212 HydrophobicContact CG-CD1 4.41Å; A206-I212 HydrophobicContact CB-CD1 3.47Å; A206-I212 VanDerWaalsContact CB-CD1 3.47Å; C209-I212 HydrophobicContact CB-CD1 3.56Å; C209-I212 HydrophobicContact CB-CG1 4.04Å; C209-I212 PolarHBondContact O-N 3.39Å; Q210-I212 VanDerWaalsContact C-N 3.34Å; I212-V217 HydrophobicContact CG2-CG2 4.35Å; I212-L232 HydrophobicContact CD1-CD2 4.31Å; I212-L232 HydrophobicContact CG2-CD2 4.43Å; I212-V239 HydrophobicContact CG2-CG2 4.18Å
213	T	98.2	Very high	97.8	Very high	48 Å²	48	47.4 Å²	47.4	29%	0.294	21%	0.208	S	C	.	.			trans	-123.2	175.3	174.7	81.7	0	0	0	0	112.1	D188 R215 G216 V217 G238	D188-T213 PolarHBondContact OD1-N 3.25Å; D188-T213 PolarHBondContact OD1-OG1 2.87Å; D188-T213 PolarHBondContact OD2-OG1 2.82Å; T213-R215 PolarHBondContact O-N 2.92Å; T213-R215 WeakPolarHBondContact OG1-CB 3.41Å; T213-R215 PolarHBondContact OG1-N 3.3Å; T213-G216 PolarHBondContact O-N 3.42Å; T213-V217 PolarHBondContact O-N 2.86Å; T213-G238 CarbonylContact C-O 3.47Å; T213-G238 VanDerWaalsContact CA-O 3.23Å; T213-G238 WeakPolarHBondContact CA-O 3.37Å; T213-G238 WeakPolarHBondContact CB-O 3.4Å
214	S	97.8	Very high	97.7	Very high	2 Å²	2	42.5 Å²	42.5	1%	0.014	19%	0.189	C	C	.	.	H	α-helix	trans	-51.6	-28.3	172	-61.8	0	0	0	0	113.4	V217 E218 G238 T240 A243	S214-V217 PolarHBondContact O-N 3.27Å; S214-E218 PolarHBondContact O-N 3.33Å; S214-G238 PolarHBondContact N-O 2.81Å; S214-G238 PolarHBondContact OG-O 2.89Å; S214-T240 PolarHBondContact OG-N 2.81Å; S214-T240 PolarHBondContact OG-OG1 2.94Å; S214-A243 PolarHBondContact OG-N 2.97Å
215	R	97.3	Very high	97.5	Very high	172 Å²	172	47.8 Å²	47.8	65%	0.649	21%	0.214	S	C	*	.	H	α-helix	trans	-69	-39.4	176.1	-175.9	-179.5	178.7	175.2	0	113	T213 V217 E218 Q219	T213-R215 PolarHBondContact O-N 2.92Å; T213-R215 WeakPolarHBondContact OG1-CB 3.41Å; T213-R215 PolarHBondContact OG1-N 3.3Å; R215-V217 VanDerWaalsContact C-N 3.32Å; R215-E218 WeakPolarHBondContact O-CB 3.33Å; R215-E218 PolarHBondContact O-N 2.92Å; R215-Q219 PolarHBondContact O-N 3.26Å
216	G	97.7	Very high	97.4	Very high	0 Å²	0	46 Å²	46	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-64.5	-40.7	173.2	0	0	0	0	0	111.4	D188 T213 Q219 L220	D188-G216 VanDerWaalsContact CG-N 3.33Å; D188-G216 WeakPolarHBondContact OD1-CA 3.47Å; D188-G216 PolarHBondContact OD1-N 3.22Å; T213-G216 PolarHBondContact O-N 3.42Å; G216-Q219 PolarHBondContact O-N 3.28Å; G216-L220 PolarHBondContact O-N 2.98Å
217	V	98.2	Very high	97.4	Very high	0 Å²	0	46 Å²	46	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-66	-37.3	176.6	-174.9	0	0	0	0	111.9	I212 T213 S214 R215 Q219 L220 A221 L230 L232 A243 L247	I212-V217 HydrophobicContact CG2-CG2 4.35Å; T213-V217 PolarHBondContact O-N 2.86Å; S214-V217 PolarHBondContact O-N 3.27Å; R215-V217 VanDerWaalsContact C-N 3.32Å; V217-Q219 VanDerWaalsContact C-N 3.27Å; V217-Q219 PolarHBondContact O-N 3.21Å; V217-L220 WeakPolarHBondContact O-CB 3.42Å; V217-L220 PolarHBondContact O-N 2.79Å; V217-A221 PolarHBondContact O-N 2.99Å; V217-L230 HydrophobicContact CG1-CD2 4.26Å; V217-L232 HydrophobicContact CG2-CD1 3.53Å; V217-A243 HydrophobicContact CB-CB 3.98Å; V217-A243 HydrophobicContact CG1-CB 3.97Å; V217-A243 HydrophobicContact CG2-CB 4.19Å; V217-L247 HydrophobicContact CG1-CD1 3.95Å; V217-L247 HydrophobicContact CG1-CD2 3.84Å; V217-L247 HydrophobicContact CG1-CG 3.74Å
218	E	97.8	Very high	97.4	Very high	52 Å²	52	45.9 Å²	45.9	24%	0.243	22%	0.218	C	C	.	.	H	α-helix	trans	-53.1	-45.8	171.2	-176.6	-158.7	163.5	0	0	111.1	S214 R215 L220 A221 R222 H246	S214-E218 PolarHBondContact O-N 3.33Å; R215-E218 WeakPolarHBondContact O-CB 3.33Å; R215-E218 PolarHBondContact O-N 2.92Å; E218-L220 PolarHBondContact O-N 2.98Å; E218-A221 PolarHBondContact O-N 2.98Å; E218-R222 VanDerWaalsContact O-CB 3.25Å; E218-R222 WeakPolarHBondContact O-CB 3.38Å; E218-R222 PolarHBondContact O-N 3.34Å; E218-H246 HydrophobicContact CB-CB 4.45Å
219	Q	97.8	Very high	97.5	Very high	19 Å²	19	46.1 Å²	46.1	9%	0.089	22%	0.217	C	C	.	.	H	α-helix	trans	-66.1	-38.8	-178.3	-60.3	-54.7	-64.6	0	0	112.1	T192 A195 R215 G216 V217 R222 H223	T192-Q219 HydrophobicContact CG2-CG 4.16Å; T192-Q219 WeakPolarHBondContact OG1-CG 3.48Å; A195-Q219 HydrophobicContact CB-CB 4.28Å; A195-Q219 WeakPolarHBondContact CB-O 3.33Å; R215-Q219 PolarHBondContact O-N 3.26Å; G216-Q219 PolarHBondContact O-N 3.28Å; V217-Q219 VanDerWaalsContact C-N 3.27Å; V217-Q219 PolarHBondContact O-N 3.21Å; Q219-R222 PolarHBondContact O-N 3.21Å; Q219-H223 PolarHBondContact O-CD2 3.46Å; Q219-H223 PolarHBondContact O-N 3.44Å
220	L	97.8	Very high	97.5	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-60.1	-51.2	171.6	-74	170.7	0	0	0	110.7	L191 A195 L201 F204 G216 V217 E218 R222 H223 C224 L230	L191-L220 HydrophobicContact CD2-CD1 3.92Å; L191-L220 HydrophobicContact CG-CD1 4.1Å; L191-L220 HydrophobicContact CG-CG 4.47Å; A195-L220 HydrophobicContact CB-CD2 4.05Å; L201-L220 HydrophobicContact CD2-CD2 4.18Å; F204-L220 HydrophobicContact CD1-CD1 3.76Å; F204-L220 HydrophobicContact CE1-CD1 3.93Å; G216-L220 PolarHBondContact O-N 2.98Å; V217-L220 WeakPolarHBondContact O-CB 3.42Å; V217-L220 PolarHBondContact O-N 2.79Å; E218-L220 PolarHBondContact O-N 2.98Å; L220-R222 PolarHBondContact O-N 3.36Å; L220-H223 PolarHBondContact O-N 2.87Å; L220-C224 WeakPolarHBondContact O-CA 3.33Å; L220-C224 WeakPolarHBondContact O-CB 3.49Å; L220-C224 PolarHBondContact O-N 3.46Å; L220-L230 HydrophobicContact CD1-CD1 4.31Å
221	A	97.4	Very high	97.7	Very high	4 Å²	4	39.9 Å²	39.9	3%	0.033	19%	0.189	C	C	.	.	H	α-helix	trans	-61.2	-32.7	-179.9	0	0	0	0	0	112.9	V217 E218 H246 L247 G250	V217-A221 PolarHBondContact O-N 2.99Å; E218-A221 PolarHBondContact O-N 2.98Å; A221-H246 HydrophobicContact CB-CB 4.05Å; A221-H246 WeakPolarHBondContact CB-O 3.44Å; A221-L247 HydrophobicContact CB-CD2 4.39Å; A221-G250 VanDerWaalsContact O-CA 3.31Å; A221-G250 WeakPolarHBondContact O-CA 3.26Å
222	R	96.7	Very high	97.8	Very high	151 Å²	151	33.9 Å²	33.9	57%	0.57	16%	0.16	S	C	*	.	H	α-helix	trans	-74	-24.3	-179.6	-174.8	173.9	-179	147.2	1.5	114.2	E218 Q219 L220 H225	E218-R222 VanDerWaalsContact O-CB 3.25Å; E218-R222 WeakPolarHBondContact O-CB 3.38Å; E218-R222 PolarHBondContact O-N 3.34Å; Q219-R222 PolarHBondContact O-N 3.21Å; L220-R222 PolarHBondContact O-N 3.36Å; R222-H225 PolarHBondContact O-CE1 2.93Å
223	H	97.1	Very high	97.8	Very high	48 Å²	48	34.6 Å²	34.6	22%	0.222	16%	0.164	C	C	.	.	H	α-helix	trans	-122	-30.5	-171.6	-65.5	-57.7	0	0	0	114.1	A195 Q219 L220	A195-H223 HydrophobicContact CB-CB 4.18Å; A195-H223 WeakPolarHBondContact O-CB 3.45Å; Q219-H223 PolarHBondContact O-CD2 3.46Å; Q219-H223 PolarHBondContact O-N 3.44Å; L220-H223 PolarHBondContact O-N 2.87Å
224	C	96.9	Very high	97.7	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	17%	0.17	C	C	.	.			trans	-104.3	62	-175.3	-57	0	0	0	0	111.3	L201 L220 G226 L227	L201-C224 HydrophobicContact CB-CB 4.4Å; L220-C224 WeakPolarHBondContact O-CA 3.33Å; L220-C224 WeakPolarHBondContact O-CB 3.49Å; L220-C224 PolarHBondContact O-N 3.46Å; C224-G226 PolarHBondContact O-N 3.48Å; C224-G226 VanDerWaalsContact O-N 3.08Å; C224-L227 WeakPolarHBondContact O-CB 3.4Å; C224-L227 PolarHBondContact O-N 2.97Å; C224-L227 VanDerWaalsContact O-N 3.09Å
225	H	96	Very high	97.7	Very high	111 Å²	111	37.2 Å²	37.2	51%	0.514	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-19.5	-175.8	-53.6	88.7	0	0	0	114.3	R222 L227 G250	R222-H225 PolarHBondContact O-CE1 2.93Å; H225-L227 VanDerWaalsContact C-N 3.31Å; H225-G250 WeakPolarHBondContact CA-O 3.39Å; H225-G250 PolarHBondContact CD2-O 3.38Å
226	G	96.5	Very high	97.2	Very high	38 Å²	38	30 Å²	30	39%	0.392	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	15.9	176.7	0	0	0	0	0	114.5	C224 L228	C224-G226 PolarHBondContact O-N 3.48Å; C224-G226 VanDerWaalsContact O-N 3.08Å; G226-L228 PolarHBondContact O-N 2.83Å
227	L	98.2	Very high	97	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.18	C	C	.	.			trans	-66.8	119.5	-178.7	-163.7	69.8	0	0	0	110.6	L201 F204 C224 H225 L230 C251 L254	L201-L227 HydrophobicContact CG-CD1 4.46Å; F204-L227 HydrophobicContact CB-CD1 4.17Å; C224-L227 WeakPolarHBondContact O-CB 3.4Å; C224-L227 PolarHBondContact O-N 2.97Å; C224-L227 VanDerWaalsContact O-N 3.09Å; H225-L227 VanDerWaalsContact C-N 3.31Å; L227-L230 HydrophobicContact CD2-CB 3.96Å; L227-L230 HydrophobicContact CD2-CD1 4.44Å; L227-L230 HydrophobicContact CD2-CD2 4.25Å; L227-L230 HydrophobicContact CD2-CG 4.46Å; L227-C251 HydrophobicContact CB-CB 4.42Å; L227-L254 HydrophobicContact CD2-CD1 4.33Å; L227-L254 HydrophobicContact CG-CD1 4.16Å; L227-L254 WeakPolarHBondContact O-CA 3.2Å
228	L	98.6	Very high	96.9	Very high	33 Å²	33	38.2 Å²	38.2	17%	0.173	19%	0.194	C	C	.	.			trans	-103.3	-29	179.6	-58.2	-179.7	0	0	0	112.3	Q202 G226 D253 R255 V256	Q202-L228 HydrophobicContact CB-CD1 4.43Å; Q202-L228 HydrophobicContact CB-CG 4.41Å; Q202-L228 WeakPolarHBondContact O-CA 3.5Å; Q202-L228 PolarHBondContact O-N 3.48Å; G226-L228 PolarHBondContact O-N 2.83Å; L228-D253 HydrophobicContact CD2-CB 4.11Å; L228-D253 WeakPolarHBondContact CD2-O 3.35Å; L228-R255 HydrophobicContact CD2-CG 4.38Å; L228-R255 WeakPolarHBondContact O-CA 3.3Å; L228-R255 WeakPolarHBondContact O-CB 3.38Å; L228-R255 PolarHBondContact O-N 3.41Å; L228-V256 PolarHBondContact O-N 3.24Å
229	L	98.8	Very high	96.9	Very high	16 Å²	16	35.7 Å²	35.7	8%	0.084	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	126.5	179.7	-177.7	152.3	0	0	0	110.4	Q202 R203 F204 R205 N231 V256	Q202-L229 PolarHBondContact O-N 3.26Å; R203-L229 WeakPolarHBondContact CA-O 3.24Å; R203-L229 HydrophobicContact CB-CB 4.1Å; R203-L229 HydrophobicContact CB-CD2 4.41Å; R203-L229 HydrophobicContact CG-CB 3.96Å; F204-L229 PolarHBondContact N-O 3.49Å; R205-L229 HydrophobicContact CG-CD2 3.79Å; L229-N231 HydrophobicContact CD2-CB 4.42Å; L229-V256 WeakPolarHBondContact CA-O 3.5Å; L229-V256 HydrophobicContact CB-CB 4.04Å; L229-V256 HydrophobicContact CD1-CB 3.85Å; L229-V256 HydrophobicContact CD1-CG1 3.82Å; L229-V256 HydrophobicContact CD1-CG2 4.08Å; L229-V256 HydrophobicContact CG-CB 3.72Å; L229-V256 HydrophobicContact CG-CG1 3.81Å; L229-V256 HydrophobicContact CG-CG2 4.44Å
230	L	98.8	Very high	96.9	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	121.1	170	-179.4	57.9	0	0	0	109.3	F204 V217 L220 L227 L232 L247 L254 V256 L257 A258	F204-L230 HydrophobicContact CB-CD1 4.29Å; F204-L230 HydrophobicContact CD1-CD1 3.76Å; F204-L230 WeakPolarHBondContact O-CA 3.25Å; V217-L230 HydrophobicContact CG1-CD2 4.26Å; L220-L230 HydrophobicContact CD1-CD1 4.31Å; L227-L230 HydrophobicContact CD2-CB 3.96Å; L227-L230 HydrophobicContact CD2-CD1 4.44Å; L227-L230 HydrophobicContact CD2-CD2 4.25Å; L227-L230 HydrophobicContact CD2-CG 4.46Å; L230-L232 HydrophobicContact CD1-CD1 4.16Å; L230-L232 HydrophobicContact CD1-CD2 4.02Å; L230-L232 HydrophobicContact CD1-CG 3.87Å; L230-L232 HydrophobicContact CD2-CD1 3.95Å; L230-L232 HydrophobicContact CD2-CG 4.41Å; L230-L232 HydrophobicContact CG-CD1 4.06Å; L230-L232 HydrophobicContact CG-CG 3.96Å; L230-L247 HydrophobicContact CD2-CD1 3.69Å; L230-L247 HydrophobicContact CD2-CD2 3.64Å; L230-L247 HydrophobicContact CD2-CG 4.29Å; L230-L254 HydrophobicContact CB-CD1 4.23Å; L230-V256 PolarHBondContact N-O 3.19Å; L230-L257 HydrophobicContact CB-CD1 4.41Å; L230-L257 HydrophobicContact CD2-CD1 4.41Å; L230-A258 PolarHBondContact O-N 2.68Å
231	N	98.7	Very high	96.9	Very high	17 Å²	17	38 Å²	38	9%	0.091	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	114.7	173.2	-166.6	-31.5	0	0	0	110.8	F204 R205 A206 I207 L229 N233 A258	F204-N231 PolarHBondContact O-N 3.39Å; R205-N231 HydrophobicContact CB-CB 4.34Å; R205-N231 HydrophobicContact CG-CB 3.93Å; A206-N231 PolarHBondContact N-O 3Å; I207-N231 HydrophobicContact CG1-CB 4.36Å; I207-N231 VanDerWaalsContact CG1-OD1 3.3Å; I207-N231 WeakPolarHBondContact CG1-OD1 3.41Å; L229-N231 HydrophobicContact CD2-CB 4.42Å; N231-N233 WeakPolarHBondContact OD1-CB 3.38Å; N231-N233 VanDerWaalsContact OD1-CG 3.28Å; N231-N233 PolarHBondContact OD1-N 2.95Å; N231-A258 HydrophobicContact CB-CB 4.05Å; N231-A258 VanDerWaalsContact CG-CB 3.47Å; N231-A258 WeakPolarHBondContact ND2-CB 3.18Å
232	L	98.5	Very high	96.9	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.208	C	C	.	.			trans	-124.9	23.5	179.2	-59.8	176	0	0	0	111.1	A206 I212 V217 L230 Y234 C235 V239 A258 I259	A206-L232 HydrophobicContact CB-CD2 4.11Å; I212-L232 HydrophobicContact CD1-CD2 4.31Å; I212-L232 HydrophobicContact CG2-CD2 4.43Å; V217-L232 HydrophobicContact CG2-CD1 3.53Å; L230-L232 HydrophobicContact CD1-CD1 4.16Å; L230-L232 HydrophobicContact CD1-CD2 4.02Å; L230-L232 HydrophobicContact CD1-CG 3.87Å; L230-L232 HydrophobicContact CD2-CD1 3.95Å; L230-L232 HydrophobicContact CD2-CG 4.41Å; L230-L232 HydrophobicContact CG-CD1 4.06Å; L230-L232 HydrophobicContact CG-CG 3.96Å; L232-Y234 PolarHBondContact O-N 2.89Å; L232-C235 HydrophobicContact CB-CB 4.38Å; L232-C235 WeakPolarHBondContact O-CB 3.22Å; L232-C235 PolarHBondContact O-N 2.83Å; L232-C235 VanDerWaalsContact O-N 3.14Å; L232-C235 PolarHBondContact O-SG 3.2Å; L232-C235 VanDerWaalsContact O-SG 3.39Å; L232-V239 HydrophobicContact CD1-CG1 4.32Å; L232-V239 HydrophobicContact CD1-CG2 4.49Å; L232-A258 PolarHBondContact N-O 3.43Å; L232-I259 HydrophobicContact CB-CG2 4.38Å
233	N	98.4	Very high	97	Very high	15 Å²	15	33.2 Å²	33.2	8%	0.08	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.7	138.6	175.3	-71.2	-9.1	0	0	0	109.4	I207 G208 N231 C235 A258 I259 S260 E360	I207-N233 CarbonylContact C-O 3.48Å; I207-N233 WeakPolarHBondContact CA-O 3.37Å; I207-N233 HydrophobicContact CG2-CB 4.26Å; I207-N233 WeakPolarHBondContact CG2-O 3.27Å; G208-N233 PolarHBondContact N-O 3.22Å; N231-N233 WeakPolarHBondContact OD1-CB 3.38Å; N231-N233 VanDerWaalsContact OD1-CG 3.28Å; N231-N233 PolarHBondContact OD1-N 2.95Å; N233-C235 PolarHBondContact O-N 2.87Å; N233-A258 PolarHBondContact N-O 3.08Å; N233-A258 WeakPolarHBondContact OD1-CA 3.49Å; N233-A258 WeakPolarHBondContact OD1-CB 3.32Å; N233-A258 PolarHBondContact OD1-O 2.87Å; N233-I259 PolarHBondContact OD1-N 3.19Å; N233-S260 WeakPolarHBondContact CA-O 3.41Å; N233-S260 WeakPolarHBondContact OD1-CB 3.45Å; N233-S260 PolarHBondContact OD1-N 3.42Å; N233-S260 PolarHBondContact OD1-OG 3.19Å; N233-E360 PolarHBondContact ND2-OE2 3.18Å
234	Y	97.3	Very high	97	Very high	105 Å²	105	31 Å²	31	41%	0.412	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.4	15.8	178.8	-51.7	-91.4	0	0	0	115.9	I207 G208 L232 G236 S260 H261	I207-Y234 HydrophobicContact CG2-CD2 4.01Å; G208-Y234 WeakPolarHBondContact CA-O 3.22Å; L232-Y234 PolarHBondContact O-N 2.89Å; Y234-G236 PolarHBondContact O-N 3.08Å; Y234-S260 PolarHBondContact N-O 3.26Å; Y234-H261 HydrophobicContact CD1-CB 4.21Å; Y234-H261 AromaticContact CD1-CD2 3.57Å; Y234-H261 AromaticContact CD1-CG 3.79Å; Y234-H261 AromaticContact CD1-NE2 3.78Å; Y234-H261 AromaticContact CE1-CD2 3.15Å; Y234-H261 WeakPolarHBondContact CE1-CD2 3.4Å; Y234-H261 AromaticContact CE1-CE1 3.5Å; Y234-H261 AromaticContact CE1-CG 3.77Å; Y234-H261 AromaticContact CE1-ND1 3.98Å; Y234-H261 AromaticContact CE1-NE2 2.95Å; Y234-H261 WeakPolarHBondContact CE1-NE2 3.31Å; Y234-H261 AromaticContact CZ-CD2 3.45Å; Y234-H261 VanDerWaalsContact CZ-CD2 3.45Å; Y234-H261 AromaticContact CZ-NE2 3.34Å; Y234-H261 VanDerWaalsContact CZ-NE2 3.34Å; Y234-H261 PolarHBondContact OH-NE2 2.82Å
235	C	96.1	Very high	97	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.17	C	C	.	.			trans	-68	-9.3	169.6	-77	0	0	0	0	113.2	A206 C209 Q210 L232 N233 V239	A206-C235 PolarHBondContact O-SG 3.32Å; C209-C235 PolarHBondContact O-SG 2.98Å; Q210-C235 WeakPolarHBondContact CA-O 3.31Å; L232-C235 HydrophobicContact CB-CB 4.38Å; L232-C235 WeakPolarHBondContact O-CB 3.22Å; L232-C235 PolarHBondContact O-N 2.83Å; L232-C235 VanDerWaalsContact O-N 3.14Å; L232-C235 PolarHBondContact O-SG 3.2Å; L232-C235 VanDerWaalsContact O-SG 3.39Å; N233-C235 PolarHBondContact O-N 2.87Å; C235-V239 HydrophobicContact CB-CG2 3.89Å
236	G	88.4	Confident	97.1	Very high	20 Å²	20	26.7 Å²	26.7	21%	0.206	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	82.9	-152.4	173	0	0	0	0	0	113.6	Y234 G238 P263	Y234-G236 PolarHBondContact O-N 3.08Å; G236-G238 VanDerWaalsContact C-N 3.34Å; G236-G238 PolarHBondContact O-N 2.94Å; G236-P263 WeakPolarHBondContact O-CD 3.12Å
237	Q	93.3	Very high	97.2	Very high	144 Å²	144	24.9 Å²	24.9	67%	0.673	13%	0.132	S	C	*	.	G	3₁₀ helix	trans	-80.2	-9.9	-166.1	-61.5	-62.4	-50.4	0	0	114.7
238	G	96	Very high	97.1	Very high	29 Å²	29	24.9 Å²	24.9	30%	0.299	13%	0.132	S	C	.	.	G	3₁₀ helix	trans	-75.5	-21.3	-178.1	0	0	0	0	0	114.4	T213 S214 G236	T213-G238 CarbonylContact C-O 3.47Å; T213-G238 VanDerWaalsContact CA-O 3.23Å; T213-G238 WeakPolarHBondContact CA-O 3.37Å; T213-G238 WeakPolarHBondContact CB-O 3.4Å; S214-G238 PolarHBondContact N-O 2.81Å; S214-G238 PolarHBondContact OG-O 2.89Å; G236-G238 VanDerWaalsContact C-N 3.34Å; G236-G238 PolarHBondContact O-N 2.94Å
239	V	97.6	Very high	97	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.138	C	C	.	.			trans	-95.7	107.5	-179.9	-179.4	0	0	0	0	108.9	I212 L232 C235 A243 C262 P263	I212-V239 HydrophobicContact CG2-CG2 4.18Å; L232-V239 HydrophobicContact CD1-CG1 4.32Å; L232-V239 HydrophobicContact CD1-CG2 4.49Å; C235-V239 HydrophobicContact CB-CG2 3.89Å; V239-A243 HydrophobicContact CG1-CB 3.91Å; V239-C262 HydrophobicContact CB-CB 4.34Å; V239-P263 VanDerWaalsContact O-CD 3.31Å; V239-P263 WeakPolarHBondContact O-CD 3.01Å
240	T	97.8	Very high	96.8	Very high	48 Å²	48	25.8 Å²	25.8	29%	0.294	14%	0.138	S	C	.	.			trans	-118.6	-175.6	-171.8	66.9	0	0	0	0	111.6	S214 E242 A243 P263 I264	S214-T240 PolarHBondContact OG-N 2.81Å; S214-T240 PolarHBondContact OG-OG1 2.94Å; T240-E242 PolarHBondContact O-N 3.13Å; T240-E242 VanDerWaalsContact O-N 3.08Å; T240-E242 PolarHBondContact OG1-N 3.47Å; T240-A243 VanDerWaalsContact O-CB 3.27Å; T240-A243 WeakPolarHBondContact O-CB 3.45Å; T240-A243 PolarHBondContact O-N 3.33Å; T240-P263 HydrophobicContact CG2-CG 4.32Å; T240-I264 VanDerWaalsContact C-CD1 3.5Å
241	D	97.9	Very high	96.7	Very high	19 Å²	19	25.8 Å²	25.8	10%	0.102	14%	0.138	C	C	.	.	H	α-helix	trans	-55.3	-24	173.8	-65.2	-20.6	0	0	0	113.6	A243 M244 V245 T265 G268 I284	D241-A243 VanDerWaalsContact C-N 3.3Å; D241-A243 PolarHBondContact O-N 3.13Å; D241-M244 WeakPolarHBondContact O-CB 3.36Å; D241-M244 PolarHBondContact O-N 2.85Å; D241-M244 VanDerWaalsContact O-N 3.09Å; D241-V245 PolarHBondContact O-N 2.91Å; D241-T265 PolarHBondContact OD1-N 3.41Å; D241-T265 WeakPolarHBondContact OD2-CB 3.47Å; D241-T265 PolarHBondContact OD2-OG1 3.28Å; D241-G268 VanDerWaalsContact CG-N 3.33Å; D241-G268 VanDerWaalsContact OD1-CA 3.31Å; D241-G268 WeakPolarHBondContact OD1-CA 3.36Å; D241-G268 PolarHBondContact OD1-N 2.79Å; D241-I284 HydrophobicContact CB-CD1 4.38Å; D241-I284 HydrophobicContact CB-CG2 3.91Å
242	E	97.5	Very high	96.5	Very high	55 Å²	55	27.4 Å²	27.4	26%	0.257	15%	0.15	S	C	.	.	H	α-helix	trans	-58.5	-42.1	173	179.3	-175.6	-177.9	0	0	111.6	T240 M244 V245 H246 I284 V285	T240-E242 PolarHBondContact O-N 3.13Å; T240-E242 VanDerWaalsContact O-N 3.08Å; T240-E242 PolarHBondContact OG1-N 3.47Å; E242-M244 PolarHBondContact O-N 3.1Å; E242-V245 PolarHBondContact O-N 2.94Å; E242-H246 PolarHBondContact O-CD2 3.26Å; E242-H246 PolarHBondContact O-N 2.99Å; E242-H246 IonicContact OE1-NE2 2.72Å; E242-I284 HydrophobicContact CB-CG2 4.19Å; E242-V285 HydrophobicContact CG-CG2 4.23Å
243	A	97.8	Very high	96.4	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-58.6	-40.8	174.9	0	0	0	0	0	111.1	S214 V217 V239 T240 D241 H246 L247	S214-A243 PolarHBondContact OG-N 2.97Å; V217-A243 HydrophobicContact CB-CB 3.98Å; V217-A243 HydrophobicContact CG1-CB 3.97Å; V217-A243 HydrophobicContact CG2-CB 4.19Å; V239-A243 HydrophobicContact CG1-CB 3.91Å; T240-A243 VanDerWaalsContact O-CB 3.27Å; T240-A243 WeakPolarHBondContact O-CB 3.45Å; T240-A243 PolarHBondContact O-N 3.33Å; D241-A243 VanDerWaalsContact C-N 3.3Å; D241-A243 PolarHBondContact O-N 3.13Å; A243-H246 PolarHBondContact O-N 3.37Å; A243-L247 VanDerWaalsContact O-CG 3.3Å; A243-L247 WeakPolarHBondContact O-CG 3.33Å; A243-L247 PolarHBondContact O-N 3.39Å
244	M	97.9	Very high	96.4	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-67.4	-40	-179.6	-60.5	-56.6	101.7	0	0	111.7	D241 E242 L247 S248 L257 I259 I264 G268 A271 I272	D241-M244 WeakPolarHBondContact O-CB 3.36Å; D241-M244 PolarHBondContact O-N 2.85Å; D241-M244 VanDerWaalsContact O-N 3.09Å; E242-M244 PolarHBondContact O-N 3.1Å; M244-L247 HydrophobicContact CE-CD1 3.69Å; M244-L247 PolarHBondContact O-N 3.29Å; M244-L247 HydrophobicContact SD-CD1 4.49Å; M244-S248 VanDerWaalsContact O-CB 3.31Å; M244-S248 WeakPolarHBondContact O-CB 3.38Å; M244-S248 PolarHBondContact O-N 3.14Å; M244-S248 PolarHBondContact O-OG 3.3Å; M244-L257 HydrophobicContact CE-CD2 4.48Å; M244-L257 HydrophobicContact SD-CD2 3.78Å; M244-I259 HydrophobicContact CE-CD1 4.09Å; M244-I259 HydrophobicContact CE-CG2 4.04Å; M244-I259 HydrophobicContact SD-CD1 3.67Å; M244-I264 HydrophobicContact CG-CD1 4.23Å; M244-I264 HydrophobicContact CG-CG2 4.35Å; M244-G268 WeakPolarHBondContact CB-O 3.45Å; M244-A271 HydrophobicContact CB-CB 4.26Å; M244-I272 HydrophobicContact CB-CD1 4.06Å; M244-I272 HydrophobicContact CB-CG1 4Å; M244-I272 HydrophobicContact CG-CG1 4.25Å; M244-I272 HydrophobicContact SD-CD1 3.8Å; M244-I272 HydrophobicContact SD-CG1 3.71Å
245	V	97.7	Very high	96.5	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-58.8	-48.2	172.6	175.2	0	0	0	0	110.3	D241 E242 L247 S248 I249 A271 L276 A281 I284 V285 L348	D241-V245 PolarHBondContact O-N 2.91Å; E242-V245 PolarHBondContact O-N 2.94Å; V245-L247 PolarHBondContact O-N 3.13Å; V245-S248 PolarHBondContact O-N 3.37Å; V245-S248 PolarHBondContact O-OG 3.36Å; V245-I249 HydrophobicContact CG1-CD1 3.99Å; V245-I249 WeakPolarHBondContact O-CG1 3.12Å; V245-I249 PolarHBondContact O-N 3.02Å; V245-A271 HydrophobicContact CG2-CB 3.94Å; V245-L276 HydrophobicContact CG2-CD2 3.9Å; V245-A281 HydrophobicContact CG1-CB 3.93Å; V245-A281 HydrophobicContact CG2-CB 4.32Å; V245-I284 HydrophobicContact CG2-CB 4.37Å; V245-I284 HydrophobicContact CG2-CD1 4.33Å; V245-I284 HydrophobicContact CG2-CG2 4.12Å; V245-V285 HydrophobicContact CB-CG2 3.98Å; V245-V285 HydrophobicContact CG1-CG2 3.62Å; V245-V285 HydrophobicContact CG2-CG2 4.47Å; V245-L348 HydrophobicContact CG1-CD2 4.33Å
246	H	97.3	Very high	96.6	Very high	21 Å²	21	33.4 Å²	33.4	10%	0.097	18%	0.18	C	C	.	.	H	α-helix	trans	-62.8	-45	179.1	-68.7	-52.7	0	0	0	113.1	E218 A221 E242 A243 S248 I249 G250	E218-H246 HydrophobicContact CB-CB 4.45Å; A221-H246 HydrophobicContact CB-CB 4.05Å; A221-H246 WeakPolarHBondContact CB-O 3.44Å; E242-H246 PolarHBondContact O-CD2 3.26Å; E242-H246 PolarHBondContact O-N 2.99Å; E242-H246 IonicContact OE1-NE2 2.72Å; A243-H246 PolarHBondContact O-N 3.37Å; H246-S248 VanDerWaalsContact C-N 3.35Å; H246-S248 PolarHBondContact O-N 2.9Å; H246-I249 PolarHBondContact O-N 3.04Å; H246-G250 PolarHBondContact O-N 3.01Å
247	L	97.8	Very high	97.1	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-61.9	-41.9	177.4	-69.7	170.7	0	0	0	112.2	V217 A221 L230 A243 M244 V245 I249 G250 C251 L257 I272	V217-L247 HydrophobicContact CG1-CD1 3.95Å; V217-L247 HydrophobicContact CG1-CD2 3.84Å; V217-L247 HydrophobicContact CG1-CG 3.74Å; A221-L247 HydrophobicContact CB-CD2 4.39Å; L230-L247 HydrophobicContact CD2-CD1 3.69Å; L230-L247 HydrophobicContact CD2-CD2 3.64Å; L230-L247 HydrophobicContact CD2-CG 4.29Å; A243-L247 VanDerWaalsContact O-CG 3.3Å; A243-L247 WeakPolarHBondContact O-CG 3.33Å; A243-L247 PolarHBondContact O-N 3.39Å; M244-L247 HydrophobicContact CE-CD1 3.69Å; M244-L247 PolarHBondContact O-N 3.29Å; M244-L247 HydrophobicContact SD-CD1 4.49Å; V245-L247 PolarHBondContact O-N 3.13Å; L247-I249 PolarHBondContact O-N 3.22Å; L247-I249 VanDerWaalsContact O-N 3.15Å; L247-G250 PolarHBondContact O-N 3.2Å; L247-C251 HydrophobicContact CD2-CB 4.47Å; L247-C251 WeakPolarHBondContact O-CA 3.38Å; L247-C251 PolarHBondContact O-N 3.07Å; L247-L257 HydrophobicContact CD1-CD1 4.01Å; L247-I272 HydrophobicContact CB-CD1 4.16Å
248	S	96.8	Very high	97.4	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-64	-18.4	179.3	73.4	0	0	0	0	114.4	M244 V245 H246 A271 P350 V351 G352	M244-S248 VanDerWaalsContact O-CB 3.31Å; M244-S248 WeakPolarHBondContact O-CB 3.38Å; M244-S248 PolarHBondContact O-N 3.14Å; M244-S248 PolarHBondContact O-OG 3.3Å; V245-S248 PolarHBondContact O-N 3.37Å; V245-S248 PolarHBondContact O-OG 3.36Å; H246-S248 VanDerWaalsContact C-N 3.35Å; H246-S248 PolarHBondContact O-N 2.9Å; S248-A271 WeakPolarHBondContact CB-O 3.47Å; S248-P350 VanDerWaalsContact OG-CB 3.29Å; S248-P350 WeakPolarHBondContact OG-CB 3.36Å; S248-V351 PolarHBondContact O-N 3.19Å; S248-V351 VanDerWaalsContact O-N 3.12Å; S248-G352 PolarHBondContact O-N 3.29Å; S248-G352 VanDerWaalsContact O-N 3.11Å
249	I	95.8	Very high	97.5	Very high	61 Å²	61	24.2 Å²	24.2	31%	0.313	12%	0.124	S	C	.	.	H	α-helix	trans	-97.4	-45.7	178.1	-64	167.4	0	0	0	110.3	V245 H246 L247 L348	V245-I249 HydrophobicContact CG1-CD1 3.99Å; V245-I249 WeakPolarHBondContact O-CG1 3.12Å; V245-I249 PolarHBondContact O-N 3.02Å; H246-I249 PolarHBondContact O-N 3.04Å; L247-I249 PolarHBondContact O-N 3.22Å; L247-I249 VanDerWaalsContact O-N 3.15Å; I249-L348 HydrophobicContact CD1-CB 4.32Å; I249-L348 HydrophobicContact CD1-CD2 3.58Å
250	G	95.6	Very high	97.5	Very high	8 Å²	8	24.4 Å²	24.4	8%	0.082	13%	0.125	C	C	.	.	H	α-helix	trans	-89.3	-26.5	-170.5	0	0	0	0	0	115.4	A221 H225 H246 L247 P252	A221-G250 VanDerWaalsContact O-CA 3.31Å; A221-G250 WeakPolarHBondContact O-CA 3.26Å; H225-G250 WeakPolarHBondContact CA-O 3.39Å; H225-G250 PolarHBondContact CD2-O 3.38Å; H246-G250 PolarHBondContact O-N 3.01Å; L247-G250 PolarHBondContact O-N 3.2Å; G250-P252 VanDerWaalsContact C-CD 3.49Å; G250-P252 WeakPolarHBondContact O-CD 3.33Å
251	C	96.9	Very high	97.4	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.123	C	C	.	.			trans	-127.6	62	-169.7	-58.3	0	0	0	0	112.3	L227 L247 D253 L254	L227-C251 HydrophobicContact CB-CB 4.42Å; L247-C251 HydrophobicContact CD2-CB 4.47Å; L247-C251 WeakPolarHBondContact O-CA 3.38Å; L247-C251 PolarHBondContact O-N 3.07Å; C251-D253 PolarHBondContact O-N 2.62Å; C251-L254 HydrophobicContact CB-CB 4.45Å; C251-L254 WeakPolarHBondContact O-CB 3.49Å; C251-L254 PolarHBondContact O-N 2.82Å
252	P	94.9	Very high	97.4	Very high	50 Å²	50	23.8 Å²	23.8	33%	0.325	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-23.2	-173.7	27.4	-36.2	0	0	0	114.2	G250 L254	G250-P252 VanDerWaalsContact C-CD 3.49Å; G250-P252 WeakPolarHBondContact O-CD 3.33Å; P252-L254 VanDerWaalsContact C-N 3.34Å
253	D	96.4	Very high	97.3	Very high	87 Å²	87	23.3 Å²	23.3	47%	0.465	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	8.5	-179.2	-72.5	-44.8	0	0	0	114	L228 C251 R255	L228-D253 HydrophobicContact CD2-CB 4.11Å; L228-D253 WeakPolarHBondContact CD2-O 3.35Å; C251-D253 PolarHBondContact O-N 2.62Å; D253-R255 WeakPolarHBondContact O-CG 3.37Å; D253-R255 PolarHBondContact O-N 3.47Å
254	L	98.2	Very high	97.3	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.12	C	C	.	.			trans	-57	128.5	-179.8	-165.7	71.7	0	0	0	110.7	L227 L230 C251 P252 L257 C353 S355 L356	L227-L254 HydrophobicContact CD2-CD1 4.33Å; L227-L254 HydrophobicContact CG-CD1 4.16Å; L227-L254 WeakPolarHBondContact O-CA 3.2Å; L230-L254 HydrophobicContact CB-CD1 4.23Å; C251-L254 HydrophobicContact CB-CB 4.45Å; C251-L254 WeakPolarHBondContact O-CB 3.49Å; C251-L254 PolarHBondContact O-N 2.82Å; P252-L254 VanDerWaalsContact C-N 3.34Å; L254-L257 HydrophobicContact CD2-CB 3.91Å; L254-L257 HydrophobicContact CD2-CD1 4.14Å; L254-L257 HydrophobicContact CD2-CD2 4.38Å; L254-L257 HydrophobicContact CD2-CG 4.37Å; L254-C353 HydrophobicContact CB-CB 4.21Å; L254-S355 CarbonylContact O-C 3.26Å; L254-L356 PolarHBondContact O-N 2.93Å
255	R	98.5	Very high	97.3	Very high	129 Å²	129	25.4 Å²	25.4	49%	0.487	13%	0.133	S	C	.	.			trans	-109.1	-38.2	-177.2	-55.3	-172.5	-174.8	-178.3	0.8	112	L228 D253 T357 T358	L228-R255 HydrophobicContact CD2-CG 4.38Å; L228-R255 WeakPolarHBondContact O-CA 3.3Å; L228-R255 WeakPolarHBondContact O-CB 3.38Å; L228-R255 PolarHBondContact O-N 3.41Å; D253-R255 WeakPolarHBondContact O-CG 3.37Å; D253-R255 PolarHBondContact O-N 3.47Å; R255-T357 HydrophobicContact CB-CG2 4.49Å; R255-T357 PolarHBondContact O-N 3.1Å; R255-T357 PolarHBondContact O-OG1 2.91Å; R255-T357 VanDerWaalsContact O-OG1 3.09Å; R255-T358 PolarHBondContact O-N 2.91Å
256	V	98.8	Very high	97.3	Very high	30 Å²	30	26.4 Å²	26.4	18%	0.182	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	117.7	-179	179.5	0	0	0	0	108.6	L228 L229 L230 T358	L228-V256 PolarHBondContact O-N 3.24Å; L229-V256 WeakPolarHBondContact CA-O 3.5Å; L229-V256 HydrophobicContact CB-CB 4.04Å; L229-V256 HydrophobicContact CD1-CB 3.85Å; L229-V256 HydrophobicContact CD1-CG1 3.82Å; L229-V256 HydrophobicContact CD1-CG2 4.08Å; L229-V256 HydrophobicContact CG-CB 3.72Å; L229-V256 HydrophobicContact CG-CG1 3.81Å; L229-V256 HydrophobicContact CG-CG2 4.44Å; L230-V256 PolarHBondContact N-O 3.19Å; V256-T358 WeakPolarHBondContact CA-O 3.32Å; V256-T358 HydrophobicContact CG1-CG2 4.1Å
257	L	98.7	Very high	97.4	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	118.7	172.3	178.9	60	0	0	0	108.8	L230 M244 L247 L254 I259 I272 L356 T358 L359 E360	L230-L257 HydrophobicContact CB-CD1 4.41Å; L230-L257 HydrophobicContact CD2-CD1 4.41Å; M244-L257 HydrophobicContact CE-CD2 4.48Å; M244-L257 HydrophobicContact SD-CD2 3.78Å; L247-L257 HydrophobicContact CD1-CD1 4.01Å; L254-L257 HydrophobicContact CD2-CB 3.91Å; L254-L257 HydrophobicContact CD2-CD1 4.14Å; L254-L257 HydrophobicContact CD2-CD2 4.38Å; L254-L257 HydrophobicContact CD2-CG 4.37Å; L257-I259 HydrophobicContact CD1-CG2 3.77Å; L257-I259 HydrophobicContact CD2-CD1 4.23Å; L257-I259 HydrophobicContact CG-CD1 4.38Å; L257-I259 HydrophobicContact CG-CG1 4.29Å; L257-I259 HydrophobicContact CG-CG2 4.28Å; L257-I272 HydrophobicContact CD2-CD1 3.92Å; L257-I272 HydrophobicContact CD2-CG1 4Å; L257-L356 HydrophobicContact CB-CD1 3.97Å; L257-T358 PolarHBondContact N-O 3.36Å; L257-L359 HydrophobicContact CB-CD1 4.27Å; L257-L359 HydrophobicContact CD2-CD1 4.21Å; L257-L359 HydrophobicContact CG-CD1 4.31Å; L257-L359 WeakPolarHBondContact O-CA 3.5Å; L257-E360 PolarHBondContact O-N 2.56Å
258	A	98.7	Very high	97.4	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	115.4	177.8	0	0	0	0	0	109	L230 N231 L232 N233 E360	L230-A258 PolarHBondContact O-N 2.68Å; N231-A258 HydrophobicContact CB-CB 4.05Å; N231-A258 VanDerWaalsContact CG-CB 3.47Å; N231-A258 WeakPolarHBondContact ND2-CB 3.18Å; L232-A258 PolarHBondContact N-O 3.43Å; N233-A258 PolarHBondContact N-O 3.08Å; N233-A258 WeakPolarHBondContact OD1-CA 3.49Å; N233-A258 WeakPolarHBondContact OD1-CB 3.32Å; N233-A258 PolarHBondContact OD1-O 2.87Å; A258-E360 HydrophobicContact CB-CB 3.9Å; A258-E360 HydrophobicContact CB-CG 4.17Å; A258-E360 WeakPolarHBondContact CB-OE2 3.36Å
259	I	98.2	Very high	97.4	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.15	C	C	.	.			trans	-140.9	27.8	-171.8	47.5	167	0	0	0	110.6	L232 N233 M244 L257 C262 I264 E360 V361	L232-I259 HydrophobicContact CB-CG2 4.38Å; N233-I259 PolarHBondContact OD1-N 3.19Å; M244-I259 HydrophobicContact CE-CD1 4.09Å; M244-I259 HydrophobicContact CE-CG2 4.04Å; M244-I259 HydrophobicContact SD-CD1 3.67Å; L257-I259 HydrophobicContact CD1-CG2 3.77Å; L257-I259 HydrophobicContact CD2-CD1 4.23Å; L257-I259 HydrophobicContact CG-CD1 4.38Å; L257-I259 HydrophobicContact CG-CG1 4.29Å; L257-I259 HydrophobicContact CG-CG2 4.28Å; I259-C262 VanDerWaalsContact O-CB 3.31Å; I259-C262 WeakPolarHBondContact O-CB 3.23Å; I259-C262 PolarHBondContact O-N 3.43Å; I259-I264 HydrophobicContact CD1-CB 4.43Å; I259-I264 HydrophobicContact CD1-CD1 4.49Å; I259-I264 HydrophobicContact CD1-CG1 3.79Å; I259-I264 HydrophobicContact CD1-CG2 4.23Å; I259-E360 WeakPolarHBondContact CG1-O 2.95Å; I259-E360 PolarHBondContact N-O 2.94Å; I259-V361 HydrophobicContact CD1-CG1 3.87Å; I259-V361 HydrophobicContact CG1-CG1 3.85Å
260	S	98.1	Very high	97.5	Very high	4 Å²	4	30.1 Å²	30.1	3%	0.028	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	142.8	175	-57.4	0	0	0	0	110.5	N233 Y234 C262 E360 A362	N233-S260 WeakPolarHBondContact CA-O 3.41Å; N233-S260 WeakPolarHBondContact OD1-CB 3.45Å; N233-S260 PolarHBondContact OD1-N 3.42Å; N233-S260 PolarHBondContact OD1-OG 3.19Å; Y234-S260 PolarHBondContact N-O 3.26Å; S260-C262 VanDerWaalsContact C-N 3.3Å; S260-C262 PolarHBondContact O-N 2.92Å; S260-E360 PolarHBondContact N-O 3.12Å; S260-A362 CarbonylContact C-O 3.58Å; S260-A362 WeakPolarHBondContact CA-O 3.15Å; S260-A362 WeakPolarHBondContact CB-O 3.47Å; S260-A362 PolarHBondContact OG-N 2.87Å; S260-A362 VanDerWaalsContact OG-N 3.13Å
261	H	96.3	Very high	97.6	Very high	52 Å²	52	29.7 Å²	29.7	24%	0.241	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.8	21	-173.1	-64.5	-105.9	0	0	0	116.2	Y234 A362 R363	Y234-H261 HydrophobicContact CD1-CB 4.21Å; Y234-H261 AromaticContact CD1-CD2 3.57Å; Y234-H261 AromaticContact CD1-CG 3.79Å; Y234-H261 AromaticContact CD1-NE2 3.78Å; Y234-H261 AromaticContact CE1-CD2 3.15Å; Y234-H261 WeakPolarHBondContact CE1-CD2 3.4Å; Y234-H261 AromaticContact CE1-CE1 3.5Å; Y234-H261 AromaticContact CE1-CG 3.77Å; Y234-H261 AromaticContact CE1-ND1 3.98Å; Y234-H261 AromaticContact CE1-NE2 2.95Å; Y234-H261 WeakPolarHBondContact CE1-NE2 3.31Å; Y234-H261 AromaticContact CZ-CD2 3.45Å; Y234-H261 VanDerWaalsContact CZ-CD2 3.45Å; Y234-H261 AromaticContact CZ-NE2 3.34Å; Y234-H261 VanDerWaalsContact CZ-NE2 3.34Å; Y234-H261 PolarHBondContact OH-NE2 2.82Å; H261-A362 PolarHBondContact N-O 3.42Å; H261-R363 WeakPolarHBondContact CE1-CD 3.31Å; H261-R363 WeakPolarHBondContact NE2-CD 3.48Å
262	C	96.8	Very high	97.7	Very high	2 Å²	2	29.7 Å²	29.7	1%	0.014	15%	0.147	C	C	.	.	S	Bend	trans	-103	149.7	169.2	-66	0	0	0	0	110.9	V239 I259 S260 I264 C364	V239-C262 HydrophobicContact CB-CB 4.34Å; I259-C262 VanDerWaalsContact O-CB 3.31Å; I259-C262 WeakPolarHBondContact O-CB 3.23Å; I259-C262 PolarHBondContact O-N 3.43Å; S260-C262 VanDerWaalsContact C-N 3.3Å; S260-C262 PolarHBondContact O-N 2.92Å; C262-I264 HydrophobicContact CB-CD1 4.26Å; C262-I264 HydrophobicContact CB-CG1 3.88Å; C262-I264 PolarHBondContact O-N 2.61Å; C262-C364 PolarHBondContact O-SG 3.01Å
263	P	96.7	Very high	97.8	Very high	45 Å²	45	27.5 Å²	27.5	29%	0.292	13%	0.133	S	C	.	.			trans	-76.4	61.3	179.6	33.4	-39.4	0	0	0	112.2	G236 V239 T240	G236-P263 WeakPolarHBondContact O-CD 3.12Å; V239-P263 VanDerWaalsContact O-CD 3.31Å; V239-P263 WeakPolarHBondContact O-CD 3.01Å; T240-P263 HydrophobicContact CG2-CG 4.32Å
264	I	97.7	Very high	97.8	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.125	C	C	.	.			trans	-89.5	139.6	-179.9	-54.3	-58	0	0	0	109.9	T240 M244 I259 C262 I367	T240-I264 VanDerWaalsContact C-CD1 3.5Å; M244-I264 HydrophobicContact CG-CD1 4.23Å; M244-I264 HydrophobicContact CG-CG2 4.35Å; I259-I264 HydrophobicContact CD1-CB 4.43Å; I259-I264 HydrophobicContact CD1-CD1 4.49Å; I259-I264 HydrophobicContact CD1-CG1 3.79Å; I259-I264 HydrophobicContact CD1-CG2 4.23Å; C262-I264 HydrophobicContact CB-CD1 4.26Å; C262-I264 HydrophobicContact CB-CG1 3.88Å; C262-I264 PolarHBondContact O-N 2.61Å; I264-I367 HydrophobicContact CG2-CD1 4.49Å; I264-I367 WeakPolarHBondContact O-CG1 3.41Å
265	T	97.9	Very high	97.7	Very high	44 Å²	44	27.5 Å²	27.5	27%	0.27	14%	0.142	S	C	.	.	B	Isolated β-bridge	trans	-115.5	178.3	178.6	84.8	0	0	0	0	111.5	D241 Q267 G268 L269 A366	D241-T265 PolarHBondContact OD1-N 3.41Å; D241-T265 WeakPolarHBondContact OD2-CB 3.47Å; D241-T265 PolarHBondContact OD2-OG1 3.28Å; T265-Q267 PolarHBondContact O-N 3.09Å; T265-Q267 VanDerWaalsContact O-N 3.14Å; T265-Q267 PolarHBondContact OG1-N 2.75Å; T265-Q267 VanDerWaalsContact OG1-N 3.12Å; T265-G268 PolarHBondContact O-N 2.81Å; T265-L269 PolarHBondContact O-N 2.81Å; T265-A366 HydrophobicContact CG2-CB 3.99Å
266	D	98.2	Very high	97.5	Very high	22 Å²	22	21.7 Å²	21.7	12%	0.118	12%	0.121	C	C	.	.	H	α-helix	trans	-55	-28.8	172	-67.5	-25	0	0	0	113.2	L269 R270 T368 G371	D266-L269 PolarHBondContact O-N 3.04Å; D266-R270 VanDerWaalsContact O-CB 3.31Å; D266-R270 WeakPolarHBondContact O-CB 3.42Å; D266-R270 WeakPolarHBondContact O-CG 3.34Å; D266-R270 PolarHBondContact O-N 3.18Å; D266-T368 PolarHBondContact OD1-N 2.65Å; D266-T368 PolarHBondContact OD2-OG1 2.66Å; D266-G371 WeakPolarHBondContact OD1-CA 3.2Å; D266-G371 PolarHBondContact OD1-N 2.83Å; D266-G371 VanDerWaalsContact OD1-N 3.11Å
267	Q	97.6	Very high	97.3	Very high	73 Å²	73	23.1 Å²	23.1	34%	0.341	13%	0.132	S	C	.	.	H	α-helix	trans	-67.8	-39.8	176.9	-60.6	-63.9	-12.1	0	0	111.7	T265 R270 A271 L276 I284	T265-Q267 PolarHBondContact O-N 3.09Å; T265-Q267 VanDerWaalsContact O-N 3.14Å; T265-Q267 PolarHBondContact OG1-N 2.75Å; T265-Q267 VanDerWaalsContact OG1-N 3.12Å; Q267-R270 PolarHBondContact O-N 2.93Å; Q267-A271 PolarHBondContact O-N 2.94Å; Q267-L276 HydrophobicContact CB-CD1 4.41Å; Q267-I284 HydrophobicContact CB-CD1 3.75Å
268	G	97.8	Very high	97.1	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-62.3	-46.5	173.5	0	0	0	0	0	111.8	D241 M244 T265 R270 A271 I272	D241-G268 VanDerWaalsContact CG-N 3.33Å; D241-G268 VanDerWaalsContact OD1-CA 3.31Å; D241-G268 WeakPolarHBondContact OD1-CA 3.36Å; D241-G268 PolarHBondContact OD1-N 2.79Å; M244-G268 WeakPolarHBondContact CB-O 3.45Å; T265-G268 PolarHBondContact O-N 2.81Å; G268-R270 VanDerWaalsContact C-N 3.34Å; G268-R270 PolarHBondContact O-N 2.96Å; G268-A271 WeakPolarHBondContact O-CB 3.36Å; G268-A271 PolarHBondContact O-N 2.78Å; G268-A271 VanDerWaalsContact O-N 3.15Å; G268-I272 PolarHBondContact O-N 3.35Å
269	L	98.2	Very high	96.9	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-62.4	-40.3	175	-68.9	-165.9	0	0	0	112.6	T265 D266 A271 I272 A273 L359 V361 I367 L372 I375	T265-L269 PolarHBondContact O-N 2.81Å; D266-L269 PolarHBondContact O-N 3.04Å; L269-A271 VanDerWaalsContact C-N 3.29Å; L269-A271 PolarHBondContact O-N 3.3Å; L269-I272 PolarHBondContact O-N 3.09Å; L269-A273 WeakPolarHBondContact O-CB 3.49Å; L269-A273 PolarHBondContact O-N 3Å; L269-L359 HydrophobicContact CD2-CD2 4.2Å; L269-V361 HydrophobicContact CD2-CG1 4.3Å; L269-I367 HydrophobicContact CD1-CD1 3.97Å; L269-I367 HydrophobicContact CD1-CG1 4.29Å; L269-I367 HydrophobicContact CD1-CG2 3.62Å; L269-I367 HydrophobicContact CD2-CD1 4.39Å; L269-I367 HydrophobicContact CG-CD1 4.17Å; L269-L372 HydrophobicContact CD1-CD2 3.78Å; L269-L372 HydrophobicContact CD1-CG 4.05Å; L269-I375 HydrophobicContact CB-CD1 4.44Å; L269-I375 HydrophobicContact CB-CG1 4.08Å; L269-I375 HydrophobicContact CD1-CG1 4.36Å; L269-I375 HydrophobicContact CD2-CD1 4.49Å; L269-I375 HydrophobicContact CD2-CG1 4.33Å; L269-I375 WeakPolarHBondContact O-CD1 3.4Å
270	R	97.9	Very high	96.7	Very high	86 Å²	86	30.5 Å²	30.5	33%	0.325	19%	0.187	S	C	.	.	H	α-helix	trans	-64.6	-33.4	174.8	-74.9	178.2	66.9	173	0.5	112.5	D266 Q267 G268 A273 G274 T275 L276 A374	D266-R270 VanDerWaalsContact O-CB 3.31Å; D266-R270 WeakPolarHBondContact O-CB 3.42Å; D266-R270 WeakPolarHBondContact O-CG 3.34Å; D266-R270 PolarHBondContact O-N 3.18Å; Q267-R270 PolarHBondContact O-N 2.93Å; G268-R270 VanDerWaalsContact C-N 3.34Å; G268-R270 PolarHBondContact O-N 2.96Å; R270-A273 PolarHBondContact O-N 2.86Å; R270-G274 PolarHBondContact O-N 2.93Å; R270-G274 VanDerWaalsContact O-N 3.11Å; R270-T275 WeakPolarHBondContact CB-OG1 3.15Å; R270-T275 PolarHBondContact NH2-O 3.28Å; R270-T275 VanDerWaalsContact NH2-O 3.11Å; R270-T275 PolarHBondContact O-N 2.88Å; R270-T275 PolarHBondContact O-OG1 3Å; R270-L276 HydrophobicContact CB-CB 4.23Å; R270-L276 HydrophobicContact CB-CD1 4.45Å; R270-L276 PolarHBondContact O-N 3.29Å; R270-A374 HydrophobicContact CG-CB 3.93Å
271	A	97.7	Very high	96.6	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-63.4	-50.1	172.7	0	0	0	0	0	110.7	M244 V245 S248 Q267 G268 L269 A273 G274 L276	M244-A271 HydrophobicContact CB-CB 4.26Å; V245-A271 HydrophobicContact CG2-CB 3.94Å; S248-A271 WeakPolarHBondContact CB-O 3.47Å; Q267-A271 PolarHBondContact O-N 2.94Å; G268-A271 WeakPolarHBondContact O-CB 3.36Å; G268-A271 PolarHBondContact O-N 2.78Å; G268-A271 VanDerWaalsContact O-N 3.15Å; L269-A271 VanDerWaalsContact C-N 3.29Å; L269-A271 PolarHBondContact O-N 3.3Å; A271-A273 VanDerWaalsContact C-N 3.26Å; A271-A273 PolarHBondContact O-N 3.03Å; A271-G274 PolarHBondContact O-N 2.98Å; A271-L276 HydrophobicContact CB-CB 4.28Å; A271-L276 HydrophobicContact CB-CD2 3.78Å
272	I	98	Very high	96.5	Very high	0 Å²	0	28 Å²	28	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-59.3	-37.9	175.2	-63.9	-57	0	0	0	111.6	M244 L247 L257 G268 L269 G274 G352 C353 L356 I375	M244-I272 HydrophobicContact CB-CD1 4.06Å; M244-I272 HydrophobicContact CB-CG1 4Å; M244-I272 HydrophobicContact CG-CG1 4.25Å; M244-I272 HydrophobicContact SD-CD1 3.8Å; M244-I272 HydrophobicContact SD-CG1 3.71Å; L247-I272 HydrophobicContact CB-CD1 4.16Å; L257-I272 HydrophobicContact CD2-CD1 3.92Å; L257-I272 HydrophobicContact CD2-CG1 4Å; G268-I272 PolarHBondContact O-N 3.35Å; L269-I272 PolarHBondContact O-N 3.09Å; I272-G274 PolarHBondContact O-N 3Å; I272-G352 CarbonylContact O-C 3.5Å; I272-G352 WeakPolarHBondContact O-CA 3.33Å; I272-C353 HydrophobicContact CG2-CB 4.09Å; I272-C353 PolarHBondContact O-N 2.91Å; I272-L356 HydrophobicContact CG2-CD2 4.31Å; I272-I375 HydrophobicContact CB-CD1 4.11Å; I272-I375 HydrophobicContact CG2-CD1 3.87Å
273	A	97.2	Very high	96.4	Very high	4 Å²	4	31.6 Å²	31.6	3%	0.033	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-7.7	174.8	0	0	0	0	0	113.9	L269 R270 A271 T275 A374 I375 V378	L269-A273 WeakPolarHBondContact O-CB 3.49Å; L269-A273 PolarHBondContact O-N 3Å; R270-A273 PolarHBondContact O-N 2.86Å; A271-A273 VanDerWaalsContact C-N 3.26Å; A271-A273 PolarHBondContact O-N 3.03Å; A273-T275 HydrophobicContact CB-CG2 4.07Å; A273-T275 PolarHBondContact O-N 2.79Å; A273-A374 HydrophobicContact CB-CB 3.97Å; A273-I375 HydrophobicContact CB-CD1 4.11Å; A273-V378 HydrophobicContact CB-CG2 4.43Å
274	G	95.8	Very high	96.3	Very high	29 Å²	29	31.7 Å²	31.7	30%	0.299	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.1	20.3	-174.3	0	0	0	0	0	114	R270 A271 I272	R270-G274 PolarHBondContact O-N 2.93Å; R270-G274 VanDerWaalsContact O-N 3.11Å; A271-G274 PolarHBondContact O-N 2.98Å; I272-G274 PolarHBondContact O-N 3Å
275	T	95.9	Very high	96	Very high	57 Å²	57	32.8 Å²	32.8	35%	0.35	21%	0.21	S	C	.	.			trans	-106.6	2.7	-178.3	64.9	0	0	0	0	113.2	R270 A273 V378	R270-T275 WeakPolarHBondContact CB-OG1 3.15Å; R270-T275 PolarHBondContact NH2-O 3.28Å; R270-T275 VanDerWaalsContact NH2-O 3.11Å; R270-T275 PolarHBondContact O-N 2.88Å; R270-T275 PolarHBondContact O-OG1 3Å; A273-T275 HydrophobicContact CB-CG2 4.07Å; A273-T275 PolarHBondContact O-N 2.79Å; T275-V378 HydrophobicContact CG2-CG2 4.16Å
276	L	95.9	Very high	95.3	Very high	8 Å²	8	33.6 Å²	33.6	4%	0.042	23%	0.226	C	C	.	.	S	Bend	trans	-80.3	132.4	173.2	-171.8	69.2	0	0	0	109.6	V245 Q267 R270 A271 A280 A281 I284 P350	V245-L276 HydrophobicContact CG2-CD2 3.9Å; Q267-L276 HydrophobicContact CB-CD1 4.41Å; R270-L276 HydrophobicContact CB-CB 4.23Å; R270-L276 HydrophobicContact CB-CD1 4.45Å; R270-L276 PolarHBondContact O-N 3.29Å; A271-L276 HydrophobicContact CB-CB 4.28Å; A271-L276 HydrophobicContact CB-CD2 3.78Å; L276-A280 HydrophobicContact CD1-CB 3.58Å; L276-A280 HydrophobicContact CG-CB 3.97Å; L276-A281 HydrophobicContact CD2-CB 3.89Å; L276-A281 HydrophobicContact CG-CB 4.45Å; L276-I284 HydrophobicContact CD2-CD1 3.75Å; L276-P350 HydrophobicContact CB-CG 4.48Å
277	S	94.4	Very high	93.5	Very high	60 Å²	60	36.8 Å²	36.8	42%	0.42	24%	0.241	S	C	.	.			trans	-68.7	148.9	178	72.1	0	0	0	0	110.9	A279 A280 A281	S277-A279 PolarHBondContact O-N 2.61Å; S277-A279 VanDerWaalsContact O-N 3.16Å; S277-A280 PolarHBondContact O-N 3.42Å; S277-A280 WeakPolarHBondContact OG-CB 3.47Å; S277-A280 PolarHBondContact OG-N 3.19Å; S277-A281 PolarHBondContact O-N 2.87Å
278	P	93.7	Very high	90.6	Very high	68 Å²	68	39 Å²	39	44%	0.442	26%	0.264	S	S	.	.	H	α-helix	trans	-54.5	-34.4	175.2	-30.7	37.3	0	0	0	113.9	A282 L348	P278-A282 WeakPolarHBondContact O-CB 3.48Å; P278-A282 PolarHBondContact O-N 2.98Å; P278-L348 VanDerWaalsContact CA-O 3.32Å; P278-L348 WeakPolarHBondContact CA-O 3.44Å; P278-L348 VanDerWaalsContact CB-O 3.31Å; P278-L348 WeakPolarHBondContact CB-O 3.33Å
279	A	94.2	Very high	87.7	Confident	59 Å²	59	43.3 Å²	43.3	49%	0.488	29%	0.291	S	S	.	.	H	α-helix	trans	-67.8	-42.1	176.5	0	0	0	0	0	112.2	S277 A282 A283	S277-A279 PolarHBondContact O-N 2.61Å; S277-A279 VanDerWaalsContact O-N 3.16Å; A279-A282 PolarHBondContact O-N 2.8Å; A279-A283 WeakPolarHBondContact O-CB 3.49Å; A279-A283 PolarHBondContact O-N 3.06Å
280	A	94.9	Very high	84.4	Confident	28 Å²	28	48.4 Å²	48.4	23%	0.231	33%	0.326	C	S	.	.	H	α-helix	trans	-67.7	-40.7	175.3	0	0	0	0	0	111.3	L276 S277 A282 A283 I284	L276-A280 HydrophobicContact CD1-CB 3.58Å; L276-A280 HydrophobicContact CG-CB 3.97Å; S277-A280 PolarHBondContact O-N 3.42Å; S277-A280 WeakPolarHBondContact OG-CB 3.47Å; S277-A280 PolarHBondContact OG-N 3.19Å; A280-A282 VanDerWaalsContact C-N 3.34Å; A280-A282 PolarHBondContact O-N 2.97Å; A280-A283 WeakPolarHBondContact O-CB 3.35Å; A280-A283 PolarHBondContact O-N 3.47Å; A280-I284 VanDerWaalsContact O-CG1 3.31Å; A280-I284 WeakPolarHBondContact O-CG1 3.37Å; A280-I284 PolarHBondContact O-N 2.77Å
281	A	95.9	Very high	81.2	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-58.9	-44.4	173.5	0	0	0	0	0	111.9	V245 L276 S277 I284 V285 L348 P350	V245-A281 HydrophobicContact CG1-CB 3.93Å; V245-A281 HydrophobicContact CG2-CB 4.32Å; L276-A281 HydrophobicContact CD2-CB 3.89Å; L276-A281 HydrophobicContact CG-CB 4.45Å; S277-A281 PolarHBondContact O-N 2.87Å; A281-I284 PolarHBondContact O-N 2.68Å; A281-V285 WeakPolarHBondContact O-CG2 3.39Å; A281-V285 PolarHBondContact O-N 3.45Å; A281-V285 VanDerWaalsContact O-N 3.08Å; A281-L348 HydrophobicContact CB-CB 4.28Å; A281-P350 HydrophobicContact CB-CG 3.82Å
282	A	94.2	Very high	78.1	Confident	4 Å²	4	53.4 Å²	53.4	3%	0.033	38%	0.38	C	S	.	.	H	α-helix	trans	-63.7	-39.8	175.6	0	0	0	0	0	113	P278 A279 A280 I284 V285 G286 Q287 T289 L348	P278-A282 WeakPolarHBondContact O-CB 3.48Å; P278-A282 PolarHBondContact O-N 2.98Å; A279-A282 PolarHBondContact O-N 2.8Å; A280-A282 VanDerWaalsContact C-N 3.34Å; A280-A282 PolarHBondContact O-N 2.97Å; A282-I284 VanDerWaalsContact C-N 3.34Å; A282-I284 PolarHBondContact O-N 3.42Å; A282-V285 PolarHBondContact O-N 3.31Å; A282-G286 PolarHBondContact O-N 3.17Å; A282-G286 VanDerWaalsContact O-N 3.17Å; A282-Q287 HydrophobicContact CB-CB 4.35Å; A282-Q287 PolarHBondContact O-N 3.34Å; A282-T289 HydrophobicContact CB-CG2 3.66Å; A282-L348 VanDerWaalsContact CA-CD1 3.49Å; A282-L348 HydrophobicContact CB-CD1 3.93Å
283	A	94.5	Very high	74.9	Confident	76 Å²	76	62 Å²	62	63%	0.628	42%	0.42	S	S	*	.	H	α-helix	trans	-62.1	-41.1	175.3	0	0	0	0	0	112.2	A279 A280 G286	A279-A283 WeakPolarHBondContact O-CB 3.49Å; A279-A283 PolarHBondContact O-N 3.06Å; A280-A283 WeakPolarHBondContact O-CB 3.35Å; A280-A283 PolarHBondContact O-N 3.47Å; A283-G286 PolarHBondContact O-N 3.34Å
284	I	94.4	Very high	72	Confident	48 Å²	48	71.2 Å²	71.2	25%	0.246	46%	0.463	C	S	.	.	H	α-helix	trans	-66.7	-43.4	178.6	-67.5	168.8	0	0	0	111.6	D241 E242 V245 Q267 L276 A280 A281 A282 G286	D241-I284 HydrophobicContact CB-CD1 4.38Å; D241-I284 HydrophobicContact CB-CG2 3.91Å; E242-I284 HydrophobicContact CB-CG2 4.19Å; V245-I284 HydrophobicContact CG2-CB 4.37Å; V245-I284 HydrophobicContact CG2-CD1 4.33Å; V245-I284 HydrophobicContact CG2-CG2 4.12Å; Q267-I284 HydrophobicContact CB-CD1 3.75Å; L276-I284 HydrophobicContact CD2-CD1 3.75Å; A280-I284 VanDerWaalsContact O-CG1 3.31Å; A280-I284 WeakPolarHBondContact O-CG1 3.37Å; A280-I284 PolarHBondContact O-N 2.77Å; A281-I284 PolarHBondContact O-N 2.68Å; A282-I284 VanDerWaalsContact C-N 3.34Å; A282-I284 PolarHBondContact O-N 3.42Å; I284-G286 PolarHBondContact O-N 2.88Å
285	V	92.7	Very high	69	Low	23 Å²	23	78.2 Å²	78.2	14%	0.139	49%	0.493	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	0.1	179.7	-176.9	0	0	0	0	112	E242 V245 A281 A282 Q287 L348	E242-V285 HydrophobicContact CG-CG2 4.23Å; V245-V285 HydrophobicContact CB-CG2 3.98Å; V245-V285 HydrophobicContact CG1-CG2 3.62Å; V245-V285 HydrophobicContact CG2-CG2 4.47Å; A281-V285 WeakPolarHBondContact O-CG2 3.39Å; A281-V285 PolarHBondContact O-N 3.45Å; A281-V285 VanDerWaalsContact O-N 3.08Å; A282-V285 PolarHBondContact O-N 3.31Å; V285-Q287 VanDerWaalsContact C-N 3.27Å; V285-Q287 HydrophobicContact CG1-CG 4.33Å; V285-Q287 PolarHBondContact O-N 3.14Å; V285-L348 HydrophobicContact CB-CD1 4.12Å; V285-L348 HydrophobicContact CG1-CD1 4.47Å; V285-L348 HydrophobicContact CG2-CD1 4.26Å; V285-L348 HydrophobicContact CG2-CD2 4.43Å
286	G	82.4	Confident	65.9	Low	60 Å²	60	78.7 Å²	78.7	62%	0.619	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	71	17.8	-179.2	0	0	0	0	0	114.4	A282 A283 I284 S288	A282-G286 PolarHBondContact O-N 3.17Å; A282-G286 VanDerWaalsContact O-N 3.17Å; A283-G286 PolarHBondContact O-N 3.34Å; I284-G286 PolarHBondContact O-N 2.88Å; G286-S288 PolarHBondContact O-N 3.27Å
287	Q	60.9	Low	62.9	Low	89 Å²	89	85.7 Å²	85.7	42%	0.416	55%	0.545	S	S	.	.			trans	-84.7	104.5	172	-67	-172.3	19.1	0	0	109.2	A282 V285 T289 L348	A282-Q287 HydrophobicContact CB-CB 4.35Å; A282-Q287 PolarHBondContact O-N 3.34Å; V285-Q287 VanDerWaalsContact C-N 3.27Å; V285-Q287 HydrophobicContact CG1-CG 4.33Å; V285-Q287 PolarHBondContact O-N 3.14Å; Q287-T289 PolarHBondContact O-N 2.88Å; Q287-L348 HydrophobicContact CB-CD1 4.34Å; Q287-L348 HydrophobicContact CG-CD1 4.24Å
288	S	35.1	Very low	59.9	Low	120 Å²	120	88.2 Å²	88.2	84%	0.839	56%	0.56	S	S	*	*			trans	-61.9	104.2	173.1	-27.3	0	0	0	0	109	G286 S290	G286-S288 PolarHBondContact O-N 3.27Å; S288-S290 PolarHBondContact O-N 3.21Å
289	T	37.2	Very low	57.1	Low	90 Å²	90	93 Å²	93	55%	0.552	58%	0.581	S	S	*	*			trans	-65.9	103.7	166.6	52.3	0	0	0	0	107.2	A282 Q287 A291	A282-T289 HydrophobicContact CB-CG2 3.66Å; Q287-T289 PolarHBondContact O-N 2.88Å; T289-A291 PolarHBondContact O-N 2.82Å
290	S	30.4	Very low	54	Low	108 Å²	108	97.2 Å²	97.2	76%	0.755	59%	0.594	S	S	*	*			trans	-66.5	81.4	166.5	59.2	0	0	0	0	108.5	S288	S288-S290 PolarHBondContact O-N 3.21Å
291	A	30.8	Very low	51.1	Low	90 Å²	90	103.4 Å²	103.4	74%	0.744	62%	0.622	S	S	*	*			trans	-122.7	59.9	169.4	0	0	0	0	0	108.2	T289	T289-A291 PolarHBondContact O-N 2.82Å
292	S	32	Very low	47.9	Very low	101 Å²	101	108.3 Å²	108.3	71%	0.706	65%	0.654	S	S	*	*			trans	-85.6	127.9	159.8	52	0	0	0	0	108.4
293	Q	31.1	Very low	44.8	Very low	180 Å²	180	114 Å²	114	84%	0.841	69%	0.688	S	S	*	*			trans	74.9	92.7	162.7	-57.9	174.8	-10.5	0	0	116.6
294	Q	35	Very low	41.8	Very low	198 Å²	198	117.1 Å²	117.1	93%	0.925	70%	0.699	S	S	*	*				-166.4	127.4	113.2	-100.7	169.3	16.9	0	0	110.3
295	N	32.7	Very low	38.9	Very low	176 Å²	176	120.7 Å²	120.7	94%	0.941	72%	0.723	S	S	*	*			trans	-51.4	135.9	172	-69	-36.1	0	0	0	111.3
296	G	31.4	Very low	36	Very low	66 Å²	66	124.4 Å²	124.4	68%	0.68	75%	0.75	S	S	*	*			trans	160.7	88.4	164.1	0	0	0	0	0	116.3
297	I	32.4	Very low	33.6	Very low	155 Å²	155	129.6 Å²	129.6	80%	0.795	76%	0.764	S	S	*	*			trans	68.9	122.5	148	-44.7	171.8	0	0	0	117.1	L299	I297-L299 PolarHBondContact O-N 3.39Å
298	P	32.7	Very low	32.2	Very low	113 Å²	113	129.2 Å²	129.2	73%	0.734	78%	0.784	S	S	*	*			trans	-77.3	120.8	171.7	31.8	-28.9	0	0	0	110.3	I300	P298-I300 PolarHBondContact O-N 3.27Å
299	L	33.9	Very low	32	Very low	170 Å²	170	129.1 Å²	129.1	89%	0.89	78%	0.783	S	S	*	*			trans	-81.9	106.4	165.6	-81.9	161.6	0	0	0	109.2	I297	I297-L299 PolarHBondContact O-N 3.39Å
300	I	30.2	Very low	31.9	Very low	146 Å²	146	131.6 Å²	131.6	75%	0.749	80%	0.798	S	S	*	*			trans	-88.3	129	164.5	-62.1	173.3	0	0	0	108.2	P298	P298-I300 PolarHBondContact O-N 3.27Å
301	L	32.8	Very low	32	Very low	158 Å²	158	132.9 Å²	132.9	83%	0.827	80%	0.796	S	S	*	*			trans	-145.2	145.4	163.8	-85.2	179.6	0	0	0	108.8
302	P	28.7	Very low	32.4	Very low	104 Å²	104	136.5 Å²	136.5	68%	0.675	80%	0.797	S	S	*	*				-113.4	148.4	-88.7	34	-25.7	0	0	0	113.2
303	V	30.1	Very low	32.5	Very low	124 Å²	124	139.8 Å²	139.8	75%	0.752	80%	0.802	S	S	*	*			trans	-77.8	127.3	160.3	173.7	0	0	0	0	107.8	T305	V303-T305 HydrophobicContact CG1-CG2 4.16Å; V303-T305 PolarHBondContact O-N 3.34Å
304	V	31.4	Very low	32.8	Very low	140 Å²	140	138.3 Å²	138.3	85%	0.848	80%	0.799	S	S	*	*			trans	-80	100.8	168.3	175.2	0	0	0	0	107.1
305	T	33.5	Very low	32.9	Very low	123 Å²	123	133.3 Å²	133.3	76%	0.755	79%	0.792	S	S	*	*			trans	-142.2	135.8	157.1	48.2	0	0	0	0	109.9	V303	V303-T305 HydrophobicContact CG1-CG2 4.16Å; V303-T305 PolarHBondContact O-N 3.34Å
306	S	31.8	Very low	33.3	Very low	102 Å²	102	130.8 Å²	130.8	71%	0.713	79%	0.788	S	S	*	*			trans	-73.2	147	-177.5	49.5	0	0	0	0	113.6
307	N	31.6	Very low	33.7	Very low	168 Å²	168	133.5 Å²	133.5	90%	0.898	80%	0.797	S	S	*	*			trans	83.5	124.1	154.1	-62.4	-14.5	0	0	0	119.9
308	G	32.2	Very low	34.1	Very low	81 Å²	81	131.8 Å²	131.8	84%	0.835	80%	0.796	S	S	*	*			trans	132.3	104.6	146	0	0	0	0	0	116.5
309	S	30.1	Very low	34.5	Very low	119 Å²	119	133.5 Å²	133.5	83%	0.832	80%	0.799	S	S	*	*			trans	-59.4	156.1	178.4	-59.6	0	0	0	0	117.1
310	V	35.9	Very low	34.7	Very low	141 Å²	141	132 Å²	132	86%	0.855	79%	0.791	S	S	*	*				155.2	148	116.3	175.4	0	0	0	0	112.3
311	N	31.5	Very low	35.2	Very low	136 Å²	136	131.7 Å²	131.7	73%	0.727	79%	0.791	S	S	*	*			trans	-75.8	172	-156.4	-68.8	-34	0	0	0	121.9
312	H	38.5	Very low	35.8	Very low	165 Å²	165	131.6 Å²	131.6	76%	0.764	79%	0.792	S	S	*	*			trans	111.7	110.6	150.5	-67	-70.7	0	0	0	115.5
313	Q	34.8	Very low	36.5	Very low	170 Å²	170	133.4 Å²	133.4	79%	0.794	80%	0.796	S	S	*	*				90.4	137.7	57.1	-87.9	-172.7	-13.4	0	0	116.1
314	D	36.8	Very low	37.1	Very low	149 Å²	149	135.3 Å²	135.3	80%	0.797	80%	0.802	S	S	*	*			trans	98.8	105.9	168.9	-56	-24.3	0	0	0	118.2
315	A	38.7	Very low	37.7	Very low	94 Å²	94	137.7 Å²	137.7	78%	0.777	80%	0.803	S	S	*	*				75.7	133.4	80.4	0	0	0	0	0	112.8
316	S	39.8	Very low	38.1	Very low	123 Å²	123	135.2 Å²	135.2	86%	0.86	80%	0.802	S	S	*	*			cis	-176.6	168.8	29.7	38	0	0	0	0	112.2
317	S	40	Very low	38.5	Very low	122 Å²	122	137.1 Å²	137.1	85%	0.853	80%	0.804	S	S	*	*			trans	-61.2	174	-167.6	-70.1	0	0	0	0	123.9
318	P	41.7	Very low	38.8	Very low	120 Å²	120	139.9 Å²	139.9	78%	0.779	80%	0.802	S	S	*	*			trans	-112.7	178.2	-171.3	42.1	-29.9	0	0	0	116.2
319	N	39.6	Very low	39.2	Very low	149 Å²	149	144 Å²	144	80%	0.797	81%	0.805	S	S	*	*			trans	-165.1	159.7	164.1	-129.1	-2.6	0	0	0	117.3
320	N	39.7	Very low	39.6	Very low	137 Å²	137	143 Å²	143	73%	0.733	80%	0.798	S	S	*	*			trans	95.8	109	165.6	-63	-8.9	0	0	0	118.1
321	N	40.9	Very low	39.8	Very low	140 Å²	140	143.4 Å²	143.4	75%	0.749	80%	0.801	S	S	*	*				67	117.7	63.8	-78.8	-4.1	0	0	0	115.6
322	D	44.9	Very low	40.2	Very low	157 Å²	157	143.2 Å²	143.2	84%	0.84	81%	0.805	S	S	*	*				-178.7	153.3	117.4	-93.4	-26.5	0	0	0	115.9
323	N	42.9	Very low	40.2	Very low	142 Å²	142	143 Å²	143	76%	0.759	81%	0.809	S	S	*	*			trans	-88.3	159.3	-168.4	-55.7	-71.1	0	0	0	114.3
324	N	43.4	Very low	40.3	Very low	164 Å²	164	141.6 Å²	141.6	88%	0.877	81%	0.807	S	S	*	*				-175.7	152.3	121.7	-117.7	-26.2	0	0	0	118
325	H	43.9	Very low	40.4	Very low	189 Å²	189	142.2 Å²	142.2	88%	0.875	81%	0.81	S	S	*	*			trans	-78.1	167.7	-177.4	-88	-47.4	0	0	0	117
326	G	41.3	Very low	40.2	Very low	71 Å²	71	149.1 Å²	149.1	73%	0.732	82%	0.817	S	S	*	*			trans	148.4	95.2	139.1	0	0	0	0	0	120.3
327	D	41.1	Very low	39.7	Very low	142 Å²	142	155 Å²	155	76%	0.759	82%	0.82	S	S	*	*			trans	47.8	121.3	138.5	-74.9	-39.3	0	0	0	127.7
328	R	37.5	Very low	39.4	Very low	226 Å²	226	157.8 Å²	157.8	85%	0.853	82%	0.819	S	S	*	*				41.6	121.3	124.5	-63.6	176.8	176.1	178.4	0.7	122.3
329	N	40.5	Very low	38.8	Very low	167 Å²	167	161.5 Å²	161.5	89%	0.893	82%	0.823	S	S	*	*				-163.2	148.8	123.2	-118.9	-16.5	0	0	0	114.5
330	S	37.3	Very low	38.5	Very low	99 Å²	99	160.2 Å²	160.2	69%	0.692	82%	0.821	S	S	*	*			trans	-89.6	143	-172.3	56.9	0	0	0	0	114.7
331	T	40.1	Very low	38.2	Very low	149 Å²	149	161 Å²	161	91%	0.914	83%	0.825	S	S	*	*			trans	-156.9	133.9	145.5	20.3	0	0	0	0	111.3
332	V	40.6	Very low	37.8	Very low	133 Å²	133	161.7 Å²	161.7	81%	0.806	83%	0.829	S	S	*	*			trans	-73.1	131.4	-178.4	172.2	0	0	0	0	110.3
333	N	38.1	Very low	37.5	Very low	160 Å²	160	159.5 Å²	159.5	86%	0.856	83%	0.826	S	S	*	*			trans	-148.3	124.3	154.2	-137.5	-6	0	0	0	111.8
334	N	37.1	Very low	37.4	Very low	140 Å²	140	159.3 Å²	159.3	75%	0.749	83%	0.825	S	S	*	*			trans	-70.3	123.6	177	-79.8	-38.3	0	0	0	110
335	N	38.6	Very low	37.5	Very low	162 Å²	162	160.6 Å²	160.6	87%	0.866	82%	0.822	S	S	*	*			trans	-153.9	138.1	146.7	-95.6	-31.6	0	0	0	111.6	R337	N335-R337 PolarHBondContact O-N 3.21Å
336	R	34.6	Very low	38.1	Very low	240 Å²	240	156.1 Å²	156.1	91%	0.906	81%	0.809	S	S	*	*			trans	-44.7	126.9	-171	-76.2	166.1	164	164	-6.3	113.7	Q338	R336-Q338 PolarHBondContact O-N 3.18Å
337	R	30.5	Very low	39.2	Very low	247 Å²	247	158.6 Å²	158.6	93%	0.932	81%	0.81	S	S	*	*			trans	-59.2	100.2	162.8	-75.7	176.3	165.3	179	-5.8	110.3	N335	N335-R337 PolarHBondContact O-N 3.21Å
338	Q	33.5	Very low	41	Very low	180 Å²	180	152.6 Å²	152.6	84%	0.841	78%	0.777	S	S	*	*			trans	-71	117	149.2	-96.7	168.4	-27.6	0	0	107.1	R336 T340	R336-Q338 PolarHBondContact O-N 3.18Å; Q338-T340 PolarHBondContact O-N 3.41Å
339	K	29.5	Very low	43.3	Very low	198 Å²	198	146.1 Å²	146.1	86%	0.861	76%	0.76	S	S	*	*			trans	-62.6	101.4	165.1	-85.8	177.6	170.5	179.8	0	107.6	N341	K339-N341 PolarHBondContact O-N 3.12Å
340	T	33.2	Very low	45.3	Very low	122 Å²	122	138.4 Å²	138.4	75%	0.748	72%	0.719	S	S	*	*			trans	-67.3	113.3	160.6	48.5	0	0	0	0	107	Q338 D342	Q338-T340 PolarHBondContact O-N 3.41Å; T340-D342 PolarHBondContact O-N 3.03Å
341	N	33.1	Very low	47.8	Very low	152 Å²	152	138.4 Å²	138.4	81%	0.813	71%	0.714	S	S	*	*			trans	-64.2	126.9	168	-80.5	-20.6	0	0	0	108.1	K339 S343	K339-N341 PolarHBondContact O-N 3.12Å; N341-S343 PolarHBondContact O-N 3.5Å
342	D	32.6	Very low	50.2	Low	156 Å²	156	131.3 Å²	131.3	83%	0.834	67%	0.671	S	S	*	*			trans	-50.7	107.8	175.2	-67.2	-50.9	0	0	0	110.6	T340 N344	T340-D342 PolarHBondContact O-N 3.03Å; D342-N344 VanDerWaalsContact C-N 3.26Å; D342-N344 PolarHBondContact O-N 2.71Å
343	S	38.2	Very low	52.7	Low	111 Å²	111	125 Å²	125	78%	0.776	63%	0.633	S	S	*	*			trans	-64.5	95.7	155.5	34.6	0	0	0	0	106.5	N341 K345	N341-S343 PolarHBondContact O-N 3.5Å; S343-K345 PolarHBondContact O-N 2.75Å
344	N	40.6	Very low	55.4	Low	138 Å²	138	120.9 Å²	120.9	74%	0.738	61%	0.613	S	S	*	*			trans	-41	115.3	160.7	-102.6	-9.3	0	0	0	107.2	D342 T346	D342-N344 VanDerWaalsContact C-N 3.26Å; D342-N344 PolarHBondContact O-N 2.71Å; N344-T346 PolarHBondContact O-N 2.79Å; N344-T346 PolarHBondContact O-OG1 3.05Å
345	K	44.8	Very low	58.3	Low	190 Å²	190	115.1 Å²	115.1	83%	0.826	58%	0.584	S	S	*	*			trans	-68.8	72.4	174.9	-157.2	178	-172.2	-179.4	0	106.8	S343 T347	S343-K345 PolarHBondContact O-N 2.75Å; K345-T347 PolarHBondContact O-N 2.9Å; K345-T347 VanDerWaalsContact O-N 3.08Å
346	T	57.2	Low	61.1	Low	95 Å²	95	107.4 Å²	107.4	58%	0.583	54%	0.543	S	S	*	.			trans	-63.5	110.4	177.3	31.1	0	0	0	0	106.9	N344 L348	N344-T346 PolarHBondContact O-N 2.79Å; N344-T346 PolarHBondContact O-OG1 3.05Å; T346-L348 PolarHBondContact O-N 2.97Å; T346-L348 VanDerWaalsContact O-N 3.07Å
347	T	64.1	Low	64.2	Low	123 Å²	123	97.2 Å²	97.2	76%	0.755	51%	0.507	S	S	*	.			trans	-53.1	115.3	170	45.1	0	0	0	0	108.4	K345 N349	K345-T347 PolarHBondContact O-N 2.9Å; K345-T347 VanDerWaalsContact O-N 3.08Å; T347-N349 PolarHBondContact O-N 3.1Å
348	L	79.1	Confident	67.4	Low	16 Å²	16	86.4 Å²	86.4	8%	0.084	47%	0.469	C	S	.	.			trans	-71.3	84.1	175.7	-70.2	169.3	0	0	0	108.5	V245 I249 P278 A281 A282 V285 Q287 T346 P350	V245-L348 HydrophobicContact CG1-CD2 4.33Å; I249-L348 HydrophobicContact CD1-CB 4.32Å; I249-L348 HydrophobicContact CD1-CD2 3.58Å; P278-L348 VanDerWaalsContact CA-O 3.32Å; P278-L348 WeakPolarHBondContact CA-O 3.44Å; P278-L348 VanDerWaalsContact CB-O 3.31Å; P278-L348 WeakPolarHBondContact CB-O 3.33Å; A281-L348 HydrophobicContact CB-CB 4.28Å; A282-L348 VanDerWaalsContact CA-CD1 3.49Å; A282-L348 HydrophobicContact CB-CD1 3.93Å; V285-L348 HydrophobicContact CB-CD1 4.12Å; V285-L348 HydrophobicContact CG1-CD1 4.47Å; V285-L348 HydrophobicContact CG2-CD1 4.26Å; V285-L348 HydrophobicContact CG2-CD2 4.43Å; Q287-L348 HydrophobicContact CB-CD1 4.34Å; Q287-L348 HydrophobicContact CG-CD1 4.24Å; T346-L348 PolarHBondContact O-N 2.97Å; T346-L348 VanDerWaalsContact O-N 3.07Å; L348-P350 WeakPolarHBondContact O-CD 3.38Å
349	N	85.6	Confident	70.5	Confident	90 Å²	90	77.9 Å²	77.9	48%	0.481	43%	0.429	S	S	.	.			trans	-115.6	91.5	176.7	-168.7	25.6	0	0	0	108.8	T347 V351	T347-N349 PolarHBondContact O-N 3.1Å; N349-V351 PolarHBondContact O-N 3.07Å
350	P	83.2	Confident	73.8	Confident	5 Å²	5	69.9 Å²	69.9	3%	0.032	40%	0.395	C	S	.	.			trans	-52.2	108	173.4	-29.9	38.7	0	0	0	110.9	S248 L276 A281 L348 G352	S248-P350 VanDerWaalsContact OG-CB 3.29Å; S248-P350 WeakPolarHBondContact OG-CB 3.36Å; L276-P350 HydrophobicContact CB-CG 4.48Å; A281-P350 HydrophobicContact CB-CG 3.82Å; L348-P350 WeakPolarHBondContact O-CD 3.38Å; P350-G352 VanDerWaalsContact C-N 3.31Å
351	V	90	Very high	76.9	Confident	99 Å²	99	64 Å²	64	60%	0.6	36%	0.359	S	S	*	.			trans	-78.7	-27.5	175.7	-176.3	0	0	0	0	110	S248 N349	S248-V351 PolarHBondContact O-N 3.19Å; S248-V351 VanDerWaalsContact O-N 3.12Å; N349-V351 PolarHBondContact O-N 3.07Å
352	G	89.3	Confident	80	Confident	1 Å²	1	57 Å²	57	1%	0.01	32%	0.322	C	S	.	.			trans	86.6	159.7	178.9	0	0	0	0	0	113.1	S248 I272 P350 V354	S248-G352 PolarHBondContact O-N 3.29Å; S248-G352 VanDerWaalsContact O-N 3.11Å; I272-G352 CarbonylContact O-C 3.5Å; I272-G352 WeakPolarHBondContact O-CA 3.33Å; P350-G352 VanDerWaalsContact C-N 3.31Å; G352-V354 PolarHBondContact O-N 3.41Å
353	C	94.4	Very high	83	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	30%	0.301	C	S	.	.			trans	-100.4	70.8	-179.4	-55.4	0	0	0	0	109.9	L254 I272 S355 L356	L254-C353 HydrophobicContact CB-CB 4.21Å; I272-C353 HydrophobicContact CG2-CB 4.09Å; I272-C353 PolarHBondContact O-N 2.91Å; C353-S355 PolarHBondContact O-N 3.11Å; C353-S355 VanDerWaalsContact O-N 3.12Å; C353-L356 WeakPolarHBondContact O-CB 3.44Å; C353-L356 PolarHBondContact O-N 3.31Å
354	V	95	Very high	85.8	Confident	73 Å²	73	49.3 Å²	49.3	44%	0.442	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-15	-173.9	-56.4	0	0	0	0	114	G352 L356 V378	G352-V354 PolarHBondContact O-N 3.41Å; V354-L356 VanDerWaalsContact C-N 3.35Å; V354-V378 HydrophobicContact CB-CG1 4.45Å; V354-V378 HydrophobicContact CG1-CG1 3.75Å
355	S	96.8	Very high	88.3	Confident	20 Å²	20	47 Å²	47	14%	0.14	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	10.5	179.3	-72	0	0	0	0	114	L254 C353 T357 K381	L254-S355 CarbonylContact O-C 3.26Å; C353-S355 PolarHBondContact O-N 3.11Å; C353-S355 VanDerWaalsContact O-N 3.12Å; S355-T357 PolarHBondContact O-N 3.26Å; S355-K381 PolarHBondContact OG-NZ 3.31Å
356	L	98.2	Very high	90.7	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	24%	0.238	C	C	.	.			trans	-60.4	125.9	-179.5	-155.7	72.4	0	0	0	111.4	L254 L257 I272 C353 V354 L359 C379 K381 L382	L254-L356 PolarHBondContact O-N 2.93Å; L257-L356 HydrophobicContact CB-CD1 3.97Å; I272-L356 HydrophobicContact CG2-CD2 4.31Å; C353-L356 WeakPolarHBondContact O-CB 3.44Å; C353-L356 PolarHBondContact O-N 3.31Å; V354-L356 VanDerWaalsContact C-N 3.35Å; L356-L359 HydrophobicContact CD2-CB 3.9Å; L356-L359 HydrophobicContact CD2-CD1 4.25Å; L356-L359 HydrophobicContact CD2-CD2 4.38Å; L356-L359 HydrophobicContact CD2-CG 4.41Å; L356-C379 HydrophobicContact CB-CB 4.23Å; L356-K381 CarbonylContact O-C 3.35Å; L356-L382 PolarHBondContact O-N 2.72Å
357	T	98.6	Very high	92.6	Very high	25 Å²	25	35.7 Å²	35.7	15%	0.153	21%	0.21	C	C	.	.			trans	-111.1	-25.9	175.9	62.1	0	0	0	0	111.7	R255 S355 K381 E383 K384	R255-T357 HydrophobicContact CB-CG2 4.49Å; R255-T357 PolarHBondContact O-N 3.1Å; R255-T357 PolarHBondContact O-OG1 2.91Å; R255-T357 VanDerWaalsContact O-OG1 3.09Å; S355-T357 PolarHBondContact O-N 3.26Å; T357-K381 HydrophobicContact CG2-CB 4.45Å; T357-E383 WeakPolarHBondContact O-CA 3.17Å; T357-E383 WeakPolarHBondContact O-CB 3.49Å; T357-E383 PolarHBondContact O-N 3.49Å; T357-K384 PolarHBondContact O-N 2.96Å
358	T	98.8	Very high	94.3	Very high	21 Å²	21	31.5 Å²	31.5	13%	0.129	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	126.1	-179.7	-55.1	0	0	0	0	110.5	R255 V256 L257 E360 K384	R255-T358 PolarHBondContact O-N 2.91Å; V256-T358 WeakPolarHBondContact CA-O 3.32Å; V256-T358 HydrophobicContact CG1-CG2 4.1Å; L257-T358 PolarHBondContact N-O 3.36Å; T358-E360 HydrophobicContact CG2-CG 4.2Å; T358-K384 VanDerWaalsContact CA-O 3.32Å; T358-K384 WeakPolarHBondContact CA-O 3.48Å; T358-K384 HydrophobicContact CG2-CB 3.95Å; T358-K384 HydrophobicContact CG2-CD 3.9Å; T358-K384 HydrophobicContact CG2-CG 4.05Å
359	L	98.7	Very high	95.2	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	120.5	172.4	-178.9	59.6	0	0	0	109.3	L257 L269 L356 V361 I375 L382 K384 L385 D386	L257-L359 HydrophobicContact CB-CD1 4.27Å; L257-L359 HydrophobicContact CD2-CD1 4.21Å; L257-L359 HydrophobicContact CG-CD1 4.31Å; L257-L359 WeakPolarHBondContact O-CA 3.5Å; L269-L359 HydrophobicContact CD2-CD2 4.2Å; L356-L359 HydrophobicContact CD2-CB 3.9Å; L356-L359 HydrophobicContact CD2-CD1 4.25Å; L356-L359 HydrophobicContact CD2-CD2 4.38Å; L356-L359 HydrophobicContact CD2-CG 4.41Å; L359-V361 HydrophobicContact CD1-CG1 3.69Å; L359-V361 HydrophobicContact CD2-CG1 4.37Å; L359-V361 HydrophobicContact CG-CG1 3.89Å; L359-I375 HydrophobicContact CD2-CD1 4.4Å; L359-I375 HydrophobicContact CD2-CG1 4.24Å; L359-I375 HydrophobicContact CD2-CG2 4.06Å; L359-L382 HydrophobicContact CB-CD1 4.18Å; L359-K384 PolarHBondContact N-O 3.22Å; L359-L385 HydrophobicContact CB-CD1 3.84Å; L359-L385 HydrophobicContact CD2-CD1 3.95Å; L359-L385 HydrophobicContact CG-CD1 4.03Å; L359-L385 WeakPolarHBondContact O-CA 3.34Å; L359-D386 PolarHBondContact O-N 3.22Å
360	E	98.7	Very high	95.8	Very high	30 Å²	30	32.9 Å²	32.9	14%	0.14	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	114.3	172.5	-53.6	179.1	172.6	0	0	109	N233 L257 A258 I259 S260 T358 K384 D386	N233-E360 PolarHBondContact ND2-OE2 3.18Å; L257-E360 PolarHBondContact O-N 2.56Å; A258-E360 HydrophobicContact CB-CB 3.9Å; A258-E360 HydrophobicContact CB-CG 4.17Å; A258-E360 WeakPolarHBondContact CB-OE2 3.36Å; I259-E360 WeakPolarHBondContact CG1-O 2.95Å; I259-E360 PolarHBondContact N-O 2.94Å; S260-E360 PolarHBondContact N-O 3.12Å; T358-E360 HydrophobicContact CG2-CG 4.2Å; E360-K384 IonicContact OE1-NZ 2.71Å; E360-K384 PolarHBondContact OE1-NZ 2.63Å; E360-D386 HydrophobicContact CB-CB 4.17Å; E360-D386 HydrophobicContact CG-CB 4.08Å
361	V	98.3	Very high	96.5	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	19%	0.189	C	C	.	.			trans	-132.7	25.5	-177.5	-68.5	0	0	0	0	111.3	I259 L269 L359 R363 C364 I367 D386 L387 C390	I259-V361 HydrophobicContact CD1-CG1 3.87Å; I259-V361 HydrophobicContact CG1-CG1 3.85Å; L269-V361 HydrophobicContact CD2-CG1 4.3Å; L359-V361 HydrophobicContact CD1-CG1 3.69Å; L359-V361 HydrophobicContact CD2-CG1 4.37Å; L359-V361 HydrophobicContact CG-CG1 3.89Å; V361-R363 PolarHBondContact O-N 3.16Å; V361-C364 HydrophobicContact CB-CB 4.38Å; V361-C364 VanDerWaalsContact O-CB 3.22Å; V361-C364 WeakPolarHBondContact O-CB 3.02Å; V361-C364 PolarHBondContact O-N 3.33Å; V361-C364 VanDerWaalsContact O-N 3.1Å; V361-C364 PolarHBondContact O-SG 2.83Å; V361-I367 HydrophobicContact CB-CD1 3.78Å; V361-I367 HydrophobicContact CG1-CD1 4.13Å; V361-I367 HydrophobicContact CG2-CD1 4.02Å; V361-D386 WeakPolarHBondContact CG2-O 3.2Å; V361-D386 PolarHBondContact N-O 2.75Å; V361-L387 HydrophobicContact CG2-CD2 3.56Å; V361-C390 PolarHBondContact O-SG 3.3Å; V361-C390 VanDerWaalsContact O-SG 3.38Å
362	A	97.9	Very high	96.9	Very high	5 Å²	5	28.1 Å²	28.1	4%	0.041	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.5	137.4	178.3	0	0	0	0	0	111.1	S260 H261 C364 D386 E388	S260-A362 CarbonylContact C-O 3.58Å; S260-A362 WeakPolarHBondContact CA-O 3.15Å; S260-A362 WeakPolarHBondContact CB-O 3.47Å; S260-A362 PolarHBondContact OG-N 2.87Å; S260-A362 VanDerWaalsContact OG-N 3.13Å; H261-A362 PolarHBondContact N-O 3.42Å; A362-C364 PolarHBondContact O-N 2.96Å; A362-D386 PolarHBondContact N-O 3.47Å; A362-E388 CarbonylContact C-O 3.42Å; A362-E388 WeakPolarHBondContact CA-O 3.46Å; A362-E388 HydrophobicContact CB-CB 3.81Å; A362-E388 WeakPolarHBondContact CB-O 3.37Å
363	R	96.3	Very high	97.3	Very high	104 Å²	104	29.1 Å²	29.1	39%	0.392	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.3	21.1	-179.9	-62.2	163.5	-176.5	-121.9	7.6	114.8	H261 V361 S365 E388 D389	H261-R363 WeakPolarHBondContact CE1-CD 3.31Å; H261-R363 WeakPolarHBondContact NE2-CD 3.48Å; V361-R363 PolarHBondContact O-N 3.16Å; R363-S365 VanDerWaalsContact C-N 3.32Å; R363-S365 PolarHBondContact O-N 3.1Å; R363-E388 IonicContact CZ-OE1 2.79Å; R363-E388 PolarHBondContact N-O 3.15Å; R363-E388 IonicContact NE-OE1 3.35Å; R363-E388 PolarHBondContact NE-OE1 3.4Å; R363-E388 IonicContact NH2-OE1 2.81Å; R363-E388 PolarHBondContact NH2-OE1 2.92Å; R363-D389 HydrophobicContact CG-CB 3.57Å; R363-D389 WeakPolarHBondContact CG-OD2 3.17Å; R363-D389 IonicContact CZ-OD2 3.47Å; R363-D389 IonicContact NE-OD2 3.73Å
364	C	96	Very high	97.5	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.007	18%	0.175	C	C	.	.			trans	-82	82	163.6	-60.9	0	0	0	0	108.6	C262 V361 A362 A366 I367	C262-C364 PolarHBondContact O-SG 3.01Å; V361-C364 HydrophobicContact CB-CB 4.38Å; V361-C364 VanDerWaalsContact O-CB 3.22Å; V361-C364 WeakPolarHBondContact O-CB 3.02Å; V361-C364 PolarHBondContact O-N 3.33Å; V361-C364 VanDerWaalsContact O-N 3.1Å; V361-C364 PolarHBondContact O-SG 2.83Å; A362-C364 PolarHBondContact O-N 2.96Å; C364-A366 PolarHBondContact O-N 3.22Å; C364-A366 VanDerWaalsContact O-N 3.1Å; C364-I367 HydrophobicContact CB-CD1 3.35Å; C364-I367 HydrophobicContact CB-CG1 3.81Å; C364-I367 PolarHBondContact O-N 2.96Å
365	S	92.7	Very high	97.6	Very high	89 Å²	89	26.4 Å²	26.4	62%	0.622	15%	0.154	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-11.7	-167.9	57.8	0	0	0	0	115.8	R363 L392	R363-S365 VanDerWaalsContact C-N 3.32Å; R363-S365 PolarHBondContact O-N 3.1Å; S365-L392 WeakPolarHBondContact O-CD1 3.49Å
366	A	96.2	Very high	97.7	Very high	47 Å²	47	25.5 Å²	25.5	39%	0.388	15%	0.148	S	C	.	.	B	Isolated β-bridge	trans	-93.2	-2.6	178.3	0	0	0	0	0	113.8	T265 C364	T265-A366 HydrophobicContact CG2-CB 3.99Å; C364-A366 PolarHBondContact O-N 3.22Å; C364-A366 VanDerWaalsContact O-N 3.1Å
367	I	97.6	Very high	97.6	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.177	C	C	.	.			trans	-78.8	132.7	177.4	-65.1	179.5	0	0	0	109.5	I264 L269 V361 C364 L372 L392	I264-I367 HydrophobicContact CG2-CD1 4.49Å; I264-I367 WeakPolarHBondContact O-CG1 3.41Å; L269-I367 HydrophobicContact CD1-CD1 3.97Å; L269-I367 HydrophobicContact CD1-CG1 4.29Å; L269-I367 HydrophobicContact CD1-CG2 3.62Å; L269-I367 HydrophobicContact CD2-CD1 4.39Å; L269-I367 HydrophobicContact CG-CD1 4.17Å; V361-I367 HydrophobicContact CB-CD1 3.78Å; V361-I367 HydrophobicContact CG1-CD1 4.13Å; V361-I367 HydrophobicContact CG2-CD1 4.02Å; C364-I367 HydrophobicContact CB-CD1 3.35Å; C364-I367 HydrophobicContact CB-CG1 3.81Å; C364-I367 PolarHBondContact O-N 2.96Å; I367-L372 HydrophobicContact CG2-CD1 3.87Å; I367-L372 HydrophobicContact CG2-CD2 4.22Å; I367-L372 HydrophobicContact CG2-CG 3.74Å; I367-L392 WeakPolarHBondContact O-CB 3.24Å
368	T	98.2	Very high	97.5	Very high	35 Å²	35	34 Å²	34	22%	0.215	18%	0.181	C	C	.	.			trans	-120.1	179.6	176.1	80.4	0	0	0	0	111	D266 I370 G371 L372 L392	D266-T368 PolarHBondContact OD1-N 2.65Å; D266-T368 PolarHBondContact OD2-OG1 2.66Å; T368-I370 PolarHBondContact O-N 3.49Å; T368-I370 VanDerWaalsContact O-N 3.09Å; T368-I370 PolarHBondContact OG1-N 2.92Å; T368-I370 VanDerWaalsContact OG1-N 3.14Å; T368-G371 PolarHBondContact O-N 3.21Å; T368-L372 PolarHBondContact O-N 3.36Å; T368-L392 HydrophobicContact CG2-CB 4.21Å; T368-L392 HydrophobicContact CG2-CD1 3.88Å
369	D	98.3	Very high	97.4	Very high	25 Å²	25	33 Å²	33	13%	0.134	18%	0.175	C	C	.	.	H	α-helix	trans	-55.6	-25.4	172.7	-57.7	-61.2	0	0	0	112.9	S373 T394 T397	D369-S373 WeakPolarHBondContact O-CB 3.36Å; D369-S373 PolarHBondContact O-N 3.33Å; D369-S373 PolarHBondContact O-OG 2.81Å; D369-T394 VanDerWaalsContact CG-OG1 3.3Å; D369-T394 PolarHBondContact OD1-N 3.35Å; D369-T394 PolarHBondContact OD1-OG1 2.89Å; D369-T394 WeakPolarHBondContact OD2-CG2 3.18Å; D369-T394 PolarHBondContact OD2-OG1 3.46Å; D369-T397 WeakPolarHBondContact CA-OG1 3.28Å; D369-T397 VanDerWaalsContact OD1-CB 3.27Å; D369-T397 WeakPolarHBondContact OD1-CB 3.35Å; D369-T397 PolarHBondContact OD1-N 3.5Å; D369-T397 PolarHBondContact OD1-OG1 2.95Å
370	I	98	Very high	97.2	Very high	110 Å²	110	37 Å²	37	56%	0.564	20%	0.197	S	C	*	.	H	α-helix	trans	-65.2	-49.8	-178.6	-60.7	173.6	0	0	0	111.1	T368 A374	T368-I370 PolarHBondContact O-N 3.49Å; T368-I370 VanDerWaalsContact O-N 3.09Å; T368-I370 PolarHBondContact OG1-N 2.92Å; T368-I370 VanDerWaalsContact OG1-N 3.14Å; I370-A374 PolarHBondContact O-N 3.38Å
371	G	97.9	Very high	97.2	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-65.9	-42.6	179.2	0	0	0	0	0	111.9	D266 T368 A374 I375	D266-G371 WeakPolarHBondContact OD1-CA 3.2Å; D266-G371 PolarHBondContact OD1-N 2.83Å; D266-G371 VanDerWaalsContact OD1-N 3.11Å; T368-G371 PolarHBondContact O-N 3.21Å; G371-A374 WeakPolarHBondContact O-CB 3.45Å; G371-A374 PolarHBondContact O-N 3.36Å; G371-I375 PolarHBondContact O-N 3.03Å
372	L	98.3	Very high	97.2	Very high	4 Å²	4	39.3 Å²	39.3	2%	0.021	21%	0.206	C	C	.	.	H	α-helix	trans	-69.4	-35.3	179.9	-66.9	168.7	0	0	0	112.5	L269 I367 T368 A374 I375 A376 L387 V393 T397	L269-L372 HydrophobicContact CD1-CD2 3.78Å; L269-L372 HydrophobicContact CD1-CG 4.05Å; I367-L372 HydrophobicContact CG2-CD1 3.87Å; I367-L372 HydrophobicContact CG2-CD2 4.22Å; I367-L372 HydrophobicContact CG2-CG 3.74Å; T368-L372 PolarHBondContact O-N 3.36Å; L372-A374 VanDerWaalsContact C-N 3.28Å; L372-A374 PolarHBondContact O-N 2.89Å; L372-I375 PolarHBondContact O-N 2.99Å; L372-A376 WeakPolarHBondContact O-CB 3.4Å; L372-A376 PolarHBondContact O-N 3.18Å; L372-L387 HydrophobicContact CD1-CD1 3.95Å; L372-L387 HydrophobicContact CD1-CD2 3.97Å; L372-L387 HydrophobicContact CD2-CD2 3.67Å; L372-V393 HydrophobicContact CD1-CG1 4.49Å; L372-V393 HydrophobicContact CD1-CG2 3.54Å; L372-T397 HydrophobicContact CB-CG2 4Å; L372-T397 HydrophobicContact CD1-CG2 3.91Å
373	S	98.1	Very high	97.2	Very high	23 Å²	23	42.5 Å²	42.5	16%	0.161	22%	0.221	C	C	.	.	H	α-helix	trans	-59.4	-39.7	171.6	-62.8	0	0	0	0	111.7	D369 R377 Q400	D369-S373 WeakPolarHBondContact O-CB 3.36Å; D369-S373 PolarHBondContact O-N 3.33Å; D369-S373 PolarHBondContact O-OG 2.81Å; S373-R377 WeakPolarHBondContact O-CB 3.45Å; S373-R377 WeakPolarHBondContact O-CD 3.38Å; S373-R377 WeakPolarHBondContact O-CG 3.44Å; S373-R377 PolarHBondContact O-N 2.96Å; S373-R377 VanDerWaalsContact O-N 3.12Å; S373-Q400 WeakPolarHBondContact OG-CG 3.42Å
374	A	97.8	Very high	97.3	Very high	14 Å²	14	40.6 Å²	40.6	12%	0.116	22%	0.215	C	C	.	.	H	α-helix	trans	-65.2	-43	177.4	0	0	0	0	0	111.7	R270 A273 I370 G371 L372 V378	R270-A374 HydrophobicContact CG-CB 3.93Å; A273-A374 HydrophobicContact CB-CB 3.97Å; I370-A374 PolarHBondContact O-N 3.38Å; G371-A374 WeakPolarHBondContact O-CB 3.45Å; G371-A374 PolarHBondContact O-N 3.36Å; L372-A374 VanDerWaalsContact C-N 3.28Å; L372-A374 PolarHBondContact O-N 2.89Å; A374-V378 WeakPolarHBondContact O-CG2 3.43Å; A374-V378 PolarHBondContact O-N 2.98Å
375	I	98.2	Very high	97.4	Very high	2 Å²	2	40.6 Å²	40.6	1%	0.01	22%	0.215	C	C	.	.	H	α-helix	trans	-62	-51.7	174.3	-65	-69.7	0	0	0	110.6	L269 I272 A273 L359 G371 L372 R377 V378 C379 L382	L269-I375 HydrophobicContact CB-CD1 4.44Å; L269-I375 HydrophobicContact CB-CG1 4.08Å; L269-I375 HydrophobicContact CD1-CG1 4.36Å; L269-I375 HydrophobicContact CD2-CD1 4.49Å; L269-I375 HydrophobicContact CD2-CG1 4.33Å; L269-I375 WeakPolarHBondContact O-CD1 3.4Å; I272-I375 HydrophobicContact CB-CD1 4.11Å; I272-I375 HydrophobicContact CG2-CD1 3.87Å; A273-I375 HydrophobicContact CB-CD1 4.11Å; L359-I375 HydrophobicContact CD2-CD1 4.4Å; L359-I375 HydrophobicContact CD2-CG1 4.24Å; L359-I375 HydrophobicContact CD2-CG2 4.06Å; G371-I375 PolarHBondContact O-N 3.03Å; L372-I375 PolarHBondContact O-N 2.99Å; I375-R377 VanDerWaalsContact C-N 3.29Å; I375-R377 PolarHBondContact O-N 2.82Å; I375-V378 PolarHBondContact O-N 3.47Å; I375-V378 VanDerWaalsContact O-N 3.13Å; I375-C379 HydrophobicContact CG2-CB 4.14Å; I375-C379 WeakPolarHBondContact O-CB 3.39Å; I375-C379 PolarHBondContact O-N 2.9Å; I375-L382 HydrophobicContact CG2-CD2 4.43Å
376	A	97.8	Very high	97.7	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.008	19%	0.191	C	C	.	.	H	α-helix	trans	-55.7	-44.3	-176.6	0	0	0	0	0	112	L372 V378 Q400 L401 H404	L372-A376 WeakPolarHBondContact O-CB 3.4Å; L372-A376 PolarHBondContact O-N 3.18Å; A376-V378 VanDerWaalsContact C-N 3.3Å; A376-V378 PolarHBondContact O-N 2.87Å; A376-Q400 HydrophobicContact CB-CB 4.08Å; A376-L401 HydrophobicContact CB-CD2 4.01Å; A376-H404 HydrophobicContact CB-CB 4.46Å; A376-H404 WeakPolarHBondContact O-CB 3.17Å
377	R	96.9	Very high	97.8	Very high	161 Å²	161	35.2 Å²	35.2	61%	0.608	17%	0.173	S	C	*	.	H	α-helix	trans	-66.1	-26.5	-178.7	-73.1	171.2	64.4	92.9	1.7	114.5	S373 I375	S373-R377 WeakPolarHBondContact O-CB 3.45Å; S373-R377 WeakPolarHBondContact O-CD 3.38Å; S373-R377 WeakPolarHBondContact O-CG 3.44Å; S373-R377 PolarHBondContact O-N 2.96Å; S373-R377 VanDerWaalsContact O-N 3.12Å; I375-R377 VanDerWaalsContact C-N 3.29Å; I375-R377 PolarHBondContact O-N 2.82Å
378	V	96.2	Very high	97.8	Very high	42 Å²	42	38 Å²	38	26%	0.255	19%	0.185	S	C	.	.	H	α-helix	trans	-107.6	-46.3	-172.5	178.3	0	0	0	0	111.6	A273 T275 V354 A374 I375 A376 N380	A273-V378 HydrophobicContact CB-CG2 4.43Å; T275-V378 HydrophobicContact CG2-CG2 4.16Å; V354-V378 HydrophobicContact CB-CG1 4.45Å; V354-V378 HydrophobicContact CG1-CG1 3.75Å; A374-V378 WeakPolarHBondContact O-CG2 3.43Å; A374-V378 PolarHBondContact O-N 2.98Å; I375-V378 PolarHBondContact O-N 3.47Å; I375-V378 VanDerWaalsContact O-N 3.13Å; A376-V378 VanDerWaalsContact C-N 3.3Å; A376-V378 PolarHBondContact O-N 2.87Å; V378-N380 VanDerWaalsContact C-N 3.27Å; V378-N380 PolarHBondContact O-N 3.01Å
379	C	96.3	Very high	97.8	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.19	C	C	.	.			trans	-84.8	62.4	-176.4	-58.6	0	0	0	0	111.2	L356 I375 K381 L382	L356-C379 HydrophobicContact CB-CB 4.23Å; I375-C379 HydrophobicContact CG2-CB 4.14Å; I375-C379 WeakPolarHBondContact O-CB 3.39Å; I375-C379 PolarHBondContact O-N 2.9Å; C379-K381 PolarHBondContact O-N 3.45Å; C379-L382 VanDerWaalsContact O-CB 3.3Å; C379-L382 WeakPolarHBondContact O-CB 2.99Å; C379-L382 PolarHBondContact O-N 3.13Å
380	N	96.1	Very high	97.7	Very high	85 Å²	85	37.9 Å²	37.9	46%	0.455	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-3.4	-178.5	63.1	21	0	0	0	115.1	V378	V378-N380 VanDerWaalsContact C-N 3.27Å; V378-N380 PolarHBondContact O-N 3.01Å
381	K	97.4	Very high	97.4	Very high	78 Å²	78	34.5 Å²	34.5	34%	0.339	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.3	4.4	173.2	-61.4	-177.6	-169.9	165.5	0	113.3	S355 L356 T357 C379 E383	S355-K381 PolarHBondContact OG-NZ 3.31Å; L356-K381 CarbonylContact O-C 3.35Å; T357-K381 HydrophobicContact CG2-CB 4.45Å; C379-K381 PolarHBondContact O-N 3.45Å; K381-E383 PolarHBondContact O-N 2.85Å
382	L	98.2	Very high	97.4	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.191	C	C	.	.			trans	-59.6	125.3	-178.7	-163.4	67.7	0	0	0	110.6	L356 L359 I375 C379 L385 L401 R407 L408	L356-L382 PolarHBondContact O-N 2.72Å; L359-L382 HydrophobicContact CB-CD1 4.18Å; I375-L382 HydrophobicContact CG2-CD2 4.43Å; C379-L382 VanDerWaalsContact O-CB 3.3Å; C379-L382 WeakPolarHBondContact O-CB 2.99Å; C379-L382 PolarHBondContact O-N 3.13Å; L382-L385 HydrophobicContact CD2-CB 4.08Å; L382-L385 HydrophobicContact CD2-CD1 4.39Å; L382-L385 HydrophobicContact CD2-CD2 4.2Å; L382-L385 HydrophobicContact CD2-CG 4.45Å; L382-L401 HydrophobicContact CD2-CD2 4.45Å; L382-R407 CarbonylContact O-C 3.22Å; L382-R407 VanDerWaalsContact O-C 3.25Å; L382-L408 HydrophobicContact CD2-CD1 4.44Å; L382-L408 HydrophobicContact CG-CD1 4.31Å; L382-L408 WeakPolarHBondContact O-CA 3.28Å; L382-L408 PolarHBondContact O-N 3.39Å; L382-L408 VanDerWaalsContact O-N 3.12Å
383	E	98.5	Very high	97.3	Very high	72 Å²	72	38 Å²	38	34%	0.336	19%	0.19	S	C	.	.			trans	-112.9	-39	-177.5	-77	173.3	-162.3	0	0	111.1	T357 K381 R407 N409 T410	T357-E383 WeakPolarHBondContact O-CA 3.17Å; T357-E383 WeakPolarHBondContact O-CB 3.49Å; T357-E383 PolarHBondContact O-N 3.49Å; K381-E383 PolarHBondContact O-N 2.85Å; E383-R407 HydrophobicContact CG-CB 4.19Å; E383-N409 PolarHBondContact O-N 3.05Å; E383-N409 PolarHBondContact O-OD1 3.44Å; E383-T410 PolarHBondContact O-N 2.92Å
384	K	98.7	Very high	97.3	Very high	63 Å²	63	38.5 Å²	38.5	27%	0.274	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	130.3	177.1	177.9	178.9	179.6	-160.7	0	110.9	T357 T358 L359 E360 T410	T357-K384 PolarHBondContact O-N 2.96Å; T358-K384 VanDerWaalsContact CA-O 3.32Å; T358-K384 WeakPolarHBondContact CA-O 3.48Å; T358-K384 HydrophobicContact CG2-CB 3.95Å; T358-K384 HydrophobicContact CG2-CD 3.9Å; T358-K384 HydrophobicContact CG2-CG 4.05Å; L359-K384 PolarHBondContact N-O 3.22Å; E360-K384 IonicContact OE1-NZ 2.71Å; E360-K384 PolarHBondContact OE1-NZ 2.63Å; K384-T410 VanDerWaalsContact CA-O 3.32Å; K384-T410 WeakPolarHBondContact CA-O 3.43Å; K384-T410 HydrophobicContact CD-CG2 4.28Å; K384-T410 HydrophobicContact CG-CG2 3.92Å
385	L	98.7	Very high	97.3	Very high	2 Å²	2	38.9 Å²	38.9	1%	0.01	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	125.8	171.9	-178.3	60.9	0	0	0	109.8	L359 L382 L387 L401 L408 T410 L411 V412	L359-L385 HydrophobicContact CB-CD1 3.84Å; L359-L385 HydrophobicContact CD2-CD1 3.95Å; L359-L385 HydrophobicContact CG-CD1 4.03Å; L359-L385 WeakPolarHBondContact O-CA 3.34Å; L382-L385 HydrophobicContact CD2-CB 4.08Å; L382-L385 HydrophobicContact CD2-CD1 4.39Å; L382-L385 HydrophobicContact CD2-CD2 4.2Å; L382-L385 HydrophobicContact CD2-CG 4.45Å; L385-L387 HydrophobicContact CD1-CD2 3.85Å; L385-L387 HydrophobicContact CD1-CG 4.35Å; L385-L387 HydrophobicContact CD2-CD1 3.95Å; L385-L387 HydrophobicContact CD2-CD2 4.23Å; L385-L387 HydrophobicContact CD2-CG 4.13Å; L385-L387 HydrophobicContact CG-CD1 4.27Å; L385-L387 HydrophobicContact CG-CD2 3.94Å; L385-L387 HydrophobicContact CG-CG 3.89Å; L385-L401 HydrophobicContact CD2-CD1 3.79Å; L385-L401 HydrophobicContact CD2-CD2 3.86Å; L385-L401 HydrophobicContact CD2-CG 4.47Å; L385-L408 HydrophobicContact CB-CD1 4.06Å; L385-T410 PolarHBondContact N-O 3.33Å; L385-L411 HydrophobicContact CB-CD1 3.92Å; L385-L411 HydrophobicContact CD2-CD1 4.04Å; L385-L411 HydrophobicContact CG-CD1 4.12Å; L385-L411 WeakPolarHBondContact O-CA 3.13Å; L385-V412 PolarHBondContact O-N 3.34Å
386	D	98.6	Very high	97.3	Very high	22 Å²	22	41.4 Å²	41.4	12%	0.118	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	112.5	177.7	-176.9	-3.8	0	0	0	110.6	L359 E360 V361 A362 E388 V412	L359-D386 PolarHBondContact O-N 3.22Å; E360-D386 HydrophobicContact CB-CB 4.17Å; E360-D386 HydrophobicContact CG-CB 4.08Å; V361-D386 WeakPolarHBondContact CG2-O 3.2Å; V361-D386 PolarHBondContact N-O 2.75Å; A362-D386 PolarHBondContact N-O 3.47Å; D386-E388 PolarHBondContact OD1-N 3.18Å; D386-V412 HydrophobicContact CB-CB 4.34Å
387	L	98.3	Very high	97.4	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.21	C	C	.	.			trans	-117.6	22.6	-178.6	-53.9	178.9	0	0	0	111.6	V361 L372 L385 D389 C390 V393 T397 V412 L413 C416	V361-L387 HydrophobicContact CG2-CD2 3.56Å; L372-L387 HydrophobicContact CD1-CD1 3.95Å; L372-L387 HydrophobicContact CD1-CD2 3.97Å; L372-L387 HydrophobicContact CD2-CD2 3.67Å; L385-L387 HydrophobicContact CD1-CD2 3.85Å; L385-L387 HydrophobicContact CD1-CG 4.35Å; L385-L387 HydrophobicContact CD2-CD1 3.95Å; L385-L387 HydrophobicContact CD2-CD2 4.23Å; L385-L387 HydrophobicContact CD2-CG 4.13Å; L385-L387 HydrophobicContact CG-CD1 4.27Å; L385-L387 HydrophobicContact CG-CD2 3.94Å; L385-L387 HydrophobicContact CG-CG 3.89Å; L387-D389 PolarHBondContact O-N 2.92Å; L387-C390 HydrophobicContact CB-CB 4.27Å; L387-C390 WeakPolarHBondContact O-CB 3.27Å; L387-C390 PolarHBondContact O-N 3.31Å; L387-C390 VanDerWaalsContact O-N 3.08Å; L387-V393 HydrophobicContact CD1-CG1 4.17Å; L387-V393 HydrophobicContact CD1-CG2 4.4Å; L387-T397 HydrophobicContact CD1-CG2 4.2Å; L387-V412 WeakPolarHBondContact CA-O 3.27Å; L387-V412 WeakPolarHBondContact CB-O 3.42Å; L387-V412 PolarHBondContact N-O 3.21Å; L387-L413 HydrophobicContact CD1-CD2 4.03Å; L387-C416 PolarHBondContact O-SG 3.05Å; L387-C416 VanDerWaalsContact O-SG 3.4Å
388	E	97.8	Very high	97.4	Very high	58 Å²	58	33.7 Å²	33.7	27%	0.271	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.1	128.1	179.8	179.6	-166.5	136.3	0	0	110.5	A362 R363 D386 C390 V412 S414	A362-E388 CarbonylContact C-O 3.42Å; A362-E388 WeakPolarHBondContact CA-O 3.46Å; A362-E388 HydrophobicContact CB-CB 3.81Å; A362-E388 WeakPolarHBondContact CB-O 3.37Å; R363-E388 IonicContact CZ-OE1 2.79Å; R363-E388 PolarHBondContact N-O 3.15Å; R363-E388 IonicContact NE-OE1 3.35Å; R363-E388 PolarHBondContact NE-OE1 3.4Å; R363-E388 IonicContact NH2-OE1 2.81Å; R363-E388 PolarHBondContact NH2-OE1 2.92Å; D386-E388 PolarHBondContact OD1-N 3.18Å; E388-C390 PolarHBondContact O-N 3.47Å; E388-V412 HydrophobicContact CB-CG1 4.04Å; E388-S414 CarbonylContact C-O 3.44Å; E388-S414 VanDerWaalsContact CA-O 3.25Å; E388-S414 WeakPolarHBondContact CA-O 3.46Å
389	D	96.8	Very high	97.5	Very high	59 Å²	59	32.7 Å²	32.7	32%	0.316	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.9	36.8	176.9	-168.3	11	0	0	0	112.5	R363 L387 S414 H415	R363-D389 HydrophobicContact CG-CB 3.57Å; R363-D389 WeakPolarHBondContact CG-OD2 3.17Å; R363-D389 IonicContact CZ-OD2 3.47Å; R363-D389 IonicContact NE-OD2 3.73Å; L387-D389 PolarHBondContact O-N 2.92Å; D389-S414 PolarHBondContact N-O 3.48Å; D389-H415 HydrophobicContact CB-CB 3.98Å
390	C	96.3	Very high	97.6	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.188	C	C	.	.			trans	-93.3	76.4	161.8	-70	0	0	0	0	109.7	V361 L387 E388 L392 V393	V361-C390 PolarHBondContact O-SG 3.3Å; V361-C390 VanDerWaalsContact O-SG 3.38Å; L387-C390 HydrophobicContact CB-CB 4.27Å; L387-C390 WeakPolarHBondContact O-CB 3.27Å; L387-C390 PolarHBondContact O-N 3.31Å; L387-C390 VanDerWaalsContact O-N 3.08Å; E388-C390 PolarHBondContact O-N 3.47Å; C390-L392 PolarHBondContact O-N 3.18Å; C390-V393 HydrophobicContact CB-CG2 3.64Å; C390-V393 WeakPolarHBondContact O-CB 3.41Å; C390-V393 WeakPolarHBondContact O-CG2 3.43Å; C390-V393 PolarHBondContact O-N 3.02Å
391	A	93	Very high	97.7	Very high	38 Å²	38	31.1 Å²	31.1	31%	0.314	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-15	-169.7	0	0	0	0	0	116.6	Q418	A391-Q418 PolarHBondContact O-NE2 3.13Å
392	L	96.4	Very high	97.7	Very high	78 Å²	78	27.8 Å²	27.8	41%	0.408	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.5	0.3	178.5	-59.1	178.4	0	0	0	113.5	S365 I367 T368 C390	S365-L392 WeakPolarHBondContact O-CD1 3.49Å; I367-L392 WeakPolarHBondContact O-CB 3.24Å; T368-L392 HydrophobicContact CG2-CB 4.21Å; T368-L392 HydrophobicContact CG2-CD1 3.88Å; C390-L392 PolarHBondContact O-N 3.18Å
393	V	97.3	Very high	97.7	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.179	C	C	.	.			trans	-77.5	132.7	176.8	175.1	0	0	0	0	110	L372 L387 C390 T397	L372-V393 HydrophobicContact CD1-CG1 4.49Å; L372-V393 HydrophobicContact CD1-CG2 3.54Å; L387-V393 HydrophobicContact CD1-CG1 4.17Å; L387-V393 HydrophobicContact CD1-CG2 4.4Å; C390-V393 HydrophobicContact CB-CG2 3.64Å; C390-V393 WeakPolarHBondContact O-CB 3.41Å; C390-V393 WeakPolarHBondContact O-CG2 3.43Å; C390-V393 PolarHBondContact O-N 3.02Å; V393-T397 HydrophobicContact CG1-CG2 4.12Å
394	T	98.3	Very high	97.7	Very high	34 Å²	34	31.2 Å²	31.2	21%	0.209	18%	0.176	C	C	.	.	B	Isolated β-bridge	trans	-124.3	-178.9	179.6	75	0	0	0	0	111.6	D369 S396 T397 Q418	D369-T394 VanDerWaalsContact CG-OG1 3.3Å; D369-T394 PolarHBondContact OD1-N 3.35Å; D369-T394 PolarHBondContact OD1-OG1 2.89Å; D369-T394 WeakPolarHBondContact OD2-CG2 3.18Å; D369-T394 PolarHBondContact OD2-OG1 3.46Å; T394-S396 PolarHBondContact O-N 3.26Å; T394-S396 WeakPolarHBondContact OG1-CB 3.37Å; T394-S396 PolarHBondContact OG1-N 2.91Å; T394-T397 PolarHBondContact O-N 3.3Å; T394-Q418 HydrophobicContact CG2-CB 4.03Å
395	D	98.4	Very high	97.6	Very high	22 Å²	22	28.2 Å²	28.2	12%	0.118	16%	0.162	C	C	.	.	H	α-helix	trans	-54.8	-19.9	172.5	-61.8	-19	0	0	0	113.5	L398 A399 V419 T420 G423	D395-L398 PolarHBondContact O-N 3.18Å; D395-A399 PolarHBondContact O-N 2.78Å; D395-V419 WeakPolarHBondContact OD1-CA 3.21Å; D395-T420 PolarHBondContact OD1-N 2.71Å; D395-T420 PolarHBondContact OD2-OG1 2.89Å; D395-G423 VanDerWaalsContact CG-CA 3.46Å; D395-G423 WeakPolarHBondContact OD1-CA 3.32Å; D395-G423 PolarHBondContact OD1-N 3.02Å
396	S	98.2	Very high	97.5	Very high	54 Å²	54	30.5 Å²	30.5	38%	0.378	18%	0.178	S	C	.	.	H	α-helix	trans	-62.5	-43.3	174.8	-176.4	0	0	0	0	111.8	T394 L398 A399 Q400	T394-S396 PolarHBondContact O-N 3.26Å; T394-S396 WeakPolarHBondContact OG1-CB 3.37Å; T394-S396 PolarHBondContact OG1-N 2.91Å; S396-L398 VanDerWaalsContact C-N 3.34Å; S396-L398 PolarHBondContact O-N 3.25Å; S396-A399 PolarHBondContact O-N 2.65Å; S396-Q400 WeakPolarHBondContact O-CG 3.42Å; S396-Q400 PolarHBondContact O-N 2.91Å; S396-Q400 VanDerWaalsContact O-N 3.09Å
397	T	98.3	Very high	97.5	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.006	20%	0.195	C	C	.	.	H	α-helix	trans	-60	-46	174.5	-73.5	0	0	0	0	110.9	D369 L372 L387 V393 T394 A399 Q400 L401	D369-T397 WeakPolarHBondContact CA-OG1 3.28Å; D369-T397 VanDerWaalsContact OD1-CB 3.27Å; D369-T397 WeakPolarHBondContact OD1-CB 3.35Å; D369-T397 PolarHBondContact OD1-N 3.5Å; D369-T397 PolarHBondContact OD1-OG1 2.95Å; L372-T397 HydrophobicContact CB-CG2 4Å; L372-T397 HydrophobicContact CD1-CG2 3.91Å; L387-T397 HydrophobicContact CD1-CG2 4.2Å; V393-T397 HydrophobicContact CG1-CG2 4.12Å; T394-T397 PolarHBondContact O-N 3.3Å; T397-A399 VanDerWaalsContact C-N 3.31Å; T397-A399 PolarHBondContact O-N 3.14Å; T397-Q400 PolarHBondContact O-N 3.17Å; T397-Q400 VanDerWaalsContact O-N 3.08Å; T397-L401 HydrophobicContact CG2-CD1 3.9Å; T397-L401 HydrophobicContact CG2-CG 4.25Å; T397-L401 WeakPolarHBondContact O-CG 3.47Å; T397-L401 PolarHBondContact O-N 3.04Å
398	L	98.3	Very high	97.5	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-61.9	-39.8	-179.7	-59.7	-171.5	0	0	0	111.9	D395 S396 Q400 L401 A402 L411 L413 V419 G423 I424	D395-L398 PolarHBondContact O-N 3.18Å; S396-L398 VanDerWaalsContact C-N 3.34Å; S396-L398 PolarHBondContact O-N 3.25Å; L398-Q400 VanDerWaalsContact C-N 3.34Å; L398-Q400 PolarHBondContact O-N 3.15Å; L398-L401 HydrophobicContact CD2-CD1 4.3Å; L398-L401 PolarHBondContact O-N 3.17Å; L398-A402 VanDerWaalsContact O-CB 3.27Å; L398-A402 WeakPolarHBondContact O-CB 3.36Å; L398-A402 PolarHBondContact O-N 2.76Å; L398-L411 HydrophobicContact CD2-CD2 3.92Å; L398-L413 HydrophobicContact CD1-CD1 4.07Å; L398-L413 HydrophobicContact CD2-CD1 3.76Å; L398-L413 HydrophobicContact CD2-CD2 3.93Å; L398-L413 HydrophobicContact CD2-CG 4.47Å; L398-V419 HydrophobicContact CD1-CG1 3.63Å; L398-V419 HydrophobicContact CD1-CG2 4.43Å; L398-G423 VanDerWaalsContact CD1-C 3.46Å; L398-I424 HydrophobicContact CD1-CD1 3.88Å
399	A	98.2	Very high	97.5	Very high	20 Å²	20	34.3 Å²	34.3	17%	0.165	19%	0.19	C	C	.	.	H	α-helix	trans	-61.5	-39.6	173.4	0	0	0	0	0	112.5	D395 S396 T397 V403	D395-A399 PolarHBondContact O-N 2.78Å; S396-A399 PolarHBondContact O-N 2.65Å; T397-A399 VanDerWaalsContact C-N 3.31Å; T397-A399 PolarHBondContact O-N 3.14Å; A399-V403 VanDerWaalsContact O-CG2 3.31Å; A399-V403 WeakPolarHBondContact O-CG2 3.45Å; A399-V403 PolarHBondContact O-N 3.23Å
400	Q	98.1	Very high	97.6	Very high	50 Å²	50	32.8 Å²	32.8	23%	0.234	18%	0.183	C	C	.	.	H	α-helix	trans	-69.8	-40.7	176.9	-65.7	-59.1	-59.5	0	0	112.5	S373 A376 S396 T397 L398 V403 H404	S373-Q400 WeakPolarHBondContact OG-CG 3.42Å; A376-Q400 HydrophobicContact CB-CB 4.08Å; S396-Q400 WeakPolarHBondContact O-CG 3.42Å; S396-Q400 PolarHBondContact O-N 2.91Å; S396-Q400 VanDerWaalsContact O-N 3.09Å; T397-Q400 PolarHBondContact O-N 3.17Å; T397-Q400 VanDerWaalsContact O-N 3.08Å; L398-Q400 VanDerWaalsContact C-N 3.34Å; L398-Q400 PolarHBondContact O-N 3.15Å; Q400-V403 PolarHBondContact O-N 2.92Å; Q400-H404 WeakPolarHBondContact O-CB 3.25Å; Q400-H404 PolarHBondContact O-CD2 3.09Å; Q400-H404 PolarHBondContact O-N 3.45Å
401	L	98.2	Very high	97.7	Very high	3 Å²	3	32.8 Å²	32.8	2%	0.016	18%	0.183	C	C	.	.	H	α-helix	trans	-61.9	-44.4	175.1	-66.7	173.3	0	0	0	111.1	A376 L382 L385 T397 L398 V403 H404 C405 L408 L411 L427	A376-L401 HydrophobicContact CB-CD2 4.01Å; L382-L401 HydrophobicContact CD2-CD2 4.45Å; L385-L401 HydrophobicContact CD2-CD1 3.79Å; L385-L401 HydrophobicContact CD2-CD2 3.86Å; L385-L401 HydrophobicContact CD2-CG 4.47Å; T397-L401 HydrophobicContact CG2-CD1 3.9Å; T397-L401 HydrophobicContact CG2-CG 4.25Å; T397-L401 WeakPolarHBondContact O-CG 3.47Å; T397-L401 PolarHBondContact O-N 3.04Å; L398-L401 HydrophobicContact CD2-CD1 4.3Å; L398-L401 PolarHBondContact O-N 3.17Å; L401-V403 VanDerWaalsContact C-N 3.25Å; L401-V403 PolarHBondContact O-N 3.49Å; L401-H404 PolarHBondContact O-N 3.31Å; L401-C405 HydrophobicContact CD2-CB 4.45Å; L401-C405 WeakPolarHBondContact O-CB 3.23Å; L401-C405 PolarHBondContact O-N 3.14Å; L401-L408 HydrophobicContact CB-CD2 4.34Å; L401-L408 HydrophobicContact CD1-CD2 4.25Å; L401-L411 HydrophobicContact CD1-CD1 4.19Å; L401-L411 HydrophobicContact CD1-CD2 4.4Å; L401-L427 HydrophobicContact CB-CD1 4.33Å
402	A	97.6	Very high	97.9	Very high	7 Å²	7	31.9 Å²	31.9	6%	0.058	17%	0.174	C	C	.	.	H	α-helix	trans	-55.4	-39.2	177	0	0	0	0	0	112.7	L398 R426 L431	L398-A402 VanDerWaalsContact O-CB 3.27Å; L398-A402 WeakPolarHBondContact O-CB 3.36Å; L398-A402 PolarHBondContact O-N 2.76Å; A402-R426 VanDerWaalsContact CB-O 3.22Å; A402-R426 WeakPolarHBondContact CB-O 3.5Å; A402-L431 WeakPolarHBondContact O-CG 3.37Å; A402-L431 PolarHBondContact O-N 3.31Å
403	V	97.8	Very high	98	Very high	88 Å²	88	28.2 Å²	28.2	53%	0.533	15%	0.154	S	C	.	.	H	α-helix	trans	-84.4	-32.7	-176.8	175.4	0	0	0	0	112.9	A399 Q400 L401 L431	A399-V403 VanDerWaalsContact O-CG2 3.31Å; A399-V403 WeakPolarHBondContact O-CG2 3.45Å; A399-V403 PolarHBondContact O-N 3.23Å; Q400-V403 PolarHBondContact O-N 2.92Å; L401-V403 VanDerWaalsContact C-N 3.25Å; L401-V403 PolarHBondContact O-N 3.49Å; V403-L431 WeakPolarHBondContact O-CD1 3.36Å
404	H	97.6	Very high	98	Very high	56 Å²	56	28.4 Å²	28.4	26%	0.259	16%	0.156	S	C	.	.	H	α-helix	trans	-116.3	-14.7	-166.6	-64.6	-62.5	0	0	0	115.9	A376 Q400 L401 P406	A376-H404 HydrophobicContact CB-CB 4.46Å; A376-H404 WeakPolarHBondContact O-CB 3.17Å; Q400-H404 WeakPolarHBondContact O-CB 3.25Å; Q400-H404 PolarHBondContact O-CD2 3.09Å; Q400-H404 PolarHBondContact O-N 3.45Å; L401-H404 PolarHBondContact O-N 3.31Å; H404-P406 VanDerWaalsContact C-CD 3.45Å; H404-P406 WeakPolarHBondContact O-CD 3.45Å
405	C	97.3	Very high	97.9	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.16	C	C	.	.			trans	-113.8	72.8	-172.7	-61.1	0	0	0	0	112.9	L401 R407 L408 C432	L401-C405 HydrophobicContact CD2-CB 4.45Å; L401-C405 WeakPolarHBondContact O-CB 3.23Å; L401-C405 PolarHBondContact O-N 3.14Å; C405-R407 PolarHBondContact O-N 3.47Å; C405-L408 HydrophobicContact CB-CB 4.21Å; C405-L408 PolarHBondContact O-N 3.4Å; C405-C432 WeakPolarHBondContact O-CB 3.31Å
406	P	97.2	Very high	97.7	Very high	51 Å²	51	28.8 Å²	28.8	33%	0.331	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	6	-174.5	33.1	-39.9	0	0	0	114.9	H404 L431 Q436	H404-P406 VanDerWaalsContact C-CD 3.45Å; H404-P406 WeakPolarHBondContact O-CD 3.45Å; P406-L431 HydrophobicContact CB-CB 3.97Å; P406-L431 HydrophobicContact CB-CD1 4.17Å; P406-Q436 VanDerWaalsContact O-CG 3.3Å; P406-Q436 WeakPolarHBondContact O-CG 3.49Å
407	R	97.5	Very high	97.5	Very high	127 Å²	127	30.1 Å²	30.1	48%	0.479	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-120.6	-1.3	-179.7	-63.1	-167.6	-179.7	-166.3	-3.3	113.5	L382 E383 C405 N409	L382-R407 CarbonylContact O-C 3.22Å; L382-R407 VanDerWaalsContact O-C 3.25Å; E383-R407 HydrophobicContact CG-CB 4.19Å; C405-R407 PolarHBondContact O-N 3.47Å; R407-N409 PolarHBondContact O-N 3.32Å; R407-N409 VanDerWaalsContact O-N 3.13Å
408	L	98.2	Very high	97.4	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.178	C	C	.	.			trans	-63	117.7	-176.3	-169.8	68.8	0	0	0	109.1	L382 L385 L401 C405 L411 C432 Q436	L382-L408 HydrophobicContact CD2-CD1 4.44Å; L382-L408 HydrophobicContact CG-CD1 4.31Å; L382-L408 WeakPolarHBondContact O-CA 3.28Å; L382-L408 PolarHBondContact O-N 3.39Å; L382-L408 VanDerWaalsContact O-N 3.12Å; L385-L408 HydrophobicContact CB-CD1 4.06Å; L401-L408 HydrophobicContact CB-CD2 4.34Å; L401-L408 HydrophobicContact CD1-CD2 4.25Å; C405-L408 HydrophobicContact CB-CB 4.21Å; C405-L408 PolarHBondContact O-N 3.4Å; L408-L411 HydrophobicContact CD2-CB 4.35Å; L408-L411 HydrophobicContact CD2-CD1 4.46Å; L408-L411 HydrophobicContact CD2-CD2 4.4Å; L408-C432 HydrophobicContact CB-CB 3.95Å; L408-C432 WeakPolarHBondContact O-CB 3.36Å; L408-Q436 WeakPolarHBondContact O-CB 3.47Å
409	N	98	Very high	97.4	Very high	32 Å²	32	34.5 Å²	34.5	17%	0.171	18%	0.178	C	C	.	.			trans	-117.8	-24.9	-178.3	64.7	55.2	0	0	0	112.7	E383 R407 Q436 Q438 T439	E383-N409 PolarHBondContact O-N 3.05Å; E383-N409 PolarHBondContact O-OD1 3.44Å; R407-N409 PolarHBondContact O-N 3.32Å; R407-N409 VanDerWaalsContact O-N 3.13Å; N409-Q436 WeakPolarHBondContact CA-O 2.92Å; N409-Q436 VanDerWaalsContact CB-O 3.24Å; N409-Q436 WeakPolarHBondContact CB-O 3.26Å; N409-Q438 HydrophobicContact CB-CB 4.49Å; N409-Q438 WeakPolarHBondContact O-CA 3.38Å; N409-Q438 PolarHBondContact O-N 3.41Å; N409-T439 PolarHBondContact O-N 2.76Å
410	T	98.6	Very high	97.4	Very high	27 Å²	27	35.5 Å²	35.5	17%	0.166	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	121.2	178.7	-56.3	0	0	0	0	109.2	E383 K384 L385 T439	E383-T410 PolarHBondContact O-N 2.92Å; K384-T410 VanDerWaalsContact CA-O 3.32Å; K384-T410 WeakPolarHBondContact CA-O 3.43Å; K384-T410 HydrophobicContact CD-CG2 4.28Å; K384-T410 HydrophobicContact CG-CG2 3.92Å; L385-T410 PolarHBondContact N-O 3.33Å; T410-T439 WeakPolarHBondContact CA-O 3.25Å; T410-T439 HydrophobicContact CG2-CG2 4.21Å
411	L	98.5	Very high	97.4	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	127.9	175.4	-179.3	63.9	0	0	0	109.9	L385 L398 L401 L408 L413 L427 T439 L440 A441	L385-L411 HydrophobicContact CB-CD1 3.92Å; L385-L411 HydrophobicContact CD2-CD1 4.04Å; L385-L411 HydrophobicContact CG-CD1 4.12Å; L385-L411 WeakPolarHBondContact O-CA 3.13Å; L398-L411 HydrophobicContact CD2-CD2 3.92Å; L401-L411 HydrophobicContact CD1-CD1 4.19Å; L401-L411 HydrophobicContact CD1-CD2 4.4Å; L408-L411 HydrophobicContact CD2-CB 4.35Å; L408-L411 HydrophobicContact CD2-CD1 4.46Å; L408-L411 HydrophobicContact CD2-CD2 4.4Å; L411-L413 HydrophobicContact CD1-CD2 4.15Å; L411-L413 HydrophobicContact CD1-CG 4.44Å; L411-L413 HydrophobicContact CD2-CD1 3.84Å; L411-L413 HydrophobicContact CD2-CD2 4.19Å; L411-L413 HydrophobicContact CD2-CG 4Å; L411-L413 HydrophobicContact CG-CD1 4.28Å; L411-L413 HydrophobicContact CG-CD2 4.14Å; L411-L413 HydrophobicContact CG-CG 3.92Å; L411-L427 HydrophobicContact CD2-CD1 4.32Å; L411-L427 HydrophobicContact CD2-CD2 3.52Å; L411-T439 PolarHBondContact N-O 2.94Å; L411-L440 HydrophobicContact CB-CD1 4.04Å; L411-L440 HydrophobicContact CD2-CD1 4.13Å; L411-L440 HydrophobicContact CG-CD1 4.21Å; L411-L440 WeakPolarHBondContact O-CA 3.43Å; L411-A441 PolarHBondContact O-N 2.82Å
412	V	98.4	Very high	97.4	Very high	20 Å²	20	38.9 Å²	38.9	12%	0.121	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	118.8	174.6	-178	0	0	0	0	108.4	L385 D386 L387 E388 A441	L385-V412 PolarHBondContact O-N 3.34Å; D386-V412 HydrophobicContact CB-CB 4.34Å; L387-V412 WeakPolarHBondContact CA-O 3.27Å; L387-V412 WeakPolarHBondContact CB-O 3.42Å; L387-V412 PolarHBondContact N-O 3.21Å; E388-V412 HydrophobicContact CB-CG1 4.04Å; V412-A441 HydrophobicContact CB-CB 4.41Å; V412-A441 HydrophobicContact CG1-CB 4.1Å; V412-A441 HydrophobicContact CG2-CB 4.24Å
413	L	97.8	Very high	97.4	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.196	C	C	.	.			trans	-120.2	13.2	178.7	-60.8	170.8	0	0	0	111.3	L387 L398 L411 H415 C416 V419 I424 L440 A441 M442 C445	L387-L413 HydrophobicContact CD1-CD2 4.03Å; L398-L413 HydrophobicContact CD1-CD1 4.07Å; L398-L413 HydrophobicContact CD2-CD1 3.76Å; L398-L413 HydrophobicContact CD2-CD2 3.93Å; L398-L413 HydrophobicContact CD2-CG 4.47Å; L411-L413 HydrophobicContact CD1-CD2 4.15Å; L411-L413 HydrophobicContact CD1-CG 4.44Å; L411-L413 HydrophobicContact CD2-CD1 3.84Å; L411-L413 HydrophobicContact CD2-CD2 4.19Å; L411-L413 HydrophobicContact CD2-CG 4Å; L411-L413 HydrophobicContact CG-CD1 4.28Å; L411-L413 HydrophobicContact CG-CD2 4.14Å; L411-L413 HydrophobicContact CG-CG 3.92Å; L413-H415 PolarHBondContact O-N 2.95Å; L413-C416 HydrophobicContact CB-CB 4.33Å; L413-C416 WeakPolarHBondContact O-CB 3.28Å; L413-C416 PolarHBondContact O-N 3.41Å; L413-C416 PolarHBondContact O-SG 3.37Å; L413-C416 VanDerWaalsContact O-SG 3.39Å; L413-V419 HydrophobicContact CD1-CG1 4.47Å; L413-I424 HydrophobicContact CD1-CD1 4.15Å; L413-L440 HydrophobicContact CD1-CD1 4.22Å; L413-A441 PolarHBondContact N-O 2.81Å; L413-M442 HydrophobicContact CB-CG 4.47Å; L413-M442 HydrophobicContact CD1-CG 4.45Å; L413-C445 PolarHBondContact O-SG 3.39Å
414	S	96.8	Very high	97.4	Very high	5 Å²	5	34.3 Å²	34.3	4%	0.035	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	134.2	-176.5	-56.8	0	0	0	0	110.4	E388 D389 C416 D443	E388-S414 CarbonylContact C-O 3.44Å; E388-S414 VanDerWaalsContact CA-O 3.25Å; E388-S414 WeakPolarHBondContact CA-O 3.46Å; D389-S414 PolarHBondContact N-O 3.48Å; S414-C416 VanDerWaalsContact C-N 3.28Å; S414-C416 PolarHBondContact O-N 3.06Å; S414-D443 CarbonylContact C-O 3.25Å; S414-D443 WeakPolarHBondContact CA-O 3.44Å; S414-D443 PolarHBondContact OG-N 3.12Å; S414-D443 PolarHBondContact OG-OD2 3.11Å
415	H	96.1	Very high	97.5	Very high	64 Å²	64	31.9 Å²	31.9	30%	0.296	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.6	21.8	-172.2	-55.8	-84.4	0	0	0	115.9	D389 L413 D417 D443 N444	D389-H415 HydrophobicContact CB-CB 3.98Å; L413-H415 PolarHBondContact O-N 2.95Å; H415-D417 PolarHBondContact O-N 3.13Å; H415-D443 PolarHBondContact N-O 3.39Å; H415-N444 WeakPolarHBondContact CE1-CB 3.44Å; H415-N444 PolarHBondContact CE1-ND2 3.22Å; H415-N444 VanDerWaalsContact ND1-CB 3.34Å; H415-N444 WeakPolarHBondContact ND1-CB 3.18Å
416	C	95.9	Very high	97.5	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.178	C	C	.	.			trans	-85.6	82.4	167.2	-69	0	0	0	0	110.8	L387 L413 S414 Q418 V419	L387-C416 PolarHBondContact O-SG 3.05Å; L387-C416 VanDerWaalsContact O-SG 3.4Å; L413-C416 HydrophobicContact CB-CB 4.33Å; L413-C416 WeakPolarHBondContact O-CB 3.28Å; L413-C416 PolarHBondContact O-N 3.41Å; L413-C416 PolarHBondContact O-SG 3.37Å; L413-C416 VanDerWaalsContact O-SG 3.39Å; S414-C416 VanDerWaalsContact C-N 3.28Å; S414-C416 PolarHBondContact O-N 3.06Å; C416-Q418 PolarHBondContact O-N 2.82Å; C416-V419 HydrophobicContact CB-CB 4.43Å; C416-V419 HydrophobicContact CB-CG2 3.72Å; C416-V419 PolarHBondContact O-N 2.94Å; C416-V419 VanDerWaalsContact O-N 3.15Å
417	D	93.9	Very high	97.5	Very high	82 Å²	82	34.2 Å²	34.2	44%	0.439	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-18	-169.3	-66.2	-14.5	0	0	0	116.2	H415 P446 L447	H415-D417 PolarHBondContact O-N 3.13Å; D417-P446 HydrophobicContact CB-CG 4.46Å; D417-L447 VanDerWaalsContact O-CD1 3.24Å; D417-L447 WeakPolarHBondContact O-CD1 3.14Å
418	Q	95.9	Very high	97.5	Very high	92 Å²	92	28.1 Å²	28.1	43%	0.43	14%	0.139	S	C	.	.	B	Isolated β-bridge	trans	-101	1.1	-176.8	-62.4	-174.9	67.2	0	0	113.9	A391 T394 C416	A391-Q418 PolarHBondContact O-NE2 3.13Å; T394-Q418 HydrophobicContact CG2-CB 4.03Å; C416-Q418 PolarHBondContact O-N 2.82Å
419	V	97.5	Very high	97.4	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.167	C	C	.	.			trans	-79.9	131.8	176.1	172.9	0	0	0	0	109.8	D395 L398 L413 C416 I424 L448	D395-V419 WeakPolarHBondContact OD1-CA 3.21Å; L398-V419 HydrophobicContact CD1-CG1 3.63Å; L398-V419 HydrophobicContact CD1-CG2 4.43Å; L413-V419 HydrophobicContact CD1-CG1 4.47Å; C416-V419 HydrophobicContact CB-CB 4.43Å; C416-V419 HydrophobicContact CB-CG2 3.72Å; C416-V419 PolarHBondContact O-N 2.94Å; C416-V419 VanDerWaalsContact O-N 3.15Å; V419-I424 HydrophobicContact CG1-CD1 4.01Å; V419-I424 HydrophobicContact CG1-CG1 4.38Å; V419-L448 HydrophobicContact CG1-CD2 4.37Å
420	T	98.3	Very high	97.3	Very high	42 Å²	42	33.2 Å²	33.2	26%	0.258	17%	0.165	S	C	.	.			trans	-119.3	173.3	-178.3	82.2	0	0	0	0	112.1	D395 E422 G423 I424 L447 L448	D395-T420 PolarHBondContact OD1-N 2.71Å; D395-T420 PolarHBondContact OD2-OG1 2.89Å; T420-E422 PolarHBondContact O-N 3.32Å; T420-E422 PolarHBondContact OG1-N 3.39Å; T420-G423 PolarHBondContact O-N 3.31Å; T420-G423 VanDerWaalsContact O-N 3.07Å; T420-I424 PolarHBondContact O-N 3.06Å; T420-L447 HydrophobicContact CG2-CB 4.34Å; T420-L447 HydrophobicContact CG2-CD1 3.93Å; T420-L448 VanDerWaalsContact C-CD2 3.48Å
421	D	98.3	Very high	97.2	Very high	29 Å²	29	36.8 Å²	36.8	16%	0.155	18%	0.183	C	C	.	.	H	α-helix	trans	-54.4	-33.3	175.3	-59.5	-32.4	0	0	0	112.4	I424 A425 L448 T449 A451 A452	D421-I424 PolarHBondContact O-N 2.93Å; D421-A425 WeakPolarHBondContact O-CB 3.06Å; D421-A425 PolarHBondContact O-N 3.12Å; D421-L448 WeakPolarHBondContact OD1-CA 3.33Å; D421-T449 PolarHBondContact OD1-N 2.83Å; D421-T449 WeakPolarHBondContact OD2-CB 3.36Å; D421-T449 PolarHBondContact OD2-OG1 3.16Å; D421-A451 HydrophobicContact CB-CB 4.24Å; D421-A452 HydrophobicContact CB-CB 4.38Å; D421-A452 WeakPolarHBondContact OD1-CB 3.36Å; D421-A452 PolarHBondContact OD1-N 3.3Å
422	E	98.2	Very high	97.1	Very high	94 Å²	94	36.8 Å²	36.8	44%	0.439	18%	0.183	S	C	.	.	H	α-helix	trans	-65.9	-40	177.7	174.9	63.7	-163.1	0	0	112	T420 I424 A425 R426	T420-E422 PolarHBondContact O-N 3.32Å; T420-E422 PolarHBondContact OG1-N 3.39Å; E422-I424 VanDerWaalsContact C-N 3.34Å; E422-A425 PolarHBondContact O-N 2.92Å; E422-R426 VanDerWaalsContact CG-NH2 3.34Å; E422-R426 WeakPolarHBondContact O-CG 3.43Å; E422-R426 PolarHBondContact O-N 3.22Å; E422-R426 IonicContact OE1-CZ 3.22Å; E422-R426 IonicContact OE1-NE 2.85Å; E422-R426 PolarHBondContact OE1-NE 3.13Å; E422-R426 IonicContact OE1-NH2 2.65Å; E422-R426 PolarHBondContact OE1-NH2 2.9Å
423	G	98.1	Very high	96.9	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-63.6	-41.5	175	0	0	0	0	0	112	D395 L398 T420 R426 L427	D395-G423 VanDerWaalsContact CG-CA 3.46Å; D395-G423 WeakPolarHBondContact OD1-CA 3.32Å; D395-G423 PolarHBondContact OD1-N 3.02Å; L398-G423 VanDerWaalsContact CD1-C 3.46Å; T420-G423 PolarHBondContact O-N 3.31Å; T420-G423 VanDerWaalsContact O-N 3.07Å; G423-R426 PolarHBondContact O-N 3.37Å; G423-L427 PolarHBondContact O-N 2.93Å
424	I	98.1	Very high	96.7	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-66.2	-41.3	175.7	-58.2	-52.2	0	0	0	111.3	L398 L413 V419 T420 D421 E422 R426 L427 A428 M442 L448 A452 L456	L398-I424 HydrophobicContact CD1-CD1 3.88Å; L413-I424 HydrophobicContact CD1-CD1 4.15Å; V419-I424 HydrophobicContact CG1-CD1 4.01Å; V419-I424 HydrophobicContact CG1-CG1 4.38Å; T420-I424 PolarHBondContact O-N 3.06Å; D421-I424 PolarHBondContact O-N 2.93Å; E422-I424 VanDerWaalsContact C-N 3.34Å; I424-R426 PolarHBondContact O-N 2.79Å; I424-L427 PolarHBondContact O-N 2.98Å; I424-A428 VanDerWaalsContact O-CB 3.29Å; I424-A428 WeakPolarHBondContact O-CB 3.45Å; I424-A428 PolarHBondContact O-N 3.2Å; I424-M442 HydrophobicContact CD1-SD 3.31Å; I424-M442 WeakPolarHBondContact CD1-SD 3.43Å; I424-M442 HydrophobicContact CG1-SD 3.89Å; I424-L448 HydrophobicContact CG1-CD2 3.77Å; I424-A452 HydrophobicContact CB-CB 4.12Å; I424-A452 HydrophobicContact CG1-CB 4.22Å; I424-A452 HydrophobicContact CG2-CB 4.04Å; I424-L456 HydrophobicContact CG2-CD1 4.05Å; I424-L456 HydrophobicContact CG2-CD2 3.86Å; I424-L456 HydrophobicContact CG2-CG 3.7Å
425	A	98	Very high	96.4	Very high	4 Å²	4	41.6 Å²	41.6	3%	0.033	21%	0.21	C	C	.	.	H	α-helix	trans	-56.2	-49.9	174.7	0	0	0	0	0	111.4	D421 E422 L427 A428 E429 H455	D421-A425 WeakPolarHBondContact O-CB 3.06Å; D421-A425 PolarHBondContact O-N 3.12Å; E422-A425 PolarHBondContact O-N 2.92Å; A425-L427 PolarHBondContact O-N 3.16Å; A425-A428 PolarHBondContact O-N 3.2Å; A425-E429 WeakPolarHBondContact O-CB 3.39Å; A425-E429 WeakPolarHBondContact O-CG 3.47Å; A425-E429 PolarHBondContact O-N 3.4Å; A425-H455 HydrophobicContact CB-CB 4.18Å
426	R	97.8	Very high	96.4	Very high	100 Å²	100	41.7 Å²	41.7	38%	0.377	21%	0.21	S	C	.	.	H	α-helix	trans	-61.4	-40.9	177.7	-69.7	-179.5	-167.9	146.2	3.9	112.9	A402 E422 G423 I424 G430	A402-R426 VanDerWaalsContact CB-O 3.22Å; A402-R426 WeakPolarHBondContact CB-O 3.5Å; E422-R426 VanDerWaalsContact CG-NH2 3.34Å; E422-R426 WeakPolarHBondContact O-CG 3.43Å; E422-R426 PolarHBondContact O-N 3.22Å; E422-R426 IonicContact OE1-CZ 3.22Å; E422-R426 IonicContact OE1-NE 2.85Å; E422-R426 PolarHBondContact OE1-NE 3.13Å; E422-R426 IonicContact OE1-NH2 2.65Å; E422-R426 PolarHBondContact OE1-NH2 2.9Å; G423-R426 PolarHBondContact O-N 3.37Å; I424-R426 PolarHBondContact O-N 2.79Å; R426-G430 PolarHBondContact O-N 3.43Å
427	L	97.8	Very high	96.4	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-63.2	-44.3	176.1	-176.1	71.3	0	0	0	111.5	L401 L411 G423 I424 A425 G430 L437 L440	L401-L427 HydrophobicContact CB-CD1 4.33Å; L411-L427 HydrophobicContact CD2-CD1 4.32Å; L411-L427 HydrophobicContact CD2-CD2 3.52Å; G423-L427 PolarHBondContact O-N 2.93Å; I424-L427 PolarHBondContact O-N 2.98Å; A425-L427 PolarHBondContact O-N 3.16Å; L427-G430 PolarHBondContact O-N 3.31Å; L427-L437 HydrophobicContact CD2-CD2 4.23Å; L427-L440 HydrophobicContact CD2-CD1 4.48Å
428	A	96.9	Very high	96.6	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-66.6	-37.8	-178.6	0	0	0	0	0	112.3	I424 A425 G430 G433 P434 L456 N459	I424-A428 VanDerWaalsContact O-CB 3.29Å; I424-A428 WeakPolarHBondContact O-CB 3.45Å; I424-A428 PolarHBondContact O-N 3.2Å; A425-A428 PolarHBondContact O-N 3.2Å; A428-G430 VanDerWaalsContact C-N 3.33Å; A428-G433 WeakPolarHBondContact O-CA 3.47Å; A428-P434 WeakPolarHBondContact O-CD 3.42Å; A428-L456 HydrophobicContact CB-CD2 4.29Å; A428-N459 HydrophobicContact CB-CB 4.09Å; A428-N459 VanDerWaalsContact O-CB 3.28Å; A428-N459 WeakPolarHBondContact O-CB 3.4Å
429	E	96.5	Very high	96.7	Very high	124 Å²	124	37.7 Å²	37.7	58%	0.579	19%	0.191	S	C	*	.	H	α-helix	trans	-81	-12.7	176.4	-67.3	174.6	-169.4	0	0	113.5	A425	A425-E429 WeakPolarHBondContact O-CB 3.39Å; A425-E429 WeakPolarHBondContact O-CG 3.47Å; A425-E429 PolarHBondContact O-N 3.4Å
430	G	96.5	Very high	96.7	Very high	14 Å²	14	37.7 Å²	37.7	14%	0.144	19%	0.191	C	C	.	.	S	Bend	trans	-71.4	-177.6	-177.7	0	0	0	0	0	115.1	R426 L427 A428 C432 G433 P434	R426-G430 PolarHBondContact O-N 3.43Å; L427-G430 PolarHBondContact O-N 3.31Å; A428-G430 VanDerWaalsContact C-N 3.33Å; G430-C432 VanDerWaalsContact C-N 3.27Å; G430-C432 PolarHBondContact O-N 3.3Å; G430-G433 PolarHBondContact O-N 3.09Å; G430-P434 WeakPolarHBondContact O-CD 3.42Å
431	L	96.3	Very high	96.6	Very high	103 Å²	103	35.9 Å²	35.9	54%	0.539	18%	0.181	S	C	.	.	S	Bend	trans	-62	-31.2	-177.2	-63.8	179.7	0	0	0	113.9	A402 V403 P406	A402-L431 WeakPolarHBondContact O-CG 3.37Å; A402-L431 PolarHBondContact O-N 3.31Å; V403-L431 WeakPolarHBondContact O-CD1 3.36Å; P406-L431 HydrophobicContact CB-CB 3.97Å; P406-L431 HydrophobicContact CB-CD1 4.17Å
432	C	96	Very high	96.5	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.173	C	C	.	.	S	Bend	trans	-89.3	-29	-179.1	53.9	0	0	0	0	113.9	C405 L408 G430 Q436 L437	C405-C432 WeakPolarHBondContact O-CB 3.31Å; L408-C432 HydrophobicContact CB-CB 3.95Å; L408-C432 WeakPolarHBondContact O-CB 3.36Å; G430-C432 VanDerWaalsContact C-N 3.27Å; G430-C432 PolarHBondContact O-N 3.3Å; C432-Q436 HydrophobicContact CB-CB 4.34Å; C432-Q436 WeakPolarHBondContact O-CA 3.42Å; C432-Q436 WeakPolarHBondContact O-CB 3.23Å; C432-Q436 PolarHBondContact O-N 2.92Å; C432-L437 PolarHBondContact O-N 3.21Å
433	G	94.5	Very high	96.4	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-58.9	-170.4	0	0	0	0	0	113.1	A428 G430 D435 C460	A428-G433 WeakPolarHBondContact O-CA 3.47Å; G430-G433 PolarHBondContact O-N 3.09Å; G433-D435 PolarHBondContact O-N 3.36Å; G433-C460 WeakPolarHBondContact O-CA 3.27Å
434	P	93.1	Very high	96.2	Very high	36 Å²	36	33.6 Å²	33.6	23%	0.234	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-37.4	-172	-26.4	36	0	0	0	115.4	A428 G430 N459 R461	A428-P434 WeakPolarHBondContact O-CD 3.42Å; G430-P434 WeakPolarHBondContact O-CD 3.42Å; P434-N459 VanDerWaalsContact CA-O 3.31Å; P434-N459 WeakPolarHBondContact CA-O 3.16Å; P434-R461 PolarHBondContact O-N 3.49Å
435	D	91.4	Very high	96	Very high	90 Å²	90	33.6 Å²	33.6	48%	0.481	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-124.9	-3.4	-164.3	-76.6	-46.4	0	0	0	115.4	G433 K462	G433-D435 PolarHBondContact O-N 3.36Å; D435-K462 WeakPolarHBondContact O-CD 3.42Å; D435-K462 WeakPolarHBondContact O-CE 3.48Å; D435-K462 PolarHBondContact O-NZ 3.28Å
436	Q	95.4	Very high	95.9	Very high	66 Å²	66	36.2 Å²	36.2	31%	0.308	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-131.3	-38.8	-175	-57.5	-64.2	-27.4	0	0	114.6	P406 L408 N409 C432 Q438	P406-Q436 VanDerWaalsContact O-CG 3.3Å; P406-Q436 WeakPolarHBondContact O-CG 3.49Å; L408-Q436 WeakPolarHBondContact O-CB 3.47Å; N409-Q436 WeakPolarHBondContact CA-O 2.92Å; N409-Q436 VanDerWaalsContact CB-O 3.24Å; N409-Q436 WeakPolarHBondContact CB-O 3.26Å; C432-Q436 HydrophobicContact CB-CB 4.34Å; C432-Q436 WeakPolarHBondContact O-CA 3.42Å; C432-Q436 WeakPolarHBondContact O-CB 3.23Å; C432-Q436 PolarHBondContact O-N 2.92Å; Q436-Q438 WeakPolarHBondContact O-CG 3.45Å; Q436-Q438 PolarHBondContact O-N 2.83Å
437	L	96.7	Very high	95.8	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.191	C	C	.	.			trans	-61.3	122.2	-174.7	-163.3	66.2	0	0	0	110.7	L427 C432 L440 K462 L463	L427-L437 HydrophobicContact CD2-CD2 4.23Å; C432-L437 PolarHBondContact O-N 3.21Å; L437-L440 HydrophobicContact CD2-CD2 4.34Å; L437-K462 CarbonylContact O-C 3.57Å; L437-L463 HydrophobicContact CD2-CD1 4.41Å; L437-L463 HydrophobicContact CG-CD1 4.19Å; L437-L463 WeakPolarHBondContact O-CA 3.34Å; L437-L463 PolarHBondContact O-N 3.05Å
438	Q	96.6	Very high	95.7	Very high	58 Å²	58	35.5 Å²	35.5	27%	0.271	19%	0.191	S	C	.	.			trans	-122.1	-41.7	-174.4	-78.2	171.2	46.2	0	0	112	N409 Q436 R464 Q465	N409-Q438 HydrophobicContact CB-CB 4.49Å; N409-Q438 WeakPolarHBondContact O-CA 3.38Å; N409-Q438 PolarHBondContact O-N 3.41Å; Q436-Q438 WeakPolarHBondContact O-CG 3.45Å; Q436-Q438 PolarHBondContact O-N 2.83Å; Q438-R464 WeakPolarHBondContact O-CA 3.31Å; Q438-R464 PolarHBondContact O-N 2.91Å; Q438-Q465 PolarHBondContact O-N 3.48Å
439	T	97.8	Very high	95.8	Very high	31 Å²	31	37.6 Å²	37.6	19%	0.19	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	123.3	-179.2	-60.9	0	0	0	0	109.1	N409 T410 L411 Q465	N409-T439 PolarHBondContact O-N 2.76Å; T410-T439 WeakPolarHBondContact CA-O 3.25Å; T410-T439 HydrophobicContact CG2-CG2 4.21Å; L411-T439 PolarHBondContact N-O 2.94Å; T439-Q465 WeakPolarHBondContact CA-O 3.35Å; T439-Q465 HydrophobicContact CG2-CB 4.17Å; T439-Q465 HydrophobicContact CG2-CG 4.28Å
440	L	97.9	Very high	95.8	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	118.2	175	179	60	0	0	0	108.5	L411 L413 L427 L437 M442 L456 L463 Q465 L466 D467	L411-L440 HydrophobicContact CB-CD1 4.04Å; L411-L440 HydrophobicContact CD2-CD1 4.13Å; L411-L440 HydrophobicContact CG-CD1 4.21Å; L411-L440 WeakPolarHBondContact O-CA 3.43Å; L413-L440 HydrophobicContact CD1-CD1 4.22Å; L427-L440 HydrophobicContact CD2-CD1 4.48Å; L437-L440 HydrophobicContact CD2-CD2 4.34Å; L440-M442 HydrophobicContact CD1-CG 3.92Å; L440-M442 HydrophobicContact CD1-SD 4.18Å; L440-M442 HydrophobicContact CD2-CE 3.97Å; L440-M442 HydrophobicContact CD2-CG 4.26Å; L440-M442 HydrophobicContact CD2-SD 3.62Å; L440-M442 HydrophobicContact CG-CE 4.31Å; L440-M442 HydrophobicContact CG-CG 3.78Å; L440-M442 HydrophobicContact CG-SD 3.83Å; L440-L456 HydrophobicContact CD2-CD1 3.83Å; L440-L456 HydrophobicContact CD2-CD2 3.72Å; L440-L456 HydrophobicContact CD2-CG 4.43Å; L440-L463 HydrophobicContact CB-CD1 4.23Å; L440-Q465 PolarHBondContact N-O 3.08Å; L440-Q465 VanDerWaalsContact N-O 3.09Å; L440-L466 HydrophobicContact CB-CD1 3.95Å; L440-L466 HydrophobicContact CD2-CD1 4.12Å; L440-L466 HydrophobicContact CG-CD1 4.09Å; L440-L466 WeakPolarHBondContact O-CA 3.45Å; L440-L466 WeakPolarHBondContact O-CD1 3.13Å; L440-D467 PolarHBondContact O-N 3.04Å
441	A	97.6	Very high	95.8	Very high	5 Å²	5	34.1 Å²	34.1	4%	0.041	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	124.9	174	0	0	0	0	0	109	L411 V412 L413 D467	L411-A441 PolarHBondContact O-N 2.82Å; V412-A441 HydrophobicContact CB-CB 4.41Å; V412-A441 HydrophobicContact CG1-CB 4.1Å; V412-A441 HydrophobicContact CG2-CB 4.24Å; L413-A441 PolarHBondContact N-O 2.81Å; A441-D467 HydrophobicContact CB-CB 3.97Å
442	M	96.5	Very high	95.8	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	17%	0.165	C	C	.	.			trans	-134.8	32.1	-177.1	-58.1	-177.6	-57.8	0	0	110.6	L413 I424 L440 C445 L448 L456 L466 D467 L468 C471	L413-M442 HydrophobicContact CB-CG 4.47Å; L413-M442 HydrophobicContact CD1-CG 4.45Å; I424-M442 HydrophobicContact CD1-SD 3.31Å; I424-M442 WeakPolarHBondContact CD1-SD 3.43Å; I424-M442 HydrophobicContact CG1-SD 3.89Å; L440-M442 HydrophobicContact CD1-CG 3.92Å; L440-M442 HydrophobicContact CD1-SD 4.18Å; L440-M442 HydrophobicContact CD2-CE 3.97Å; L440-M442 HydrophobicContact CD2-CG 4.26Å; L440-M442 HydrophobicContact CD2-SD 3.62Å; L440-M442 HydrophobicContact CG-CE 4.31Å; L440-M442 HydrophobicContact CG-CG 3.78Å; L440-M442 HydrophobicContact CG-SD 3.83Å; M442-C445 WeakPolarHBondContact O-CB 3.46Å; M442-C445 PolarHBondContact O-N 3.12Å; M442-C445 PolarHBondContact O-SG 3.4Å; M442-L448 HydrophobicContact CB-CD1 3.73Å; M442-L448 HydrophobicContact CE-CD1 3.95Å; M442-L448 HydrophobicContact CG-CD1 4.21Å; M442-L448 HydrophobicContact SD-CD1 3.66Å; M442-L456 HydrophobicContact CE-CD1 3.98Å; M442-L466 HydrophobicContact CE-CD1 3.86Å; M442-D467 PolarHBondContact N-O 3.43Å; M442-L468 HydrophobicContact CB-CD2 4.49Å; M442-L468 HydrophobicContact CE-CD2 3.69Å; M442-C471 PolarHBondContact O-SG 3.22Å
443	D	94.3	Very high	95.9	Very high	24 Å²	24	29.3 Å²	29.3	13%	0.128	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	147.5	-179.4	-46.7	-68.3	0	0	0	110.6	S414 H415 C445 D467 L468 Y469	S414-D443 CarbonylContact C-O 3.25Å; S414-D443 WeakPolarHBondContact CA-O 3.44Å; S414-D443 PolarHBondContact OG-N 3.12Å; S414-D443 PolarHBondContact OG-OD2 3.11Å; H415-D443 PolarHBondContact N-O 3.39Å; D443-C445 PolarHBondContact O-N 3.47Å; D443-C445 VanDerWaalsContact O-N 3.08Å; D443-D467 VanDerWaalsContact OD1-C 3.24Å; D443-D467 WeakPolarHBondContact OD1-CB 3.45Å; D443-L468 PolarHBondContact OD1-N 3.04Å; D443-Y469 CarbonylContact C-O 3.39Å; D443-Y469 VanDerWaalsContact CA-O 3.24Å; D443-Y469 WeakPolarHBondContact CA-O 3.03Å; D443-Y469 WeakPolarHBondContact CB-O 3.49Å; D443-Y469 WeakPolarHBondContact OD1-CB 3.36Å; D443-Y469 VanDerWaalsContact OD1-CD2 3.24Å; D443-Y469 WeakPolarHBondContact OD1-CD2 3.46Å; D443-Y469 PolarHBondContact OD1-N 3.25Å
444	N	94.1	Very high	95.9	Very high	50 Å²	50	36 Å²	36	27%	0.267	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.6	32.3	177.8	-67.4	-92.2	0	0	0	113.4	H415 P446 Y469 D470	H415-N444 WeakPolarHBondContact CE1-CB 3.44Å; H415-N444 PolarHBondContact CE1-ND2 3.22Å; H415-N444 VanDerWaalsContact ND1-CB 3.34Å; H415-N444 WeakPolarHBondContact ND1-CB 3.18Å; N444-P446 VanDerWaalsContact O-CD 3.26Å; N444-P446 WeakPolarHBondContact O-CD 3.47Å; N444-Y469 PolarHBondContact N-O 3.5Å; N444-D470 WeakPolarHBondContact OD1-CB 3.46Å
445	C	95.1	Very high	96	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.199	C	C	.	.			trans	-93.8	99.3	169.5	-66.5	0	0	0	0	109	L413 M442 D443 L447 L448	L413-C445 PolarHBondContact O-SG 3.39Å; M442-C445 WeakPolarHBondContact O-CB 3.46Å; M442-C445 PolarHBondContact O-N 3.12Å; M442-C445 PolarHBondContact O-SG 3.4Å; D443-C445 PolarHBondContact O-N 3.47Å; D443-C445 VanDerWaalsContact O-N 3.08Å; C445-L447 VanDerWaalsContact C-N 3.3Å; C445-L447 PolarHBondContact O-N 3.02Å; C445-L448 HydrophobicContact CB-CD1 3.53Å; C445-L448 HydrophobicContact CB-CG 3.77Å; C445-L448 PolarHBondContact O-N 3.41Å
446	P	94.4	Very high	96.2	Very high	59 Å²	59	32.9 Å²	32.9	38%	0.383	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-15.2	-165.8	30.9	-36.2	0	0	0	114.3	D417 N444 L473	D417-P446 HydrophobicContact CB-CG 4.46Å; N444-P446 VanDerWaalsContact O-CD 3.26Å; N444-P446 WeakPolarHBondContact O-CD 3.47Å; P446-L473 VanDerWaalsContact O-CD1 3.27Å; P446-L473 WeakPolarHBondContact O-CD1 3.37Å
447	L	96	Very high	96	Very high	85 Å²	85	30.2 Å²	30.2	45%	0.445	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.9	-7.2	-177.8	-58.5	179.7	0	0	0	113.5	D417 T420 C445	D417-L447 VanDerWaalsContact O-CD1 3.24Å; D417-L447 WeakPolarHBondContact O-CD1 3.14Å; T420-L447 HydrophobicContact CG2-CB 4.34Å; T420-L447 HydrophobicContact CG2-CD1 3.93Å; C445-L447 VanDerWaalsContact C-N 3.3Å; C445-L447 PolarHBondContact O-N 3.02Å
448	L	97	Very high	95.8	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.191	C	C	.	.			trans	-81	132.2	-178.9	-63.6	-176.1	0	0	0	111.5	V419 T420 D421 I424 M442 C445 A452 L473 I474	V419-L448 HydrophobicContact CG1-CD2 4.37Å; T420-L448 VanDerWaalsContact C-CD2 3.48Å; D421-L448 WeakPolarHBondContact OD1-CA 3.33Å; I424-L448 HydrophobicContact CG1-CD2 3.77Å; M442-L448 HydrophobicContact CB-CD1 3.73Å; M442-L448 HydrophobicContact CE-CD1 3.95Å; M442-L448 HydrophobicContact CG-CD1 4.21Å; M442-L448 HydrophobicContact SD-CD1 3.66Å; C445-L448 HydrophobicContact CB-CD1 3.53Å; C445-L448 HydrophobicContact CB-CG 3.77Å; C445-L448 PolarHBondContact O-N 3.41Å; L448-A452 HydrophobicContact CD2-CB 4.23Å; L448-L473 WeakPolarHBondContact O-CB 3.23Å; L448-I474 HydrophobicContact CB-CD1 4.3Å
449	T	97.5	Very high	95.6	Very high	45 Å²	45	33 Å²	33	28%	0.276	19%	0.188	S	C	.	.			trans	-117.5	-177.3	178.4	79.1	0	0	0	0	111.1	D421 A451 A452 L473	D421-T449 PolarHBondContact OD1-N 2.83Å; D421-T449 WeakPolarHBondContact OD2-CB 3.36Å; D421-T449 PolarHBondContact OD2-OG1 3.16Å; T449-A451 PolarHBondContact O-N 3.45Å; T449-A451 VanDerWaalsContact O-N 3.11Å; T449-A451 WeakPolarHBondContact OG1-CB 3.28Å; T449-A451 PolarHBondContact OG1-N 2.73Å; T449-A452 PolarHBondContact O-N 2.79Å; T449-L473 HydrophobicContact CG2-CB 4.08Å; T449-L473 HydrophobicContact CG2-CD1 4.16Å
450	D	96.8	Very high	95.4	Very high	33 Å²	33	31.5 Å²	31.5	18%	0.176	18%	0.179	C	C	.	.	H	α-helix	trans	-57.1	-23.3	173.5	-69.6	-13.2	0	0	0	112.8	A452 L453 E454 I474 T475 G478	D450-A452 VanDerWaalsContact C-N 3.35Å; D450-A452 PolarHBondContact O-N 3.14Å; D450-L453 WeakPolarHBondContact O-CB 3.46Å; D450-L453 PolarHBondContact O-N 3.11Å; D450-E454 PolarHBondContact O-N 2.84Å; D450-I474 WeakPolarHBondContact OD1-CA 3.46Å; D450-T475 PolarHBondContact OD1-N 3.41Å; D450-T475 WeakPolarHBondContact OD2-CB 3.38Å; D450-T475 WeakPolarHBondContact OD2-CG2 3.31Å; D450-T475 PolarHBondContact OD2-OG1 3.02Å; D450-G478 VanDerWaalsContact CG-CA 3.47Å; D450-G478 PolarHBondContact OD2-N 2.76Å
451	A	97.1	Very high	95.1	Very high	31 Å²	31	40.1 Å²	40.1	26%	0.256	21%	0.212	S	C	.	.	H	α-helix	trans	-61.3	-39.3	176.6	0	0	0	0	0	112.6	D421 T449 L453 E454 H455	D421-A451 HydrophobicContact CB-CB 4.24Å; T449-A451 PolarHBondContact O-N 3.45Å; T449-A451 VanDerWaalsContact O-N 3.11Å; T449-A451 WeakPolarHBondContact OG1-CB 3.28Å; T449-A451 PolarHBondContact OG1-N 2.73Å; A451-L453 PolarHBondContact O-N 2.96Å; A451-E454 WeakPolarHBondContact O-CB 3.41Å; A451-E454 PolarHBondContact O-N 3.35Å; A451-E454 VanDerWaalsContact O-N 3.16Å; A451-H455 PolarHBondContact O-CD2 2.92Å; A451-H455 PolarHBondContact O-N 3.03Å
452	A	97.3	Very high	94.9	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-57.7	-40	172.9	0	0	0	0	0	111.9	D421 I424 L448 T449 D450 H455 L456	D421-A452 HydrophobicContact CB-CB 4.38Å; D421-A452 WeakPolarHBondContact OD1-CB 3.36Å; D421-A452 PolarHBondContact OD1-N 3.3Å; I424-A452 HydrophobicContact CB-CB 4.12Å; I424-A452 HydrophobicContact CG1-CB 4.22Å; I424-A452 HydrophobicContact CG2-CB 4.04Å; L448-A452 HydrophobicContact CD2-CB 4.23Å; T449-A452 PolarHBondContact O-N 2.79Å; D450-A452 VanDerWaalsContact C-N 3.35Å; D450-A452 PolarHBondContact O-N 3.14Å; A452-H455 PolarHBondContact O-N 3.3Å; A452-L456 WeakPolarHBondContact O-CG 3.48Å; A452-L456 PolarHBondContact O-N 2.84Å
453	L	96.3	Very high	94.7	Very high	3 Å²	3	44.9 Å²	44.9	2%	0.016	23%	0.232	C	C	.	.	H	α-helix	trans	-67.8	-36.9	177.8	-57.6	-172.1	0	0	0	112	D450 A451 L456 G457 L466 L468 I474 I479 L482	D450-L453 WeakPolarHBondContact O-CB 3.46Å; D450-L453 PolarHBondContact O-N 3.11Å; A451-L453 PolarHBondContact O-N 2.96Å; L453-L456 HydrophobicContact CD2-CD1 4.47Å; L453-L456 PolarHBondContact O-N 3.36Å; L453-G457 PolarHBondContact O-N 3.23Å; L453-L466 HydrophobicContact CD2-CD2 3.72Å; L453-L468 HydrophobicContact CD1-CD1 4.38Å; L453-L468 HydrophobicContact CD2-CD1 3.88Å; L453-L468 HydrophobicContact CD2-CD2 4.34Å; L453-I474 HydrophobicContact CD1-CG2 3.6Å; L453-I474 HydrophobicContact CD2-CD1 4.31Å; L453-I474 HydrophobicContact CG-CD1 4.41Å; L453-I474 HydrophobicContact CG-CG2 4.43Å; L453-I479 HydrophobicContact CD1-CG1 3.83Å; L453-L482 HydrophobicContact CB-CD2 4.27Å; L453-L482 HydrophobicContact CD2-CD2 4.11Å
454	E	95.2	Very high	94.7	Very high	141 Å²	141	51.5 Å²	51.5	66%	0.659	26%	0.255	S	S	*	.	H	α-helix	trans	-62.8	-42.4	174.2	-67.5	179.5	-174.8	0	0	111.7	D450 A451 G457 S458	D450-E454 PolarHBondContact O-N 2.84Å; A451-E454 WeakPolarHBondContact O-CB 3.41Å; A451-E454 PolarHBondContact O-N 3.35Å; A451-E454 VanDerWaalsContact O-N 3.16Å; E454-G457 PolarHBondContact O-N 3.05Å; E454-S458 WeakPolarHBondContact O-CB 3.29Å; E454-S458 PolarHBondContact O-N 3.04Å; E454-S458 PolarHBondContact O-OG 2.69Å
455	H	95.7	Very high	94.8	Very high	59 Å²	59	52 Å²	52	27%	0.273	26%	0.256	S	S	.	.	H	α-helix	trans	-64.8	-43.4	175.9	-73.1	-66.7	0	0	0	112.8	A425 A451 A452 S458 N459	A425-H455 HydrophobicContact CB-CB 4.18Å; A451-H455 PolarHBondContact O-CD2 2.92Å; A451-H455 PolarHBondContact O-N 3.03Å; A452-H455 PolarHBondContact O-N 3.3Å; H455-S458 WeakPolarHBondContact CA-OG 3.49Å; H455-S458 PolarHBondContact O-OG 2.94Å; H455-N459 PolarHBondContact O-N 3.27Å; H455-N459 PolarHBondContact O-ND2 3.07Å
456	L	95.4	Very high	94.9	Very high	1 Å²	1	52 Å²	52	1%	0.005	26%	0.256	C	S	.	.	H	α-helix	trans	-63.3	-44	174.4	-70	171.7	0	0	0	111.1	I424 A428 L440 M442 A452 L453 S458 N459 C460 L466	I424-L456 HydrophobicContact CG2-CD1 4.05Å; I424-L456 HydrophobicContact CG2-CD2 3.86Å; I424-L456 HydrophobicContact CG2-CG 3.7Å; A428-L456 HydrophobicContact CB-CD2 4.29Å; L440-L456 HydrophobicContact CD2-CD1 3.83Å; L440-L456 HydrophobicContact CD2-CD2 3.72Å; L440-L456 HydrophobicContact CD2-CG 4.43Å; M442-L456 HydrophobicContact CE-CD1 3.98Å; A452-L456 WeakPolarHBondContact O-CG 3.48Å; A452-L456 PolarHBondContact O-N 2.84Å; L453-L456 HydrophobicContact CD2-CD1 4.47Å; L453-L456 PolarHBondContact O-N 3.36Å; L456-S458 VanDerWaalsContact C-N 3.35Å; L456-S458 PolarHBondContact O-N 3Å; L456-N459 PolarHBondContact O-N 3.2Å; L456-C460 WeakPolarHBondContact O-CB 3.45Å; L456-C460 PolarHBondContact O-N 2.91Å; L456-L466 HydrophobicContact CD1-CD1 4.02Å; L456-L466 HydrophobicContact CD1-CD2 4.27Å
457	G	91.9	Very high	94.9	Very high	10 Å²	10	50.2 Å²	50.2	10%	0.103	24%	0.243	C	C	.	.	H	α-helix	trans	-66.5	-34.4	-178.7	0	0	0	0	0	113.6	L453 E454 Y486	L453-G457 PolarHBondContact O-N 3.23Å; E454-G457 PolarHBondContact O-N 3.05Å; G457-Y486 WeakPolarHBondContact O-CE2 3.39Å; G457-Y486 PolarHBondContact O-OH 3.3Å
458	S	91.6	Very high	94.9	Very high	74 Å²	74	46.4 Å²	46.4	52%	0.517	22%	0.224	S	C	.	.	H	α-helix	trans	-75.9	-29.3	179.3	48.1	0	0	0	0	113.5	E454 H455 L456	E454-S458 WeakPolarHBondContact O-CB 3.29Å; E454-S458 PolarHBondContact O-N 3.04Å; E454-S458 PolarHBondContact O-OG 2.69Å; H455-S458 WeakPolarHBondContact CA-OG 3.49Å; H455-S458 PolarHBondContact O-OG 2.94Å; L456-S458 VanDerWaalsContact C-N 3.35Å; L456-S458 PolarHBondContact O-N 3Å
459	N	92.7	Very high	94.6	Very high	41 Å²	41	51.2 Å²	51.2	22%	0.219	24%	0.242	C	C	.	.	H	α-helix	trans	-113.8	-44.1	-171.5	-64	-75	0	0	0	114.6	A428 P434 H455 L456 R461	A428-N459 HydrophobicContact CB-CB 4.09Å; A428-N459 VanDerWaalsContact O-CB 3.28Å; A428-N459 WeakPolarHBondContact O-CB 3.4Å; P434-N459 VanDerWaalsContact CA-O 3.31Å; P434-N459 WeakPolarHBondContact CA-O 3.16Å; H455-N459 PolarHBondContact O-N 3.27Å; H455-N459 PolarHBondContact O-ND2 3.07Å; L456-N459 PolarHBondContact O-N 3.2Å; N459-R461 PolarHBondContact O-N 3.33Å; N459-R461 VanDerWaalsContact O-N 3.1Å
460	C	93.5	Very high	94.2	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	25%	0.251	C	S	.	.			trans	-86.1	80.9	-165.3	-62.2	0	0	0	0	113.8	G433 L456 K462 L463	G433-C460 WeakPolarHBondContact O-CA 3.27Å; L456-C460 WeakPolarHBondContact O-CB 3.45Å; L456-C460 PolarHBondContact O-N 2.91Å; C460-K462 VanDerWaalsContact C-N 3.3Å; C460-K462 PolarHBondContact O-N 3.31Å; C460-L463 HydrophobicContact CB-CB 4.29Å; C460-L463 PolarHBondContact O-N 3.26Å
461	R	90.6	Very high	93.9	Very high	182 Å²	182	51.9 Å²	51.9	69%	0.687	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-17.3	-170.7	-61.3	175.2	-172.4	166.5	3.2	115.7	P434 N459	P434-R461 PolarHBondContact O-N 3.49Å; N459-R461 PolarHBondContact O-N 3.33Å; N459-R461 VanDerWaalsContact O-N 3.1Å
462	K	93.2	Very high	93.5	Very high	94 Å²	94	58.7 Å²	58.7	41%	0.409	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.4	6.5	-179	-66.6	-159.5	-167.3	157.7	0	113.8	D435 L437 C460 R464	D435-K462 WeakPolarHBondContact O-CD 3.42Å; D435-K462 WeakPolarHBondContact O-CE 3.48Å; D435-K462 PolarHBondContact O-NZ 3.28Å; L437-K462 CarbonylContact O-C 3.57Å; C460-K462 VanDerWaalsContact C-N 3.3Å; C460-K462 PolarHBondContact O-N 3.31Å; K462-R464 WeakPolarHBondContact O-CG 3.47Å; K462-R464 PolarHBondContact O-N 2.89Å
463	L	94.1	Very high	93.3	Very high	11 Å²	11	63.2 Å²	63.2	6%	0.058	30%	0.295	C	S	.	.			trans	-60.7	130.1	179	-159.7	70	0	0	0	109.8	L437 L440 C460 L466 L489	L437-L463 HydrophobicContact CD2-CD1 4.41Å; L437-L463 HydrophobicContact CG-CD1 4.19Å; L437-L463 WeakPolarHBondContact O-CA 3.34Å; L437-L463 PolarHBondContact O-N 3.05Å; L440-L463 HydrophobicContact CB-CD1 4.23Å; C460-L463 HydrophobicContact CB-CB 4.29Å; C460-L463 PolarHBondContact O-N 3.26Å; L463-L466 HydrophobicContact CD2-CB 4.4Å; L463-L466 HydrophobicContact CD2-CD1 4.44Å; L463-L466 HydrophobicContact CD2-CD2 4.49Å; L463-L489 HydrophobicContact CB-CD1 4.05Å; L463-L489 HydrophobicContact CD2-CD1 3.86Å; L463-L489 HydrophobicContact CD2-CD2 4.18Å; L463-L489 HydrophobicContact CG-CD1 3.68Å
464	R	94.2	Very high	93.2	Very high	163 Å²	163	63.4 Å²	63.4	62%	0.615	30%	0.296	S	S	*	.			trans	-119.5	-32.1	-177.1	-62.7	-173.1	-179.9	-158.4	-1.2	112.5	Q438 K462 Q490	Q438-R464 WeakPolarHBondContact O-CA 3.31Å; Q438-R464 PolarHBondContact O-N 2.91Å; K462-R464 WeakPolarHBondContact O-CG 3.47Å; K462-R464 PolarHBondContact O-N 2.89Å; R464-Q490 WeakPolarHBondContact O-CB 3.38Å; R464-Q490 PolarHBondContact O-N 3.14Å
465	Q	96	Very high	93.2	Very high	59 Å²	59	59.5 Å²	59.5	28%	0.276	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	133.4	-179.6	-178.6	177.7	-25.1	0	0	110.3	Q438 T439 L440 D467 Q490	Q438-Q465 PolarHBondContact O-N 3.48Å; T439-Q465 WeakPolarHBondContact CA-O 3.35Å; T439-Q465 HydrophobicContact CG2-CB 4.17Å; T439-Q465 HydrophobicContact CG2-CG 4.28Å; L440-Q465 PolarHBondContact N-O 3.08Å; L440-Q465 VanDerWaalsContact N-O 3.09Å; Q465-D467 WeakPolarHBondContact CG-OD1 3.45Å; Q465-D467 PolarHBondContact NE2-OD1 3.34Å; Q465-D467 VanDerWaalsContact NE2-OD1 3.11Å; Q465-D467 PolarHBondContact NE2-OD2 2.94Å; Q465-Q490 CarbonylContact C-O 3.6Å; Q465-Q490 VanDerWaalsContact CA-O 3.31Å; Q465-Q490 WeakPolarHBondContact CA-O 3.46Å
466	L	96.5	Very high	93	Very high	0 Å²	0	63.2 Å²	63.2	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	116.2	175.6	-172.8	63.7	0	0	0	109.5	L440 M442 L453 L456 L463 L468 L482 L489 Q490 I491 H492	L440-L466 HydrophobicContact CB-CD1 3.95Å; L440-L466 HydrophobicContact CD2-CD1 4.12Å; L440-L466 HydrophobicContact CG-CD1 4.09Å; L440-L466 WeakPolarHBondContact O-CA 3.45Å; L440-L466 WeakPolarHBondContact O-CD1 3.13Å; M442-L466 HydrophobicContact CE-CD1 3.86Å; L453-L466 HydrophobicContact CD2-CD2 3.72Å; L456-L466 HydrophobicContact CD1-CD1 4.02Å; L456-L466 HydrophobicContact CD1-CD2 4.27Å; L463-L466 HydrophobicContact CD2-CB 4.4Å; L463-L466 HydrophobicContact CD2-CD1 4.44Å; L463-L466 HydrophobicContact CD2-CD2 4.49Å; L466-L468 HydrophobicContact CD1-CD2 4.18Å; L466-L468 HydrophobicContact CD2-CD1 3.89Å; L466-L468 HydrophobicContact CD2-CD2 4.27Å; L466-L468 HydrophobicContact CD2-CG 4.25Å; L466-L468 HydrophobicContact CG-CD1 4.08Å; L466-L468 HydrophobicContact CG-CD2 3.94Å; L466-L468 HydrophobicContact CG-CG 3.91Å; L466-L482 HydrophobicContact CD2-CD2 3.63Å; L466-L489 HydrophobicContact CB-CD1 4.34Å; L466-Q490 PolarHBondContact N-O 3.26Å; L466-I491 HydrophobicContact CB-CG1 4.46Å; L466-I491 WeakPolarHBondContact O-CA 3.45Å; L466-H492 PolarHBondContact O-N 2.84Å
467	D	95.7	Very high	92.8	Very high	22 Å²	22	70.1 Å²	70.1	12%	0.118	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	123.2	-179.8	-52.7	-31.5	0	0	0	109.5	L440 A441 M442 D443 Q465 H492	L440-D467 PolarHBondContact O-N 3.04Å; A441-D467 HydrophobicContact CB-CB 3.97Å; M442-D467 PolarHBondContact N-O 3.43Å; D443-D467 VanDerWaalsContact OD1-C 3.24Å; D443-D467 WeakPolarHBondContact OD1-CB 3.45Å; Q465-D467 WeakPolarHBondContact CG-OD1 3.45Å; Q465-D467 PolarHBondContact NE2-OD1 3.34Å; Q465-D467 VanDerWaalsContact NE2-OD1 3.11Å; Q465-D467 PolarHBondContact NE2-OD2 2.94Å; D467-H492 WeakPolarHBondContact OD1-CB 3.42Å; D467-H492 IonicContact OD1-CE1 3.08Å; D467-H492 IonicContact OD1-CG 3.84Å; D467-H492 IonicContact OD1-ND1 2.71Å; D467-H492 PolarHBondContact OD1-ND1 3.46Å
468	L	94.9	Very high	92.9	Very high	6 Å²	6	70 Å²	70	3%	0.031	33%	0.328	C	S	.	.			trans	-135.3	27.8	-169.1	-56.8	173.2	0	0	0	112	M442 D443 L453 L466 D470 C471 I474 I479 I491 H492 A493	M442-L468 HydrophobicContact CB-CD2 4.49Å; M442-L468 HydrophobicContact CE-CD2 3.69Å; D443-L468 PolarHBondContact OD1-N 3.04Å; L453-L468 HydrophobicContact CD1-CD1 4.38Å; L453-L468 HydrophobicContact CD2-CD1 3.88Å; L453-L468 HydrophobicContact CD2-CD2 4.34Å; L466-L468 HydrophobicContact CD1-CD2 4.18Å; L466-L468 HydrophobicContact CD2-CD1 3.89Å; L466-L468 HydrophobicContact CD2-CD2 4.27Å; L466-L468 HydrophobicContact CD2-CG 4.25Å; L466-L468 HydrophobicContact CG-CD1 4.08Å; L466-L468 HydrophobicContact CG-CD2 3.94Å; L466-L468 HydrophobicContact CG-CG 3.91Å; L468-D470 PolarHBondContact O-N 3.07Å; L468-C471 PolarHBondContact O-N 3.02Å; L468-I474 HydrophobicContact CD1-CD1 4.27Å; L468-I474 HydrophobicContact CD1-CG2 4.41Å; L468-I474 HydrophobicContact CD2-CD1 3.8Å; L468-I474 HydrophobicContact CG-CD1 4.46Å; L468-I479 HydrophobicContact CD1-CD1 4.18Å; L468-I479 HydrophobicContact CD1-CG1 4.17Å; L468-I491 HydrophobicContact CD1-CG2 3.92Å; L468-H492 PolarHBondContact N-O 3.11Å; L468-A493 HydrophobicContact CB-CB 4.26Å
469	Y	91.6	Very high	92.9	Very high	100 Å²	100	67 Å²	67	39%	0.392	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	133.7	179.1	-68.2	-75.7	0	0	0	110.4	D443 N444 C471 H492	D443-Y469 CarbonylContact C-O 3.39Å; D443-Y469 VanDerWaalsContact CA-O 3.24Å; D443-Y469 WeakPolarHBondContact CA-O 3.03Å; D443-Y469 WeakPolarHBondContact CB-O 3.49Å; D443-Y469 WeakPolarHBondContact OD1-CB 3.36Å; D443-Y469 VanDerWaalsContact OD1-CD2 3.24Å; D443-Y469 WeakPolarHBondContact OD1-CD2 3.46Å; D443-Y469 PolarHBondContact OD1-N 3.25Å; N444-Y469 PolarHBondContact N-O 3.5Å; Y469-C471 PolarHBondContact O-N 3.15Å; Y469-C471 VanDerWaalsContact O-N 3.14Å; Y469-H492 HydrophobicContact CE2-CB 3.6Å
470	D	88.9	Confident	92.9	Very high	85 Å²	85	68.5 Å²	68.5	46%	0.455	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.3	22.4	178.9	-65.5	-38.8	0	0	0	116.2	N444 L468 Q472	N444-D470 WeakPolarHBondContact OD1-CB 3.46Å; L468-D470 PolarHBondContact O-N 3.07Å; D470-Q472 PolarHBondContact O-N 3.25Å; D470-Q472 VanDerWaalsContact O-N 3.12Å
471	C	90.3	Very high	92.8	Very high	8 Å²	8	71 Å²	71	5%	0.054	33%	0.331	C	S	.	.			trans	-77.1	87.6	163.9	-69.4	0	0	0	0	110.9	M442 L468 Y469 L473 I474	M442-C471 PolarHBondContact O-SG 3.22Å; L468-C471 PolarHBondContact O-N 3.02Å; Y469-C471 PolarHBondContact O-N 3.15Å; Y469-C471 VanDerWaalsContact O-N 3.14Å; C471-L473 VanDerWaalsContact C-N 3.28Å; C471-L473 PolarHBondContact O-N 3.09Å; C471-I474 HydrophobicContact CB-CB 4.13Å; C471-I474 HydrophobicContact CB-CD1 3.72Å; C471-I474 HydrophobicContact CB-CG1 3.99Å; C471-I474 PolarHBondContact O-N 2.84Å
472	Q	88.4	Confident	92.8	Very high	173 Å²	173	62.6 Å²	62.6	81%	0.808	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-22.1	-167.6	-61.5	-178	6.8	0	0	115.5	D470	D470-Q472 PolarHBondContact O-N 3.25Å; D470-Q472 VanDerWaalsContact O-N 3.12Å
473	L	93.5	Very high	92.6	Very high	96 Å²	96	62 Å²	62	50%	0.503	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	-5.9	179.7	-58.4	179.5	0	0	0	113.3	P446 L448 T449 C471	P446-L473 VanDerWaalsContact O-CD1 3.27Å; P446-L473 WeakPolarHBondContact O-CD1 3.37Å; L448-L473 WeakPolarHBondContact O-CB 3.23Å; T449-L473 HydrophobicContact CG2-CB 4.08Å; T449-L473 HydrophobicContact CG2-CD1 4.16Å; C471-L473 VanDerWaalsContact C-N 3.28Å; C471-L473 PolarHBondContact O-N 3.09Å
474	I	94.3	Very high	92.2	Very high	6 Å²	6	68.3 Å²	68.3	3%	0.031	33%	0.332	C	S	.	.			trans	-83.5	123.8	170.6	-66.7	-179.8	0	0	0	108.6	L448 D450 L453 L468 C471 I479	L448-I474 HydrophobicContact CB-CD1 4.3Å; D450-I474 WeakPolarHBondContact OD1-CA 3.46Å; L453-I474 HydrophobicContact CD1-CG2 3.6Å; L453-I474 HydrophobicContact CD2-CD1 4.31Å; L453-I474 HydrophobicContact CG-CD1 4.41Å; L453-I474 HydrophobicContact CG-CG2 4.43Å; L468-I474 HydrophobicContact CD1-CD1 4.27Å; L468-I474 HydrophobicContact CD1-CG2 4.41Å; L468-I474 HydrophobicContact CD2-CD1 3.8Å; L468-I474 HydrophobicContact CG-CD1 4.46Å; C471-I474 HydrophobicContact CB-CB 4.13Å; C471-I474 HydrophobicContact CB-CD1 3.72Å; C471-I474 HydrophobicContact CB-CG1 3.99Å; C471-I474 PolarHBondContact O-N 2.84Å; I474-I479 HydrophobicContact CG2-CD1 4.04Å; I474-I479 HydrophobicContact CG2-CG1 3.87Å
475	T	93.9	Very high	91.6	Very high	59 Å²	59	66.9 Å²	66.9	36%	0.362	33%	0.332	S	S	.	.			trans	-92.9	158.7	-177.8	83	0	0	0	0	111.3	D450 Q477 G478 I479	D450-T475 PolarHBondContact OD1-N 3.41Å; D450-T475 WeakPolarHBondContact OD2-CB 3.38Å; D450-T475 WeakPolarHBondContact OD2-CG2 3.31Å; D450-T475 PolarHBondContact OD2-OG1 3.02Å; T475-Q477 PolarHBondContact O-N 3.31Å; T475-Q477 WeakPolarHBondContact OG1-CB 3.45Å; T475-Q477 PolarHBondContact OG1-N 3.33Å; T475-Q477 VanDerWaalsContact OG1-N 3.13Å; T475-G478 PolarHBondContact O-N 3.49Å; T475-G478 PolarHBondContact OG1-N 3.18Å; T475-G478 VanDerWaalsContact OG1-N 3.07Å; T475-I479 PolarHBondContact O-N 3.18Å
476	K	91.5	Very high	91.1	Very high	137 Å²	137	66.3 Å²	66.3	60%	0.596	33%	0.327	S	S	*	.	H	α-helix	trans	-58.7	-28.5	169.2	-171	175.1	-178.2	178.5	0	111.9	N480 F495	K476-N480 WeakPolarHBondContact O-CB 3.31Å; K476-N480 PolarHBondContact O-N 3.01Å; K476-N480 PolarHBondContact O-ND2 2.77Å; K476-N480 PolarHBondContact O-OD1 3.33Å; K476-F495 HydrophobicContact CB-CE1 4.38Å; K476-F495 HydrophobicContact CB-CZ 4.28Å
477	Q	91.8	Very high	90.2	Very high	147 Å²	147	72 Å²	72	69%	0.687	37%	0.365	S	S	*	.	H	α-helix	trans	-72.3	-41	178.4	-178.1	171.4	-8.4	0	0	111.9	T475 N480 S481	T475-Q477 PolarHBondContact O-N 3.31Å; T475-Q477 WeakPolarHBondContact OG1-CB 3.45Å; T475-Q477 PolarHBondContact OG1-N 3.33Å; T475-Q477 VanDerWaalsContact OG1-N 3.13Å; Q477-N480 PolarHBondContact O-N 2.97Å; Q477-S481 WeakPolarHBondContact O-CB 3.45Å; Q477-S481 PolarHBondContact O-N 3.11Å; Q477-S481 PolarHBondContact O-OG 3.1Å
478	G	93.2	Very high	89.7	Confident	7 Å²	7	79.8 Å²	79.8	7%	0.072	40%	0.4	C	S	.	.	H	α-helix	trans	-58.6	-47.1	172.9	0	0	0	0	0	111.9	D450 T475 S481 L482	D450-G478 VanDerWaalsContact CG-CA 3.47Å; D450-G478 PolarHBondContact OD2-N 2.76Å; T475-G478 PolarHBondContact O-N 3.49Å; T475-G478 PolarHBondContact OG1-N 3.18Å; T475-G478 VanDerWaalsContact OG1-N 3.07Å; G478-S481 WeakPolarHBondContact O-CB 3.21Å; G478-S481 PolarHBondContact O-N 2.58Å; G478-L482 PolarHBondContact O-N 3.29Å
479	I	92.8	Very high	89.5	Confident	11 Å²	11	80.1 Å²	80.1	6%	0.056	40%	0.402	C	S	.	.	H	α-helix	trans	-60.6	-50.2	176.4	-68.5	175	0	0	0	111.7	L453 L468 I474 T475 S481 L482 E483 I491 A493 F495	L453-I479 HydrophobicContact CD1-CG1 3.83Å; L468-I479 HydrophobicContact CD1-CD1 4.18Å; L468-I479 HydrophobicContact CD1-CG1 4.17Å; I474-I479 HydrophobicContact CG2-CD1 4.04Å; I474-I479 HydrophobicContact CG2-CG1 3.87Å; T475-I479 PolarHBondContact O-N 3.18Å; I479-S481 PolarHBondContact O-N 3.45Å; I479-L482 WeakPolarHBondContact O-CB 3.43Å; I479-L482 PolarHBondContact O-N 3.2Å; I479-E483 HydrophobicContact CG2-CG 4.36Å; I479-E483 WeakPolarHBondContact O-CG 3.16Å; I479-E483 PolarHBondContact O-N 3.49Å; I479-I491 HydrophobicContact CD1-CG2 4.41Å; I479-I491 HydrophobicContact CG2-CD1 3.88Å; I479-I491 HydrophobicContact CG2-CG2 4.06Å; I479-A493 HydrophobicContact CD1-CB 3.77Å; I479-F495 HydrophobicContact CD1-CE2 3.47Å; I479-F495 VanDerWaalsContact CD1-CE2 3.47Å; I479-F495 HydrophobicContact CD1-CZ 3.49Å; I479-F495 VanDerWaalsContact CD1-CZ 3.49Å
480	N	91.3	Very high	89.5	Confident	72 Å²	72	80.8 Å²	80.8	39%	0.385	41%	0.409	S	S	.	.	H	α-helix	trans	-58	-36.4	177.8	-68.9	-15.2	0	0	0	111.7	K476 Q477 L482 E483 L484	K476-N480 WeakPolarHBondContact O-CB 3.31Å; K476-N480 PolarHBondContact O-N 3.01Å; K476-N480 PolarHBondContact O-ND2 2.77Å; K476-N480 PolarHBondContact O-OD1 3.33Å; Q477-N480 PolarHBondContact O-N 2.97Å; N480-L482 VanDerWaalsContact C-N 3.34Å; N480-E483 PolarHBondContact O-N 3.01Å; N480-L484 VanDerWaalsContact O-CG 3.31Å; N480-L484 WeakPolarHBondContact O-CG 3.43Å; N480-L484 PolarHBondContact O-N 3.14Å; N480-L484 VanDerWaalsContact O-N 3.14Å
481	S	91.1	Very high	89.7	Confident	52 Å²	52	78 Å²	78	36%	0.364	39%	0.394	S	S	.	.	H	α-helix	trans	-66.4	-38.1	177.8	-56.6	0	0	0	0	111.3	Q477 G478 I479 H485	Q477-S481 WeakPolarHBondContact O-CB 3.45Å; Q477-S481 PolarHBondContact O-N 3.11Å; Q477-S481 PolarHBondContact O-OG 3.1Å; G478-S481 WeakPolarHBondContact O-CB 3.21Å; G478-S481 PolarHBondContact O-N 2.58Å; I479-S481 PolarHBondContact O-N 3.45Å; S481-H485 PolarHBondContact O-ND1 3.34Å
482	L	91.4	Very high	89.7	Confident	6 Å²	6	80.6 Å²	80.6	3%	0.031	41%	0.405	C	S	.	.	H	α-helix	trans	-69.5	-43.5	174.8	-176.1	61.3	0	0	0	112.4	L453 L466 G478 I479 N480 L484 H485 Y486 L489 I491	L453-L482 HydrophobicContact CB-CD2 4.27Å; L453-L482 HydrophobicContact CD2-CD2 4.11Å; L466-L482 HydrophobicContact CD2-CD2 3.63Å; G478-L482 PolarHBondContact O-N 3.29Å; I479-L482 WeakPolarHBondContact O-CB 3.43Å; I479-L482 PolarHBondContact O-N 3.2Å; N480-L482 VanDerWaalsContact C-N 3.34Å; L482-L484 VanDerWaalsContact C-N 3.27Å; L482-L484 PolarHBondContact O-N 3.22Å; L482-H485 PolarHBondContact O-N 3.03Å; L482-Y486 HydrophobicContact CD1-CD2 4Å; L482-Y486 HydrophobicContact CD1-CE2 4.32Å; L482-Y486 PolarHBondContact O-N 2.9Å; L482-Y486 VanDerWaalsContact O-N 3.09Å; L482-L489 HydrophobicContact CD1-CD2 4.45Å; L482-L489 HydrophobicContact CD2-CD2 3.73Å; L482-L489 HydrophobicContact CG-CD2 3.83Å; L482-I491 HydrophobicContact CB-CD1 4.48Å; L482-I491 HydrophobicContact CD2-CD1 4Å; L482-I491 HydrophobicContact CG-CD1 4.32Å
483	E	89.8	Confident	89.7	Confident	83 Å²	83	74 Å²	74	39%	0.388	38%	0.379	S	S	.	.	H	α-helix	trans	-60.3	-35.3	177.7	-70.3	-177.1	156.7	0	0	112.6	I479 N480 H485 Y486 I491	I479-E483 HydrophobicContact CG2-CG 4.36Å; I479-E483 WeakPolarHBondContact O-CG 3.16Å; I479-E483 PolarHBondContact O-N 3.49Å; N480-E483 PolarHBondContact O-N 3.01Å; E483-H485 PolarHBondContact O-N 2.53Å; E483-Y486 CarbonylContact O-C 3.5Å; E483-Y486 VanDerWaalsContact O-C 3.26Å; E483-Y486 PolarHBondContact O-N 2.77Å; E483-I491 HydrophobicContact CG-CD1 3.64Å
484	L	85.5	Confident	89.1	Confident	142 Å²	142	76.1 Å²	76.1	74%	0.743	38%	0.382	S	S	*	.	H	α-helix	trans	-60.6	-31.5	174.7	-77.7	166.2	0	0	0	112.5	N480 L482	N480-L484 VanDerWaalsContact O-CG 3.31Å; N480-L484 WeakPolarHBondContact O-CG 3.43Å; N480-L484 PolarHBondContact O-N 3.14Å; N480-L484 VanDerWaalsContact O-N 3.14Å; L482-L484 VanDerWaalsContact C-N 3.27Å; L482-L484 PolarHBondContact O-N 3.22Å
485	H	81.9	Confident	88.2	Confident	134 Å²	134	80.2 Å²	80.2	62%	0.62	40%	0.4	S	S	*	.	H	α-helix	trans	-84.4	-29.6	176.9	-66.3	87.6	0	0	0	112.3	S481 L482 E483	S481-H485 PolarHBondContact O-ND1 3.34Å; L482-H485 PolarHBondContact O-N 3.03Å; E483-H485 PolarHBondContact O-N 2.53Å
486	Y	83.8	Confident	86.7	Confident	46 Å²	46	80.7 Å²	80.7	18%	0.18	41%	0.409	C	S	.	.			trans	-133.7	82.6	-176.7	-61.1	-84.5	0	0	0	113.2	G457 L482 E483 Q488 L489	G457-Y486 WeakPolarHBondContact O-CE2 3.39Å; G457-Y486 PolarHBondContact O-OH 3.3Å; L482-Y486 HydrophobicContact CD1-CD2 4Å; L482-Y486 HydrophobicContact CD1-CE2 4.32Å; L482-Y486 PolarHBondContact O-N 2.9Å; L482-Y486 VanDerWaalsContact O-N 3.09Å; E483-Y486 CarbonylContact O-C 3.5Å; E483-Y486 VanDerWaalsContact O-C 3.26Å; E483-Y486 PolarHBondContact O-N 2.77Å; Y486-Q488 PolarHBondContact O-N 3.25Å; Y486-L489 WeakPolarHBondContact O-CB 3.44Å; Y486-L489 PolarHBondContact O-N 3.19Å
487	P	79	Confident	85.2	Confident	121 Å²	121	79.1 Å²	79.1	79%	0.786	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-14.9	-177.5	-23	33.3	0	0	0	115.2
488	Q	83.6	Confident	83.4	Confident	185 Å²	185	75.4 Å²	75.4	86%	0.864	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.5	-5.6	178.2	-63.5	-172.7	-0.6	0	0	113.3	Y486 Q490	Y486-Q488 PolarHBondContact O-N 3.25Å; Q488-Q490 PolarHBondContact O-N 3.16Å
489	L	91.1	Very high	81.4	Confident	12 Å²	12	81.4 Å²	81.4	6%	0.063	45%	0.45	C	S	.	.			trans	-71.7	124.7	179.2	178.4	62.4	0	0	0	109.6	L463 L466 L482 Y486 I491	L463-L489 HydrophobicContact CB-CD1 4.05Å; L463-L489 HydrophobicContact CD2-CD1 3.86Å; L463-L489 HydrophobicContact CD2-CD2 4.18Å; L463-L489 HydrophobicContact CG-CD1 3.68Å; L466-L489 HydrophobicContact CB-CD1 4.34Å; L482-L489 HydrophobicContact CD1-CD2 4.45Å; L482-L489 HydrophobicContact CD2-CD2 3.73Å; L482-L489 HydrophobicContact CG-CD2 3.83Å; Y486-L489 WeakPolarHBondContact O-CB 3.44Å; Y486-L489 PolarHBondContact O-N 3.19Å; L489-I491 HydrophobicContact CD2-CD1 3.92Å; L489-I491 HydrophobicContact CD2-CG1 3.87Å; L489-I491 HydrophobicContact CG-CD1 4.33Å; L489-I491 HydrophobicContact CG-CG1 3.79Å
490	Q	92.3	Very high	79.2	Confident	115 Å²	115	85.8 Å²	85.8	54%	0.537	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	110.9	172.3	-62.6	-178.7	-2.3	0	0	108.6	R464 Q465 L466 Q488	R464-Q490 WeakPolarHBondContact O-CB 3.38Å; R464-Q490 PolarHBondContact O-N 3.14Å; Q465-Q490 CarbonylContact C-O 3.6Å; Q465-Q490 VanDerWaalsContact CA-O 3.31Å; Q465-Q490 WeakPolarHBondContact CA-O 3.46Å; L466-Q490 PolarHBondContact N-O 3.26Å; Q488-Q490 PolarHBondContact O-N 3.16Å
491	I	92.7	Very high	77.3	Confident	27 Å²	27	87.8 Å²	87.8	14%	0.138	50%	0.496	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	121.2	176	-54.8	-179.6	0	0	0	108.7	L466 L468 I479 L482 E483 L489	L466-I491 HydrophobicContact CB-CG1 4.46Å; L466-I491 WeakPolarHBondContact O-CA 3.45Å; L468-I491 HydrophobicContact CD1-CG2 3.92Å; I479-I491 HydrophobicContact CD1-CG2 4.41Å; I479-I491 HydrophobicContact CG2-CD1 3.88Å; I479-I491 HydrophobicContact CG2-CG2 4.06Å; L482-I491 HydrophobicContact CB-CD1 4.48Å; L482-I491 HydrophobicContact CD2-CD1 4Å; L482-I491 HydrophobicContact CG-CD1 4.32Å; E483-I491 HydrophobicContact CG-CD1 3.64Å; L489-I491 HydrophobicContact CD2-CD1 3.92Å; L489-I491 HydrophobicContact CD2-CG1 3.87Å; L489-I491 HydrophobicContact CG-CD1 4.33Å; L489-I491 HydrophobicContact CG-CG1 3.79Å
492	H	91.1	Very high	75.5	Confident	62 Å²	62	90.1 Å²	90.1	29%	0.287	52%	0.518	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	106.1	175.5	-57.5	123.8	0	0	0	109.2	L466 D467 L468 Y469	L466-H492 PolarHBondContact O-N 2.84Å; D467-H492 WeakPolarHBondContact OD1-CB 3.42Å; D467-H492 IonicContact OD1-CE1 3.08Å; D467-H492 IonicContact OD1-CG 3.84Å; D467-H492 IonicContact OD1-ND1 2.71Å; D467-H492 PolarHBondContact OD1-ND1 3.46Å; L468-H492 PolarHBondContact N-O 3.11Å; Y469-H492 HydrophobicContact CE2-CB 3.6Å
493	A	87.5	Confident	73.4	Confident	33 Å²	33	96.4 Å²	96.4	27%	0.273	55%	0.551	S	S	.	*			trans	-137.8	150.2	177.7	0	0	0	0	0	109.7	L468 I479 F495	L468-A493 HydrophobicContact CB-CB 4.26Å; I479-A493 HydrophobicContact CD1-CB 3.77Å; A493-F495 HydrophobicContact CB-CD2 4.47Å; A493-F495 HydrophobicContact CB-CE2 3.89Å
494	Y	82.1	Confident	71.1	Confident	141 Å²	141	99.1 Å²	99.1	55%	0.553	57%	0.573	S	S	*	*			trans	-115	113.7	172.2	-179.9	-103.9	0	0	0	110.1	A496	Y494-A496 HydrophobicContact CE1-CB 3.82Å
495	F	73.9	Confident	69.3	Low	93 Å²	93	100.9 Å²	100.9	41%	0.408	58%	0.575	S	S	.	*			trans	-101.4	108.9	165.5	-66.1	-84.4	0	0	0	107.6	K476 I479 A493	K476-F495 HydrophobicContact CB-CE1 4.38Å; K476-F495 HydrophobicContact CB-CZ 4.28Å; I479-F495 HydrophobicContact CD1-CE2 3.47Å; I479-F495 VanDerWaalsContact CD1-CE2 3.47Å; I479-F495 HydrophobicContact CD1-CZ 3.49Å; I479-F495 VanDerWaalsContact CD1-CZ 3.49Å; A493-F495 HydrophobicContact CB-CD2 4.47Å; A493-F495 HydrophobicContact CB-CE2 3.89Å
496	A	62.6	Low	67.4	Low	68 Å²	68	98.8 Å²	98.8	56%	0.562	58%	0.582	S	S	*	*	P	Polyproline II helix	trans	-53.3	126.6	171	0	0	0	0	0	108.4	Y494 G498	Y494-A496 HydrophobicContact CE1-CB 3.82Å; A496-G498 PolarHBondContact O-N 3.13Å
497	P	60.5	Low	65.2	Low	105 Å²	105	108.7 Å²	108.7	68%	0.682	62%	0.619	S	S	*	*	P	Polyproline II helix	trans	-56.9	129.6	173	20.7	-28.8	0	0	0	107.8	T499	P497-T499 PolarHBondContact O-N 3.08Å
498	G	55.3	Low	63.5	Low	69 Å²	69	114 Å²	114	71%	0.711	62%	0.623	S	S	*	*	P	Polyproline II helix	trans	-48	128.3	-177.7	0	0	0	0	0	109.8	A496 P500	A496-G498 PolarHBondContact O-N 3.13Å; G498-P500 WeakPolarHBondContact O-CD 3.3Å
499	T	49.8	Very low	61.4	Low	133 Å²	133	116.5 Å²	116.5	82%	0.816	63%	0.625	S	S	*	*	P	Polyproline II helix	trans	-50.1	117.4	178.5	-44	0	0	0	0	107.4	P497	P497-T499 PolarHBondContact O-N 3.08Å
500	P	47.4	Very low	59.2	Low	102 Å²	102	127.6 Å²	127.6	66%	0.662	67%	0.665	S	S	*	*	P	Polyproline II helix	trans	-55.9	139.1	-177.7	17.5	-28.1	0	0	0	108.3	G498 A502	G498-P500 WeakPolarHBondContact O-CD 3.3Å; P500-A502 PolarHBondContact O-N 3.27Å
501	P	51.3	Low	56.8	Low	115 Å²	115	132.2 Å²	132.2	75%	0.747	68%	0.679	S	S	*	*	P	Polyproline II helix	trans	-51.4	139.9	-178.4	19.9	-30.5	0	0	0	108.6	L503	P501-L503 VanDerWaalsContact C-N 3.28Å; P501-L503 PolarHBondContact O-N 2.94Å
502	A	52.1	Low	54.1	Low	100 Å²	100	135.5 Å²	135.5	83%	0.826	70%	0.704	S	S	*	*			trans	-57.8	94.3	-178.4	0	0	0	0	0	109.1	P500 T504	P500-A502 PolarHBondContact O-N 3.27Å; A502-T504 PolarHBondContact O-N 3.3Å; A502-T504 VanDerWaalsContact O-N 3.08Å
503	L	48.3	Very low	52	Low	139 Å²	139	144.3 Å²	144.3	73%	0.728	74%	0.735	S	S	*	*			trans	-57.1	119.7	169.7	-79.7	165.3	0	0	0	106	P501 F505	P501-L503 VanDerWaalsContact C-N 3.28Å; P501-L503 PolarHBondContact O-N 2.94Å; L503-F505 HydrophobicContact CB-CD2 4.25Å; L503-F505 PolarHBondContact O-N 3.12Å
504	T	42	Very low	49.8	Very low	139 Å²	139	148.2 Å²	148.2	85%	0.853	76%	0.759	S	S	*	*			trans	-60.9	72.8	172.2	36.4	0	0	0	0	109.5	A502	A502-T504 PolarHBondContact O-N 3.3Å; A502-T504 VanDerWaalsContact O-N 3.08Å
505	F	46.8	Very low	47.3	Very low	179 Å²	179	146.7 Å²	146.7	79%	0.785	77%	0.767	S	S	*	*			trans	-124.7	124.8	169.1	-85.5	-82.8	0	0	0	109.5	L503	L503-F505 HydrophobicContact CB-CD2 4.25Å; L503-F505 PolarHBondContact O-N 3.12Å
506	A	42.5	Very low	45.4	Very low	91 Å²	91	153.7 Å²	153.7	75%	0.752	79%	0.791	S	S	*	*			trans	-40.8	139.4	-173.4	0	0	0	0	0	115.1	R508	A506-R508 PolarHBondContact O-N 3.16Å
507	R	38.2	Very low	44	Very low	254 Å²	254	158.4 Å²	158.4	96%	0.958	81%	0.805	S	S	*	*			trans	-1.1	92.1	156.4	-75.8	177.8	166.5	-179.7	-3.5	114.6
508	R	41.8	Very low	42.8	Very low	232 Å²	232	164.6 Å²	164.6	88%	0.875	83%	0.83	S	S	*	*			trans	-129.6	123.8	151.3	-80.3	-169.3	175.4	-165.4	0	109.1	A506 R510	A506-R508 PolarHBondContact O-N 3.16Å; R508-R510 PolarHBondContact O-N 3.16Å; R508-R510 VanDerWaalsContact O-N 3.15Å
509	R	40.2	Very low	42.1	Very low	238 Å²	238	169.4 Å²	169.4	90%	0.898	84%	0.836	S	S	*	*			trans	-50.8	113.7	178.3	-68.7	179.3	174.7	-163.9	-1.8	109.3
510	R	44.2	Very low	41.7	Very low	244 Å²	244	171.3 Å²	171.3	92%	0.921	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-94.9	117.2	171.3	-66.8	-170.1	-165.3	172.6	5.3	108.9	R508	R508-R510 PolarHBondContact O-N 3.16Å; R508-R510 VanDerWaalsContact O-N 3.15Å
511	Y	42.1	Very low	41.4	Very low	212 Å²	212	175.2 Å²	175.2	83%	0.831	85%	0.847	S	S	*	*	P	Polyproline II helix	trans	-71.1	125.5	160.8	-76.3	-91	0	0	0	108.3
512	C	36.7	Very low	40.9	Very low	96 Å²	96	178.7 Å²	178.7	65%	0.649	85%	0.852	S	S	*	*	P	Polyproline II helix	trans	-75.8	125.3	164.5	-179.1	0	0	0	0	108.3
513	R	46.2	Very low	40.2	Very low	248 Å²	248	183.6 Å²	183.6	94%	0.936	85%	0.854	S	S	*	*	S	Bend	trans	-92.9	8.2	177.9	-96.7	-170.9	-179.9	-160.5	0.5	113.7
514	C	41.7	Very low	39.6	Very low	115 Å²	115	186.6 Å²	186.6	78%	0.777	86%	0.862	S	S	*	*	S	Bend	trans	-106.7	4.7	-168.7	-47.9	0	0	0	0	114.8
515	C	30.9	Very low	39.4	Very low	108 Å²	108	190 Å²	190	73%	0.73	86%	0.863	S	S	*	*	S	Bend	trans	-128.1	84.6	-178.3	-57.4	0	0	0	0	111.7
516	R	33.8	Very low	38.9	Very low	241 Å²	241	190.8 Å²	190.8	91%	0.909	87%	0.869	S	S	*	*			trans	169.7	119.1	148.1	-105.6	177.8	170	172.8	-3	109.1
517	I	33	Very low	38.6	Very low	167 Å²	167	199.2 Å²	199.2	86%	0.856	88%	0.879	S	S	*	*				-164.6	104.3	115.9	-81.8	143.6	0	0	0	105.4
518	I	34.2	Very low	38.6	Very low	235 Å²	235	194.2 Å²	194.2	100%	1.205	87%	0.872	S	S	*	*			trans	-76	0	138.1	-66.2	172.8	0	0	0	105.2

Retrieved 518 of 518 residues in 218.9 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).