A0A077ZHW0_TRITR Loading...

Branched-chain-amino-acid aminotransferase

AlphaFold DB , UniProt , Accession A0A077ZHW0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 381 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	42.2	Very low	36.2	Very low	240 Å²	240	181.5 Å²	181.5	100%	1.182	87%	0.873	S	S	*	*				0	82	0	-161	-173.6	-73.5	0	0	108
2	R	39.5	Very low	36.1	Very low	248 Å²	248	180.7 Å²	180.7	94%	0.936	87%	0.866	S	S	*	*			trans	165.7	59.9	172	-95.2	179.5	-167.2	-158.5	4.6	107.9
3	R	33.5	Very low	36	Very low	238 Å²	238	179.5 Å²	179.5	90%	0.898	87%	0.866	S	S	*	*			trans	-105.2	126.9	151.3	-79.8	179	172.9	164.9	-3	102.9
4	D	37.9	Very low	35.7	Very low	153 Å²	153	178.8 Å²	178.8	82%	0.818	87%	0.869	S	S	*	*			trans	140.8	51.6	168	-69.5	-14	0	0	0	113.9
5	I	40.3	Very low	35.5	Very low	160 Å²	160	172.8 Å²	172.8	82%	0.821	86%	0.86	S	S	*	*	S	Bend	trans	-127.9	1.5	167.9	-60.1	-179.1	0	0	0	113
6	L	35	Very low	35.6	Very low	181 Å²	181	172.9 Å²	172.9	95%	0.948	85%	0.854	S	S	*	*	S	Bend	trans	-111.4	20.7	-173.7	-72.2	173.4	0	0	0	116.4
7	S	33.8	Very low	36	Very low	104 Å²	104	168.8 Å²	168.8	73%	0.727	85%	0.854	S	S	*	*	S	Bend	trans	-119.3	22.3	-176.1	63.4	0	0	0	0	116.6
8	R	33.4	Very low	36.7	Very low	223 Å²	223	167.4 Å²	167.4	84%	0.842	84%	0.842	S	S	*	*	S	Bend	trans	-126	11.9	-174.8	-83	-168.3	177.6	-158.5	0.2	118.8
9	N	36	Very low	38.1	Very low	161 Å²	161	170.4 Å²	170.4	86%	0.861	84%	0.842	S	S	*	*	S	Bend	trans	-124.5	11.5	-179.7	-88.9	-6.1	0	0	0	116.9
10	E	33.9	Very low	40.1	Very low	193 Å²	193	167.4 Å²	167.4	90%	0.902	83%	0.828	S	S	*	*	S	Bend	trans	-99.7	9.9	178.9	-76	-169.1	159.3	0	0	115.3
11	S	32.4	Very low	42.3	Very low	95 Å²	95	165.2 Å²	165.2	66%	0.664	81%	0.814	S	S	*	*	S	Bend	trans	-101.2	17.3	-175.1	60.9	0	0	0	0	115.9
12	H	35.8	Very low	44.8	Very low	172 Å²	172	161.3 Å²	161.3	80%	0.796	79%	0.79	S	S	*	*	S	Bend	trans	-125.8	13.3	-179.6	-74.9	-63.6	0	0	0	116
13	L	34.6	Very low	47.5	Very low	166 Å²	166	149.6 Å²	149.6	87%	0.869	75%	0.746	S	S	*	*	S	Bend	trans	-100.8	17.8	178.8	-79.1	166.8	0	0	0	115.1
14	N	31.6	Very low	50.6	Low	169 Å²	169	140.9 Å²	140.9	90%	0.904	72%	0.716	S	S	*	*			trans	-122.3	80.2	176.6	-89	-27.4	0	0	0	111.3
15	A	32.3	Very low	53.4	Low	89 Å²	89	136.9 Å²	136.9	74%	0.736	69%	0.69	S	S	*	*	S	Bend	trans	-159.2	6.9	166.6	0	0	0	0	0	116.8
16	F	37.7	Very low	56.2	Low	175 Å²	175	136.6 Å²	136.6	77%	0.768	68%	0.683	S	S	*	*			trans	-138.8	76.7	169.1	-95.5	-91.3	0	0	0	109.7	F18	F16-F18 HydrophobicContact CB-CD2 4.18Å; F16-F18 HydrophobicContact CB-CE2 4.25Å; F16-F18 HydrophobicContact CD1-CD2 4.33Å; F16-F18 AromaticContact CD1-CE2 4Å; F16-F18 HydrophobicContact CD1-CE2 4Å; F16-F18 HydrophobicContact CD1-CZ 4.44Å; F16-F18 HydrophobicContact CG-CE2 4.43Å; F16-F18 PolarHBondContact O-N 3.25Å
17	A	41.3	Very low	59.1	Low	102 Å²	102	130.4 Å²	130.4	84%	0.843	65%	0.651	S	S	*	*			trans	-66.8	88.4	157.5	0	0	0	0	0	106.6	R19	A17-R19 PolarHBondContact O-N 2.87Å
18	F	49.6	Very low	62.2	Low	145 Å²	145	126.5 Å²	126.5	64%	0.636	62%	0.621	S	S	*	*			trans	-53.7	109.2	171.3	-96.4	-92.3	0	0	0	107.2	F16 I20	F16-F18 HydrophobicContact CB-CD2 4.18Å; F16-F18 HydrophobicContact CB-CE2 4.25Å; F16-F18 HydrophobicContact CD1-CD2 4.33Å; F16-F18 AromaticContact CD1-CE2 4Å; F16-F18 HydrophobicContact CD1-CE2 4Å; F16-F18 HydrophobicContact CD1-CZ 4.44Å; F16-F18 HydrophobicContact CG-CE2 4.43Å; F16-F18 PolarHBondContact O-N 3.25Å; F18-I20 VanDerWaalsContact C-N 3.33Å; F18-I20 PolarHBondContact O-N 3.1Å
19	R	63.7	Low	65.3	Low	223 Å²	223	121.7 Å²	121.7	84%	0.842	61%	0.607	S	S	*	*			trans	-71.5	95	180	-161.8	178.7	-169.6	-177.5	3.8	106.5	A17 F21	A17-R19 PolarHBondContact O-N 2.87Å; R19-F21 PolarHBondContact O-N 3.19Å; R19-F21 VanDerWaalsContact O-N 3.1Å
20	I	78.4	Confident	68.3	Low	111 Å²	111	119.1 Å²	119.1	57%	0.569	59%	0.588	S	S	*	*			trans	-55.5	118.3	174	-60.8	178.1	0	0	0	107.1	F18	F18-I20 VanDerWaalsContact C-N 3.33Å; F18-I20 PolarHBondContact O-N 3.1Å
21	F	86	Confident	71.4	Confident	122 Å²	122	113.9 Å²	113.9	54%	0.535	57%	0.569	S	S	.	*	B	Isolated β-bridge	trans	-69.4	141.1	-179.1	-78	-89.7	0	0	0	110.2	R19 D66 W68	R19-F21 PolarHBondContact O-N 3.19Å; R19-F21 VanDerWaalsContact O-N 3.1Å; F21-D66 PolarHBondContact N-O 3.01Å; F21-W68 WeakPolarHBondContact CB-O 3.19Å; F21-W68 PolarHBondContact O-N 2.87Å
22	K	93.5	Very high	74.5	Confident	157 Å²	157	113 Å²	113	68%	0.683	56%	0.555	S	S	*	*			trans	-106.2	146.8	174.8	-63	-174.6	178.9	-174.6	0	108.4	Q24	K22-Q24 HydrophobicContact CB-CG 4.37Å; K22-Q24 WeakPolarHBondContact O-CG 3.29Å; K22-Q24 PolarHBondContact O-N 3.49Å; K22-Q24 VanDerWaalsContact O-N 3.14Å
23	L	97.2	Very high	77.4	Confident	3 Å²	3	105.3 Å²	105.3	2%	0.016	52%	0.521	C	S	.	.			trans	-61.6	116.1	168.3	-174.1	166.7	0	0	0	107.6	V60 W68 F132 E136 F137 L183	L23-V60 HydrophobicContact CD1-CG1 3.82Å; L23-W68 HydrophobicContact CB-CB 4.02Å; L23-W68 HydrophobicContact CB-CD2 4.24Å; L23-W68 HydrophobicContact CB-CG 3.86Å; L23-F132 HydrophobicContact CB-CB 4.47Å; L23-F132 HydrophobicContact CD1-CB 4.29Å; L23-E136 HydrophobicContact CD2-CB 3.97Å; L23-F137 HydrophobicContact CD1-CD2 4.39Å; L23-L183 HydrophobicContact CD1-CD2 3.96Å
24	Q	97.5	Very high	80.4	Confident	55 Å²	55	99.9 Å²	99.9	26%	0.257	50%	0.495	S	S	.	.			trans	-128.5	131.6	175.5	-47.3	-148.1	-76.3	0	0	110	K22 K26 D27 E136	K22-Q24 HydrophobicContact CB-CG 4.37Å; K22-Q24 WeakPolarHBondContact O-CG 3.29Å; K22-Q24 PolarHBondContact O-N 3.49Å; K22-Q24 VanDerWaalsContact O-N 3.14Å; Q24-K26 HydrophobicContact CB-CG 4.07Å; Q24-K26 PolarHBondContact O-N 3.28Å; Q24-D27 PolarHBondContact O-N 3.37Å; Q24-D27 VanDerWaalsContact O-N 3.09Å; Q24-E136 WeakPolarHBondContact CA-OE2 3.44Å
25	Y	98.1	Very high	83.4	Confident	69 Å²	69	96.8 Å²	96.8	27%	0.271	49%	0.485	S	S	.	.	G	3₁₀ helix	trans	-58.7	-35.5	176.6	168	-114.7	0	0	0	112.3	D27 L28 E136 N139 E143 R146	Y25-D27 PolarHBondContact O-N 2.96Å; Y25-D27 VanDerWaalsContact O-N 3.11Å; Y25-L28 HydrophobicContact CD2-CB 4.38Å; Y25-L28 HydrophobicContact CD2-CD2 3.89Å; Y25-L28 HydrophobicContact CE2-CD2 3.78Å; Y25-L28 WeakPolarHBondContact O-CB 3.41Å; Y25-L28 PolarHBondContact O-N 2.78Å; Y25-E136 VanDerWaalsContact CB-OE2 3.24Å; Y25-E136 WeakPolarHBondContact CB-OE2 3.43Å; Y25-E136 PolarHBondContact N-OE2 3.25Å; Y25-N139 HydrophobicContact CD1-CB 3.92Å; Y25-N139 HydrophobicContact CD2-CB 3.9Å; Y25-N139 HydrophobicContact CE1-CB 4.48Å; Y25-N139 HydrophobicContact CE2-CB 4.47Å; Y25-N139 HydrophobicContact CG-CB 3.59Å; Y25-E143 HydrophobicContact CE2-CB 3.79Å; Y25-E143 HydrophobicContact CE2-CG 4.2Å; Y25-E143 PolarHBondContact OH-OE1 2.83Å; Y25-R146 PolarHBondContact OH-NH2 2.99Å
26	K	97.8	Very high	86.5	Confident	154 Å²	154	99.2 Å²	99.2	67%	0.67	49%	0.485	S	S	*	.	G	3₁₀ helix	trans	-60.1	-23.6	177.5	78.8	-171.8	-164.4	-164.5	0	113.4	Q24 L28	Q24-K26 HydrophobicContact CB-CG 4.07Å; Q24-K26 PolarHBondContact O-N 3.28Å; K26-L28 VanDerWaalsContact C-N 3.35Å
27	D	97.8	Very high	89.3	Confident	51 Å²	51	97.5 Å²	97.5	27%	0.273	48%	0.48	S	S	.	.	G	3₁₀ helix	trans	-93.2	4	-179.5	-65.5	-52.7	0	0	0	112.5	Q24 Y25 K29 K70	Q24-D27 PolarHBondContact O-N 3.37Å; Q24-D27 VanDerWaalsContact O-N 3.09Å; Y25-D27 PolarHBondContact O-N 2.96Å; Y25-D27 VanDerWaalsContact O-N 3.11Å; D27-K29 PolarHBondContact O-N 3.03Å; D27-K70 HydrophobicContact CB-CG 4.35Å
28	L	98.6	Very high	91.9	Very high	22 Å²	22	96.6 Å²	96.6	12%	0.115	45%	0.454	C	S	.	.			trans	-63.9	113.3	-178.9	-177.9	64.8	0	0	0	111.7	Y25 K26 F58 P71 I73 E143	Y25-L28 HydrophobicContact CD2-CB 4.38Å; Y25-L28 HydrophobicContact CD2-CD2 3.89Å; Y25-L28 HydrophobicContact CE2-CD2 3.78Å; Y25-L28 WeakPolarHBondContact O-CB 3.41Å; Y25-L28 PolarHBondContact O-N 2.78Å; K26-L28 VanDerWaalsContact C-N 3.35Å; L28-F58 HydrophobicContact CD1-CD2 4.09Å; L28-F58 HydrophobicContact CD1-CE2 3.98Å; L28-P71 WeakPolarHBondContact CA-O 3.49Å; L28-P71 HydrophobicContact CB-CG 4.3Å; L28-P71 HydrophobicContact CD1-CB 3.83Å; L28-P71 HydrophobicContact CD1-CG 4.15Å; L28-I73 HydrophobicContact CD1-CD1 4.32Å; L28-I73 HydrophobicContact CD1-CG1 4.16Å; L28-I73 HydrophobicContact CD2-CD1 3.91Å; L28-I73 HydrophobicContact CG-CD1 4.45Å; L28-E143 HydrophobicContact CD2-CB 3.9Å; L28-E143 HydrophobicContact CD2-CG 3.63Å
29	K	98.5	Very high	94.2	Very high	122 Å²	122	93.8 Å²	93.8	53%	0.53	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	146.4	171.7	-65.3	-177	177.7	-177.9	0	110.6	D27 P71 K72 I73	D27-K29 PolarHBondContact O-N 3.03Å; K29-P71 PolarHBondContact N-O 3.48Å; K29-K72 HydrophobicContact CB-CB 4.08Å; K29-K72 CarbonylContact O-C 3.58Å; K29-K72 WeakPolarHBondContact O-CA 3.39Å; K29-I73 PolarHBondContact O-N 2.78Å
30	K	98.5	Very high	95.7	Very high	107 Å²	107	92.1 Å²	92.1	47%	0.465	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	117	179.4	-59.6	168.3	-171.5	173.9	0	108.9	I32 I73 E143 I147	K30-I32 HydrophobicContact CB-CD1 4.09Å; K30-I32 HydrophobicContact CB-CG1 4.3Å; K30-I73 WeakPolarHBondContact CA-O 3.37Å; K30-E143 WeakPolarHBondContact CE-OE1 3.41Å; K30-E143 IonicContact NZ-OE1 3.97Å; K30-E143 PolarHBondContact NZ-OE1 3.06Å; K30-I147 HydrophobicContact CD-CD1 4.2Å; K30-I147 HydrophobicContact CG-CD1 4.28Å
31	V	98.1	Very high	96.5	Very high	83 Å²	83	91.6 Å²	91.6	50%	0.503	44%	0.437	S	S	.	.			trans	-113.1	99.3	171.2	-176	0	0	0	0	105.7	I73 C74 P75	V31-I73 PolarHBondContact N-O 2.59Å; V31-C74 HydrophobicContact CB-CB 4.39Å; V31-P75 WeakPolarHBondContact O-CD 3.4Å
32	I	98	Very high	96.7	Very high	75 Å²	75	90 Å²	90	39%	0.385	43%	0.43	S	S	.	.	P	Polyproline II helix	trans	-94.4	130.8	-169.9	-56.7	-57.9	0	0	0	109.8	K30 P34 H56 I147	K30-I32 HydrophobicContact CB-CD1 4.09Å; K30-I32 HydrophobicContact CB-CG1 4.3Å; I32-P34 WeakPolarHBondContact O-CD 3.37Å; I32-H56 WeakPolarHBondContact CA-NE2 3.45Å; I32-I147 HydrophobicContact CD1-CD1 3.77Å; I32-I147 HydrophobicContact CD1-CG1 4.13Å; I32-I147 HydrophobicContact CD1-CG2 3.88Å
33	V	97.8	Very high	96.6	Very high	12 Å²	12	85.9 Å²	85.9	7%	0.073	42%	0.42	C	S	.	.	P	Polyproline II helix	trans	-64.1	122.6	171.4	-178.9	0	0	0	0	108.9	E37 R38 D55 H56 P75	V33-E37 HydrophobicContact CG1-CB 3.7Å; V33-R38 HydrophobicContact CB-CG 4.47Å; V33-R38 HydrophobicContact CG1-CG 4.01Å; V33-D55 HydrophobicContact CG2-CB 4.44Å; V33-H56 PolarHBondContact N-NE2 2.86Å; V33-P75 HydrophobicContact CG2-CB 3.68Å; V33-P75 HydrophobicContact CG2-CG 3.7Å
34	P	96.8	Very high	96.2	Very high	51 Å²	51	88.1 Å²	88.1	33%	0.331	43%	0.429	S	S	.	.	P	Polyproline II helix	trans	-54.6	146.1	174.7	-25.9	35.2	0	0	0	112	I32 D36 E37 R38	I32-P34 WeakPolarHBondContact O-CD 3.37Å; P34-D36 WeakPolarHBondContact CB-OD1 3.13Å; P34-D36 PolarHBondContact O-N 2.93Å; P34-D36 VanDerWaalsContact O-N 3.09Å; P34-E37 HydrophobicContact CB-CG 4.42Å; P34-E37 HydrophobicContact CG-CG 4.48Å; P34-E37 PolarHBondContact O-N 2.63Å; P34-R38 WeakPolarHBondContact O-CG 3.33Å; P34-R38 PolarHBondContact O-N 3.29Å
35	P	95.2	Very high	95.7	Very high	105 Å²	105	90 Å²	90	68%	0.682	45%	0.449	S	S	*	.	G	3₁₀ helix	trans	-53.1	-33.2	-176.4	-28.7	36.3	0	0	0	115.4
36	D	95.8	Very high	95.3	Very high	140 Å²	140	92.1 Å²	92.1	75%	0.749	46%	0.461	S	S	*	.	G	3₁₀ helix	trans	-77.6	-17	179.3	55.1	-51.2	0	0	0	114.1	P34	P34-D36 WeakPolarHBondContact CB-OD1 3.13Å; P34-D36 PolarHBondContact O-N 2.93Å; P34-D36 VanDerWaalsContact O-N 3.09Å
37	E	96.5	Very high	95	Very high	138 Å²	138	85.8 Å²	85.8	65%	0.645	44%	0.435	S	S	*	.	G	3₁₀ helix	trans	-99	-2.4	175.8	-66.1	-178.6	-163.5	0	0	113.2	V33 P34	V33-E37 HydrophobicContact CG1-CB 3.7Å; P34-E37 HydrophobicContact CB-CG 4.42Å; P34-E37 HydrophobicContact CG-CG 4.48Å; P34-E37 PolarHBondContact O-N 2.63Å
38	R	96.9	Very high	94.5	Very high	83 Å²	83	90.9 Å²	90.9	31%	0.313	45%	0.45	S	S	.	.	S	Bend	trans	-69.1	149	-179.6	-67.3	-177	-174.8	-175.1	-2.4	111.8	V33 P34 D55 D150	V33-R38 HydrophobicContact CB-CG 4.47Å; V33-R38 HydrophobicContact CG1-CG 4.01Å; P34-R38 WeakPolarHBondContact O-CG 3.33Å; P34-R38 PolarHBondContact O-N 3.29Å; R38-D55 WeakPolarHBondContact CD-OD2 3.14Å; R38-D55 WeakPolarHBondContact CG-OD2 3.15Å; R38-D150 IonicContact NH1-OD2 2.82Å; R38-D150 PolarHBondContact NH1-OD2 3.26Å
39	K	97	Very high	94.1	Very high	86 Å²	86	94.2 Å²	94.2	37%	0.374	46%	0.464	S	S	.	.	P	Polyproline II helix	trans	-67.4	144.3	-179.1	-54.1	165.3	180	169	0	110.4	K41 F53 S54 D55 W151	K39-K41 PolarHBondContact O-N 3.44Å; K39-F53 PolarHBondContact NZ-O 3.14Å; K39-F53 VanDerWaalsContact NZ-O 3.11Å; K39-S54 PolarHBondContact NZ-O 3.02Å; K39-D55 PolarHBondContact N-OD1 3.36Å; K39-W151 HydrophobicContact CB-CH2 3.96Å; K39-W151 HydrophobicContact CB-CZ2 3.86Å; K39-W151 HydrophobicContact CD-CH2 4.38Å; K39-W151 HydrophobicContact CD-CZ2 4.3Å
40	Q	95.2	Very high	93.7	Very high	189 Å²	189	90.1 Å²	90.1	88%	0.883	46%	0.456	S	S	*	.	P	Polyproline II helix	trans	-69	128.2	169.6	-171.7	176.5	11	0	0	110
41	K	94.8	Very high	93.5	Very high	100 Å²	100	90.2 Å²	90.2	44%	0.435	46%	0.458	S	S	.	.	P	Polyproline II helix	trans	-79.3	134.1	176.9	-62	172.5	-169.9	163.3	0	109.9	K39 D150 W151	K39-K41 PolarHBondContact O-N 3.44Å; K41-D150 WeakPolarHBondContact CE-O 3.45Å; K41-D150 PolarHBondContact NZ-O 2.93Å; K41-W151 HydrophobicContact CG-CD2 4.35Å; K41-W151 HydrophobicContact CG-CE3 4.04Å; K41-W151 HydrophobicContact CG-CH2 3.94Å; K41-W151 HydrophobicContact CG-CZ2 4.22Å; K41-W151 HydrophobicContact CG-CZ3 3.84Å
42	K	91.4	Very high	93.3	Very high	89 Å²	89	87.4 Å²	87.4	39%	0.387	44%	0.441	S	S	.	.	P	Polyproline II helix	trans	-65.3	153.2	168.5	-67.2	-178.8	-173.4	151.7	0	110.6	F44 D52	K42-F44 PolarHBondContact O-N 3.28Å; K42-D52 WeakPolarHBondContact CD-OD1 3.3Å; K42-D52 WeakPolarHBondContact CE-OD1 3.41Å; K42-D52 VanDerWaalsContact NZ-CG 3.33Å; K42-D52 IonicContact NZ-OD1 3.06Å; K42-D52 PolarHBondContact NZ-OD1 2.71Å; K42-D52 IonicContact NZ-OD2 3.38Å; K42-D52 PolarHBondContact NZ-OD2 2.88Å
43	P	91.2	Very high	93.3	Very high	70 Å²	70	87 Å²	87	46%	0.455	44%	0.436	S	S	.	.	P	Polyproline II helix	trans	-52.3	139.4	165.2	-23.3	34	0	0	0	110.6	S45 E46	P43-S45 PolarHBondContact O-N 3.37Å; P43-S45 VanDerWaalsContact O-N 3.12Å; P43-E46 HydrophobicContact CB-CG 4.44Å; P43-E46 PolarHBondContact O-N 3.24Å
44	F	88.5	Confident	93.3	Very high	50 Å²	50	86.5 Å²	86.5	22%	0.219	43%	0.433	C	S	.	.	G	3₁₀ helix	trans	-58.2	-31.3	-176.2	178.4	-114.8	0	0	0	113.2	K42 E46 V47 P153 D155	K42-F44 PolarHBondContact O-N 3.28Å; F44-E46 PolarHBondContact O-N 3.47Å; F44-V47 HydrophobicContact CD2-CG2 4.38Å; F44-V47 WeakPolarHBondContact O-CB 3.48Å; F44-V47 PolarHBondContact O-N 2.86Å; F44-P153 HydrophobicContact CD2-CB 3.99Å; F44-P153 HydrophobicContact CD2-CG 4.13Å; F44-P153 HydrophobicContact CE2-CB 3.83Å; F44-P153 HydrophobicContact CE2-CG 3.86Å; F44-D155 HydrophobicContact CD1-CB 3.58Å; F44-D155 HydrophobicContact CE1-CB 3.49Å; F44-D155 VanDerWaalsContact CE1-CB 3.49Å; F44-D155 VanDerWaalsContact CE1-CG 3.43Å; F44-D155 HydrophobicContact CG-CB 4.29Å; F44-D155 HydrophobicContact CZ-CB 4.13Å
45	S	87.6	Confident	93.4	Very high	95 Å²	95	84.5 Å²	84.5	66%	0.664	42%	0.42	S	S	*	.	G	3₁₀ helix	trans	-63.1	-19	174.7	51.7	0	0	0	0	114.6	P43	P43-S45 PolarHBondContact O-N 3.37Å; P43-S45 VanDerWaalsContact O-N 3.12Å
46	E	90.3	Very high	93.6	Very high	113 Å²	113	79.6 Å²	79.6	53%	0.528	39%	0.387	S	S	.	.	G	3₁₀ helix	trans	-100.9	-7.5	-179.8	-64.5	177.7	-159.7	0	0	112.9	P43 F44 R48	P43-E46 HydrophobicContact CB-CG 4.44Å; P43-E46 PolarHBondContact O-N 3.24Å; F44-E46 PolarHBondContact O-N 3.47Å; E46-R48 PolarHBondContact O-N 3.38Å
47	V	89.7	Confident	93.7	Very high	20 Å²	20	73 Å²	73	12%	0.121	35%	0.353	C	S	.	.			trans	-67.4	125.4	-178.3	172	0	0	0	0	110.2	F44 P189	F44-V47 HydrophobicContact CD2-CG2 4.38Å; F44-V47 WeakPolarHBondContact O-CB 3.48Å; F44-V47 PolarHBondContact O-N 2.86Å; V47-P189 VanDerWaalsContact CG1-C 3.48Å; V47-P189 HydrophobicContact CG1-CB 4.01Å; V47-P189 HydrophobicContact CG1-CG 4.05Å; V47-P189 WeakPolarHBondContact CG1-O 3.44Å; V47-P189 HydrophobicContact CG2-CB 4.41Å; V47-P189 HydrophobicContact CG2-CG 4.21Å
48	R	88	Confident	93.9	Very high	159 Å²	159	66.5 Å²	66.5	60%	0.6	32%	0.322	S	S	*	.			trans	-113.5	152.2	176.9	-66.7	179.8	-179.2	-145.2	2.5	111	E46 G50 E51	E46-R48 PolarHBondContact O-N 3.38Å; R48-G50 PolarHBondContact O-N 2.59Å; R48-E51 HydrophobicContact CB-CB 4.25Å; R48-E51 HydrophobicContact CB-CG 3.92Å; R48-E51 WeakPolarHBondContact CB-OE1 3.43Å; R48-E51 WeakPolarHBondContact CD-OE1 3.31Å; R48-E51 WeakPolarHBondContact CD-OE2 3.17Å; R48-E51 PolarHBondContact O-N 2.8Å
49	F	89.8	Confident	93.9	Very high	92 Å²	92	63.2 Å²	63.2	40%	0.404	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	113.2	-175.6	-178.5	-93	0	0	0	111.5	Y161 V190	F49-Y161 HydrophobicContact CE2-CD1 4.42Å; F49-Y161 AromaticContact CE2-CD2 3.79Å; F49-Y161 HydrophobicContact CE2-CD2 3.79Å; F49-Y161 AromaticContact CE2-CE2 3.98Å; F49-Y161 HydrophobicContact CE2-CE2 3.98Å; F49-Y161 HydrophobicContact CE2-CG 4Å; F49-Y161 HydrophobicContact CZ-CD1 4.35Å; F49-Y161 HydrophobicContact CZ-CD2 4.19Å; F49-Y161 HydrophobicContact CZ-CE1 4.19Å; F49-Y161 AromaticContact CZ-CE2 3.98Å; F49-Y161 HydrophobicContact CZ-CE2 3.98Å; F49-Y161 HydrophobicContact CZ-CG 4.35Å; F49-Y161 AromaticContact CZ-CZ 3.98Å; F49-V190 HydrophobicContact CD2-CB 4.16Å; F49-V190 HydrophobicContact CD2-CG1 3.71Å; F49-V190 HydrophobicContact CE2-CG1 4.23Å; F49-V190 HydrophobicContact CG-CG1 4.46Å
50	G	90.6	Very high	94	Very high	36 Å²	36	59.2 Å²	59.2	37%	0.371	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.8	16.7	172.3	0	0	0	0	0	115.5	R48 F53	R48-G50 PolarHBondContact O-N 2.59Å; G50-F53 WeakPolarHBondContact O-CZ 3.45Å
51	E	93.6	Very high	94.2	Very high	108 Å²	108	56.5 Å²	56.5	51%	0.505	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.1	-30.8	177.8	-67	-174.2	-159.8	0	0	113.3	R48	R48-E51 HydrophobicContact CB-CB 4.25Å; R48-E51 HydrophobicContact CB-CG 3.92Å; R48-E51 WeakPolarHBondContact CB-OE1 3.43Å; R48-E51 WeakPolarHBondContact CD-OE1 3.31Å; R48-E51 WeakPolarHBondContact CD-OE2 3.17Å; R48-E51 PolarHBondContact O-N 2.8Å
52	D	95.2	Very high	94.3	Very high	24 Å²	24	53.8 Å²	53.8	13%	0.128	27%	0.267	C	S	.	.			trans	-104.9	138.9	179.1	-64.8	-68.3	0	0	0	110.7	K42 G188 P189	K42-D52 WeakPolarHBondContact CD-OD1 3.3Å; K42-D52 WeakPolarHBondContact CE-OD1 3.41Å; K42-D52 VanDerWaalsContact NZ-CG 3.33Å; K42-D52 IonicContact NZ-OD1 3.06Å; K42-D52 PolarHBondContact NZ-OD1 2.71Å; K42-D52 IonicContact NZ-OD2 3.38Å; K42-D52 PolarHBondContact NZ-OD2 2.88Å; D52-G188 VanDerWaalsContact O-CA 3.24Å; D52-G188 WeakPolarHBondContact O-CA 3.11Å; D52-P189 HydrophobicContact CB-CG 4.16Å
53	F	97.9	Very high	94.7	Very high	68 Å²	68	51.2 Å²	51.2	30%	0.298	26%	0.259	S	S	.	.			trans	-127.6	143.6	-179.5	-60.5	-80.7	0	0	0	111.6	K39 G50 F76 I186 A187	K39-F53 PolarHBondContact NZ-O 3.14Å; K39-F53 VanDerWaalsContact NZ-O 3.11Å; G50-F53 WeakPolarHBondContact O-CZ 3.45Å; F53-F76 HydrophobicContact CB-CD2 3.99Å; F53-F76 HydrophobicContact CB-CE2 3.58Å; F53-F76 HydrophobicContact CB-CZ 3.96Å; F53-F76 AromaticContact CD1-CE2 3.95Å; F53-F76 HydrophobicContact CD1-CE2 3.95Å; F53-F76 HydrophobicContact CD1-CZ 4.3Å; F53-F76 HydrophobicContact CD2-CE2 4.44Å; F53-F76 HydrophobicContact CD2-CZ 4.1Å; F53-F76 AromaticContact CG-CE2 3.73Å; F53-F76 HydrophobicContact CG-CE2 3.73Å; F53-F76 AromaticContact CG-CZ 3.85Å; F53-F76 HydrophobicContact CG-CZ 3.85Å; F53-I186 HydrophobicContact CD1-CB 4.29Å; F53-I186 HydrophobicContact CD1-CD1 4.25Å; F53-I186 HydrophobicContact CD1-CG1 4.45Å; F53-I186 HydrophobicContact CE1-CD1 3.7Å; F53-I186 HydrophobicContact CE1-CG1 4.25Å; F53-I186 HydrophobicContact CZ-CD1 4.5Å; F53-A187 WeakPolarHBondContact CA-O 3.45Å
54	S	98.3	Very high	94.9	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.258	C	S	.	.			trans	-66.5	175.7	-178.8	68.8	0	0	0	0	113.8	K39 H56 E148 A187	K39-S54 PolarHBondContact NZ-O 3.02Å; S54-H56 PolarHBondContact O-N 2.84Å; S54-H56 PolarHBondContact OG-O 2.98Å; S54-E148 VanDerWaalsContact CB-CD 3.48Å; S54-E148 WeakPolarHBondContact CB-OE2 3.47Å; S54-E148 VanDerWaalsContact OG-CD 3.32Å; S54-A187 PolarHBondContact N-O 2.77Å; S54-A187 PolarHBondContact OG-O 2.75Å
55	D	98.6	Very high	95.2	Very high	10 Å²	10	57 Å²	57	5%	0.053	28%	0.28	C	S	.	.	S	Bend	trans	-70	-32.7	-170.9	-66.1	-49.4	0	0	0	112.8	V33 R38 K39 F76 E148 W151	V33-D55 HydrophobicContact CG2-CB 4.44Å; R38-D55 WeakPolarHBondContact CD-OD2 3.14Å; R38-D55 WeakPolarHBondContact CG-OD2 3.15Å; K39-D55 PolarHBondContact N-OD1 3.36Å; D55-F76 WeakPolarHBondContact O-CB 3.42Å; D55-F76 PolarHBondContact O-N 2.98Å; D55-E148 PolarHBondContact N-OE2 2.93Å; D55-W151 VanDerWaalsContact CG-NE1 3.29Å; D55-W151 PolarHBondContact OD2-NE1 2.67Å
56	H	98.8	Very high	95.6	Very high	1 Å²	1	55.1 Å²	55.1	1%	0.005	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	168.3	-177.4	-43.1	78.9	0	0	0	111.8	I32 V33 S54 I73 C74 F144 E148	I32-H56 WeakPolarHBondContact CA-NE2 3.45Å; V33-H56 PolarHBondContact N-NE2 2.86Å; S54-H56 PolarHBondContact O-N 2.84Å; S54-H56 PolarHBondContact OG-O 2.98Å; H56-I73 HydrophobicContact CB-CG2 3.74Å; H56-C74 CarbonylContact C-O 3.59Å; H56-C74 WeakPolarHBondContact CA-O 3.36Å; H56-C74 WeakPolarHBondContact CB-O 3.28Å; H56-F144 HydrophobicContact CB-CE2 4.49Å; H56-F144 WeakPolarHBondContact O-CE2 3.45Å; H56-E148 VanDerWaalsContact CA-OE1 3.27Å; H56-E148 WeakPolarHBondContact CA-OE1 3.46Å; H56-E148 WeakPolarHBondContact CB-OE1 2.97Å; H56-E148 IonicContact CE1-OE1 3.1Å; H56-E148 IonicContact CG-OE1 2.93Å; H56-E148 PolarHBondContact N-OE1 3.47Å; H56-E148 IonicContact ND1-OE1 3.83Å; H56-E148 PolarHBondContact ND1-OE1 3.27Å; H56-E148 IonicContact ND1-OE2 3.74Å
57	M	98.8	Very high	95.9	Very high	3 Å²	3	49.9 Å²	49.9	2%	0.015	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	156.8	164.6	62.2	-174.5	-73.6	0	0	109.8	E59 I73 C74 F76 L79 Y184 I185 I186	M57-E59 HydrophobicContact CE-CB 4.45Å; M57-I73 VanDerWaalsContact O-CA 3.31Å; M57-I73 WeakPolarHBondContact O-CA 3.4Å; M57-C74 PolarHBondContact N-O 3.14Å; M57-C74 PolarHBondContact O-N 3.43Å; M57-F76 HydrophobicContact CB-CD2 4.47Å; M57-L79 HydrophobicContact CE-CD2 4.09Å; M57-Y184 HydrophobicContact CE-CD2 4.33Å; M57-Y184 HydrophobicContact CE-CG 4.41Å; M57-I185 WeakPolarHBondContact CA-O 3.24Å; M57-I185 WeakPolarHBondContact CB-O 3.48Å; M57-I186 HydrophobicContact CB-CG2 4.26Å
58	F	98.9	Very high	96.3	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	142.3	165.6	166.1	-84.1	0	0	0	109	L28 V60 P71 K72 I73 F137 C140 F144 L183 Y184 I185	L28-F58 HydrophobicContact CD1-CD2 4.09Å; L28-F58 HydrophobicContact CD1-CE2 3.98Å; F58-V60 HydrophobicContact CE1-CB 4.37Å; F58-V60 HydrophobicContact CE1-CG1 3.77Å; F58-V60 HydrophobicContact CZ-CB 4.2Å; F58-V60 HydrophobicContact CZ-CG1 3.82Å; F58-P71 HydrophobicContact CE2-CB 3.48Å; F58-P71 VanDerWaalsContact CE2-CB 3.48Å; F58-P71 HydrophobicContact CZ-CB 3.71Å; F58-K72 CarbonylContact C-O 3.51Å; F58-K72 VanDerWaalsContact CA-O 3.31Å; F58-K72 WeakPolarHBondContact CA-O 3.15Å; F58-I73 HydrophobicContact CB-CG1 4.26Å; F58-I73 HydrophobicContact CD2-CG1 4.23Å; F58-F137 HydrophobicContact CE1-CD2 4.47Å; F58-F137 HydrophobicContact CE1-CE2 4.07Å; F58-F137 HydrophobicContact CZ-CD2 4.49Å; F58-F137 HydrophobicContact CZ-CE2 4.49Å; F58-C140 HydrophobicContact CD2-CB 4.09Å; F58-C140 HydrophobicContact CE2-CB 3.48Å; F58-C140 VanDerWaalsContact CE2-CB 3.48Å; F58-C140 HydrophobicContact CZ-CB 4.13Å; F58-F144 HydrophobicContact CB-CD2 4.31Å; F58-F144 HydrophobicContact CB-CG 4.48Å; F58-L183 HydrophobicContact CE1-CG 4.24Å; F58-Y184 CarbonylContact O-C 3.58Å; F58-Y184 WeakPolarHBondContact O-CA 3.46Å; F58-Y184 VanDerWaalsContact O-CB 3.22Å; F58-Y184 WeakPolarHBondContact O-CB 3.42Å; F58-I185 HydrophobicContact CB-CB 3.94Å; F58-I185 HydrophobicContact CB-CD1 4.05Å; F58-I185 HydrophobicContact CB-CG1 4.08Å; F58-I185 HydrophobicContact CD1-CB 4.48Å; F58-I185 HydrophobicContact CD1-CD1 3.94Å; F58-I185 HydrophobicContact CD1-CG1 3.82Å; F58-I185 HydrophobicContact CG-CD1 4.04Å; F58-I185 HydrophobicContact CG-CG1 4.23Å; F58-I185 PolarHBondContact N-O 3.43Å; F58-I185 PolarHBondContact O-N 2.91Å
59	E	98.7	Very high	96.8	Very high	14 Å²	14	43.5 Å²	43.5	7%	0.065	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	151.2	167.3	62.4	177.7	-151	0	0	114	M57 K72 H77 L182 L183	M57-E59 HydrophobicContact CE-CB 4.45Å; E59-K72 HydrophobicContact CG-CD 4.29Å; E59-K72 HydrophobicContact CG-CG 3.87Å; E59-K72 PolarHBondContact N-O 2.86Å; E59-K72 PolarHBondContact O-N 2.89Å; E59-K72 WeakPolarHBondContact OE1-CE 3.42Å; E59-K72 IonicContact OE1-NZ 2.62Å; E59-K72 PolarHBondContact OE1-NZ 3.04Å; E59-H77 IonicContact OE1-CE1 3.59Å; E59-H77 IonicContact OE1-NE2 3.21Å; E59-H77 IonicContact OE2-CE1 2.87Å; E59-H77 PolarHBondContact OE2-CE1 2.92Å; E59-H77 IonicContact OE2-NE2 2.71Å; E59-H77 PolarHBondContact OE2-NE2 2.88Å; E59-L182 HydrophobicContact CB-CD1 4.07Å; E59-L183 CarbonylContact C-O 3.52Å; E59-L183 VanDerWaalsContact CA-O 3.32Å; E59-L183 WeakPolarHBondContact CA-O 3.22Å
60	V	98.7	Very high	97.1	Very high	3 Å²	3	44.9 Å²	44.9	2%	0.018	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	127	174	64	0	0	0	0	110.1	L23 F58 W68 G69 P71 L183	L23-V60 HydrophobicContact CD1-CG1 3.82Å; F58-V60 HydrophobicContact CE1-CB 4.37Å; F58-V60 HydrophobicContact CE1-CG1 3.77Å; F58-V60 HydrophobicContact CZ-CB 4.2Å; F58-V60 HydrophobicContact CZ-CG1 3.82Å; V60-W68 HydrophobicContact CB-CE3 4.48Å; V60-W68 HydrophobicContact CG1-CE3 3.81Å; V60-W68 HydrophobicContact CG1-CZ3 3.83Å; V60-W68 HydrophobicContact CG2-CE3 3.99Å; V60-G69 WeakPolarHBondContact CG2-O 3.36Å; V60-P71 HydrophobicContact CB-CB 4.01Å; V60-P71 HydrophobicContact CG2-CB 4.12Å; V60-L183 HydrophobicContact CG1-CB 3.79Å; V60-L183 HydrophobicContact CG1-CD2 4.01Å; V60-L183 HydrophobicContact CG1-CG 4.1Å; V60-L183 PolarHBondContact N-O 2.99Å; V60-L183 PolarHBondContact O-N 3.31Å
61	E	98.4	Very high	97.5	Very high	132 Å²	132	43.2 Å²	43.2	62%	0.617	21%	0.211	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-84.3	156.1	176.4	-67.1	-178.3	171.4	0	0	111.3	G69 S181 L182	E61-G69 PolarHBondContact O-N 2.78Å; E61-S181 CarbonylContact C-O 3.59Å; E61-L182 HydrophobicContact CG-CD1 4.05Å
62	W	98.5	Very high	97.8	Very high	42 Å²	42	41.6 Å²	41.6	16%	0.159	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	143.4	170.4	177.7	92.9	0	0	0	110.5	G67 W68 P130 P178 S180 S181	W62-G67 VanDerWaalsContact CA-O 3.32Å; W62-G67 WeakPolarHBondContact CA-O 3.46Å; W62-W68 HydrophobicContact CB-CD2 3.91Å; W62-W68 HydrophobicContact CB-CE3 3.6Å; W62-W68 HydrophobicContact CB-CH2 4.01Å; W62-W68 HydrophobicContact CB-CZ2 4.34Å; W62-W68 HydrophobicContact CB-CZ3 3.64Å; W62-W68 AromaticContact CD1-CD1 3.78Å; W62-W68 AromaticContact CD1-CD2 3.72Å; W62-W68 AromaticContact CD1-CE2 3.74Å; W62-W68 AromaticContact CD1-CG 3.75Å; W62-W68 AromaticContact CD1-NE1 3.78Å; W62-W68 HydrophobicContact CG-CD2 4.17Å; W62-W68 HydrophobicContact CG-CE3 4.34Å; W62-W68 HydrophobicContact CG-CZ2 4.45Å; W62-P130 HydrophobicContact CB-CG 4.1Å; W62-P130 HydrophobicContact CD2-CB 3.48Å; W62-P130 VanDerWaalsContact CD2-CB 3.48Å; W62-P130 HydrophobicContact CD2-CG 3.51Å; W62-P130 VanDerWaalsContact CE2-CB 3.43Å; W62-P130 HydrophobicContact CE3-CB 3.99Å; W62-P130 HydrophobicContact CE3-CG 3.65Å; W62-P130 HydrophobicContact CG-CB 3.71Å; W62-P130 HydrophobicContact CG-CG 3.68Å; W62-P130 HydrophobicContact CH2-CB 4.36Å; W62-P130 HydrophobicContact CZ2-CB 3.92Å; W62-P130 HydrophobicContact CZ3-CB 4.39Å; W62-P130 HydrophobicContact CZ3-CG 4.24Å; W62-P178 WeakPolarHBondContact CZ3-O 3.24Å; W62-S180 VanDerWaalsContact O-CA 3.23Å; W62-S180 WeakPolarHBondContact O-CA 3.47Å; W62-S180 PolarHBondContact O-OG 2.81Å; W62-S180 VanDerWaalsContact O-OG 3.1Å; W62-S181 PolarHBondContact N-O 2.91Å; W62-S181 PolarHBondContact O-N 2.89Å
63	T	97.9	Very high	97.9	Very high	36 Å²	36	40.5 Å²	40.5	22%	0.221	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	152.3	166	73.5	0	0	0	0	110.7	R65 D66 G67 N179	T63-R65 PolarHBondContact O-N 3.24Å; T63-D66 PolarHBondContact O-N 3.06Å; T63-D66 WeakPolarHBondContact OG1-CB 3.27Å; T63-D66 PolarHBondContact OG1-N 3.12Å; T63-D66 PolarHBondContact OG1-OD2 2.83Å; T63-G67 PolarHBondContact N-O 2.95Å; T63-G67 WeakPolarHBondContact O-CA 3.42Å; T63-G67 PolarHBondContact O-N 3.34Å; T63-N179 CarbonylContact C-O 3.5Å; T63-N179 VanDerWaalsContact CA-O 3.28Å; T63-N179 WeakPolarHBondContact CA-O 3.1Å
64	S	95.6	Very high	98	Very high	61 Å²	61	37.6 Å²	37.6	43%	0.427	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-23.9	175.5	58.6	0	0	0	0	113.2	N179	S64-N179 WeakPolarHBondContact CB-OD1 2.91Å; S64-N179 PolarHBondContact N-O 2.9Å; S64-N179 WeakPolarHBondContact OG-CB 3.22Å; S64-N179 PolarHBondContact OG-OD1 3.31Å
65	R	95.3	Very high	98	Very high	181 Å²	181	40.1 Å²	40.1	68%	0.683	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-48	176.7	-174.1	-173.2	66.3	-148.9	-6.3	112.5	T63	T63-R65 PolarHBondContact O-N 3.24Å
66	D	96.1	Very high	98	Very high	54 Å²	54	42.6 Å²	42.6	29%	0.289	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.2	-16.9	-166.5	-52.4	-45	0	0	0	113	F21 T63	F21-D66 PolarHBondContact N-O 3.01Å; T63-D66 PolarHBondContact O-N 3.06Å; T63-D66 WeakPolarHBondContact OG1-CB 3.27Å; T63-D66 PolarHBondContact OG1-N 3.12Å; T63-D66 PolarHBondContact OG1-OD2 2.83Å
67	G	97.2	Very high	98	Very high	3 Å²	3	46 Å²	46	3%	0.031	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	81.7	-151.2	-169.4	0	0	0	0	0	112.3	W62 T63	W62-G67 VanDerWaalsContact CA-O 3.32Å; W62-G67 WeakPolarHBondContact CA-O 3.46Å; T63-G67 PolarHBondContact N-O 2.95Å; T63-G67 WeakPolarHBondContact O-CA 3.42Å; T63-G67 PolarHBondContact O-N 3.34Å
68	W	98.2	Very high	98	Very high	11 Å²	11	52.6 Å²	52.6	4%	0.042	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	132.7	178.2	-73.2	102.2	0	0	0	110.9	F21 L23 V60 W62 P130 N131 F132 M166 L183	F21-W68 WeakPolarHBondContact CB-O 3.19Å; F21-W68 PolarHBondContact O-N 2.87Å; L23-W68 HydrophobicContact CB-CB 4.02Å; L23-W68 HydrophobicContact CB-CD2 4.24Å; L23-W68 HydrophobicContact CB-CG 3.86Å; V60-W68 HydrophobicContact CB-CE3 4.48Å; V60-W68 HydrophobicContact CG1-CE3 3.81Å; V60-W68 HydrophobicContact CG1-CZ3 3.83Å; V60-W68 HydrophobicContact CG2-CE3 3.99Å; W62-W68 HydrophobicContact CB-CD2 3.91Å; W62-W68 HydrophobicContact CB-CE3 3.6Å; W62-W68 HydrophobicContact CB-CH2 4.01Å; W62-W68 HydrophobicContact CB-CZ2 4.34Å; W62-W68 HydrophobicContact CB-CZ3 3.64Å; W62-W68 AromaticContact CD1-CD1 3.78Å; W62-W68 AromaticContact CD1-CD2 3.72Å; W62-W68 AromaticContact CD1-CE2 3.74Å; W62-W68 AromaticContact CD1-CG 3.75Å; W62-W68 AromaticContact CD1-NE1 3.78Å; W62-W68 HydrophobicContact CG-CD2 4.17Å; W62-W68 HydrophobicContact CG-CE3 4.34Å; W62-W68 HydrophobicContact CG-CZ2 4.45Å; W68-P130 HydrophobicContact CH2-CB 4.42Å; W68-P130 HydrophobicContact CH2-CG 3.85Å; W68-P130 HydrophobicContact CZ2-CB 3.71Å; W68-P130 HydrophobicContact CZ2-CG 3.63Å; W68-N131 PolarHBondContact NE1-O 2.86Å; W68-F132 HydrophobicContact CH2-CD1 4.5Å; W68-F132 HydrophobicContact CZ2-CB 4.17Å; W68-F132 AromaticContact CZ2-CD1 3.94Å; W68-F132 HydrophobicContact CZ2-CD1 3.94Å; W68-M166 HydrophobicContact CH2-CE 3.63Å; W68-M166 HydrophobicContact CH2-SD 4.22Å; W68-M166 HydrophobicContact CZ2-CE 4.01Å; W68-L183 HydrophobicContact CH2-CB 3.92Å; W68-L183 HydrophobicContact CH2-CD2 4.24Å; W68-L183 HydrophobicContact CZ3-CB 3.76Å; W68-L183 HydrophobicContact CZ3-CD2 4.35Å
69	G	97.3	Very high	98	Very high	34 Å²	34	55.3 Å²	55.3	35%	0.351	28%	0.277	S	S	.	.			trans	-69	-174	170.4	0	0	0	0	0	112.9	V60 E61	V60-G69 WeakPolarHBondContact CG2-O 3.36Å; E61-G69 PolarHBondContact O-N 2.78Å
70	K	97.4	Very high	97.9	Very high	121 Å²	121	61.7 Å²	61.7	53%	0.526	32%	0.316	S	S	.	.			trans	-77.5	122.7	172.8	-64.6	-171.8	179.2	-171.4	0	109	D27	D27-K70 HydrophobicContact CB-CG 4.35Å
71	P	98.6	Very high	97.9	Very high	1 Å²	1	64.2 Å²	64.2	1%	0.006	33%	0.33	C	S	.	.			trans	-65	150.4	176.9	25.7	-30	0	0	0	110.6	L28 K29 F58 V60	L28-P71 WeakPolarHBondContact CA-O 3.49Å; L28-P71 HydrophobicContact CB-CG 4.3Å; L28-P71 HydrophobicContact CD1-CB 3.83Å; L28-P71 HydrophobicContact CD1-CG 4.15Å; K29-P71 PolarHBondContact N-O 3.48Å; F58-P71 HydrophobicContact CE2-CB 3.48Å; F58-P71 VanDerWaalsContact CE2-CB 3.48Å; F58-P71 HydrophobicContact CZ-CB 3.71Å; V60-P71 HydrophobicContact CB-CB 4.01Å; V60-P71 HydrophobicContact CG2-CB 4.12Å
72	K	98.7	Very high	97.9	Very high	75 Å²	75	62.4 Å²	62.4	33%	0.326	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	148.6	174.1	63.6	179.9	179.6	172.5	0	111.8	K29 F58 E59 C74	K29-K72 HydrophobicContact CB-CB 4.08Å; K29-K72 CarbonylContact O-C 3.58Å; K29-K72 WeakPolarHBondContact O-CA 3.39Å; F58-K72 CarbonylContact C-O 3.51Å; F58-K72 VanDerWaalsContact CA-O 3.31Å; F58-K72 WeakPolarHBondContact CA-O 3.15Å; E59-K72 HydrophobicContact CG-CD 4.29Å; E59-K72 HydrophobicContact CG-CG 3.87Å; E59-K72 PolarHBondContact N-O 2.86Å; E59-K72 PolarHBondContact O-N 2.89Å; E59-K72 WeakPolarHBondContact OE1-CE 3.42Å; E59-K72 IonicContact OE1-NZ 2.62Å; E59-K72 PolarHBondContact OE1-NZ 3.04Å; K72-C74 HydrophobicContact CD-CB 4.39Å
73	I	98.9	Very high	97.9	Very high	0 Å²	0	65 Å²	65	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	123.3	159.7	-66.5	161.4	0	0	0	106.3	L28 K29 K30 V31 H56 M57 F58 E143 F144 I147	L28-I73 HydrophobicContact CD1-CD1 4.32Å; L28-I73 HydrophobicContact CD1-CG1 4.16Å; L28-I73 HydrophobicContact CD2-CD1 3.91Å; L28-I73 HydrophobicContact CG-CD1 4.45Å; K29-I73 PolarHBondContact O-N 2.78Å; K30-I73 WeakPolarHBondContact CA-O 3.37Å; V31-I73 PolarHBondContact N-O 2.59Å; H56-I73 HydrophobicContact CB-CG2 3.74Å; M57-I73 VanDerWaalsContact O-CA 3.31Å; M57-I73 WeakPolarHBondContact O-CA 3.4Å; F58-I73 HydrophobicContact CB-CG1 4.26Å; F58-I73 HydrophobicContact CD2-CG1 4.23Å; I73-E143 HydrophobicContact CD1-CB 4.41Å; I73-E143 HydrophobicContact CD1-CG 3.98Å; I73-F144 HydrophobicContact CD1-CB 3.9Å; I73-F144 HydrophobicContact CG1-CB 4.32Å; I73-F144 HydrophobicContact CG1-CD2 4.37Å; I73-F144 HydrophobicContact CG2-CD2 4.31Å; I73-I147 HydrophobicContact CB-CD1 4.39Å; I73-I147 HydrophobicContact CD1-CD1 3.66Å; I73-I147 HydrophobicContact CG2-CD1 4.04Å
74	C	98.7	Very high	97.9	Very high	8 Å²	8	63.9 Å²	63.9	5%	0.054	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	165.2	-173.7	56.8	0	0	0	0	110.7	V31 H56 M57 K72 F76	V31-C74 HydrophobicContact CB-CB 4.39Å; H56-C74 CarbonylContact C-O 3.59Å; H56-C74 WeakPolarHBondContact CA-O 3.36Å; H56-C74 WeakPolarHBondContact CB-O 3.28Å; M57-C74 PolarHBondContact N-O 3.14Å; M57-C74 PolarHBondContact O-N 3.43Å; K72-C74 HydrophobicContact CD-CB 4.39Å; C74-F76 PolarHBondContact O-N 3.28Å
75	P	98.7	Very high	98.1	Very high	52 Å²	52	61 Å²	61	34%	0.338	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-51.1	142.7	175.8	-25.7	35.1	0	0	0	111.3	V31 V33 H77	V31-P75 WeakPolarHBondContact O-CD 3.4Å; V33-P75 HydrophobicContact CG2-CB 3.68Å; V33-P75 HydrophobicContact CG2-CG 3.7Å; P75-H77 PolarHBondContact O-CD2 3.07Å; P75-H77 VanDerWaalsContact O-CD2 3.26Å; P75-H77 PolarHBondContact O-N 3.24Å
76	F	98.6	Very high	98.1	Very high	62 Å²	62	52.6 Å²	52.6	27%	0.272	29%	0.286	S	S	.	.			trans	-59.4	128.9	176.6	-174.4	-78.9	0	0	0	110.1	F53 D55 M57 C74 I186	F53-F76 HydrophobicContact CB-CD2 3.99Å; F53-F76 HydrophobicContact CB-CE2 3.58Å; F53-F76 HydrophobicContact CB-CZ 3.96Å; F53-F76 AromaticContact CD1-CE2 3.95Å; F53-F76 HydrophobicContact CD1-CE2 3.95Å; F53-F76 HydrophobicContact CD1-CZ 4.3Å; F53-F76 HydrophobicContact CD2-CE2 4.44Å; F53-F76 HydrophobicContact CD2-CZ 4.1Å; F53-F76 AromaticContact CG-CE2 3.73Å; F53-F76 HydrophobicContact CG-CE2 3.73Å; F53-F76 AromaticContact CG-CZ 3.85Å; F53-F76 HydrophobicContact CG-CZ 3.85Å; D55-F76 WeakPolarHBondContact O-CB 3.42Å; D55-F76 PolarHBondContact O-N 2.98Å; M57-F76 HydrophobicContact CB-CD2 4.47Å; C74-F76 PolarHBondContact O-N 3.28Å; F76-I186 HydrophobicContact CD2-CG2 4.3Å; F76-I186 HydrophobicContact CE2-CB 4.13Å; F76-I186 HydrophobicContact CE2-CG2 3.68Å
77	H	98.4	Very high	98.2	Very high	74 Å²	74	50.7 Å²	50.7	34%	0.343	28%	0.276	S	S	.	.			trans	-146.2	165.5	-179.8	65.5	80.2	0	0	0	112.4	E59 P75	E59-H77 IonicContact OE1-CE1 3.59Å; E59-H77 IonicContact OE1-NE2 3.21Å; E59-H77 IonicContact OE2-CE1 2.87Å; E59-H77 PolarHBondContact OE2-CE1 2.92Å; E59-H77 IonicContact OE2-NE2 2.71Å; E59-H77 PolarHBondContact OE2-NE2 2.88Å; P75-H77 PolarHBondContact O-CD2 3.07Å; P75-H77 VanDerWaalsContact O-CD2 3.26Å; P75-H77 PolarHBondContact O-N 3.24Å
78	D	98.6	Very high	98.3	Very high	141 Å²	141	55.5 Å²	55.5	75%	0.754	30%	0.301	S	S	*	.			trans	-71.2	145.6	171.5	-70	-25.2	0	0	0	111.2
79	L	98.6	Very high	98.2	Very high	56 Å²	56	59.4 Å²	59.4	29%	0.293	32%	0.319	S	S	.	.			trans	-81.6	126.2	175.8	-62	-178.6	0	0	0	110.6	M57 L81 I167 L182 Y184	M57-L79 HydrophobicContact CE-CD2 4.09Å; L79-L81 HydrophobicContact CB-CD2 4.43Å; L79-L81 HydrophobicContact CB-CG 4.24Å; L79-I167 HydrophobicContact CD1-CD1 4.17Å; L79-L182 HydrophobicContact CD1-CD2 4.12Å; L79-L182 HydrophobicContact CD2-CD2 3.75Å; L79-Y184 HydrophobicContact CD1-CD1 4.32Å; L79-Y184 HydrophobicContact CD1-CE1 3.89Å
80	V	98.1	Very high	98.2	Very high	148 Å²	148	62.2 Å²	62.2	90%	0.897	32%	0.32	S	S	*	.			trans	-91	105.6	171	-177.9	0	0	0	0	108.7
81	L	98.4	Very high	98.2	Very high	56 Å²	56	57.9 Å²	57.9	29%	0.293	31%	0.307	S	S	.	.			trans	-111.4	144.3	-178.1	-60.2	179.4	0	0	0	111.2	L79 V87 L88 I167 T169	L79-L81 HydrophobicContact CB-CD2 4.43Å; L79-L81 HydrophobicContact CB-CG 4.24Å; L81-V87 HydrophobicContact CD1-CG1 4.28Å; L81-L88 HydrophobicContact CD1-CD2 4.5Å; L81-I167 HydrophobicContact CD1-CD1 4.16Å; L81-I167 HydrophobicContact CD2-CD1 4.07Å; L81-T169 HydrophobicContact CD2-CG2 4.04Å
82	H	98.4	Very high	98.2	Very high	95 Å²	95	58.6 Å²	58.6	44%	0.44	31%	0.312	S	S	.	.			trans	-65.4	138.5	168.3	-172.8	-87.4	0	0	0	109.1	A84 S85 P171	H82-A84 VanDerWaalsContact ND1-CB 3.33Å; H82-A84 WeakPolarHBondContact ND1-CB 3.22Å; H82-A84 PolarHBondContact ND1-N 2.82Å; H82-A84 PolarHBondContact O-N 2.87Å; H82-S85 VanDerWaalsContact O-CB 3.27Å; H82-S85 WeakPolarHBondContact O-CB 3.42Å; H82-S85 PolarHBondContact O-N 3.12Å; H82-S85 PolarHBondContact O-OG 2.84Å; H82-P171 HydrophobicContact CB-CB 3.84Å; H82-P171 WeakPolarHBondContact ND1-CB 3.42Å
83	P	98.4	Very high	98.2	Very high	95 Å²	95	58 Å²	58	62%	0.617	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-23.8	-176.8	22.7	-34.4	0	0	0	113.4	H89	P83-H89 PolarHBondContact O-NE2 2.94Å
84	A	98.1	Very high	98.2	Very high	14 Å²	14	58 Å²	58	12%	0.116	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88	8.5	173.9	0	0	0	0	0	114.8	H82 K86 T172 V173	H82-A84 VanDerWaalsContact ND1-CB 3.33Å; H82-A84 WeakPolarHBondContact ND1-CB 3.22Å; H82-A84 PolarHBondContact ND1-N 2.82Å; H82-A84 PolarHBondContact O-N 2.87Å; A84-K86 PolarHBondContact O-N 3.35Å; A84-T172 CarbonylContact O-C 3.51Å; A84-T172 PolarHBondContact O-N 3.39Å; A84-V173 HydrophobicContact CB-CG1 4.01Å
85	S	98.3	Very high	98.2	Very high	1 Å²	1	59.3 Å²	59.3	1%	0.007	32%	0.315	C	S	.	.	B	Isolated β-bridge	trans	-59	126.2	178.2	-70.6	0	0	0	0	111.2	H82 V87 L88 H89 T169 E170	H82-S85 VanDerWaalsContact O-CB 3.27Å; H82-S85 WeakPolarHBondContact O-CB 3.42Å; H82-S85 PolarHBondContact O-N 3.12Å; H82-S85 PolarHBondContact O-OG 2.84Å; S85-V87 PolarHBondContact O-N 2.9Å; S85-L88 WeakPolarHBondContact O-CB 3.41Å; S85-L88 PolarHBondContact O-N 3.2Å; S85-H89 PolarHBondContact O-CD2 3.48Å; S85-T169 PolarHBondContact OG-O 3.06Å; S85-E170 WeakPolarHBondContact CA-O 3.49Å
86	K	97.3	Very high	98.2	Very high	3 Å²	3	56.9 Å²	56.9	1%	0.013	30%	0.299	C	S	.	.	H	α-helix	trans	-52.2	-29.1	-174.9	-74.2	-179.8	163.1	62.7	0	114.9	A84 L88 H89 Y90 C92 A168 E170 G174 S176 P178	A84-K86 PolarHBondContact O-N 3.35Å; K86-L88 PolarHBondContact O-N 2.97Å; K86-H89 PolarHBondContact O-N 2.66Å; K86-Y90 HydrophobicContact CB-CD2 4.33Å; K86-Y90 HydrophobicContact CG-CD2 4.18Å; K86-Y90 PolarHBondContact O-N 2.98Å; K86-C92 HydrophobicContact CB-CB 4.33Å; K86-A168 HydrophobicContact CB-CB 3.84Å; K86-A168 PolarHBondContact N-O 3.25Å; K86-E170 WeakPolarHBondContact CE-OE2 3.2Å; K86-E170 IonicContact NZ-OE2 2.73Å; K86-E170 PolarHBondContact NZ-OE2 3.05Å; K86-G174 WeakPolarHBondContact CE-O 3.37Å; K86-G174 PolarHBondContact NZ-O 2.79Å; K86-S176 WeakPolarHBondContact CE-O 3.26Å; K86-S176 VanDerWaalsContact CE-OG 3.25Å; K86-S176 WeakPolarHBondContact CE-OG 3.34Å; K86-S176 PolarHBondContact NZ-OG 3.41Å; K86-S176 VanDerWaalsContact NZ-OG 3.08Å; K86-P178 HydrophobicContact CD-CG 4.39Å
87	V	98.1	Very high	98.1	Very high	14 Å²	14	54 Å²	54	9%	0.085	29%	0.287	C	S	.	.	H	α-helix	trans	-57	-37.2	174.1	61.6	0	0	0	0	112.8	L81 S85 A91 Q93 I167 A168	L81-V87 HydrophobicContact CD1-CG1 4.28Å; S85-V87 PolarHBondContact O-N 2.9Å; V87-A91 PolarHBondContact O-N 3.39Å; V87-Q93 HydrophobicContact CG2-CB 3.84Å; V87-Q93 HydrophobicContact CG2-CG 4.09Å; V87-I167 HydrophobicContact CB-CB 4.01Å; V87-I167 HydrophobicContact CB-CG2 4.48Å; V87-I167 HydrophobicContact CG1-CB 4.28Å; V87-I167 HydrophobicContact CG1-CD1 4.36Å; V87-I167 HydrophobicContact CG2-CB 3.94Å; V87-I167 HydrophobicContact CG2-CG2 3.86Å; V87-A168 WeakPolarHBondContact CG1-O 3.43Å; V87-A168 PolarHBondContact N-O 2.87Å
88	L	98	Very high	98.1	Very high	104 Å²	104	50.6 Å²	50.6	55%	0.545	27%	0.271	S	S	.	.	H	α-helix	trans	-77.2	-23.3	-177	-55.9	179.3	0	0	0	112.8	L81 S85 K86	L81-L88 HydrophobicContact CD1-CD2 4.5Å; S85-L88 WeakPolarHBondContact O-CB 3.41Å; S85-L88 PolarHBondContact O-N 3.2Å; K86-L88 PolarHBondContact O-N 2.97Å
89	H	97.4	Very high	98	Very high	93 Å²	93	44.7 Å²	44.7	43%	0.431	24%	0.239	S	C	.	.	H	α-helix	trans	-107.6	-37.7	-173.4	-64.5	-84.8	0	0	0	113.4	P83 S85 K86	P83-H89 PolarHBondContact O-NE2 2.94Å; S85-H89 PolarHBondContact O-CD2 3.48Å; K86-H89 PolarHBondContact O-N 2.66Å
90	Y	96.9	Very high	98	Very high	93 Å²	93	42 Å²	42	37%	0.365	23%	0.225	S	C	.	.	H	α-helix	trans	-124.8	11.9	-170	-50.2	-51.2	0	0	0	113.4	K86 C92 V173 I175	K86-Y90 HydrophobicContact CB-CD2 4.33Å; K86-Y90 HydrophobicContact CG-CD2 4.18Å; K86-Y90 PolarHBondContact O-N 2.98Å; Y90-C92 PolarHBondContact O-N 3.02Å; Y90-V173 PolarHBondContact OH-O 2.81Å; Y90-I175 HydrophobicContact CD1-CD1 4.32Å; Y90-I175 HydrophobicContact CD1-CG1 4.13Å; Y90-I175 HydrophobicContact CD2-CG1 4.18Å; Y90-I175 HydrophobicContact CE1-CD1 4Å; Y90-I175 HydrophobicContact CE1-CG1 3.77Å; Y90-I175 HydrophobicContact CE2-CG1 3.81Å; Y90-I175 HydrophobicContact CG-CG1 4.35Å
91	A	97.6	Very high	97.9	Very high	30 Å²	30	35.5 Å²	35.5	25%	0.248	18%	0.184	C	C	.	.			trans	50.3	33.9	-179.4	0	0	0	0	0	113.3	V87 Q93	V87-A91 PolarHBondContact O-N 3.39Å; A91-Q93 PolarHBondContact O-N 3.19Å
92	C	97.6	Very high	97.7	Very high	16 Å²	16	34.3 Å²	34.3	11%	0.108	18%	0.176	C	C	.	.			trans	-74.3	78.6	176.1	-168.1	0	0	0	0	109.2	K86 Y90 A168 P178	K86-C92 HydrophobicContact CB-CB 4.33Å; Y90-C92 PolarHBondContact O-N 3.02Å; C92-A168 HydrophobicContact CB-CB 3.76Å; C92-A168 PolarHBondContact O-N 3.36Å; C92-P178 VanDerWaalsContact SG-CG 3.55Å
93	Q	98.6	Very high	97.5	Very high	63 Å²	63	30 Å²	30	29%	0.294	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	146.2	-176.4	57.2	176.8	-1.2	0	0	112	V87 A91 M166 I167 M225 G226	V87-Q93 HydrophobicContact CG2-CB 3.84Å; V87-Q93 HydrophobicContact CG2-CG 4.09Å; A91-Q93 PolarHBondContact O-N 3.19Å; Q93-M166 CarbonylContact C-O 3.57Å; Q93-M166 VanDerWaalsContact CA-O 3.25Å; Q93-M166 WeakPolarHBondContact CA-O 3.4Å; Q93-I167 HydrophobicContact CB-CG2 3.87Å; Q93-M225 WeakPolarHBondContact O-CA 3.47Å; Q93-G226 PolarHBondContact O-N 3.09Å; Q93-G226 VanDerWaalsContact O-N 3.12Å
94	I	98.8	Very high	97.1	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.005	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	158.9	172	68.9	-173.1	0	0	0	109.4	M120 A124 M129 T165 M166 K224 M225	I94-M120 HydrophobicContact CD1-CE 4.35Å; I94-M120 HydrophobicContact CD1-CG 3.91Å; I94-M120 WeakPolarHBondContact CD1-O 3.43Å; I94-M120 HydrophobicContact CG1-CE 4.32Å; I94-M120 HydrophobicContact CG1-CG 4.49Å; I94-A124 HydrophobicContact CD1-CB 3.61Å; I94-M129 HydrophobicContact CB-CE 4.05Å; I94-M129 HydrophobicContact CD1-CE 3.78Å; I94-M129 HydrophobicContact CG1-CE 3.64Å; I94-M129 HydrophobicContact CG2-CE 3.61Å; I94-T165 WeakPolarHBondContact O-CA 3.49Å; I94-T165 WeakPolarHBondContact O-CG2 3.42Å; I94-M166 HydrophobicContact CD1-CB 4.1Å; I94-M166 HydrophobicContact CG1-CB 3.84Å; I94-M166 PolarHBondContact N-O 2.64Å; I94-M166 PolarHBondContact O-N 3.29Å; I94-K224 WeakPolarHBondContact CA-O 3.36Å; I94-M225 HydrophobicContact CG2-CG 3.91Å
95	F	98.8	Very high	96.8	Very high	35 Å²	35	33.3 Å²	33.3	15%	0.154	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	165.5	173.1	66.8	-81.4	0	0	0	111.5	P164 T165 K224 Y229	F95-P164 CarbonylContact C-O 3.49Å; F95-P164 VanDerWaalsContact CA-O 3.22Å; F95-P164 WeakPolarHBondContact CA-O 3.3Å; F95-T165 HydrophobicContact CB-CG2 4.38Å; F95-K224 HydrophobicContact CD1-CG 4.37Å; F95-K224 WeakPolarHBondContact CD1-O 3.38Å; F95-K224 HydrophobicContact CD2-CD 4.33Å; F95-K224 HydrophobicContact CD2-CG 4.24Å; F95-K224 HydrophobicContact CE1-CG 4.15Å; F95-K224 HydrophobicContact CE2-CD 4.2Å; F95-K224 HydrophobicContact CE2-CG 4.05Å; F95-K224 HydrophobicContact CG-CG 4.42Å; F95-K224 HydrophobicContact CZ-CG 4.01Å; F95-K224 PolarHBondContact N-O 2.93Å; F95-K224 VanDerWaalsContact N-O 3.09Å; F95-K224 WeakPolarHBondContact O-CB 3.42Å; F95-K224 VanDerWaalsContact O-CD 3.27Å; F95-K224 WeakPolarHBondContact O-CD 3.49Å; F95-K224 WeakPolarHBondContact O-CG 3.35Å; F95-Y229 AromaticContact CE1-CD2 3.63Å; F95-Y229 HydrophobicContact CE1-CD2 3.63Å; F95-Y229 AromaticContact CE1-CE2 3.38Å; F95-Y229 HydrophobicContact CE1-CE2 3.38Å; F95-Y229 HydrophobicContact CE1-CG 4.37Å; F95-Y229 AromaticContact CE1-CZ 3.91Å; F95-Y229 HydrophobicContact CZ-CD1 4.24Å; F95-Y229 AromaticContact CZ-CD2 3.82Å; F95-Y229 HydrophobicContact CZ-CD2 3.82Å; F95-Y229 AromaticContact CZ-CE1 3.84Å; F95-Y229 HydrophobicContact CZ-CE1 3.84Å; F95-Y229 AromaticContact CZ-CE2 3.41Å; F95-Y229 HydrophobicContact CZ-CE2 3.41Å; F95-Y229 VanDerWaalsContact CZ-CE2 3.41Å; F95-Y229 HydrophobicContact CZ-CG 4.24Å; F95-Y229 AromaticContact CZ-CZ 3.41Å; F95-Y229 VanDerWaalsContact CZ-CZ 3.41Å
96	E	98.6	Very high	96.6	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.005	19%	0.188	C	C	.	.			trans	-123.5	167.6	169.9	-96.6	-57	155.9	0	0	112.5	N116 R119 M120 R163 P164	E96-N116 HydrophobicContact CG-CB 4.28Å; E96-N116 WeakPolarHBondContact CG-O 3.21Å; E96-N116 PolarHBondContact OE2-OD1 3.29Å; E96-R119 WeakPolarHBondContact OE1-CB 3.5Å; E96-R119 WeakPolarHBondContact OE1-CG 3.34Å; E96-R119 IonicContact OE1-CZ 3.98Å; E96-R119 IonicContact OE1-NE 2.73Å; E96-R119 PolarHBondContact OE1-NE 3.05Å; E96-R119 IonicContact OE1-NH2 3.25Å; E96-R119 PolarHBondContact OE1-NH2 3.43Å; E96-R119 IonicContact OE2-CZ 3.41Å; E96-R119 IonicContact OE2-NE 3.72Å; E96-R119 IonicContact OE2-NH2 3.87Å; E96-R119 PolarHBondContact OE2-NH2 3.01Å; E96-M120 HydrophobicContact CG-CB 3.77Å; E96-M120 HydrophobicContact CG-CG 4.28Å; E96-M120 HydrophobicContact CG-SD 4.49Å; E96-R163 WeakPolarHBondContact O-CD 3.4Å; E96-P164 HydrophobicContact CB-CB 4.11Å; E96-P164 HydrophobicContact CB-CG 3.96Å; E96-P164 PolarHBondContact N-O 3.47Å
97	G	97.8	Very high	96.4	Very high	1 Å²	1	41.6 Å²	41.6	1%	0.01	22%	0.215	C	C	.	.			trans	-146.7	102.9	179.6	0	0	0	0	0	111.6	Y161 T332	G97-Y161 WeakPolarHBondContact CA-OH 3.42Å; G97-T332 WeakPolarHBondContact O-CG2 3.17Å; G97-T332 PolarHBondContact O-OG1 3.48Å; G97-T332 VanDerWaalsContact O-OG1 3.04Å
98	L	98	Very high	96.3	Very high	3 Å²	3	43.8 Å²	43.8	2%	0.016	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	170.3	176.7	71.9	167	0	0	0	110.7	P113 N116 L141 I162 P164	L98-P113 HydrophobicContact CD1-CB 3.88Å; L98-N116 HydrophobicContact CB-CB 4.44Å; L98-L141 HydrophobicContact CD1-CD1 4.15Å; L98-L141 HydrophobicContact CD1-CD2 4.41Å; L98-L141 HydrophobicContact CD2-CD1 4.3Å; L98-I162 HydrophobicContact CD2-CB 3.82Å; L98-I162 HydrophobicContact CD2-CG2 3.92Å; L98-I162 HydrophobicContact CG-CB 4.06Å; L98-I162 HydrophobicContact CG-CD1 4.29Å; L98-I162 HydrophobicContact CG-CG2 4.49Å; L98-I162 PolarHBondContact N-O 3.46Å; L98-I162 PolarHBondContact O-N 3.3Å; L98-P164 HydrophobicContact CD2-CG 3.81Å
99	K	97.1	Very high	96.2	Very high	17 Å²	17	40.6 Å²	40.6	7%	0.074	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	143.5	-176.1	-74.1	174.2	169	-179.8	0	111.1	F101 S159 F160 Y161 T332 A333	K99-F101 HydrophobicContact CB-CD2 4.27Å; K99-F101 HydrophobicContact CB-CE1 4.19Å; K99-F101 HydrophobicContact CB-CE2 3.43Å; K99-F101 VanDerWaalsContact CB-CE2 3.43Å; K99-F101 HydrophobicContact CB-CZ 3.39Å; K99-F101 HydrophobicContact CD-CE1 4.15Å; K99-F101 HydrophobicContact CD-CZ 3.71Å; K99-F101 HydrophobicContact CG-CZ 4.19Å; K99-S159 WeakPolarHBondContact CD-OG 3.44Å; K99-S159 WeakPolarHBondContact CE-OG 3.39Å; K99-F160 CarbonylContact C-O 3.57Å; K99-F160 VanDerWaalsContact CA-O 3.28Å; K99-F160 WeakPolarHBondContact CA-O 3.21Å; K99-Y161 HydrophobicContact CG-CD2 3.95Å; K99-T332 HydrophobicContact CD-CG2 4.09Å; K99-T332 WeakPolarHBondContact CE-O 3.34Å; K99-T332 HydrophobicContact CG-CG2 4Å; K99-T332 PolarHBondContact NZ-O 2.83Å; K99-A333 PolarHBondContact NZ-O 2.86Å
100	A	97.6	Very high	96.2	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	144.2	159.7	0	0	0	0	0	110.2	I108 R109 L110 V145 I152 S159 F160 I162	A100-I108 HydrophobicContact CB-CG2 4.23Å; A100-R109 CarbonylContact C-O 3.39Å; A100-R109 VanDerWaalsContact CA-O 3.23Å; A100-R109 WeakPolarHBondContact CA-O 3.29Å; A100-L110 HydrophobicContact CB-CD2 3.72Å; A100-V145 HydrophobicContact CB-CG1 3.88Å; A100-I152 HydrophobicContact CB-CD1 3.9Å; A100-S159 WeakPolarHBondContact O-CB 3.32Å; A100-F160 HydrophobicContact CB-CB 4.23Å; A100-F160 PolarHBondContact N-O 3.27Å; A100-F160 PolarHBondContact O-N 2.96Å; A100-I162 HydrophobicContact CB-CD1 4.06Å
101	F	95.5	Very high	96.2	Very high	10 Å²	10	35 Å²	35	4%	0.044	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	140.8	-176.7	-57.2	-92.6	0	0	0	109.1	K99 I108 R109 F111 Q375 V376	K99-F101 HydrophobicContact CB-CD2 4.27Å; K99-F101 HydrophobicContact CB-CE1 4.19Å; K99-F101 HydrophobicContact CB-CE2 3.43Å; K99-F101 VanDerWaalsContact CB-CE2 3.43Å; K99-F101 HydrophobicContact CB-CZ 3.39Å; K99-F101 HydrophobicContact CD-CE1 4.15Å; K99-F101 HydrophobicContact CD-CZ 3.71Å; K99-F101 HydrophobicContact CG-CZ 4.19Å; F101-I108 CarbonylContact O-C 3.6Å; F101-I108 WeakPolarHBondContact O-CA 3.23Å; F101-R109 PolarHBondContact N-O 3.07Å; F101-R109 PolarHBondContact O-N 3.33Å; F101-F111 HydrophobicContact CD2-CB 4.47Å; F101-F111 HydrophobicContact CE2-CB 3.84Å; F101-Q375 WeakPolarHBondContact CB-O 2.94Å; F101-Q375 HydrophobicContact CD1-CB 3.99Å; F101-Q375 HydrophobicContact CD2-CB 3.93Å; F101-Q375 HydrophobicContact CD2-CG 4.03Å; F101-Q375 HydrophobicContact CE1-CB 4.1Å; F101-Q375 HydrophobicContact CE1-CG 4.21Å; F101-Q375 HydrophobicContact CE2-CB 4.06Å; F101-Q375 HydrophobicContact CE2-CG 3.68Å; F101-Q375 HydrophobicContact CG-CB 3.89Å; F101-Q375 HydrophobicContact CG-CG 4.44Å; F101-Q375 HydrophobicContact CZ-CB 4.13Å; F101-Q375 HydrophobicContact CZ-CG 3.77Å; F101-V376 HydrophobicContact CB-CG1 4.37Å
102	R	94.9	Very high	96.2	Very high	32 Å²	32	36.8 Å²	36.8	12%	0.121	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	119.4	165	-170.1	178.1	-55.4	-85.4	-1.1	107.8	K149 I152 P153 E154	R102-K149 PolarHBondContact NH2-O 2.93Å; R102-I152 HydrophobicContact CB-CG2 4.17Å; R102-I152 PolarHBondContact NH2-O 3.49Å; R102-P153 WeakPolarHBondContact CB-O 3.25Å; R102-P153 PolarHBondContact NE-O 3.42Å; R102-E154 WeakPolarHBondContact CD-OE2 3.49Å; R102-E154 IonicContact CZ-OE1 3.97Å; R102-E154 IonicContact CZ-OE2 3.65Å; R102-E154 VanDerWaalsContact NE-CD 3.28Å; R102-E154 IonicContact NE-OE1 3.23Å; R102-E154 PolarHBondContact NE-OE1 3.05Å; R102-E154 IonicContact NE-OE2 3.35Å; R102-E154 PolarHBondContact NE-OE2 3.44Å; R102-E154 IonicContact NH1-OE1 3.22Å; R102-E154 IonicContact NH2-OE1 2.66Å; R102-E154 PolarHBondContact NH2-OE1 2.98Å
103	G	93.3	Very high	96.3	Very high	5 Å²	5	37 Å²	37	5%	0.052	19%	0.186	C	C	.	.			trans	-74.6	165.9	175.5	0	0	0	0	0	111.8	D105 G106 K107 V376	G103-D105 PolarHBondContact O-N 2.93Å; G103-D105 VanDerWaalsContact O-N 3.09Å; G103-G106 PolarHBondContact O-N 2.74Å; G103-K107 PolarHBondContact N-O 3.33Å; G103-V376 CarbonylContact C-O 3.44Å; G103-V376 WeakPolarHBondContact CA-O 2.99Å
104	I	90.6	Very high	96.3	Very high	119 Å²	119	40.3 Å²	40.3	61%	0.61	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-18.5	175.7	63.5	176.4	0	0	0	113	G106 V376	I104-G106 VanDerWaalsContact C-N 3.34Å; I104-V376 PolarHBondContact N-O 2.79Å
105	D	92.6	Very high	96.2	Very high	58 Å²	58	41.7 Å²	41.7	31%	0.31	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.3	8.8	174.6	70.7	-17.8	0	0	0	113.5	G103 K107 R109	G103-D105 PolarHBondContact O-N 2.93Å; G103-D105 VanDerWaalsContact O-N 3.09Å; D105-K107 PolarHBondContact O-N 3.36Å; D105-K107 WeakPolarHBondContact OD1-CB 3.3Å; D105-K107 PolarHBondContact OD1-N 3.04Å; D105-K107 VanDerWaalsContact OD1-N 3.09Å; D105-K107 VanDerWaalsContact OD2-CD 3.32Å; D105-K107 WeakPolarHBondContact OD2-CD 3.4Å; D105-K107 IonicContact OD2-NZ 2.73Å; D105-R109 VanDerWaalsContact CG-NH2 3.25Å; D105-R109 IonicContact OD1-CZ 3.21Å; D105-R109 IonicContact OD1-NH1 3.9Å; D105-R109 PolarHBondContact OD1-NH1 3.36Å; D105-R109 IonicContact OD1-NH2 2.64Å; D105-R109 PolarHBondContact OD1-NH2 3.05Å; D105-R109 VanDerWaalsContact OD1-NH2 3.11Å; D105-R109 IonicContact OD2-CZ 3.24Å; D105-R109 IonicContact OD2-NH1 2.7Å; D105-R109 IonicContact OD2-NH2 3.93Å; D105-R109 PolarHBondContact OD2-NH2 3.21Å
106	G	92.6	Very high	96.2	Very high	44 Å²	44	40.2 Å²	40.2	45%	0.454	20%	0.197	S	C	.	.	S	Bend	trans	75.2	-4.6	-178.4	0	0	0	0	0	115	G103 I104	G103-G106 PolarHBondContact O-N 2.74Å; I104-G106 VanDerWaalsContact C-N 3.34Å
107	K	94.7	Very high	96.2	Very high	134 Å²	134	40.5 Å²	40.5	58%	0.583	20%	0.198	S	C	*	.			trans	-80.2	145	178.4	-62	-178	-170.9	164.9	0	111.3	G103 D105 R109	G103-K107 PolarHBondContact N-O 3.33Å; D105-K107 PolarHBondContact O-N 3.36Å; D105-K107 WeakPolarHBondContact OD1-CB 3.3Å; D105-K107 PolarHBondContact OD1-N 3.04Å; D105-K107 VanDerWaalsContact OD1-N 3.09Å; D105-K107 VanDerWaalsContact OD2-CD 3.32Å; D105-K107 WeakPolarHBondContact OD2-CD 3.4Å; D105-K107 IonicContact OD2-NZ 2.73Å; K107-R109 PolarHBondContact O-NH1 2.81Å
108	I	95.9	Very high	96.3	Very high	60 Å²	60	44.7 Å²	44.7	31%	0.308	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	134.1	177.9	-66.2	159.8	0	0	0	109.9	A100 F101 V145 K149 I152	A100-I108 HydrophobicContact CB-CG2 4.23Å; F101-I108 CarbonylContact O-C 3.6Å; F101-I108 WeakPolarHBondContact O-CA 3.23Å; I108-V145 HydrophobicContact CG2-CG1 3.99Å; I108-K149 HydrophobicContact CD1-CB 3.41Å; I108-K149 VanDerWaalsContact CD1-CB 3.41Å; I108-I152 HydrophobicContact CB-CD1 4.27Å; I108-I152 HydrophobicContact CD1-CD1 3.7Å; I108-I152 HydrophobicContact CG1-CD1 3.83Å; I108-I152 HydrophobicContact CG2-CD1 3.41Å; I108-I152 VanDerWaalsContact CG2-CD1 3.41Å
109	R	96	Very high	96.3	Very high	38 Å²	38	44.9 Å²	44.9	14%	0.143	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	144.5	-177.5	-65.2	172.8	178.5	72.2	1.4	111.1	A100 F101 D105 K107 S377	A100-R109 CarbonylContact C-O 3.39Å; A100-R109 VanDerWaalsContact CA-O 3.23Å; A100-R109 WeakPolarHBondContact CA-O 3.29Å; F101-R109 PolarHBondContact N-O 3.07Å; F101-R109 PolarHBondContact O-N 3.33Å; D105-R109 VanDerWaalsContact CG-NH2 3.25Å; D105-R109 IonicContact OD1-CZ 3.21Å; D105-R109 IonicContact OD1-NH1 3.9Å; D105-R109 PolarHBondContact OD1-NH1 3.36Å; D105-R109 IonicContact OD1-NH2 2.64Å; D105-R109 PolarHBondContact OD1-NH2 3.05Å; D105-R109 VanDerWaalsContact OD1-NH2 3.11Å; D105-R109 IonicContact OD2-CZ 3.24Å; D105-R109 IonicContact OD2-NH1 2.7Å; D105-R109 IonicContact OD2-NH2 3.93Å; D105-R109 PolarHBondContact OD2-NH2 3.21Å; K107-R109 PolarHBondContact O-NH1 2.81Å; R109-S377 PolarHBondContact NE-O 2.82Å; R109-S377 VanDerWaalsContact NE-O 3.1Å; R109-S377 PolarHBondContact NH2-O 3.24Å
110	L	97.5	Very high	96.4	Very high	40 Å²	40	44.1 Å²	44.1	21%	0.209	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	135.5	167.9	-69.7	172	0	0	0	109.4	A100 R112 P113 L141 V142 V145 I162	A100-L110 HydrophobicContact CB-CD2 3.72Å; L110-R112 PolarHBondContact O-N 3.48Å; L110-P113 HydrophobicContact CB-CB 4.09Å; L110-P113 HydrophobicContact CB-CG 3.81Å; L110-P113 HydrophobicContact CD1-CB 4.18Å; L110-P113 HydrophobicContact CD1-CG 4.22Å; L110-L141 HydrophobicContact CD1-CD2 3.66Å; L110-L141 HydrophobicContact CD2-CD2 4.34Å; L110-V142 HydrophobicContact CD1-CG2 3.89Å; L110-V145 HydrophobicContact CD2-CG2 4.34Å; L110-I162 HydrophobicContact CD2-CD1 3.54Å
111	F	96.7	Very high	96.4	Very high	27 Å²	27	45.6 Å²	45.6	12%	0.118	22%	0.222	C	C	.	.	S	Bend	trans	-89.4	109	179.3	-171.6	-104.6	0	0	0	111.7	F101 V291 T295 I371 I374 Q375	F101-F111 HydrophobicContact CD2-CB 4.47Å; F101-F111 HydrophobicContact CE2-CB 3.84Å; F111-V291 HydrophobicContact CE1-CG1 4.44Å; F111-T295 HydrophobicContact CE1-CG2 4.44Å; F111-T295 HydrophobicContact CZ-CG2 3.77Å; F111-I371 HydrophobicContact CE1-CG2 4.48Å; F111-I371 HydrophobicContact CZ-CG2 4.17Å; F111-I374 HydrophobicContact CD2-CG2 4.27Å; F111-I374 HydrophobicContact CE2-CB 4.48Å; F111-I374 HydrophobicContact CE2-CG2 3.85Å; F111-Q375 HydrophobicContact CB-CG 4.12Å; F111-Q375 HydrophobicContact CD2-CG 3.63Å; F111-Q375 HydrophobicContact CE2-CG 4.27Å; F111-Q375 HydrophobicContact CG-CG 3.93Å
112	R	97.5	Very high	96.5	Very high	68 Å²	68	50.6 Å²	50.6	26%	0.257	24%	0.241	S	C	.	.	S	Bend	trans	44.9	50.4	178.1	-53.7	-173.4	75.9	171	7.5	113.9	L110 R114 L115 N116 V291 T295 E298	L110-R112 PolarHBondContact O-N 3.48Å; R112-R114 VanDerWaalsContact C-N 3.28Å; R112-R114 PolarHBondContact O-N 2.89Å; R112-L115 HydrophobicContact CB-CD1 4.22Å; R112-L115 VanDerWaalsContact CZ-CD1 3.43Å; R112-L115 VanDerWaalsContact NE-CD1 3.32Å; R112-L115 PolarHBondContact O-N 2.83Å; R112-N116 PolarHBondContact O-ND2 2.93Å; R112-V291 HydrophobicContact CB-CG1 3.89Å; R112-T295 WeakPolarHBondContact CD-OG1 3.26Å; R112-T295 PolarHBondContact NH1-OG1 3.06Å; R112-E298 IonicContact CZ-OE1 2.69Å; R112-E298 IonicContact CZ-OE2 3.66Å; R112-E298 IonicContact NH1-OE1 3.74Å; R112-E298 IonicContact NH1-OE2 3.74Å; R112-E298 PolarHBondContact NH1-OE2 3.09Å; R112-E298 VanDerWaalsContact NH2-CD 3.3Å; R112-E298 IonicContact NH2-OE1 3.56Å; R112-E298 PolarHBondContact NH2-OE1 2.81Å; R112-E298 IonicContact NH2-OE2 3.39Å; R112-E298 PolarHBondContact NH2-OE2 3.06Å
113	P	98.4	Very high	96.7	Very high	20 Å²	20	49.1 Å²	49.1	13%	0.13	24%	0.236	C	C	.	.	H	α-helix	trans	-63	-33.2	-170.9	27.5	-36.6	0	0	0	113	L98 L110 L115 N116 V117 L138	L98-P113 HydrophobicContact CD1-CB 3.88Å; L110-P113 HydrophobicContact CB-CB 4.09Å; L110-P113 HydrophobicContact CB-CG 3.81Å; L110-P113 HydrophobicContact CD1-CB 4.18Å; L110-P113 HydrophobicContact CD1-CG 4.22Å; P113-L115 VanDerWaalsContact C-N 3.27Å; P113-L115 PolarHBondContact O-N 3.36Å; P113-N116 WeakPolarHBondContact O-CB 3.33Å; P113-N116 PolarHBondContact O-N 3.23Å; P113-V117 PolarHBondContact O-N 2.85Å; P113-L138 HydrophobicContact CB-CD1 3.71Å; P113-L138 HydrophobicContact CG-CD1 4Å
114	R	98.4	Very high	96.9	Very high	134 Å²	134	49 Å²	49	51%	0.506	23%	0.234	S	C	.	.	H	α-helix	trans	-55.8	-37.7	177.4	-73	-176.2	172.2	92.5	8.4	113.4	R112 N116 V117 Q118 E135 L138	R112-R114 VanDerWaalsContact C-N 3.28Å; R112-R114 PolarHBondContact O-N 2.89Å; R114-N116 VanDerWaalsContact C-N 3.34Å; R114-N116 PolarHBondContact O-N 3.25Å; R114-V117 PolarHBondContact O-N 2.9Å; R114-Q118 VanDerWaalsContact O-CG 3.3Å; R114-Q118 WeakPolarHBondContact O-CG 3.46Å; R114-Q118 PolarHBondContact O-N 3.28Å; R114-E135 IonicContact CZ-OE1 3.38Å; R114-E135 IonicContact CZ-OE2 3.81Å; R114-E135 IonicContact NE-OE1 2.98Å; R114-E135 PolarHBondContact NE-OE1 3.08Å; R114-E135 IonicContact NE-OE2 3.81Å; R114-E135 PolarHBondContact NE-OE2 2.94Å; R114-E135 IonicContact NH2-OE1 2.75Å; R114-E135 IonicContact NH2-OE2 3.11Å; R114-E135 PolarHBondContact NH2-OE2 2.81Å; R114-L138 HydrophobicContact CG-CD2 3.6Å
115	L	98.4	Very high	97.2	Very high	29 Å²	29	50.4 Å²	50.4	15%	0.152	24%	0.238	C	C	.	.	H	α-helix	trans	-67.7	-35.7	178	-66.4	-177.9	0	0	0	112.2	R112 P113 R119 V291	R112-L115 HydrophobicContact CB-CD1 4.22Å; R112-L115 VanDerWaalsContact CZ-CD1 3.43Å; R112-L115 VanDerWaalsContact NE-CD1 3.32Å; R112-L115 PolarHBondContact O-N 2.83Å; P113-L115 VanDerWaalsContact C-N 3.27Å; P113-L115 PolarHBondContact O-N 3.36Å; L115-R119 WeakPolarHBondContact O-CB 3.48Å; L115-R119 PolarHBondContact O-N 3.15Å; L115-V291 HydrophobicContact CB-CG1 4.4Å; L115-V291 HydrophobicContact CB-CG2 3.74Å; L115-V291 HydrophobicContact CD1-CG1 4.08Å
116	N	98.7	Very high	97.4	Very high	5 Å²	5	53.4 Å²	53.4	3%	0.027	25%	0.245	C	C	.	.	H	α-helix	trans	-67.5	-44.8	174.8	-62.9	-77.2	0	0	0	110.4	E96 L98 R112 P113 R114 Q118 R119 M120 V291	E96-N116 HydrophobicContact CG-CB 4.28Å; E96-N116 WeakPolarHBondContact CG-O 3.21Å; E96-N116 PolarHBondContact OE2-OD1 3.29Å; L98-N116 HydrophobicContact CB-CB 4.44Å; R112-N116 PolarHBondContact O-ND2 2.93Å; P113-N116 WeakPolarHBondContact O-CB 3.33Å; P113-N116 PolarHBondContact O-N 3.23Å; R114-N116 VanDerWaalsContact C-N 3.34Å; R114-N116 PolarHBondContact O-N 3.25Å; N116-Q118 PolarHBondContact O-N 2.84Å; N116-R119 PolarHBondContact O-N 3.41Å; N116-R119 VanDerWaalsContact O-N 3.16Å; N116-R119 PolarHBondContact OD1-NH2 3.17Å; N116-M120 PolarHBondContact O-N 3.2Å; N116-V291 WeakPolarHBondContact OD1-CG2 3.29Å
117	V	98.6	Very high	97.5	Very high	6 Å²	6	52.3 Å²	52.3	4%	0.036	23%	0.23	C	C	.	.	H	α-helix	trans	-59.6	-45.6	176.4	178.5	0	0	0	0	111.2	P113 R114 R119 M120 L121 F132 A134 F137 L138	P113-V117 PolarHBondContact O-N 2.85Å; R114-V117 PolarHBondContact O-N 2.9Å; V117-R119 VanDerWaalsContact C-N 3.32Å; V117-R119 PolarHBondContact O-N 3.47Å; V117-M120 WeakPolarHBondContact O-CB 3.41Å; V117-M120 PolarHBondContact O-N 2.96Å; V117-L121 WeakPolarHBondContact O-CG 3.35Å; V117-L121 PolarHBondContact O-N 3.22Å; V117-F132 HydrophobicContact CG1-CE2 4.25Å; V117-A134 HydrophobicContact CG1-CB 3.72Å; V117-F137 HydrophobicContact CG1-CD1 4.05Å; V117-F137 HydrophobicContact CG2-CD1 3.94Å; V117-F137 HydrophobicContact CG2-CE1 4.19Å; V117-L138 HydrophobicContact CG2-CB 4.47Å; V117-L138 HydrophobicContact CG2-CD1 4.45Å
118	Q	98.4	Very high	97.6	Very high	89 Å²	89	49 Å²	49	42%	0.416	22%	0.224	S	C	.	.	H	α-helix	trans	-61.1	-39.3	176.1	-72	174.9	4.5	0	0	112.8	R114 N116 L121 R122	R114-Q118 VanDerWaalsContact O-CG 3.3Å; R114-Q118 WeakPolarHBondContact O-CG 3.46Å; R114-Q118 PolarHBondContact O-N 3.28Å; N116-Q118 PolarHBondContact O-N 2.84Å; Q118-L121 PolarHBondContact O-N 2.9Å; Q118-R122 WeakPolarHBondContact O-CG 3.4Å; Q118-R122 PolarHBondContact O-N 3.35Å; Q118-R122 VanDerWaalsContact O-N 3.08Å
119	R	98.4	Very high	97.6	Very high	8 Å²	8	46.7 Å²	46.7	3%	0.03	21%	0.212	C	C	.	.	H	α-helix	trans	-69.9	-33.8	176.4	-173.1	172.3	65	-164.7	-2.9	112	E96 L115 N116 V117 R122 S123 P289	E96-R119 WeakPolarHBondContact OE1-CB 3.5Å; E96-R119 WeakPolarHBondContact OE1-CG 3.34Å; E96-R119 IonicContact OE1-CZ 3.98Å; E96-R119 IonicContact OE1-NE 2.73Å; E96-R119 PolarHBondContact OE1-NE 3.05Å; E96-R119 IonicContact OE1-NH2 3.25Å; E96-R119 PolarHBondContact OE1-NH2 3.43Å; E96-R119 IonicContact OE2-CZ 3.41Å; E96-R119 IonicContact OE2-NE 3.72Å; E96-R119 IonicContact OE2-NH2 3.87Å; E96-R119 PolarHBondContact OE2-NH2 3.01Å; L115-R119 WeakPolarHBondContact O-CB 3.48Å; L115-R119 PolarHBondContact O-N 3.15Å; N116-R119 PolarHBondContact O-N 3.41Å; N116-R119 VanDerWaalsContact O-N 3.16Å; N116-R119 PolarHBondContact OD1-NH2 3.17Å; V117-R119 VanDerWaalsContact C-N 3.32Å; V117-R119 PolarHBondContact O-N 3.47Å; R119-R122 PolarHBondContact O-N 2.8Å; R119-S123 WeakPolarHBondContact O-CB 3.47Å; R119-S123 PolarHBondContact O-N 2.89Å; R119-S123 PolarHBondContact O-OG 3.3Å; R119-P289 WeakPolarHBondContact CD-O 3.18Å; R119-P289 PolarHBondContact NH1-O 3.2Å
120	M	98.6	Very high	97.7	Very high	1 Å²	1	45.4 Å²	45.4	1%	0.005	21%	0.208	C	C	.	.	H	α-helix	trans	-61	-46.7	171.1	-165.5	171.2	-171.7	0	0	111.1	I94 E96 N116 V117 R122 S123 A124 F132 F137 P164 M166 L183	I94-M120 HydrophobicContact CD1-CE 4.35Å; I94-M120 HydrophobicContact CD1-CG 3.91Å; I94-M120 WeakPolarHBondContact CD1-O 3.43Å; I94-M120 HydrophobicContact CG1-CE 4.32Å; I94-M120 HydrophobicContact CG1-CG 4.49Å; E96-M120 HydrophobicContact CG-CB 3.77Å; E96-M120 HydrophobicContact CG-CG 4.28Å; E96-M120 HydrophobicContact CG-SD 4.49Å; N116-M120 PolarHBondContact O-N 3.2Å; V117-M120 WeakPolarHBondContact O-CB 3.41Å; V117-M120 PolarHBondContact O-N 2.96Å; M120-R122 PolarHBondContact O-N 3.35Å; M120-S123 CarbonylContact O-C 3.58Å; M120-S123 WeakPolarHBondContact O-CB 3.42Å; M120-S123 PolarHBondContact O-N 3.37Å; M120-S123 VanDerWaalsContact O-N 3.1Å; M120-A124 PolarHBondContact O-N 3.29Å; M120-F132 HydrophobicContact CG-CZ 4.22Å; M120-F132 HydrophobicContact SD-CZ 4.04Å; M120-F137 HydrophobicContact SD-CE1 4.22Å; M120-F137 HydrophobicContact SD-CZ 4.37Å; M120-P164 HydrophobicContact CE-CB 3.99Å; M120-P164 HydrophobicContact SD-CB 3.81Å; M120-M166 HydrophobicContact CE-CB 4.04Å; M120-L183 HydrophobicContact CE-CD1 3.26Å; M120-L183 HydrophobicContact SD-CD1 4.31Å
121	L	98.4	Very high	97.6	Very high	30 Å²	30	48.7 Å²	48.7	16%	0.157	23%	0.226	C	C	.	.	H	α-helix	trans	-60.3	-44.5	177.2	-69.8	-177.3	0	0	0	112.6	V117 Q118 S123 A124 Q125 N131 F132 A134	V117-L121 WeakPolarHBondContact O-CG 3.35Å; V117-L121 PolarHBondContact O-N 3.22Å; Q118-L121 PolarHBondContact O-N 2.9Å; L121-S123 VanDerWaalsContact C-N 3.28Å; L121-S123 PolarHBondContact O-N 3.35Å; L121-A124 PolarHBondContact O-N 3.42Å; L121-Q125 PolarHBondContact O-N 3.36Å; L121-N131 WeakPolarHBondContact CD2-OD1 3.4Å; L121-F132 HydrophobicContact CD2-CD1 3.83Å; L121-F132 HydrophobicContact CD2-CD2 3.77Å; L121-F132 HydrophobicContact CD2-CE1 3.59Å; L121-F132 HydrophobicContact CD2-CE2 3.56Å; L121-F132 HydrophobicContact CD2-CG 3.92Å; L121-F132 HydrophobicContact CD2-CZ 3.47Å; L121-F132 VanDerWaalsContact CD2-CZ 3.47Å; L121-F132 HydrophobicContact CG-CE2 4.23Å; L121-F132 HydrophobicContact CG-CZ 4.26Å; L121-A134 HydrophobicContact CD1-CB 3.95Å
122	R	98	Very high	97.6	Very high	116 Å²	116	48 Å²	48	44%	0.438	22%	0.223	S	C	.	.	H	α-helix	trans	-61.1	-38.6	173.6	-71.1	-172.6	-65.9	-95	2.7	112.2	Q118 R119 M120 Q125 R126	Q118-R122 WeakPolarHBondContact O-CG 3.4Å; Q118-R122 PolarHBondContact O-N 3.35Å; Q118-R122 VanDerWaalsContact O-N 3.08Å; R119-R122 PolarHBondContact O-N 2.8Å; M120-R122 PolarHBondContact O-N 3.35Å; R122-Q125 PolarHBondContact O-N 2.9Å; R122-R126 PolarHBondContact O-N 2.84Å; R122-R126 VanDerWaalsContact O-N 3.16Å
123	S	98.4	Very high	97.6	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.007	23%	0.234	C	C	.	.	H	α-helix	trans	-68.6	-40.5	177.7	-55.3	0	0	0	0	111.4	R119 M120 L121 Q125 R126 K224	R119-S123 WeakPolarHBondContact O-CB 3.47Å; R119-S123 PolarHBondContact O-N 2.89Å; R119-S123 PolarHBondContact O-OG 3.3Å; M120-S123 CarbonylContact O-C 3.58Å; M120-S123 WeakPolarHBondContact O-CB 3.42Å; M120-S123 PolarHBondContact O-N 3.37Å; M120-S123 VanDerWaalsContact O-N 3.1Å; L121-S123 VanDerWaalsContact C-N 3.28Å; L121-S123 PolarHBondContact O-N 3.35Å; S123-Q125 VanDerWaalsContact C-N 3.34Å; S123-Q125 PolarHBondContact O-N 3.08Å; S123-R126 WeakPolarHBondContact O-CB 3.17Å; S123-R126 PolarHBondContact O-N 3.43Å; S123-K224 PolarHBondContact OG-N 3.48Å
124	A	98	Very high	97.6	Very high	1 Å²	1	49.5 Å²	49.5	1%	0.008	24%	0.239	C	C	.	.	H	α-helix	trans	-60.9	-44.2	175.1	0	0	0	0	0	111.4	I94 M120 L121 R126 C127 S128 M129	I94-A124 HydrophobicContact CD1-CB 3.61Å; M120-A124 PolarHBondContact O-N 3.29Å; L121-A124 PolarHBondContact O-N 3.42Å; A124-R126 VanDerWaalsContact C-N 3.27Å; A124-R126 PolarHBondContact O-N 3.14Å; A124-C127 CarbonylContact O-C 3.45Å; A124-C127 PolarHBondContact O-N 2.79Å; A124-S128 PolarHBondContact O-N 3.48Å; A124-M129 HydrophobicContact CB-CB 4.16Å; A124-M129 PolarHBondContact O-N 3.3Å
125	Q	97.4	Very high	97.6	Very high	149 Å²	149	46.7 Å²	46.7	70%	0.696	23%	0.232	S	C	*	.	H	α-helix	trans	-58.3	-39.8	175.5	-174.2	-178.9	4.5	0	0	112	L121 R122 S123 C127 S128	L121-Q125 PolarHBondContact O-N 3.36Å; R122-Q125 PolarHBondContact O-N 2.9Å; S123-Q125 VanDerWaalsContact C-N 3.34Å; S123-Q125 PolarHBondContact O-N 3.08Å; Q125-C127 PolarHBondContact O-N 3.39Å; Q125-S128 PolarHBondContact O-N 3.23Å; Q125-S128 VanDerWaalsContact O-N 3.16Å
126	R	96.9	Very high	97.6	Very high	122 Å²	122	47.7 Å²	47.7	46%	0.46	24%	0.235	S	C	.	.	H	α-helix	trans	-61.6	-28.1	-177.1	-175.2	61.2	-170.5	-168	7.1	113.6	R122 S123 A124 G218 G219 A220 A223 M225	R122-R126 PolarHBondContact O-N 2.84Å; R122-R126 VanDerWaalsContact O-N 3.16Å; S123-R126 WeakPolarHBondContact O-CB 3.17Å; S123-R126 PolarHBondContact O-N 3.43Å; A124-R126 VanDerWaalsContact C-N 3.27Å; A124-R126 PolarHBondContact O-N 3.14Å; R126-G218 PolarHBondContact NH2-O 2.68Å; R126-G219 VanDerWaalsContact NH2-C 3.31Å; R126-G219 PolarHBondContact NH2-O 2.98Å; R126-A220 HydrophobicContact CG-CB 4.15Å; R126-A223 HydrophobicContact CB-CB 4.1Å; R126-A223 HydrophobicContact CG-CB 4.06Å; R126-M225 HydrophobicContact CB-SD 4.32Å; R126-M225 HydrophobicContact CG-SD 3.87Å
127	C	94	Very high	97.6	Very high	20 Å²	20	47.6 Å²	47.6	14%	0.135	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.8	24.6	177.6	60.1	0	0	0	0	113.2	A124 Q125 M129 M225	A124-C127 CarbonylContact O-C 3.45Å; A124-C127 PolarHBondContact O-N 2.79Å; Q125-C127 PolarHBondContact O-N 3.39Å; C127-M129 PolarHBondContact O-N 2.95Å; C127-M129 VanDerWaalsContact O-N 3.07Å; C127-M129 WeakPolarHBondContact SG-CE 3.34Å; C127-M225 HydrophobicContact CB-CE 3.55Å; C127-M225 HydrophobicContact CB-SD 4.26Å
128	S	96.6	Very high	97.6	Very high	66 Å²	66	47.6 Å²	47.6	46%	0.462	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.8	31.3	176.7	-54.7	0	0	0	0	114.2	A124 Q125	A124-S128 PolarHBondContact O-N 3.48Å; Q125-S128 PolarHBondContact O-N 3.23Å; Q125-S128 VanDerWaalsContact O-N 3.16Å
129	M	96.8	Very high	97.6	Very high	11 Å²	11	46.5 Å²	46.5	5%	0.054	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-80.6	157.7	173.5	-83	-158.7	-67.8	0	0	110.9	I94 A124 C127 N131 M166 P178	I94-M129 HydrophobicContact CB-CE 4.05Å; I94-M129 HydrophobicContact CD1-CE 3.78Å; I94-M129 HydrophobicContact CG1-CE 3.64Å; I94-M129 HydrophobicContact CG2-CE 3.61Å; A124-M129 HydrophobicContact CB-CB 4.16Å; A124-M129 PolarHBondContact O-N 3.3Å; C127-M129 PolarHBondContact O-N 2.95Å; C127-M129 VanDerWaalsContact O-N 3.07Å; C127-M129 WeakPolarHBondContact SG-CE 3.34Å; M129-N131 PolarHBondContact O-N 3.37Å; M129-M166 HydrophobicContact CB-SD 3.86Å; M129-M166 HydrophobicContact CE-CB 4.16Å; M129-M166 HydrophobicContact CE-CG 4.19Å; M129-M166 HydrophobicContact CE-SD 4.2Å; M129-M166 HydrophobicContact CG-SD 4.41Å; M129-M166 HydrophobicContact SD-CB 4.34Å; M129-M166 HydrophobicContact SD-CG 3.77Å; M129-M166 HydrophobicContact SD-SD 3.82Å; M129-P178 HydrophobicContact CG-CG 4.37Å
130	P	97.1	Very high	97.7	Very high	11 Å²	11	46.1 Å²	46.1	7%	0.071	23%	0.23	C	C	.	.	P	Polyproline II helix	trans	-59.8	139.1	-178	26.2	-37.8	0	0	0	112.7	W62 W68 M166 S181	W62-P130 HydrophobicContact CB-CG 4.1Å; W62-P130 HydrophobicContact CD2-CB 3.48Å; W62-P130 VanDerWaalsContact CD2-CB 3.48Å; W62-P130 HydrophobicContact CD2-CG 3.51Å; W62-P130 VanDerWaalsContact CE2-CB 3.43Å; W62-P130 HydrophobicContact CE3-CB 3.99Å; W62-P130 HydrophobicContact CE3-CG 3.65Å; W62-P130 HydrophobicContact CG-CB 3.71Å; W62-P130 HydrophobicContact CG-CG 3.68Å; W62-P130 HydrophobicContact CH2-CB 4.36Å; W62-P130 HydrophobicContact CZ2-CB 3.92Å; W62-P130 HydrophobicContact CZ3-CB 4.39Å; W62-P130 HydrophobicContact CZ3-CG 4.24Å; W68-P130 HydrophobicContact CH2-CB 4.42Å; W68-P130 HydrophobicContact CH2-CG 3.85Å; W68-P130 HydrophobicContact CZ2-CB 3.71Å; W68-P130 HydrophobicContact CZ2-CG 3.63Å; P130-M166 HydrophobicContact CG-SD 4.09Å; P130-S181 VanDerWaalsContact CD-OG 3.3Å; P130-S181 WeakPolarHBondContact CD-OG 3.24Å
131	N	95.7	Very high	97.7	Very high	108 Å²	108	46.1 Å²	46.1	58%	0.578	23%	0.23	S	C	*	.	P	Polyproline II helix	trans	-84.7	159	174.1	-157.8	-17.7	0	0	0	110.4	W68 L121 M129	W68-N131 PolarHBondContact NE1-O 2.86Å; L121-N131 WeakPolarHBondContact CD2-OD1 3.4Å; M129-N131 PolarHBondContact O-N 3.37Å
132	F	97.2	Very high	97.7	Very high	14 Å²	14	47.3 Å²	47.3	6%	0.061	24%	0.239	C	C	.	.			trans	-145	161.5	178.2	53.4	-94.1	0	0	0	110.8	L23 W68 V117 M120 L121 A134 F137 M166 L183	L23-F132 HydrophobicContact CB-CB 4.47Å; L23-F132 HydrophobicContact CD1-CB 4.29Å; W68-F132 HydrophobicContact CH2-CD1 4.5Å; W68-F132 HydrophobicContact CZ2-CB 4.17Å; W68-F132 AromaticContact CZ2-CD1 3.94Å; W68-F132 HydrophobicContact CZ2-CD1 3.94Å; V117-F132 HydrophobicContact CG1-CE2 4.25Å; M120-F132 HydrophobicContact CG-CZ 4.22Å; M120-F132 HydrophobicContact SD-CZ 4.04Å; L121-F132 HydrophobicContact CD2-CD1 3.83Å; L121-F132 HydrophobicContact CD2-CD2 3.77Å; L121-F132 HydrophobicContact CD2-CE1 3.59Å; L121-F132 HydrophobicContact CD2-CE2 3.56Å; L121-F132 HydrophobicContact CD2-CG 3.92Å; L121-F132 HydrophobicContact CD2-CZ 3.47Å; L121-F132 VanDerWaalsContact CD2-CZ 3.47Å; L121-F132 HydrophobicContact CG-CE2 4.23Å; L121-F132 HydrophobicContact CG-CZ 4.26Å; F132-A134 PolarHBondContact O-N 2.8Å; F132-F137 HydrophobicContact CD2-CB 3.57Å; F132-F137 HydrophobicContact CD2-CG 4.02Å; F132-F137 HydrophobicContact CE2-CB 3.59Å; F132-F137 AromaticContact CE2-CD1 3.68Å; F132-F137 HydrophobicContact CE2-CD1 3.68Å; F132-F137 HydrophobicContact CE2-CD2 4.35Å; F132-F137 HydrophobicContact CE2-CE1 4.5Å; F132-F137 AromaticContact CE2-CG 3.59Å; F132-F137 HydrophobicContact CE2-CG 3.59Å; F132-F137 HydrophobicContact CZ-CD1 4.27Å; F132-F137 HydrophobicContact CZ-CG 4.35Å; F132-M166 HydrophobicContact CD1-CE 3.64Å; F132-M166 HydrophobicContact CE1-CE 3.33Å; F132-L183 HydrophobicContact CD1-CD2 4.19Å; F132-L183 HydrophobicContact CE1-CD2 4.12Å; F132-L183 HydrophobicContact CZ-CD2 4.43Å
133	D	97.9	Very high	97.7	Very high	90 Å²	90	42.3 Å²	42.3	48%	0.481	22%	0.22	S	C	.	.			trans	-70.8	126.1	175.2	-175.1	-70.8	0	0	0	110.4	E135 E136 F137	D133-E135 PolarHBondContact O-N 2.88Å; D133-E135 PolarHBondContact OD1-N 3.47Å; D133-E136 HydrophobicContact CB-CB 3.96Å; D133-E136 HydrophobicContact CB-CG 3.79Å; D133-E136 PolarHBondContact OD1-N 3.27Å; D133-F137 PolarHBondContact O-N 3.18Å; D133-F137 VanDerWaalsContact O-N 3.09Å
134	A	98.1	Very high	97.7	Very high	28 Å²	28	42.2 Å²	42.2	23%	0.231	22%	0.22	C	C	.	.	H	α-helix	trans	-64.3	-39.9	-173.9	0	0	0	0	0	113	V117 L121 F132 L138	V117-A134 HydrophobicContact CG1-CB 3.72Å; L121-A134 HydrophobicContact CD1-CB 3.95Å; F132-A134 PolarHBondContact O-N 2.8Å; A134-L138 VanDerWaalsContact O-CB 3.28Å; A134-L138 WeakPolarHBondContact O-CB 3.49Å; A134-L138 PolarHBondContact O-N 2.81Å
135	E	98.4	Very high	97.8	Very high	76 Å²	76	42.5 Å²	42.5	36%	0.355	22%	0.221	S	C	.	.	H	α-helix	trans	-79.7	-35.9	-176.9	-66.9	-64.2	135.9	0	0	110.8	R114 D133 F137 L138 N139	R114-E135 IonicContact CZ-OE1 3.38Å; R114-E135 IonicContact CZ-OE2 3.81Å; R114-E135 IonicContact NE-OE1 2.98Å; R114-E135 PolarHBondContact NE-OE1 3.08Å; R114-E135 IonicContact NE-OE2 3.81Å; R114-E135 PolarHBondContact NE-OE2 2.94Å; R114-E135 IonicContact NH2-OE1 2.75Å; R114-E135 IonicContact NH2-OE2 3.11Å; R114-E135 PolarHBondContact NH2-OE2 2.81Å; D133-E135 PolarHBondContact O-N 2.88Å; D133-E135 PolarHBondContact OD1-N 3.47Å; E135-F137 PolarHBondContact O-N 3.41Å; E135-L138 PolarHBondContact O-N 2.8Å; E135-N139 WeakPolarHBondContact O-CB 3.36Å; E135-N139 PolarHBondContact O-N 3.43Å; E135-N139 PolarHBondContact O-ND2 2.91Å; E135-N139 VanDerWaalsContact O-ND2 3.14Å
136	E	98.6	Very high	97.8	Very high	50 Å²	50	41.3 Å²	41.3	23%	0.234	21%	0.21	C	C	.	.	H	α-helix	trans	-60.5	-44.9	172.3	-65.4	-68.7	169.9	0	0	111.5	L23 Q24 Y25 D133 N139 C140	L23-E136 HydrophobicContact CD2-CB 3.97Å; Q24-E136 WeakPolarHBondContact CA-OE2 3.44Å; Y25-E136 VanDerWaalsContact CB-OE2 3.24Å; Y25-E136 WeakPolarHBondContact CB-OE2 3.43Å; Y25-E136 PolarHBondContact N-OE2 3.25Å; D133-E136 HydrophobicContact CB-CB 3.96Å; D133-E136 HydrophobicContact CB-CG 3.79Å; D133-E136 PolarHBondContact OD1-N 3.27Å; E136-N139 PolarHBondContact O-N 2.88Å; E136-C140 PolarHBondContact O-N 2.85Å; E136-C140 VanDerWaalsContact O-N 3.14Å; E136-C140 PolarHBondContact O-SG 3.13Å
137	F	98.7	Very high	97.9	Very high	2 Å²	2	37.1 Å²	37.1	1%	0.009	20%	0.196	C	C	.	.	H	α-helix	trans	-65.8	-42.5	174.9	176.4	-107.9	0	0	0	112.1	L23 F58 V117 M120 F132 D133 E135 N139 C140 L141 P164 L183 I185	L23-F137 HydrophobicContact CD1-CD2 4.39Å; F58-F137 HydrophobicContact CE1-CD2 4.47Å; F58-F137 HydrophobicContact CE1-CE2 4.07Å; F58-F137 HydrophobicContact CZ-CD2 4.49Å; F58-F137 HydrophobicContact CZ-CE2 4.49Å; V117-F137 HydrophobicContact CG1-CD1 4.05Å; V117-F137 HydrophobicContact CG2-CD1 3.94Å; V117-F137 HydrophobicContact CG2-CE1 4.19Å; M120-F137 HydrophobicContact SD-CE1 4.22Å; M120-F137 HydrophobicContact SD-CZ 4.37Å; F132-F137 HydrophobicContact CD2-CB 3.57Å; F132-F137 HydrophobicContact CD2-CG 4.02Å; F132-F137 HydrophobicContact CE2-CB 3.59Å; F132-F137 AromaticContact CE2-CD1 3.68Å; F132-F137 HydrophobicContact CE2-CD1 3.68Å; F132-F137 HydrophobicContact CE2-CD2 4.35Å; F132-F137 HydrophobicContact CE2-CE1 4.5Å; F132-F137 AromaticContact CE2-CG 3.59Å; F132-F137 HydrophobicContact CE2-CG 3.59Å; F132-F137 HydrophobicContact CZ-CD1 4.27Å; F132-F137 HydrophobicContact CZ-CG 4.35Å; D133-F137 PolarHBondContact O-N 3.18Å; D133-F137 VanDerWaalsContact O-N 3.09Å; E135-F137 PolarHBondContact O-N 3.41Å; F137-N139 VanDerWaalsContact C-N 3.31Å; F137-N139 PolarHBondContact O-N 3.5Å; F137-C140 WeakPolarHBondContact O-CB 3.32Å; F137-C140 PolarHBondContact O-N 2.76Å; F137-L141 HydrophobicContact CE1-CD1 4.24Å; F137-L141 HydrophobicContact CZ-CD1 4.43Å; F137-L141 PolarHBondContact O-N 3.01Å; F137-P164 HydrophobicContact CZ-CB 4.02Å; F137-P164 HydrophobicContact CZ-CG 4.38Å; F137-L183 HydrophobicContact CD2-CD2 3.76Å; F137-L183 HydrophobicContact CE2-CD1 4.14Å; F137-L183 HydrophobicContact CE2-CD2 3.74Å; F137-L183 HydrophobicContact CE2-CG 4.11Å; F137-L183 HydrophobicContact CZ-CD1 4.42Å; F137-I185 HydrophobicContact CE2-CD1 3.9Å; F137-I185 HydrophobicContact CE2-CG1 4.29Å; F137-I185 HydrophobicContact CZ-CD1 3.82Å; F137-I185 HydrophobicContact CZ-CG1 4.15Å
138	L	98.7	Very high	98.1	Very high	7 Å²	7	36.2 Å²	36.2	4%	0.037	19%	0.19	C	C	.	.	H	α-helix	trans	-61.1	-40.7	177.2	180	57.8	0	0	0	111.8	P113 R114 V117 A134 E135 C140 L141 V142	P113-L138 HydrophobicContact CB-CD1 3.71Å; P113-L138 HydrophobicContact CG-CD1 4Å; R114-L138 HydrophobicContact CG-CD2 3.6Å; V117-L138 HydrophobicContact CG2-CB 4.47Å; V117-L138 HydrophobicContact CG2-CD1 4.45Å; A134-L138 VanDerWaalsContact O-CB 3.28Å; A134-L138 WeakPolarHBondContact O-CB 3.49Å; A134-L138 PolarHBondContact O-N 2.81Å; E135-L138 PolarHBondContact O-N 2.8Å; L138-C140 VanDerWaalsContact C-N 3.34Å; L138-C140 PolarHBondContact O-N 2.86Å; L138-L141 PolarHBondContact O-N 3.36Å; L138-V142 HydrophobicContact CD1-CG2 4.3Å; L138-V142 WeakPolarHBondContact O-CG2 3.35Å; L138-V142 PolarHBondContact O-N 3.33Å
139	N	98.7	Very high	98.1	Very high	66 Å²	66	38 Å²	38	35%	0.353	19%	0.19	S	C	.	.	H	α-helix	trans	-63.1	-40.2	175.8	-72.4	-31.4	0	0	0	111.8	Y25 E135 E136 F137 V142 E143	Y25-N139 HydrophobicContact CD1-CB 3.92Å; Y25-N139 HydrophobicContact CD2-CB 3.9Å; Y25-N139 HydrophobicContact CE1-CB 4.48Å; Y25-N139 HydrophobicContact CE2-CB 4.47Å; Y25-N139 HydrophobicContact CG-CB 3.59Å; E135-N139 WeakPolarHBondContact O-CB 3.36Å; E135-N139 PolarHBondContact O-N 3.43Å; E135-N139 PolarHBondContact O-ND2 2.91Å; E135-N139 VanDerWaalsContact O-ND2 3.14Å; E136-N139 PolarHBondContact O-N 2.88Å; F137-N139 VanDerWaalsContact C-N 3.31Å; F137-N139 PolarHBondContact O-N 3.5Å; N139-V142 PolarHBondContact O-N 3.44Å; N139-E143 PolarHBondContact O-N 3.02Å
140	C	98.8	Very high	98.1	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-61.9	-44.1	172.1	-64.5	0	0	0	0	112.3	F58 E136 F137 L138 E143 F144	F58-C140 HydrophobicContact CD2-CB 4.09Å; F58-C140 HydrophobicContact CE2-CB 3.48Å; F58-C140 VanDerWaalsContact CE2-CB 3.48Å; F58-C140 HydrophobicContact CZ-CB 4.13Å; E136-C140 PolarHBondContact O-N 2.85Å; E136-C140 VanDerWaalsContact O-N 3.14Å; E136-C140 PolarHBondContact O-SG 3.13Å; F137-C140 WeakPolarHBondContact O-CB 3.32Å; F137-C140 PolarHBondContact O-N 2.76Å; L138-C140 VanDerWaalsContact C-N 3.34Å; L138-C140 PolarHBondContact O-N 2.86Å; C140-E143 PolarHBondContact O-N 2.88Å; C140-F144 PolarHBondContact O-N 2.85Å
141	L	98.8	Very high	98.1	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.005	21%	0.205	C	C	.	.	H	α-helix	trans	-62.6	-43.3	177.5	-176.5	157.4	0	0	0	111.4	L98 L110 F137 L138 E143 F144 V145 I162 P164 I185	L98-L141 HydrophobicContact CD1-CD1 4.15Å; L98-L141 HydrophobicContact CD1-CD2 4.41Å; L98-L141 HydrophobicContact CD2-CD1 4.3Å; L110-L141 HydrophobicContact CD1-CD2 3.66Å; L110-L141 HydrophobicContact CD2-CD2 4.34Å; F137-L141 HydrophobicContact CE1-CD1 4.24Å; F137-L141 HydrophobicContact CZ-CD1 4.43Å; F137-L141 PolarHBondContact O-N 3.01Å; L138-L141 PolarHBondContact O-N 3.36Å; L141-E143 VanDerWaalsContact C-N 3.31Å; L141-E143 PolarHBondContact O-N 3.09Å; L141-F144 WeakPolarHBondContact O-CB 3.47Å; L141-F144 PolarHBondContact O-N 3.09Å; L141-V145 HydrophobicContact CD2-CG2 4.04Å; L141-V145 WeakPolarHBondContact O-CG2 3.34Å; L141-V145 PolarHBondContact O-N 2.73Å; L141-I162 HydrophobicContact CD1-CG2 4.33Å; L141-I162 HydrophobicContact CD2-CD1 4.42Å; L141-I162 HydrophobicContact CG-CG2 4.48Å; L141-P164 HydrophobicContact CD1-CG 4.17Å; L141-I185 HydrophobicContact CB-CD1 3.96Å; L141-I185 HydrophobicContact CD1-CD1 4.2Å; L141-I185 HydrophobicContact CG-CD1 4.04Å
142	V	98.7	Very high	98.1	Very high	55 Å²	55	36 Å²	36	33%	0.333	18%	0.178	S	C	.	.	H	α-helix	trans	-61.7	-40.7	176	168.8	0	0	0	0	111	L110 L138 N139 V145 R146	L110-V142 HydrophobicContact CD1-CG2 3.89Å; L138-V142 HydrophobicContact CD1-CG2 4.3Å; L138-V142 WeakPolarHBondContact O-CG2 3.35Å; L138-V142 PolarHBondContact O-N 3.33Å; N139-V142 PolarHBondContact O-N 3.44Å; V142-V145 PolarHBondContact O-N 3.11Å; V142-R146 WeakPolarHBondContact O-CB 3.4Å; V142-R146 PolarHBondContact O-N 2.97Å
143	E	98.7	Very high	98	Very high	10 Å²	10	36 Å²	36	5%	0.047	18%	0.179	C	C	.	.	H	α-helix	trans	-65.7	-41.5	175.6	-179.2	65.2	110.1	0	0	112.5	Y25 L28 K30 I73 N139 C140 L141 V145 R146 I147	Y25-E143 HydrophobicContact CE2-CB 3.79Å; Y25-E143 HydrophobicContact CE2-CG 4.2Å; Y25-E143 PolarHBondContact OH-OE1 2.83Å; L28-E143 HydrophobicContact CD2-CB 3.9Å; L28-E143 HydrophobicContact CD2-CG 3.63Å; K30-E143 WeakPolarHBondContact CE-OE1 3.41Å; K30-E143 IonicContact NZ-OE1 3.97Å; K30-E143 PolarHBondContact NZ-OE1 3.06Å; I73-E143 HydrophobicContact CD1-CB 4.41Å; I73-E143 HydrophobicContact CD1-CG 3.98Å; N139-E143 PolarHBondContact O-N 3.02Å; C140-E143 PolarHBondContact O-N 2.88Å; L141-E143 VanDerWaalsContact C-N 3.31Å; L141-E143 PolarHBondContact O-N 3.09Å; E143-V145 PolarHBondContact O-N 2.75Å; E143-R146 WeakPolarHBondContact O-CB 3.47Å; E143-R146 PolarHBondContact O-N 3.1Å; E143-R146 IonicContact OE1-CZ 3.49Å; E143-R146 IonicContact OE1-NE 3.18Å; E143-R146 IonicContact OE1-NH2 3.91Å; E143-R146 PolarHBondContact OE1-NH2 3.02Å; E143-R146 IonicContact OE2-CZ 3.47Å; E143-R146 IonicContact OE2-NE 3.54Å; E143-R146 PolarHBondContact OE2-NE 3.48Å; E143-R146 IonicContact OE2-NH2 3.51Å; E143-R146 PolarHBondContact OE2-NH2 3.37Å; E143-I147 HydrophobicContact CG-CD1 4.2Å; E143-I147 PolarHBondContact O-N 3.06Å
144	F	98.8	Very high	97.7	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-56.8	-49.4	172.5	171.2	-103.6	0	0	0	111.6	H56 F58 I73 C140 L141 R146 I147 E148 F160 I185 A187	H56-F144 HydrophobicContact CB-CE2 4.49Å; H56-F144 WeakPolarHBondContact O-CE2 3.45Å; F58-F144 HydrophobicContact CB-CD2 4.31Å; F58-F144 HydrophobicContact CB-CG 4.48Å; I73-F144 HydrophobicContact CD1-CB 3.9Å; I73-F144 HydrophobicContact CG1-CB 4.32Å; I73-F144 HydrophobicContact CG1-CD2 4.37Å; I73-F144 HydrophobicContact CG2-CD2 4.31Å; C140-F144 PolarHBondContact O-N 2.85Å; L141-F144 WeakPolarHBondContact O-CB 3.47Å; L141-F144 PolarHBondContact O-N 3.09Å; F144-R146 VanDerWaalsContact C-N 3.28Å; F144-R146 PolarHBondContact O-N 3.21Å; F144-I147 PolarHBondContact O-N 3.38Å; F144-E148 HydrophobicContact CD2-CG 4.23Å; F144-E148 HydrophobicContact CE1-CG 4.37Å; F144-E148 HydrophobicContact CE2-CG 3.76Å; F144-E148 HydrophobicContact CZ-CG 3.84Å; F144-E148 WeakPolarHBondContact O-CG 3.41Å; F144-E148 PolarHBondContact O-N 3.45Å; F144-F160 HydrophobicContact CE1-CE1 4.41Å; F144-I185 HydrophobicContact CD1-CB 4.47Å; F144-I185 HydrophobicContact CD1-CG2 3.89Å; F144-I185 HydrophobicContact CE1-CB 4.46Å; F144-I185 HydrophobicContact CE1-CG2 3.7Å; F144-I185 HydrophobicContact CZ-CG2 4.4Å; F144-A187 HydrophobicContact CE1-CB 3.66Å; F144-A187 HydrophobicContact CZ-CB 3.96Å
145	V	98.7	Very high	97.1	Very high	6 Å²	6	40 Å²	40	4%	0.036	19%	0.192	C	C	.	.	H	α-helix	trans	-62.9	-34.3	177.2	174.1	0	0	0	0	112.1	A100 I108 L110 L141 V142 E143 E148 K149 I152 I162	A100-V145 HydrophobicContact CB-CG1 3.88Å; I108-V145 HydrophobicContact CG2-CG1 3.99Å; L110-V145 HydrophobicContact CD2-CG2 4.34Å; L141-V145 HydrophobicContact CD2-CG2 4.04Å; L141-V145 WeakPolarHBondContact O-CG2 3.34Å; L141-V145 PolarHBondContact O-N 2.73Å; V142-V145 PolarHBondContact O-N 3.11Å; E143-V145 PolarHBondContact O-N 2.75Å; V145-E148 CarbonylContact O-C 3.58Å; V145-E148 PolarHBondContact O-N 2.86Å; V145-K149 PolarHBondContact O-N 2.9Å; V145-I152 HydrophobicContact CG1-CD1 3.94Å; V145-I162 HydrophobicContact CG2-CD1 3.47Å; V145-I162 VanDerWaalsContact CG2-CD1 3.47Å; V145-I162 HydrophobicContact CG2-CG1 4.27Å
146	R	98.3	Very high	96.4	Very high	125 Å²	125	40 Å²	40	47%	0.472	20%	0.198	S	C	.	.	H	α-helix	trans	-67.7	-38.7	176.9	176.8	166	53.5	-138.4	-1.8	112.3	Y25 V142 E143 F144 K149	Y25-R146 PolarHBondContact OH-NH2 2.99Å; V142-R146 WeakPolarHBondContact O-CB 3.4Å; V142-R146 PolarHBondContact O-N 2.97Å; E143-R146 WeakPolarHBondContact O-CB 3.47Å; E143-R146 PolarHBondContact O-N 3.1Å; E143-R146 IonicContact OE1-CZ 3.49Å; E143-R146 IonicContact OE1-NE 3.18Å; E143-R146 IonicContact OE1-NH2 3.91Å; E143-R146 PolarHBondContact OE1-NH2 3.02Å; E143-R146 IonicContact OE2-CZ 3.47Å; E143-R146 IonicContact OE2-NE 3.54Å; E143-R146 PolarHBondContact OE2-NE 3.48Å; E143-R146 IonicContact OE2-NH2 3.51Å; E143-R146 PolarHBondContact OE2-NH2 3.37Å; F144-R146 VanDerWaalsContact C-N 3.28Å; F144-R146 PolarHBondContact O-N 3.21Å; R146-K149 WeakPolarHBondContact O-CB 3.19Å; R146-K149 WeakPolarHBondContact O-CG 3.34Å
147	I	98.3	Very high	95.7	Very high	33 Å²	33	39.3 Å²	39.3	17%	0.169	20%	0.199	C	C	.	.	H	α-helix	trans	-66.7	-41.6	173.4	-74.1	160.5	0	0	0	110.3	K30 I32 I73 E143 F144 K149	K30-I147 HydrophobicContact CD-CD1 4.2Å; K30-I147 HydrophobicContact CG-CD1 4.28Å; I32-I147 HydrophobicContact CD1-CD1 3.77Å; I32-I147 HydrophobicContact CD1-CG1 4.13Å; I32-I147 HydrophobicContact CD1-CG2 3.88Å; I73-I147 HydrophobicContact CB-CD1 4.39Å; I73-I147 HydrophobicContact CD1-CD1 3.66Å; I73-I147 HydrophobicContact CG2-CD1 4.04Å; E143-I147 HydrophobicContact CG-CD1 4.2Å; E143-I147 PolarHBondContact O-N 3.06Å; F144-I147 PolarHBondContact O-N 3.38Å; I147-K149 VanDerWaalsContact C-N 3.26Å; I147-K149 PolarHBondContact O-N 3.15Å
148	E	98.3	Very high	95.3	Very high	2 Å²	2	39.5 Å²	39.5	1%	0.009	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	10.9	-179	-62.8	-58.4	166.8	0	0	114.9	S54 D55 H56 F144 V145 D150 W151 F160	S54-E148 VanDerWaalsContact CB-CD 3.48Å; S54-E148 WeakPolarHBondContact CB-OE2 3.47Å; S54-E148 VanDerWaalsContact OG-CD 3.32Å; D55-E148 PolarHBondContact N-OE2 2.93Å; H56-E148 VanDerWaalsContact CA-OE1 3.27Å; H56-E148 WeakPolarHBondContact CA-OE1 3.46Å; H56-E148 WeakPolarHBondContact CB-OE1 2.97Å; H56-E148 IonicContact CE1-OE1 3.1Å; H56-E148 IonicContact CG-OE1 2.93Å; H56-E148 PolarHBondContact N-OE1 3.47Å; H56-E148 IonicContact ND1-OE1 3.83Å; H56-E148 PolarHBondContact ND1-OE1 3.27Å; H56-E148 IonicContact ND1-OE2 3.74Å; F144-E148 HydrophobicContact CD2-CG 4.23Å; F144-E148 HydrophobicContact CE1-CG 4.37Å; F144-E148 HydrophobicContact CE2-CG 3.76Å; F144-E148 HydrophobicContact CZ-CG 3.84Å; F144-E148 WeakPolarHBondContact O-CG 3.41Å; F144-E148 PolarHBondContact O-N 3.45Å; V145-E148 CarbonylContact O-C 3.58Å; V145-E148 PolarHBondContact O-N 2.86Å; E148-D150 PolarHBondContact O-N 3.15Å; E148-W151 WeakPolarHBondContact O-CB 3.28Å; E148-W151 PolarHBondContact O-N 3.3Å; E148-F160 HydrophobicContact CB-CE1 3.8Å; E148-F160 HydrophobicContact CB-CZ 3.72Å; E148-F160 HydrophobicContact CG-CE1 4.44Å; E148-F160 HydrophobicContact CG-CZ 4.2Å
149	K	97.2	Very high	95.1	Very high	104 Å²	104	39.4 Å²	39.4	45%	0.452	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-53.6	-29.3	-171.6	66.1	171.3	-169.9	172.3	0	114.3	R102 I108 V145 R146 I147 W151 I152	R102-K149 PolarHBondContact NH2-O 2.93Å; I108-K149 HydrophobicContact CD1-CB 3.41Å; I108-K149 VanDerWaalsContact CD1-CB 3.41Å; V145-K149 PolarHBondContact O-N 2.9Å; R146-K149 WeakPolarHBondContact O-CB 3.19Å; R146-K149 WeakPolarHBondContact O-CG 3.34Å; I147-K149 VanDerWaalsContact C-N 3.26Å; I147-K149 PolarHBondContact O-N 3.15Å; K149-W151 VanDerWaalsContact C-N 3.29Å; K149-I152 PolarHBondContact O-N 3.08Å
150	D	95.8	Very high	95	Very high	70 Å²	70	36.2 Å²	36.2	37%	0.374	19%	0.185	S	C	.	.	G	3₁₀ helix	trans	-76.6	-20.1	-177.4	-57.4	-28.8	0	0	0	111.4	R38 K41 E148 I152	R38-D150 IonicContact NH1-OD2 2.82Å; R38-D150 PolarHBondContact NH1-OD2 3.26Å; K41-D150 WeakPolarHBondContact CE-O 3.45Å; K41-D150 PolarHBondContact NZ-O 2.93Å; E148-D150 PolarHBondContact O-N 3.15Å; D150-I152 VanDerWaalsContact C-N 3.32Å
151	W	97.4	Very high	95	Very high	16 Å²	16	37.3 Å²	37.3	6%	0.061	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-79.8	-14.1	174.3	-77	91.8	0	0	0	113.5	K39 K41 D55 E148 K149 P153 F160 P189	K39-W151 HydrophobicContact CB-CH2 3.96Å; K39-W151 HydrophobicContact CB-CZ2 3.86Å; K39-W151 HydrophobicContact CD-CH2 4.38Å; K39-W151 HydrophobicContact CD-CZ2 4.3Å; K41-W151 HydrophobicContact CG-CD2 4.35Å; K41-W151 HydrophobicContact CG-CE3 4.04Å; K41-W151 HydrophobicContact CG-CH2 3.94Å; K41-W151 HydrophobicContact CG-CZ2 4.22Å; K41-W151 HydrophobicContact CG-CZ3 3.84Å; D55-W151 VanDerWaalsContact CG-NE1 3.29Å; D55-W151 PolarHBondContact OD2-NE1 2.67Å; E148-W151 WeakPolarHBondContact O-CB 3.28Å; E148-W151 PolarHBondContact O-N 3.3Å; K149-W151 VanDerWaalsContact C-N 3.29Å; W151-P153 WeakPolarHBondContact O-CD 3.13Å; W151-F160 HydrophobicContact CB-CD2 4.07Å; W151-F160 HydrophobicContact CB-CE2 3.55Å; W151-F160 HydrophobicContact CB-CZ 4.15Å; W151-F160 HydrophobicContact CG-CE2 4.45Å; W151-P189 HydrophobicContact CE3-CG 4.15Å; W151-P189 HydrophobicContact CZ3-CG 4.47Å
152	I	96.1	Very high	95	Very high	2 Å²	2	37.3 Å²	37.3	1%	0.01	19%	0.189	C	C	.	.	S	Bend	trans	-73	119.2	177.5	-50	-175.4	0	0	0	108.1	A100 R102 I108 V145 K149 D150 E154 F160	A100-I152 HydrophobicContact CB-CD1 3.9Å; R102-I152 HydrophobicContact CB-CG2 4.17Å; R102-I152 PolarHBondContact NH2-O 3.49Å; I108-I152 HydrophobicContact CB-CD1 4.27Å; I108-I152 HydrophobicContact CD1-CD1 3.7Å; I108-I152 HydrophobicContact CG1-CD1 3.83Å; I108-I152 HydrophobicContact CG2-CD1 3.41Å; I108-I152 VanDerWaalsContact CG2-CD1 3.41Å; V145-I152 HydrophobicContact CG1-CD1 3.94Å; K149-I152 PolarHBondContact O-N 3.08Å; D150-I152 VanDerWaalsContact C-N 3.32Å; I152-E154 PolarHBondContact O-N 3.04Å; I152-F160 HydrophobicContact CB-CB 4.19Å; I152-F160 HydrophobicContact CD1-CB 4.45Å; I152-F160 HydrophobicContact CG1-CB 3.73Å; I152-F160 HydrophobicContact CG1-CD1 4.12Å; I152-F160 HydrophobicContact CG1-CG 3.93Å; I152-F160 HydrophobicContact CG2-CB 4.12Å
153	P	94	Very high	95	Very high	13 Å²	13	38.1 Å²	38.1	8%	0.084	19%	0.186	C	C	.	.			trans	-50.6	139.9	-176.6	-29.7	36.9	0	0	0	112.7	F44 R102 W151 D155 S159 P189	F44-P153 HydrophobicContact CD2-CB 3.99Å; F44-P153 HydrophobicContact CD2-CG 4.13Å; F44-P153 HydrophobicContact CE2-CB 3.83Å; F44-P153 HydrophobicContact CE2-CG 3.86Å; R102-P153 WeakPolarHBondContact CB-O 3.25Å; R102-P153 PolarHBondContact NE-O 3.42Å; W151-P153 WeakPolarHBondContact O-CD 3.13Å; P153-D155 VanDerWaalsContact C-N 3.34Å; P153-S159 WeakPolarHBondContact CD-O 3.38Å; P153-P189 HydrophobicContact CG-CB 4Å
154	E	91.7	Very high	95	Very high	137 Å²	137	37.7 Å²	37.7	64%	0.64	18%	0.184	S	C	*	.	S	Bend	trans	-75.3	-29.1	170.6	-66	-65.8	156.9	0	0	111.3	R102 I152 P156	R102-E154 WeakPolarHBondContact CD-OE2 3.49Å; R102-E154 IonicContact CZ-OE1 3.97Å; R102-E154 IonicContact CZ-OE2 3.65Å; R102-E154 VanDerWaalsContact NE-CD 3.28Å; R102-E154 IonicContact NE-OE1 3.23Å; R102-E154 PolarHBondContact NE-OE1 3.05Å; R102-E154 IonicContact NE-OE2 3.35Å; R102-E154 PolarHBondContact NE-OE2 3.44Å; R102-E154 IonicContact NH1-OE1 3.22Å; R102-E154 IonicContact NH2-OE1 2.66Å; R102-E154 PolarHBondContact NH2-OE1 2.98Å; I152-E154 PolarHBondContact O-N 3.04Å; E154-P156 WeakPolarHBondContact O-CD 3.36Å
155	D	87.3	Confident	95	Very high	64 Å²	64	38.1 Å²	38.1	34%	0.342	19%	0.187	S	C	.	.	S	Bend	trans	-66.9	123.1	174.8	-170.6	-49.2	0	0	0	110	F44 P153 S157 G158	F44-D155 HydrophobicContact CD1-CB 3.58Å; F44-D155 HydrophobicContact CE1-CB 3.49Å; F44-D155 VanDerWaalsContact CE1-CB 3.49Å; F44-D155 VanDerWaalsContact CE1-CG 3.43Å; F44-D155 HydrophobicContact CG-CB 4.29Å; F44-D155 HydrophobicContact CZ-CB 4.13Å; P153-D155 VanDerWaalsContact C-N 3.34Å; D155-S157 VanDerWaalsContact CG-OG 3.32Å; D155-S157 PolarHBondContact O-N 2.71Å; D155-S157 VanDerWaalsContact O-N 3.12Å; D155-S157 WeakPolarHBondContact OD1-CA 3.2Å; D155-S157 VanDerWaalsContact OD1-CB 3.24Å; D155-S157 WeakPolarHBondContact OD1-CB 3.33Å; D155-S157 PolarHBondContact OD1-N 2.96Å; D155-S157 PolarHBondContact OD1-OG 3.11Å; D155-G158 WeakPolarHBondContact O-CA 3.37Å; D155-G158 PolarHBondContact O-N 3.21Å
156	P	83.7	Confident	95	Very high	76 Å²	76	37.9 Å²	37.9	49%	0.494	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-17.4	179.9	-23.8	34.2	0	0	0	114.9	E154 G158	E154-P156 WeakPolarHBondContact O-CD 3.36Å; P156-G158 VanDerWaalsContact C-N 3.25Å
157	S	83.5	Confident	95	Very high	37 Å²	37	32.1 Å²	32.1	26%	0.259	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-9	172.3	73	0	0	0	0	113.1	D155 S192	D155-S157 VanDerWaalsContact CG-OG 3.32Å; D155-S157 PolarHBondContact O-N 2.71Å; D155-S157 VanDerWaalsContact O-N 3.12Å; D155-S157 WeakPolarHBondContact OD1-CA 3.2Å; D155-S157 VanDerWaalsContact OD1-CB 3.24Å; D155-S157 WeakPolarHBondContact OD1-CB 3.33Å; D155-S157 PolarHBondContact OD1-N 2.96Å; D155-S157 PolarHBondContact OD1-OG 3.11Å; S157-S192 PolarHBondContact O-N 3.36Å
158	G	90.9	Very high	95.1	Very high	5 Å²	5	30.5 Å²	30.5	5%	0.052	16%	0.155	C	C	.	.			trans	-96.5	163	175.9	0	0	0	0	0	113.8	D155 P156 V190	D155-G158 WeakPolarHBondContact O-CA 3.37Å; D155-G158 PolarHBondContact O-N 3.21Å; P156-G158 VanDerWaalsContact C-N 3.25Å; G158-V190 WeakPolarHBondContact CA-O 3.4Å
159	S	94.5	Very high	95.1	Very high	5 Å²	5	31.6 Å²	31.6	4%	0.035	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	170.5	172.6	58.7	0	0	0	0	110.7	K99 A100 P153 V190	K99-S159 WeakPolarHBondContact CD-OG 3.44Å; K99-S159 WeakPolarHBondContact CE-OG 3.39Å; A100-S159 WeakPolarHBondContact O-CB 3.32Å; P153-S159 WeakPolarHBondContact CD-O 3.38Å; S159-V190 PolarHBondContact N-O 2.86Å; S159-V190 PolarHBondContact O-N 3.49Å; S159-V190 WeakPolarHBondContact OG-CG2 3.12Å
160	F	96.6	Very high	95	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	109.4	173.3	-170.4	-121.9	0	0	0	108.8	K99 A100 F144 E148 W151 I152 I162 A187 G188	K99-F160 CarbonylContact C-O 3.57Å; K99-F160 VanDerWaalsContact CA-O 3.28Å; K99-F160 WeakPolarHBondContact CA-O 3.21Å; A100-F160 HydrophobicContact CB-CB 4.23Å; A100-F160 PolarHBondContact N-O 3.27Å; A100-F160 PolarHBondContact O-N 2.96Å; F144-F160 HydrophobicContact CE1-CE1 4.41Å; E148-F160 HydrophobicContact CB-CE1 3.8Å; E148-F160 HydrophobicContact CB-CZ 3.72Å; E148-F160 HydrophobicContact CG-CE1 4.44Å; E148-F160 HydrophobicContact CG-CZ 4.2Å; W151-F160 HydrophobicContact CB-CD2 4.07Å; W151-F160 HydrophobicContact CB-CE2 3.55Å; W151-F160 HydrophobicContact CB-CZ 4.15Å; W151-F160 HydrophobicContact CG-CE2 4.45Å; I152-F160 HydrophobicContact CB-CB 4.19Å; I152-F160 HydrophobicContact CD1-CB 4.45Å; I152-F160 HydrophobicContact CG1-CB 3.73Å; I152-F160 HydrophobicContact CG1-CD1 4.12Å; I152-F160 HydrophobicContact CG1-CG 3.93Å; I152-F160 HydrophobicContact CG2-CB 4.12Å; F160-I162 HydrophobicContact CD1-CG1 4.03Å; F160-I162 HydrophobicContact CE1-CG1 4.46Å; F160-A187 HydrophobicContact CD1-CB 3.95Å; F160-A187 HydrophobicContact CE1-CB 3.23Å; F160-A187 HydrophobicContact CE2-CB 3.89Å; F160-A187 HydrophobicContact CZ-CB 3.2Å; F160-G188 CarbonylContact C-O 3.59Å; F160-G188 WeakPolarHBondContact CD2-O 3.47Å
161	Y	97.9	Very high	95.1	Very high	23 Å²	23	28.3 Å²	28.3	9%	0.09	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	123.4	-177.9	-172	-91.8	0	0	0	109.9	F49 G97 K99 R163 A187 G188 T332	F49-Y161 HydrophobicContact CE2-CD1 4.42Å; F49-Y161 AromaticContact CE2-CD2 3.79Å; F49-Y161 HydrophobicContact CE2-CD2 3.79Å; F49-Y161 AromaticContact CE2-CE2 3.98Å; F49-Y161 HydrophobicContact CE2-CE2 3.98Å; F49-Y161 HydrophobicContact CE2-CG 4Å; F49-Y161 HydrophobicContact CZ-CD1 4.35Å; F49-Y161 HydrophobicContact CZ-CD2 4.19Å; F49-Y161 HydrophobicContact CZ-CE1 4.19Å; F49-Y161 AromaticContact CZ-CE2 3.98Å; F49-Y161 HydrophobicContact CZ-CE2 3.98Å; F49-Y161 HydrophobicContact CZ-CG 4.35Å; F49-Y161 AromaticContact CZ-CZ 3.98Å; G97-Y161 WeakPolarHBondContact CA-OH 3.42Å; K99-Y161 HydrophobicContact CG-CD2 3.95Å; Y161-R163 HydrophobicContact CE1-CB 4.27Å; Y161-A187 WeakPolarHBondContact O-CA 3.37Å; Y161-A187 VanDerWaalsContact O-CB 3.26Å; Y161-A187 WeakPolarHBondContact O-CB 3.28Å; Y161-G188 PolarHBondContact N-O 2.83Å; Y161-G188 PolarHBondContact O-N 3.3Å; Y161-G188 VanDerWaalsContact O-N 3.11Å; Y161-T332 HydrophobicContact CE2-CG2 4.37Å
162	I	98.8	Very high	95	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	128.2	-175.7	-54.9	159.5	0	0	0	107.9	L98 A100 L110 L141 V145 F160 P164 I185 A187	L98-I162 HydrophobicContact CD2-CB 3.82Å; L98-I162 HydrophobicContact CD2-CG2 3.92Å; L98-I162 HydrophobicContact CG-CB 4.06Å; L98-I162 HydrophobicContact CG-CD1 4.29Å; L98-I162 HydrophobicContact CG-CG2 4.49Å; L98-I162 PolarHBondContact N-O 3.46Å; L98-I162 PolarHBondContact O-N 3.3Å; A100-I162 HydrophobicContact CB-CD1 4.06Å; L110-I162 HydrophobicContact CD2-CD1 3.54Å; L141-I162 HydrophobicContact CD1-CG2 4.33Å; L141-I162 HydrophobicContact CD2-CD1 4.42Å; L141-I162 HydrophobicContact CG-CG2 4.48Å; V145-I162 HydrophobicContact CG2-CD1 3.47Å; V145-I162 VanDerWaalsContact CG2-CD1 3.47Å; V145-I162 HydrophobicContact CG2-CG1 4.27Å; F160-I162 HydrophobicContact CD1-CG1 4.03Å; F160-I162 HydrophobicContact CE1-CG1 4.46Å; I162-P164 HydrophobicContact CG2-CG 4.42Å; I162-P164 WeakPolarHBondContact O-CD 3.29Å; I162-I185 HydrophobicContact CG2-CG2 3.43Å; I162-I185 VanDerWaalsContact CG2-CG2 3.43Å; I162-A187 HydrophobicContact CB-CB 4.46Å; I162-A187 HydrophobicContact CG1-CB 4.2Å
163	R	98.7	Very high	95	Very high	72 Å²	72	34.1 Å²	34.1	27%	0.272	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	82.8	-176.5	177.2	68.5	62.6	70.1	10	110.1	E96 Y161 I186	E96-R163 WeakPolarHBondContact O-CD 3.4Å; Y161-R163 HydrophobicContact CE1-CB 4.27Å; R163-I186 HydrophobicContact CB-CG1 3.79Å; R163-I186 WeakPolarHBondContact CB-O 3.14Å; R163-I186 HydrophobicContact CG-CD1 4.33Å; R163-I186 HydrophobicContact CG-CG1 4Å; R163-I186 PolarHBondContact N-O 2.91Å; R163-I186 PolarHBondContact O-N 2.86Å
164	P	98.9	Very high	95.1	Very high	2 Å²	2	35 Å²	35	1%	0.013	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	137.9	162.8	-18.8	33.7	0	0	0	110	F95 E96 L98 M120 F137 L141 I162 Y184 I185	F95-P164 CarbonylContact C-O 3.49Å; F95-P164 VanDerWaalsContact CA-O 3.22Å; F95-P164 WeakPolarHBondContact CA-O 3.3Å; E96-P164 HydrophobicContact CB-CB 4.11Å; E96-P164 HydrophobicContact CB-CG 3.96Å; E96-P164 PolarHBondContact N-O 3.47Å; L98-P164 HydrophobicContact CD2-CG 3.81Å; M120-P164 HydrophobicContact CE-CB 3.99Å; M120-P164 HydrophobicContact SD-CB 3.81Å; F137-P164 HydrophobicContact CZ-CB 4.02Å; F137-P164 HydrophobicContact CZ-CG 4.38Å; L141-P164 HydrophobicContact CD1-CG 4.17Å; I162-P164 HydrophobicContact CG2-CG 4.42Å; I162-P164 WeakPolarHBondContact O-CD 3.29Å; P164-Y184 CarbonylContact C-O 3.58Å; P164-Y184 WeakPolarHBondContact CA-O 3.35Å; P164-I185 HydrophobicContact CB-CG1 4.25Å; P164-I185 HydrophobicContact CG-CG1 4.42Å
165	T	98.9	Very high	95.2	Very high	9 Å²	9	35.4 Å²	35.4	6%	0.055	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	136.8	179.6	-50.4	0	0	0	0	109.3	I94 F95 I167 L183 Y184	I94-T165 WeakPolarHBondContact O-CA 3.49Å; I94-T165 WeakPolarHBondContact O-CG2 3.42Å; F95-T165 HydrophobicContact CB-CG2 4.38Å; T165-I167 HydrophobicContact CG2-CG2 3.96Å; T165-L183 CarbonylContact O-C 3.54Å; T165-L183 WeakPolarHBondContact O-CA 3.49Å; T165-L183 WeakPolarHBondContact O-CD1 3.1Å; T165-Y184 HydrophobicContact CG2-CE1 3.73Å; T165-Y184 HydrophobicContact CG2-CE2 4.37Å; T165-Y184 WeakPolarHBondContact CG2-OH 3.4Å; T165-Y184 PolarHBondContact N-O 3.39Å; T165-Y184 PolarHBondContact O-N 3.01Å
166	M	98.8	Very high	95.6	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	131.9	169.4	-170.8	-171.6	-62.1	0	0	109.9	W68 Q93 I94 M120 M129 P130 F132 L182 L183	W68-M166 HydrophobicContact CH2-CE 3.63Å; W68-M166 HydrophobicContact CH2-SD 4.22Å; W68-M166 HydrophobicContact CZ2-CE 4.01Å; Q93-M166 CarbonylContact C-O 3.57Å; Q93-M166 VanDerWaalsContact CA-O 3.25Å; Q93-M166 WeakPolarHBondContact CA-O 3.4Å; I94-M166 HydrophobicContact CD1-CB 4.1Å; I94-M166 HydrophobicContact CG1-CB 3.84Å; I94-M166 PolarHBondContact N-O 2.64Å; I94-M166 PolarHBondContact O-N 3.29Å; M120-M166 HydrophobicContact CE-CB 4.04Å; M129-M166 HydrophobicContact CB-SD 3.86Å; M129-M166 HydrophobicContact CE-CB 4.16Å; M129-M166 HydrophobicContact CE-CG 4.19Å; M129-M166 HydrophobicContact CE-SD 4.2Å; M129-M166 HydrophobicContact CG-SD 4.41Å; M129-M166 HydrophobicContact SD-CB 4.34Å; M129-M166 HydrophobicContact SD-CG 3.77Å; M129-M166 HydrophobicContact SD-SD 3.82Å; P130-M166 HydrophobicContact CG-SD 4.09Å; F132-M166 HydrophobicContact CD1-CE 3.64Å; F132-M166 HydrophobicContact CE1-CE 3.33Å; M166-L182 CarbonylContact C-O 3.49Å; M166-L182 VanDerWaalsContact CA-O 3.27Å; M166-L182 WeakPolarHBondContact CA-O 3.46Å; M166-L183 HydrophobicContact CB-CD1 4.15Å; M166-L183 HydrophobicContact CE-CB 4.19Å; M166-L183 HydrophobicContact CE-CD1 4.18Å; M166-L183 HydrophobicContact CE-CD2 4.21Å; M166-L183 HydrophobicContact CE-CG 4.43Å; M166-L183 HydrophobicContact CG-CB 4.33Å
167	I	98.8	Very high	96.2	Very high	4 Å²	4	37 Å²	37	2%	0.021	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	146.2	-176.8	62.2	172.3	0	0	0	110.9	L79 L81 V87 Q93 T165 T169 S181 L182 Y184	L79-I167 HydrophobicContact CD1-CD1 4.17Å; L81-I167 HydrophobicContact CD1-CD1 4.16Å; L81-I167 HydrophobicContact CD2-CD1 4.07Å; V87-I167 HydrophobicContact CB-CB 4.01Å; V87-I167 HydrophobicContact CB-CG2 4.48Å; V87-I167 HydrophobicContact CG1-CB 4.28Å; V87-I167 HydrophobicContact CG1-CD1 4.36Å; V87-I167 HydrophobicContact CG2-CB 3.94Å; V87-I167 HydrophobicContact CG2-CG2 3.86Å; Q93-I167 HydrophobicContact CB-CG2 3.87Å; T165-I167 HydrophobicContact CG2-CG2 3.96Å; I167-T169 HydrophobicContact CD1-CG2 4.11Å; I167-T169 HydrophobicContact CG1-CG2 3.98Å; I167-S181 CarbonylContact O-C 3.6Å; I167-S181 WeakPolarHBondContact O-CA 3.3Å; I167-S181 WeakPolarHBondContact O-CB 3.4Å; I167-L182 HydrophobicContact CD1-CB 4.4Å; I167-L182 HydrophobicContact CD1-CD2 4.32Å; I167-L182 HydrophobicContact CG1-CB 3.91Å; I167-L182 PolarHBondContact N-O 3.49Å; I167-L182 PolarHBondContact O-N 3.19Å; I167-Y184 HydrophobicContact CD1-CE1 4.26Å; I167-Y184 HydrophobicContact CG1-CE1 4.38Å; I167-Y184 HydrophobicContact CG2-CE1 4.22Å
168	A	98.5	Very high	96.8	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	120.5	170.6	0	0	0	0	0	111.3	K86 V87 C92 P178	K86-A168 HydrophobicContact CB-CB 3.84Å; K86-A168 PolarHBondContact N-O 3.25Å; V87-A168 WeakPolarHBondContact CG1-O 3.43Å; V87-A168 PolarHBondContact N-O 2.87Å; C92-A168 HydrophobicContact CB-CB 3.76Å; C92-A168 PolarHBondContact O-N 3.36Å; A168-P178 HydrophobicContact CB-CB 3.76Å; A168-P178 HydrophobicContact CB-CG 3.71Å
169	T	98.5	Very high	97.1	Very high	24 Å²	24	38.5 Å²	38.5	15%	0.147	22%	0.219	C	C	.	.			trans	-106.6	-6.8	-171.1	49.4	0	0	0	0	113.7	L81 S85 I167 S180 S181 L182	L81-T169 HydrophobicContact CD2-CG2 4.04Å; S85-T169 PolarHBondContact OG-O 3.06Å; I167-T169 HydrophobicContact CD1-CG2 4.11Å; I167-T169 HydrophobicContact CG1-CG2 3.98Å; T169-S180 PolarHBondContact N-O 2.92Å; T169-S180 VanDerWaalsContact OG1-C 3.27Å; T169-S180 WeakPolarHBondContact OG1-CB 3.3Å; T169-S180 PolarHBondContact OG1-O 2.95Å; T169-S180 PolarHBondContact OG1-OG 3.42Å; T169-S181 PolarHBondContact OG1-N 2.84Å; T169-L182 HydrophobicContact CG2-CB 3.75Å
170	E	96.3	Very high	97.3	Very high	26 Å²	26	39.6 Å²	39.6	12%	0.121	23%	0.226	C	C	.	.			trans	-52.2	128.2	-176.2	-170.6	-175.1	-168.4	0	0	112.9	S85 K86 T172 N179	S85-E170 WeakPolarHBondContact CA-O 3.49Å; K86-E170 WeakPolarHBondContact CE-OE2 3.2Å; K86-E170 IonicContact NZ-OE2 2.73Å; K86-E170 PolarHBondContact NZ-OE2 3.05Å; E170-T172 HydrophobicContact CG-CG2 3.83Å; E170-T172 PolarHBondContact O-N 2.89Å; E170-N179 HydrophobicContact CG-CB 4.27Å; E170-N179 WeakPolarHBondContact OE1-CB 3.47Å; E170-N179 PolarHBondContact OE1-ND2 2.69Å; E170-N179 PolarHBondContact OE2-N 2.86Å; E170-N179 VanDerWaalsContact OE2-N 3.11Å
171	P	96.8	Very high	97.3	Very high	80 Å²	80	39.6 Å²	39.6	52%	0.519	23%	0.226	S	C	.	.	B	Isolated β-bridge	trans	-81.8	60.8	-171.5	35.1	-38.4	0	0	0	112.4	H82	H82-P171 HydrophobicContact CB-CB 3.84Å; H82-P171 WeakPolarHBondContact ND1-CB 3.42Å
172	T	96.3	Very high	97.4	Very high	50 Å²	50	39 Å²	39	31%	0.307	23%	0.225	S	C	.	.			trans	-150.5	139.1	178.1	-175.9	0	0	0	0	112.4	A84 E170 G174	A84-T172 CarbonylContact O-C 3.51Å; A84-T172 PolarHBondContact O-N 3.39Å; E170-T172 HydrophobicContact CG-CG2 3.83Å; E170-T172 PolarHBondContact O-N 2.89Å; T172-G174 PolarHBondContact O-N 2.68Å; T172-G174 PolarHBondContact OG1-N 2.99Å; T172-G174 VanDerWaalsContact OG1-N 3.16Å
173	V	95.6	Very high	97.4	Very high	89 Å²	89	39 Å²	39	54%	0.539	23%	0.225	S	C	.	.			trans	-80	1	172.1	-59.3	0	0	0	0	112.5	A84 Y90 I175	A84-V173 HydrophobicContact CB-CG1 4.01Å; Y90-V173 PolarHBondContact OH-O 2.81Å; V173-I175 PolarHBondContact O-N 2.83Å
174	G	95.9	Very high	97.4	Very high	32 Å²	32	37.3 Å²	37.3	33%	0.33	22%	0.219	S	C	.	.	S	Bend	trans	-67.3	129.5	170.8	0	0	0	0	0	111.1	K86 T172 S176	K86-G174 WeakPolarHBondContact CE-O 3.37Å; K86-G174 PolarHBondContact NZ-O 2.79Å; T172-G174 PolarHBondContact O-N 2.68Å; T172-G174 PolarHBondContact OG1-N 2.99Å; T172-G174 VanDerWaalsContact OG1-N 3.16Å; G174-S176 PolarHBondContact O-N 2.84Å
175	I	95.1	Very high	97.4	Very high	146 Å²	146	37.2 Å²	37.2	75%	0.749	22%	0.218	S	C	*	.			trans	-74.6	105.4	169.7	-58.7	175.8	0	0	0	107.8	Y90 V173	Y90-I175 HydrophobicContact CD1-CD1 4.32Å; Y90-I175 HydrophobicContact CD1-CG1 4.13Å; Y90-I175 HydrophobicContact CD2-CG1 4.18Å; Y90-I175 HydrophobicContact CE1-CD1 4Å; Y90-I175 HydrophobicContact CE1-CG1 3.77Å; Y90-I175 HydrophobicContact CE2-CG1 3.81Å; Y90-I175 HydrophobicContact CG-CG1 4.35Å; V173-I175 PolarHBondContact O-N 2.83Å
176	S	95.1	Very high	97.4	Very high	59 Å²	59	38 Å²	38	41%	0.413	22%	0.222	S	C	.	.	S	Bend	trans	-151	168.7	-177.9	65.6	0	0	0	0	110.4	K86 G174	K86-S176 WeakPolarHBondContact CE-O 3.26Å; K86-S176 VanDerWaalsContact CE-OG 3.25Å; K86-S176 WeakPolarHBondContact CE-OG 3.34Å; K86-S176 PolarHBondContact NZ-OG 3.41Å; K86-S176 VanDerWaalsContact NZ-OG 3.08Å; G174-S176 PolarHBondContact O-N 2.84Å
177	I	96.5	Very high	97.4	Very high	114 Å²	114	38.1 Å²	38.1	59%	0.585	22%	0.222	S	C	*	.	S	Bend	trans	-55.7	132.5	165.7	-63.5	174.1	0	0	0	108.1	N179	I177-N179 PolarHBondContact O-N 2.88Å
178	P	95.6	Very high	97.3	Very high	4 Å²	4	38.2 Å²	38.2	3%	0.026	22%	0.224	C	C	.	.			trans	-61.7	129	179.3	-23.8	34.1	0	0	0	112.4	W62 K86 C92 M129 A168	W62-P178 WeakPolarHBondContact CZ3-O 3.24Å; K86-P178 HydrophobicContact CD-CG 4.39Å; C92-P178 VanDerWaalsContact SG-CG 3.55Å; M129-P178 HydrophobicContact CG-CG 4.37Å; A168-P178 HydrophobicContact CB-CB 3.76Å; A168-P178 HydrophobicContact CB-CG 3.71Å
179	N	96.9	Very high	97.2	Very high	69 Å²	69	38.7 Å²	38.7	37%	0.369	23%	0.228	S	C	.	.	S	Bend	trans	-93.2	-4.2	169.8	-70.1	-59.2	0	0	0	114	T63 S64 E170 I177	T63-N179 CarbonylContact C-O 3.5Å; T63-N179 VanDerWaalsContact CA-O 3.28Å; T63-N179 WeakPolarHBondContact CA-O 3.1Å; S64-N179 WeakPolarHBondContact CB-OD1 2.91Å; S64-N179 PolarHBondContact N-O 2.9Å; S64-N179 WeakPolarHBondContact OG-CB 3.22Å; S64-N179 PolarHBondContact OG-OD1 3.31Å; E170-N179 HydrophobicContact CG-CB 4.27Å; E170-N179 WeakPolarHBondContact OE1-CB 3.47Å; E170-N179 PolarHBondContact OE1-ND2 2.69Å; E170-N179 PolarHBondContact OE2-N 2.86Å; E170-N179 VanDerWaalsContact OE2-N 3.11Å; I177-N179 PolarHBondContact O-N 2.88Å
180	S	98.1	Very high	97	Very high	28 Å²	28	37.6 Å²	37.6	20%	0.196	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	142.1	173.5	-174.7	0	0	0	0	110.8	W62 T169	W62-S180 VanDerWaalsContact O-CA 3.23Å; W62-S180 WeakPolarHBondContact O-CA 3.47Å; W62-S180 PolarHBondContact O-OG 2.81Å; W62-S180 VanDerWaalsContact O-OG 3.1Å; T169-S180 PolarHBondContact N-O 2.92Å; T169-S180 VanDerWaalsContact OG1-C 3.27Å; T169-S180 WeakPolarHBondContact OG1-CB 3.3Å; T169-S180 PolarHBondContact OG1-O 2.95Å; T169-S180 PolarHBondContact OG1-OG 3.42Å
181	S	98.4	Very high	96.5	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	155.2	178.6	-58	0	0	0	0	111.2	E61 W62 P130 I167 T169	E61-S181 CarbonylContact C-O 3.59Å; W62-S181 PolarHBondContact N-O 2.91Å; W62-S181 PolarHBondContact O-N 2.89Å; P130-S181 VanDerWaalsContact CD-OG 3.3Å; P130-S181 WeakPolarHBondContact CD-OG 3.24Å; I167-S181 CarbonylContact O-C 3.6Å; I167-S181 WeakPolarHBondContact O-CA 3.3Å; I167-S181 WeakPolarHBondContact O-CB 3.4Å; T169-S181 PolarHBondContact OG1-N 2.84Å
182	L	98.8	Very high	95.6	Very high	12 Å²	12	35.3 Å²	35.3	6%	0.063	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	125.4	170.2	175.7	63.7	0	0	0	108.4	E59 E61 L79 M166 I167 T169 Y184	E59-L182 HydrophobicContact CB-CD1 4.07Å; E61-L182 HydrophobicContact CG-CD1 4.05Å; L79-L182 HydrophobicContact CD1-CD2 4.12Å; L79-L182 HydrophobicContact CD2-CD2 3.75Å; M166-L182 CarbonylContact C-O 3.49Å; M166-L182 VanDerWaalsContact CA-O 3.27Å; M166-L182 WeakPolarHBondContact CA-O 3.46Å; I167-L182 HydrophobicContact CD1-CB 4.4Å; I167-L182 HydrophobicContact CD1-CD2 4.32Å; I167-L182 HydrophobicContact CG1-CB 3.91Å; I167-L182 PolarHBondContact N-O 3.49Å; I167-L182 PolarHBondContact O-N 3.19Å; T169-L182 HydrophobicContact CG2-CB 3.75Å; L182-Y184 HydrophobicContact CD2-CD1 4.19Å; L182-Y184 HydrophobicContact CG-CD1 4.14Å
183	L	98.9	Very high	94.3	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	123.7	168.8	170.4	61.4	0	0	0	108.4	L23 F58 E59 V60 W68 M120 F132 F137 T165 M166	L23-L183 HydrophobicContact CD1-CD2 3.96Å; F58-L183 HydrophobicContact CE1-CG 4.24Å; E59-L183 CarbonylContact C-O 3.52Å; E59-L183 VanDerWaalsContact CA-O 3.32Å; E59-L183 WeakPolarHBondContact CA-O 3.22Å; V60-L183 HydrophobicContact CG1-CB 3.79Å; V60-L183 HydrophobicContact CG1-CD2 4.01Å; V60-L183 HydrophobicContact CG1-CG 4.1Å; V60-L183 PolarHBondContact N-O 2.99Å; V60-L183 PolarHBondContact O-N 3.31Å; W68-L183 HydrophobicContact CH2-CB 3.92Å; W68-L183 HydrophobicContact CH2-CD2 4.24Å; W68-L183 HydrophobicContact CZ3-CB 3.76Å; W68-L183 HydrophobicContact CZ3-CD2 4.35Å; M120-L183 HydrophobicContact CE-CD1 3.26Å; M120-L183 HydrophobicContact SD-CD1 4.31Å; F132-L183 HydrophobicContact CD1-CD2 4.19Å; F132-L183 HydrophobicContact CE1-CD2 4.12Å; F132-L183 HydrophobicContact CZ-CD2 4.43Å; F137-L183 HydrophobicContact CD2-CD2 3.76Å; F137-L183 HydrophobicContact CE2-CD1 4.14Å; F137-L183 HydrophobicContact CE2-CD2 3.74Å; F137-L183 HydrophobicContact CE2-CG 4.11Å; F137-L183 HydrophobicContact CZ-CD1 4.42Å; T165-L183 CarbonylContact O-C 3.54Å; T165-L183 WeakPolarHBondContact O-CA 3.49Å; T165-L183 WeakPolarHBondContact O-CD1 3.1Å; M166-L183 HydrophobicContact CB-CD1 4.15Å; M166-L183 HydrophobicContact CE-CB 4.19Å; M166-L183 HydrophobicContact CE-CD1 4.18Å; M166-L183 HydrophobicContact CE-CD2 4.21Å; M166-L183 HydrophobicContact CE-CG 4.43Å; M166-L183 HydrophobicContact CG-CB 4.33Å
184	Y	98.9	Very high	92.7	Very high	35 Å²	35	36.2 Å²	36.2	14%	0.137	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	161.1	179.9	68	-90.7	0	0	0	112.4	M57 F58 L79 P164 T165 I167 L182 I186	M57-Y184 HydrophobicContact CE-CD2 4.33Å; M57-Y184 HydrophobicContact CE-CG 4.41Å; F58-Y184 CarbonylContact O-C 3.58Å; F58-Y184 WeakPolarHBondContact O-CA 3.46Å; F58-Y184 VanDerWaalsContact O-CB 3.22Å; F58-Y184 WeakPolarHBondContact O-CB 3.42Å; L79-Y184 HydrophobicContact CD1-CD1 4.32Å; L79-Y184 HydrophobicContact CD1-CE1 3.89Å; P164-Y184 CarbonylContact C-O 3.58Å; P164-Y184 WeakPolarHBondContact CA-O 3.35Å; T165-Y184 HydrophobicContact CG2-CE1 3.73Å; T165-Y184 HydrophobicContact CG2-CE2 4.37Å; T165-Y184 WeakPolarHBondContact CG2-OH 3.4Å; T165-Y184 PolarHBondContact N-O 3.39Å; T165-Y184 PolarHBondContact O-N 3.01Å; I167-Y184 HydrophobicContact CD1-CE1 4.26Å; I167-Y184 HydrophobicContact CG1-CE1 4.38Å; I167-Y184 HydrophobicContact CG2-CE1 4.22Å; L182-Y184 HydrophobicContact CD2-CD1 4.19Å; L182-Y184 HydrophobicContact CG-CD1 4.14Å; Y184-I186 HydrophobicContact CD2-CG2 4.08Å; Y184-I186 HydrophobicContact CE2-CD1 4.47Å; Y184-I186 HydrophobicContact CE2-CG2 4.23Å
185	I	98.9	Very high	90.7	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	126.9	172.3	-51.4	169.1	0	0	0	108.2	M57 F58 F137 L141 F144 I162 P164	M57-I185 WeakPolarHBondContact CA-O 3.24Å; M57-I185 WeakPolarHBondContact CB-O 3.48Å; F58-I185 HydrophobicContact CB-CB 3.94Å; F58-I185 HydrophobicContact CB-CD1 4.05Å; F58-I185 HydrophobicContact CB-CG1 4.08Å; F58-I185 HydrophobicContact CD1-CB 4.48Å; F58-I185 HydrophobicContact CD1-CD1 3.94Å; F58-I185 HydrophobicContact CD1-CG1 3.82Å; F58-I185 HydrophobicContact CG-CD1 4.04Å; F58-I185 HydrophobicContact CG-CG1 4.23Å; F58-I185 PolarHBondContact N-O 3.43Å; F58-I185 PolarHBondContact O-N 2.91Å; F137-I185 HydrophobicContact CE2-CD1 3.9Å; F137-I185 HydrophobicContact CE2-CG1 4.29Å; F137-I185 HydrophobicContact CZ-CD1 3.82Å; F137-I185 HydrophobicContact CZ-CG1 4.15Å; L141-I185 HydrophobicContact CB-CD1 3.96Å; L141-I185 HydrophobicContact CD1-CD1 4.2Å; L141-I185 HydrophobicContact CG-CD1 4.04Å; F144-I185 HydrophobicContact CD1-CB 4.47Å; F144-I185 HydrophobicContact CD1-CG2 3.89Å; F144-I185 HydrophobicContact CE1-CB 4.46Å; F144-I185 HydrophobicContact CE1-CG2 3.7Å; F144-I185 HydrophobicContact CZ-CG2 4.4Å; I162-I185 HydrophobicContact CG2-CG2 3.43Å; I162-I185 VanDerWaalsContact CG2-CG2 3.43Å; P164-I185 HydrophobicContact CB-CG1 4.25Å; P164-I185 HydrophobicContact CG-CG1 4.42Å
186	I	98.8	Very high	88.4	Confident	26 Å²	26	32.8 Å²	32.8	13%	0.133	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	154	164.2	62.4	-176	0	0	0	109	F53 M57 F76 R163 Y184	F53-I186 HydrophobicContact CD1-CB 4.29Å; F53-I186 HydrophobicContact CD1-CD1 4.25Å; F53-I186 HydrophobicContact CD1-CG1 4.45Å; F53-I186 HydrophobicContact CE1-CD1 3.7Å; F53-I186 HydrophobicContact CE1-CG1 4.25Å; F53-I186 HydrophobicContact CZ-CD1 4.5Å; M57-I186 HydrophobicContact CB-CG2 4.26Å; F76-I186 HydrophobicContact CD2-CG2 4.3Å; F76-I186 HydrophobicContact CE2-CB 4.13Å; F76-I186 HydrophobicContact CE2-CG2 3.68Å; R163-I186 HydrophobicContact CB-CG1 3.79Å; R163-I186 WeakPolarHBondContact CB-O 3.14Å; R163-I186 HydrophobicContact CG-CD1 4.33Å; R163-I186 HydrophobicContact CG-CG1 4Å; R163-I186 PolarHBondContact N-O 2.91Å; R163-I186 PolarHBondContact O-N 2.86Å; Y184-I186 HydrophobicContact CD2-CG2 4.08Å; Y184-I186 HydrophobicContact CE2-CD1 4.47Å; Y184-I186 HydrophobicContact CE2-CG2 4.23Å
187	A	98.7	Very high	86.1	Confident	2 Å²	2	33.4 Å²	33.4	2%	0.017	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	161.8	177.3	0	0	0	0	0	112.1	F53 S54 F144 F160 Y161 I162	F53-A187 WeakPolarHBondContact CA-O 3.45Å; S54-A187 PolarHBondContact N-O 2.77Å; S54-A187 PolarHBondContact OG-O 2.75Å; F144-A187 HydrophobicContact CE1-CB 3.66Å; F144-A187 HydrophobicContact CZ-CB 3.96Å; F160-A187 HydrophobicContact CD1-CB 3.95Å; F160-A187 HydrophobicContact CE1-CB 3.23Å; F160-A187 HydrophobicContact CE2-CB 3.89Å; F160-A187 HydrophobicContact CZ-CB 3.2Å; Y161-A187 WeakPolarHBondContact O-CA 3.37Å; Y161-A187 VanDerWaalsContact O-CB 3.26Å; Y161-A187 WeakPolarHBondContact O-CB 3.28Å; I162-A187 HydrophobicContact CB-CB 4.46Å; I162-A187 HydrophobicContact CG1-CB 4.2Å
188	G	97.4	Very high	84	Confident	6 Å²	6	31.1 Å²	31.1	6%	0.062	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.9	156	-175.5	0	0	0	0	0	112.7	D52 F160 Y161	D52-G188 VanDerWaalsContact O-CA 3.24Å; D52-G188 WeakPolarHBondContact O-CA 3.11Å; F160-G188 CarbonylContact C-O 3.59Å; F160-G188 WeakPolarHBondContact CD2-O 3.47Å; Y161-G188 PolarHBondContact N-O 2.83Å; Y161-G188 PolarHBondContact O-N 3.3Å; Y161-G188 VanDerWaalsContact O-N 3.11Å
189	P	96.4	Very high	82.4	Confident	10 Å²	10	34.9 Å²	34.9	7%	0.065	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	144.3	173.9	30.8	-34.3	0	0	0	109.5	V47 D52 W151 P153	V47-P189 VanDerWaalsContact CG1-C 3.48Å; V47-P189 HydrophobicContact CG1-CB 4.01Å; V47-P189 HydrophobicContact CG1-CG 4.05Å; V47-P189 WeakPolarHBondContact CG1-O 3.44Å; V47-P189 HydrophobicContact CG2-CB 4.41Å; V47-P189 HydrophobicContact CG2-CG 4.21Å; D52-P189 HydrophobicContact CB-CG 4.16Å; W151-P189 HydrophobicContact CE3-CG 4.15Å; W151-P189 HydrophobicContact CZ3-CG 4.47Å; P153-P189 HydrophobicContact CG-CB 4Å
190	V	93.2	Very high	81.2	Confident	2 Å²	2	39.2 Å²	39.2	1%	0.012	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	137.9	172.5	-59.4	0	0	0	0	109.9	F49 G158 S159	F49-V190 HydrophobicContact CD2-CB 4.16Å; F49-V190 HydrophobicContact CD2-CG1 3.71Å; F49-V190 HydrophobicContact CE2-CG1 4.23Å; F49-V190 HydrophobicContact CG-CG1 4.46Å; G158-V190 WeakPolarHBondContact CA-O 3.4Å; S159-V190 PolarHBondContact N-O 2.86Å; S159-V190 PolarHBondContact O-N 3.49Å; S159-V190 WeakPolarHBondContact OG-CG2 3.12Å
191	G	86.8	Confident	80.5	Confident	25 Å²	25	38.3 Å²	38.3	26%	0.258	23%	0.234	S	C	.	.			trans	-79.1	178.3	171.8	0	0	0	0	0	113.3
192	S	76.4	Confident	79.9	Confident	33 Å²	33	42.3 Å²	42.3	23%	0.231	26%	0.256	C	S	.	.			trans	-64.9	136.5	168	173.2	0	0	0	0	110.3	S157 W194 G195	S157-S192 PolarHBondContact O-N 3.36Å; S192-W194 PolarHBondContact O-N 2.87Å; S192-W194 PolarHBondContact OG-N 2.88Å; S192-W194 VanDerWaalsContact OG-N 3.14Å; S192-G195 WeakPolarHBondContact CB-O 3.36Å; S192-G195 PolarHBondContact O-N 3.18Å; S192-G195 PolarHBondContact OG-O 3.46Å
193	Y	69.4	Low	79.6	Confident	138 Å²	138	43.9 Å²	43.9	54%	0.541	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-17.9	174.3	-145.1	-92.6	0	0	0	112.6	V334	Y193-V334 HydrophobicContact CD1-CG1 3.66Å; Y193-V334 HydrophobicContact CD2-CG1 3.9Å; Y193-V334 HydrophobicContact CE1-CG1 4.13Å; Y193-V334 HydrophobicContact CE2-CG1 4.34Å; Y193-V334 HydrophobicContact CG-CG1 3.52Å
194	W	63.7	Low	79.4	Confident	20 Å²	20	45 Å²	45	8%	0.076	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-0.8	-177.8	-53.1	119.5	0	0	0	113.6	S192 T198 L201 N202 V334 V336 F368	S192-W194 PolarHBondContact O-N 2.87Å; S192-W194 PolarHBondContact OG-N 2.88Å; S192-W194 VanDerWaalsContact OG-N 3.14Å; W194-T198 PolarHBondContact O-OG1 3.34Å; W194-L201 HydrophobicContact CD2-CD2 4.41Å; W194-L201 HydrophobicContact CG-CD2 4.47Å; W194-L201 HydrophobicContact CZ2-CD2 4.2Å; W194-L201 VanDerWaalsContact NE1-CD2 3.28Å; W194-N202 HydrophobicContact CE3-CB 3.65Å; W194-N202 VanDerWaalsContact CE3-N 3.27Å; W194-N202 WeakPolarHBondContact CH2-O 3.47Å; W194-N202 HydrophobicContact CZ3-CB 3.7Å; W194-N202 WeakPolarHBondContact CZ3-O 3.45Å; W194-V334 HydrophobicContact CZ2-CB 4.14Å; W194-V336 VanDerWaalsContact CZ2-O 3.22Å; W194-V336 WeakPolarHBondContact CZ2-O 3.28Å; W194-F368 AromaticContact NE1-CE2 3.97Å
195	G	53.2	Low	79.3	Confident	34 Å²	34	44.1 Å²	44.1	35%	0.351	27%	0.273	S	S	.	.			trans	99.7	145.2	-168.7	0	0	0	0	0	111.1	S192 G197 T198	S192-G195 WeakPolarHBondContact CB-O 3.36Å; S192-G195 PolarHBondContact O-N 3.18Å; S192-G195 PolarHBondContact OG-O 3.46Å; G195-G197 PolarHBondContact O-N 2.78Å; G195-T198 PolarHBondContact O-OG1 2.94Å
196	S	46.3	Very low	79.3	Confident	72 Å²	72	44.2 Å²	44.2	50%	0.503	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	136.6	176.2	47.1	0	0	0	0	110.4	T198	S196-T198 VanDerWaalsContact C-N 3.31Å; S196-T198 PolarHBondContact O-N 3.45Å
197	G	47.1	Very low	79.2	Confident	72 Å²	72	43.3 Å²	43.3	74%	0.742	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.9	0.9	175.4	0	0	0	0	0	117	G195	G195-G197 PolarHBondContact O-N 2.78Å
198	T	52.8	Low	79.2	Confident	66 Å²	66	43.2 Å²	43.2	41%	0.405	27%	0.268	S	S	.	.			trans	-108.5	124.5	178.1	67.7	0	0	0	0	112.6	W194 G195 S196 K200	W194-T198 PolarHBondContact O-OG1 3.34Å; G195-T198 PolarHBondContact O-OG1 2.94Å; S196-T198 VanDerWaalsContact C-N 3.31Å; S196-T198 PolarHBondContact O-N 3.45Å; T198-K200 VanDerWaalsContact C-N 3.28Å
199	S	61.6	Low	79.2	Confident	82 Å²	82	43.6 Å²	43.6	57%	0.573	27%	0.269	S	S	*	.			trans	-84.9	-0	169.6	56.6	0	0	0	0	113.5	Q365	S199-Q365 PolarHBondContact O-NE2 2.96Å
200	K	71.6	Confident	79.2	Confident	160 Å²	160	45.2 Å²	45.2	70%	0.696	28%	0.279	S	S	*	.	P	Polyproline II helix	trans	-79.4	123.6	178.4	-81.8	-173.2	175	-179.1	0	110.2	T198	T198-K200 VanDerWaalsContact C-N 3.28Å
201	L	83.5	Confident	79.2	Confident	9 Å²	9	49.1 Å²	49.1	5%	0.047	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-76.3	126.3	171.3	-57.1	175.8	0	0	0	109.5	W194 V336 P338 F368	W194-L201 HydrophobicContact CD2-CD2 4.41Å; W194-L201 HydrophobicContact CG-CD2 4.47Å; W194-L201 HydrophobicContact CZ2-CD2 4.2Å; W194-L201 VanDerWaalsContact NE1-CD2 3.28Å; L201-V336 HydrophobicContact CD1-CG1 4.1Å; L201-P338 HydrophobicContact CB-CG 3.44Å; L201-P338 VanDerWaalsContact CB-CG 3.44Å; L201-P338 HydrophobicContact CD1-CG 3.79Å; L201-P338 HydrophobicContact CG-CG 4.23Å; L201-F368 HydrophobicContact CD1-CB 4.19Å; L201-F368 HydrophobicContact CD2-CB 4.33Å; L201-F368 HydrophobicContact CD2-CD1 4.28Å; L201-F368 HydrophobicContact CD2-CD2 3.65Å; L201-F368 HydrophobicContact CD2-CE2 3.95Å; L201-F368 HydrophobicContact CD2-CG 3.82Å; L201-F368 HydrophobicContact CD2-CZ 4.4Å
202	N	86.1	Confident	79.6	Confident	85 Å²	85	48 Å²	48	46%	0.455	30%	0.295	S	S	.	.	P	Polyproline II helix	trans	-89.7	128.7	173.3	-64.1	-41	0	0	0	109.2	W194	W194-N202 HydrophobicContact CE3-CB 3.65Å; W194-N202 VanDerWaalsContact CE3-N 3.27Å; W194-N202 WeakPolarHBondContact CH2-O 3.47Å; W194-N202 HydrophobicContact CZ3-CB 3.7Å; W194-N202 WeakPolarHBondContact CZ3-O 3.45Å
203	P	92.3	Very high	80.6	Confident	44 Å²	44	49.8 Å²	49.8	29%	0.286	30%	0.304	S	S	.	.	P	Polyproline II helix	trans	-71.9	153.4	179.2	31.7	-36.6	0	0	0	111.4	P338 N340 M358	P203-P338 CarbonylContact C-O 3.56Å; P203-P338 VanDerWaalsContact CA-O 3.27Å; P203-P338 WeakPolarHBondContact CA-O 3.37Å; P203-P338 HydrophobicContact CB-CB 4.37Å; P203-N340 HydrophobicContact CB-CB 3.63Å; P203-N340 HydrophobicContact CG-CB 4.14Å; P203-M358 HydrophobicContact CB-CG 3.85Å; P203-M358 HydrophobicContact CB-SD 3.86Å; P203-M358 HydrophobicContact CG-CG 3.87Å; P203-M358 HydrophobicContact CG-SD 4.14Å
204	V	94.1	Very high	82	Confident	23 Å²	23	44.3 Å²	44.3	14%	0.139	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	149.2	173.3	-60	0	0	0	0	111.7	L206 S245 P338 I339 N340	V204-L206 HydrophobicContact CG2-CD2 4.02Å; V204-S245 WeakPolarHBondContact CB-OG 3.14Å; V204-P338 PolarHBondContact N-O 3.19Å; V204-I339 HydrophobicContact CG2-CD1 3.37Å; V204-I339 WeakPolarHBondContact O-CA 3.48Å; V204-N340 PolarHBondContact O-N 2.72Å; V204-N340 PolarHBondContact O-OD1 3.2Å; V204-N340 VanDerWaalsContact O-OD1 3.07Å
205	A	96.7	Very high	83.6	Confident	18 Å²	18	43.8 Å²	43.8	15%	0.149	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	137.8	169.6	0	0	0	0	0	110.3	C244 S245 K341	A205-C244 WeakPolarHBondContact O-CA 3.41Å; A205-C244 WeakPolarHBondContact O-CB 3.27Å; A205-S245 PolarHBondContact O-N 3.23Å; A205-K341 WeakPolarHBondContact CA-O 3.18Å; A205-K341 HydrophobicContact CB-CB 4.01Å; A205-K341 HydrophobicContact CB-CG 4.37Å
206	L	98.2	Very high	85.7	Confident	1 Å²	1	49.5 Å²	49.5	1%	0.005	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	140.8	-178.9	-55.2	-172.6	0	0	0	111.9	V204 C244 Q246 L248 V260 I339 K341 I342 I343	V204-L206 HydrophobicContact CG2-CD2 4.02Å; L206-C244 PolarHBondContact O-SG 3.2Å; L206-C244 VanDerWaalsContact O-SG 3.37Å; L206-Q246 WeakPolarHBondContact CA-O 3.18Å; L206-Q246 HydrophobicContact CD2-CB 3.74Å; L206-L248 HydrophobicContact CB-CB 4.03Å; L206-L248 HydrophobicContact CD1-CB 4.1Å; L206-L248 HydrophobicContact CD1-CD1 3.98Å; L206-V260 HydrophobicContact CD1-CB 4.36Å; L206-V260 HydrophobicContact CD1-CG1 3.69Å; L206-V260 HydrophobicContact CD1-CG2 3.74Å; L206-V260 HydrophobicContact CD2-CG1 3.33Å; L206-V260 HydrophobicContact CG-CG1 4.16Å; L206-I339 HydrophobicContact CD1-CD1 3.78Å; L206-I339 HydrophobicContact CD1-CG1 3.94Å; L206-I339 HydrophobicContact CD1-CG2 3.77Å; L206-I339 HydrophobicContact CD2-CD1 3.83Å; L206-I339 HydrophobicContact CG-CD1 3.9Å; L206-I339 HydrophobicContact CG-CG1 4.4Å; L206-I339 HydrophobicContact CG-CG2 3.77Å; L206-K341 PolarHBondContact N-O 3.41Å; L206-I342 CarbonylContact O-C 3.53Å; L206-I342 WeakPolarHBondContact O-CA 3.28Å; L206-I343 PolarHBondContact O-N 3.29Å
207	Y	98.4	Very high	88.2	Confident	8 Å²	8	51.8 Å²	51.8	3%	0.031	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	116.3	171.7	-174.1	-114.8	0	0	0	110.5	D209 A238 A239 H242 Q246 N247 L248 I343 K345	Y207-D209 HydrophobicContact CD1-CB 4.26Å; Y207-D209 HydrophobicContact CE1-CB 3.7Å; Y207-A238 HydrophobicContact CE1-CB 4.33Å; Y207-A239 HydrophobicContact CD1-CB 4.12Å; Y207-A239 HydrophobicContact CG-CB 4.13Å; Y207-H242 HydrophobicContact CD2-CB 4.02Å; Y207-H242 AromaticContact CD2-CG 3.95Å; Y207-H242 AromaticContact CD2-ND1 3.88Å; Y207-H242 HydrophobicContact CE2-CB 4.23Å; Y207-H242 AromaticContact CE2-CE1 3.64Å; Y207-H242 AromaticContact CE2-CG 3.65Å; Y207-H242 AromaticContact CE2-ND1 3.36Å; Y207-H242 WeakPolarHBondContact CE2-ND1 3.34Å; Y207-H242 AromaticContact CZ-CE1 3.65Å; Y207-H242 AromaticContact CZ-ND1 3.61Å; Y207-H242 PolarHBondContact OH-CE1 3.24Å; Y207-Q246 PolarHBondContact N-O 3.17Å; Y207-N247 CarbonylContact O-C 3.23Å; Y207-N247 VanDerWaalsContact O-CA 3.3Å; Y207-N247 WeakPolarHBondContact O-CA 3.14Å; Y207-L248 PolarHBondContact O-N 3.38Å; Y207-I343 HydrophobicContact CD2-CB 4.18Å; Y207-I343 HydrophobicContact CD2-CG2 4Å; Y207-I343 HydrophobicContact CE2-CG2 4.26Å; Y207-K345 HydrophobicContact CE2-CB 4.19Å; Y207-K345 WeakPolarHBondContact OH-CD 3.34Å
208	A	98.4	Very high	90.5	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	106.6	-179.6	0	0	0	0	0	109.4	L248 L250 L314 I342 I343 Y344 K345	A208-L248 HydrophobicContact CB-CB 3.99Å; A208-L248 HydrophobicContact CB-CD2 4.09Å; A208-L248 HydrophobicContact CB-CG 4.47Å; A208-L250 HydrophobicContact CB-CD1 4.23Å; A208-L314 HydrophobicContact CB-CD2 3.84Å; A208-I342 HydrophobicContact CB-CG2 3.86Å; A208-I343 PolarHBondContact N-O 2.99Å; A208-Y344 HydrophobicContact CB-CD2 4.27Å; A208-K345 PolarHBondContact O-N 3.49Å
209	D	97.2	Very high	92.6	Very high	14 Å²	14	49 Å²	49	8%	0.075	28%	0.276	C	S	.	.			trans	-122.1	109	177.3	-175.7	-16.1	0	0	0	108.7	Y207 S211 A212 K345	Y207-D209 HydrophobicContact CD1-CB 4.26Å; Y207-D209 HydrophobicContact CE1-CB 3.7Å; D209-S211 PolarHBondContact O-N 3.2Å; D209-S211 VanDerWaalsContact O-N 3.12Å; D209-S211 WeakPolarHBondContact OD1-CB 3.36Å; D209-S211 PolarHBondContact OD1-N 3.46Å; D209-S211 PolarHBondContact OD1-OG 2.77Å; D209-S211 PolarHBondContact OD2-OG 2.94Å; D209-A212 HydrophobicContact CB-CB 4.41Å; D209-A212 WeakPolarHBondContact O-CB 3.23Å; D209-A212 PolarHBondContact O-N 3.19Å; D209-K345 HydrophobicContact CB-CB 4.44Å; D209-K345 HydrophobicContact CB-CD 4.2Å; D209-K345 IonicContact OD1-NZ 3.15Å; D209-K345 WeakPolarHBondContact OD2-CD 3.33Å; D209-K345 IonicContact OD2-NZ 2.74Å; D209-K345 PolarHBondContact OD2-NZ 2.82Å
210	P	96.2	Very high	94.3	Very high	44 Å²	44	46 Å²	46	29%	0.286	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-19.8	-179.5	-23.6	32.4	0	0	0	114.5	A212 L250 E255 Y344 K345	P210-A212 PolarHBondContact O-N 3.36Å; P210-L250 HydrophobicContact CB-CD1 4.27Å; P210-L250 HydrophobicContact CG-CD1 3.79Å; P210-E255 HydrophobicContact CB-CG 4.23Å; P210-E255 HydrophobicContact CG-CG 4.19Å; P210-E255 WeakPolarHBondContact CG-OE1 3.42Å; P210-Y344 HydrophobicContact CG-CE2 3.69Å; P210-K345 VanDerWaalsContact CD-O 3.24Å; P210-K345 WeakPolarHBondContact CD-O 3.21Å
211	S	93.8	Very high	95.6	Very high	83 Å²	83	38.4 Å²	38.4	58%	0.58	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74	-10.5	175.5	70.1	0	0	0	0	113.1	D209	D209-S211 PolarHBondContact O-N 3.2Å; D209-S211 VanDerWaalsContact O-N 3.12Å; D209-S211 WeakPolarHBondContact OD1-CB 3.36Å; D209-S211 PolarHBondContact OD1-N 3.46Å; D209-S211 PolarHBondContact OD1-OG 2.77Å; D209-S211 PolarHBondContact OD2-OG 2.94Å
212	A	94.4	Very high	96.3	Very high	3 Å²	3	41.1 Å²	41.1	3%	0.025	24%	0.238	C	C	.	.			trans	-103.1	116.3	-178.7	0	0	0	0	0	111.3	D209 P210 H235 W249	D209-A212 HydrophobicContact CB-CB 4.41Å; D209-A212 WeakPolarHBondContact O-CB 3.23Å; D209-A212 PolarHBondContact O-N 3.19Å; P210-A212 PolarHBondContact O-N 3.36Å; A212-H235 HydrophobicContact CB-CB 4.33Å; A212-H235 VanDerWaalsContact CB-CE1 3.45Å; A212-H235 WeakPolarHBondContact CB-CE1 3.36Å; A212-H235 VanDerWaalsContact CB-ND1 3.3Å; A212-H235 WeakPolarHBondContact CB-ND1 3.48Å; A212-W249 HydrophobicContact CB-CE3 4.48Å; A212-W249 HydrophobicContact CB-CZ3 4.03Å
213	V	97.3	Very high	96.8	Very high	69 Å²	69	37.2 Å²	37.2	42%	0.418	22%	0.218	S	C	.	.			trans	-114	122.5	-179.6	179.4	0	0	0	0	110.2	A215 F251	V213-A215 WeakPolarHBondContact CG1-O 3.42Å; V213-F251 HydrophobicContact CG1-CD2 4.07Å; V213-F251 HydrophobicContact CG1-CE2 4.39Å
214	R	98.2	Very high	97.1	Very high	24 Å²	24	36.1 Å²	36.1	9%	0.091	21%	0.209	C	C	.	.	S	Bend	trans	-76.9	-40.6	178	-161.3	-164.3	72.5	72.5	-9.7	112.9	G221 T232 W249 E259 L286	R214-G221 PolarHBondContact NH2-O 2.9Å; R214-T232 HydrophobicContact CG-CG2 4.33Å; R214-W249 HydrophobicContact CB-CB 4.07Å; R214-W249 HydrophobicContact CB-CD2 3.58Å; R214-W249 HydrophobicContact CB-CE3 3.83Å; R214-W249 HydrophobicContact CB-CG 3.69Å; R214-W249 HydrophobicContact CB-CZ3 4.47Å; R214-W249 HydrophobicContact CG-CD2 3.93Å; R214-W249 HydrophobicContact CG-CE3 4.47Å; R214-W249 HydrophobicContact CG-CG 4.08Å; R214-W249 HydrophobicContact CG-CZ2 4.37Å; R214-E259 IonicContact CZ-OE1 2.85Å; R214-E259 VanDerWaalsContact CZ-OE1 3.23Å; R214-E259 IonicContact NE-OE1 3.43Å; R214-E259 PolarHBondContact NE-OE1 2.77Å; R214-E259 IonicContact NH2-OE1 2.58Å; R214-E259 PolarHBondContact NH2-OE1 3.28Å; R214-L286 PolarHBondContact NH2-O 3.07Å
215	A	98.2	Very high	97.3	Very high	8 Å²	8	36 Å²	36	7%	0.066	21%	0.206	C	C	.	.			trans	-156.4	162.8	-173	0	0	0	0	0	109.9	V213 F251	V213-A215 WeakPolarHBondContact CG1-O 3.42Å; A215-F251 VanDerWaalsContact O-CD2 3.29Å; A215-F251 WeakPolarHBondContact O-CD2 3.41Å; A215-F251 WeakPolarHBondContact O-CE2 3.4Å
216	W	98.1	Very high	97.4	Very high	155 Å²	155	35.6 Å²	35.6	59%	0.587	20%	0.204	S	C	*	.			trans	-140.1	160	179.3	57	93.8	0	0	0	111.1	G218 G219 F251 L286	W216-G218 PolarHBondContact O-N 2.82Å; W216-G219 WeakPolarHBondContact O-CA 3.43Å; W216-G219 PolarHBondContact O-N 2.93Å; W216-F251 HydrophobicContact CB-CE2 3.88Å; W216-F251 HydrophobicContact CB-CZ 4.5Å; W216-L286 VanDerWaalsContact CA-CD2 3.43Å
217	Y	97.4	Very high	97.4	Very high	119 Å²	119	37.7 Å²	37.7	47%	0.467	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	135.8	176.1	-65.8	-59.1	0	0	0	111.3	G219 F251 D284 L286	Y217-G219 PolarHBondContact O-N 2.97Å; Y217-F251 AromaticContact CD2-CE1 3.7Å; Y217-F251 HydrophobicContact CD2-CE1 3.7Å; Y217-F251 AromaticContact CD2-CZ 3.78Å; Y217-F251 HydrophobicContact CD2-CZ 3.78Å; Y217-F251 HydrophobicContact CE2-CD1 4.21Å; Y217-F251 AromaticContact CE2-CE1 3.39Å; Y217-F251 HydrophobicContact CE2-CE1 3.39Å; Y217-F251 AromaticContact CE2-CZ 3.98Å; Y217-F251 HydrophobicContact CE2-CZ 3.98Å; Y217-D284 HydrophobicContact CE1-CB 4.15Å; Y217-D284 PolarHBondContact OH-OD2 3.34Å; Y217-L286 HydrophobicContact CD1-CD1 4.41Å; Y217-L286 HydrophobicContact CD1-CD2 4.12Å; Y217-L286 HydrophobicContact CD1-CG 3.94Å; Y217-L286 HydrophobicContact CE1-CD1 3.73Å; Y217-L286 HydrophobicContact CE1-CD2 4.26Å; Y217-L286 HydrophobicContact CE1-CG 3.64Å; Y217-L286 HydrophobicContact CE2-CD1 4.28Å; Y217-L286 HydrophobicContact CG-CD2 4.37Å
218	G	96.3	Very high	97.4	Very high	70 Å²	70	38.2 Å²	38.2	72%	0.722	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.6	-7.9	-171.2	0	0	0	0	0	114.2	R126 W216	R126-G218 PolarHBondContact NH2-O 2.68Å; W216-G218 PolarHBondContact O-N 2.82Å
219	G	97.1	Very high	97.4	Very high	10 Å²	10	40.7 Å²	40.7	10%	0.103	23%	0.232	C	C	.	.	S	Bend	trans	-76.1	-166.6	171.2	0	0	0	0	0	113.3	R126 W216 Y217	R126-G219 VanDerWaalsContact NH2-C 3.31Å; R126-G219 PolarHBondContact NH2-O 2.98Å; W216-G219 WeakPolarHBondContact O-CA 3.43Å; W216-G219 PolarHBondContact O-N 2.93Å; Y217-G219 PolarHBondContact O-N 2.97Å
220	A	97.5	Very high	97.4	Very high	18 Å²	18	43.2 Å²	43.2	15%	0.149	26%	0.255	C	S	.	.	S	Bend	trans	-107.3	17.9	-176.3	0	0	0	0	0	113.6	R126 N222 A223 M225 N228	R126-A220 HydrophobicContact CG-CB 4.15Å; A220-N222 PolarHBondContact O-N 3.47Å; A220-N222 VanDerWaalsContact O-N 3.12Å; A220-A223 PolarHBondContact O-N 3.36Å; A220-M225 HydrophobicContact CB-SD 3.85Å; A220-N228 PolarHBondContact O-ND2 3.11Å
221	G	97.8	Very high	97.4	Very high	1 Å²	1	45.1 Å²	45.1	1%	0.01	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-29.1	-172.5	0	0	0	0	0	114.7	R214 A223	R214-G221 PolarHBondContact NH2-O 2.9Å; G221-A223 VanDerWaalsContact C-N 3.34Å
222	N	97.9	Very high	97.6	Very high	66 Å²	66	42.5 Å²	42.5	35%	0.353	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	0.6	176.8	68.2	-16	0	0	0	115	A220 G285 I287 P289	A220-N222 PolarHBondContact O-N 3.47Å; A220-N222 VanDerWaalsContact O-N 3.12Å; N222-G285 PolarHBondContact N-O 3.36Å; N222-I287 WeakPolarHBondContact CA-O 3.48Å; N222-I287 WeakPolarHBondContact CB-O 3.1Å; N222-P289 VanDerWaalsContact O-CD 3.25Å; N222-P289 WeakPolarHBondContact O-CD 3.43Å
223	A	98.2	Very high	97.7	Very high	4 Å²	4	47.6 Å²	47.6	3%	0.033	27%	0.274	C	S	.	.	S	Bend	trans	-110.5	149.8	175.1	0	0	0	0	0	111.1	R126 A220 G221 M225 N228	R126-A223 HydrophobicContact CB-CB 4.1Å; R126-A223 HydrophobicContact CG-CB 4.06Å; A220-A223 PolarHBondContact O-N 3.36Å; G221-A223 VanDerWaalsContact C-N 3.34Å; A223-M225 HydrophobicContact CB-CG 4.02Å; A223-M225 HydrophobicContact CB-SD 4.46Å; A223-M225 PolarHBondContact O-N 3.33Å; A223-N228 PolarHBondContact O-ND2 3.33Å
224	K	98.4	Very high	97.7	Very high	21 Å²	21	53 Å²	53	9%	0.091	29%	0.288	C	S	.	.			trans	-89.6	53.8	-179.3	-156.4	162.8	178.5	63.2	0	111.6	I94 F95 S123 Y229 L288	I94-K224 WeakPolarHBondContact CA-O 3.36Å; F95-K224 HydrophobicContact CD1-CG 4.37Å; F95-K224 WeakPolarHBondContact CD1-O 3.38Å; F95-K224 HydrophobicContact CD2-CD 4.33Å; F95-K224 HydrophobicContact CD2-CG 4.24Å; F95-K224 HydrophobicContact CE1-CG 4.15Å; F95-K224 HydrophobicContact CE2-CD 4.2Å; F95-K224 HydrophobicContact CE2-CG 4.05Å; F95-K224 HydrophobicContact CG-CG 4.42Å; F95-K224 HydrophobicContact CZ-CG 4.01Å; F95-K224 PolarHBondContact N-O 2.93Å; F95-K224 VanDerWaalsContact N-O 3.09Å; F95-K224 WeakPolarHBondContact O-CB 3.42Å; F95-K224 VanDerWaalsContact O-CD 3.27Å; F95-K224 WeakPolarHBondContact O-CD 3.49Å; F95-K224 WeakPolarHBondContact O-CG 3.35Å; S123-K224 PolarHBondContact OG-N 3.48Å; K224-Y229 HydrophobicContact CG-CE2 4.48Å; K224-Y229 WeakPolarHBondContact CG-OH 3.42Å; K224-Y229 PolarHBondContact NZ-OH 3.29Å; K224-L288 HydrophobicContact CB-CD1 4.27Å; K224-L288 HydrophobicContact CD-CD2 4.42Å; K224-L288 HydrophobicContact CG-CD2 4.47Å
225	M	98.4	Very high	97.7	Very high	19 Å²	19	53.8 Å²	53.8	9%	0.094	29%	0.293	C	S	.	.	B	Isolated β-bridge	trans	-85.7	141.6	179.2	-66.8	-174.9	67.1	0	0	111.5	Q93 I94 R126 C127 A220 A223 S227 N228 Y229	Q93-M225 WeakPolarHBondContact O-CA 3.47Å; I94-M225 HydrophobicContact CG2-CG 3.91Å; R126-M225 HydrophobicContact CB-SD 4.32Å; R126-M225 HydrophobicContact CG-SD 3.87Å; C127-M225 HydrophobicContact CB-CE 3.55Å; C127-M225 HydrophobicContact CB-SD 4.26Å; A220-M225 HydrophobicContact CB-SD 3.85Å; A223-M225 HydrophobicContact CB-CG 4.02Å; A223-M225 HydrophobicContact CB-SD 4.46Å; A223-M225 PolarHBondContact O-N 3.33Å; M225-S227 PolarHBondContact O-N 2.88Å; M225-N228 WeakPolarHBondContact O-CB 3.35Å; M225-N228 PolarHBondContact O-N 3.13Å; M225-N228 VanDerWaalsContact O-N 3.12Å; M225-Y229 WeakPolarHBondContact O-CD2 3.31Å; M225-Y229 WeakPolarHBondContact O-CE2 3.4Å
226	G	98.2	Very high	97.6	Very high	10 Å²	10	55.3 Å²	55.3	10%	0.103	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-59.2	-31.5	178.3	0	0	0	0	0	113.6	Q93 N228 Y229 A230	Q93-G226 PolarHBondContact O-N 3.09Å; Q93-G226 VanDerWaalsContact O-N 3.12Å; G226-N228 PolarHBondContact O-N 2.84Å; G226-N228 VanDerWaalsContact O-N 3.15Å; G226-Y229 PolarHBondContact O-N 2.76Å; G226-A230 PolarHBondContact O-N 2.98Å
227	S	97.6	Very high	97.6	Very high	45 Å²	45	50.3 Å²	50.3	32%	0.315	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-59.5	-22.7	176.8	54.6	0	0	0	0	114.2	M225 Y229 P231	M225-S227 PolarHBondContact O-N 2.88Å; S227-Y229 VanDerWaalsContact C-N 3.3Å; S227-Y229 PolarHBondContact O-N 2.6Å; S227-P231 WeakPolarHBondContact O-CD 3.34Å; S227-P231 WeakPolarHBondContact O-CG 3.25Å
228	N	98.3	Very high	97.5	Very high	19 Å²	19	45.9 Å²	45.9	10%	0.102	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-81	-7.7	178	-64.1	-29.3	0	0	0	113.7	A220 A223 M225 G226 T232	A220-N228 PolarHBondContact O-ND2 3.11Å; A223-N228 PolarHBondContact O-ND2 3.33Å; M225-N228 WeakPolarHBondContact O-CB 3.35Å; M225-N228 PolarHBondContact O-N 3.13Å; M225-N228 VanDerWaalsContact O-N 3.12Å; G226-N228 PolarHBondContact O-N 2.84Å; G226-N228 VanDerWaalsContact O-N 3.15Å; N228-T232 WeakPolarHBondContact O-CG2 3.49Å
229	Y	97.9	Very high	97.5	Very high	53 Å²	53	42.6 Å²	42.6	21%	0.208	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.4	-45.6	-172.3	-63	-96.4	0	0	0	112	F95 K224 M225 G226 S227 T232 A262	F95-Y229 AromaticContact CE1-CD2 3.63Å; F95-Y229 HydrophobicContact CE1-CD2 3.63Å; F95-Y229 AromaticContact CE1-CE2 3.38Å; F95-Y229 HydrophobicContact CE1-CE2 3.38Å; F95-Y229 HydrophobicContact CE1-CG 4.37Å; F95-Y229 AromaticContact CE1-CZ 3.91Å; F95-Y229 HydrophobicContact CZ-CD1 4.24Å; F95-Y229 AromaticContact CZ-CD2 3.82Å; F95-Y229 HydrophobicContact CZ-CD2 3.82Å; F95-Y229 AromaticContact CZ-CE1 3.84Å; F95-Y229 HydrophobicContact CZ-CE1 3.84Å; F95-Y229 AromaticContact CZ-CE2 3.41Å; F95-Y229 HydrophobicContact CZ-CE2 3.41Å; F95-Y229 VanDerWaalsContact CZ-CE2 3.41Å; F95-Y229 HydrophobicContact CZ-CG 4.24Å; F95-Y229 AromaticContact CZ-CZ 3.41Å; F95-Y229 VanDerWaalsContact CZ-CZ 3.41Å; K224-Y229 HydrophobicContact CG-CE2 4.48Å; K224-Y229 WeakPolarHBondContact CG-OH 3.42Å; K224-Y229 PolarHBondContact NZ-OH 3.29Å; M225-Y229 WeakPolarHBondContact O-CD2 3.31Å; M225-Y229 WeakPolarHBondContact O-CE2 3.4Å; G226-Y229 PolarHBondContact O-N 2.76Å; S227-Y229 VanDerWaalsContact C-N 3.3Å; S227-Y229 PolarHBondContact O-N 2.6Å; Y229-T232 WeakPolarHBondContact O-CB 3.3Å; Y229-T232 PolarHBondContact O-N 2.58Å; Y229-T232 PolarHBondContact O-OG1 2.97Å; Y229-A262 HydrophobicContact CE1-CB 4.41Å
230	A	97.3	Very high	97.5	Very high	67 Å²	67	47.3 Å²	47.3	55%	0.554	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-43.6	-176.3	0	0	0	0	0	113.7	G226 T232 L233	G226-A230 PolarHBondContact O-N 2.98Å; A230-T232 PolarHBondContact O-N 3.37Å; A230-T232 VanDerWaalsContact O-N 3.17Å; A230-L233 WeakPolarHBondContact O-CG 3.48Å; A230-L233 PolarHBondContact O-N 3.12Å
231	P	97.2	Very high	97.5	Very high	84 Å²	84	55 Å²	55	55%	0.545	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-22.3	177	-23.6	35.9	0	0	0	114.1	S227 L233	S227-P231 WeakPolarHBondContact O-CD 3.34Å; S227-P231 WeakPolarHBondContact O-CG 3.25Å; P231-L233 PolarHBondContact O-N 3.35Å
232	T	97.9	Very high	97.3	Very high	27 Å²	27	58.6 Å²	58.6	17%	0.166	31%	0.311	C	S	.	.	H	α-helix	trans	-71.5	-21	-177.5	72.8	0	0	0	0	113	R214 N228 Y229 A230 Y234 H235 L236 W249	R214-T232 HydrophobicContact CG-CG2 4.33Å; N228-T232 WeakPolarHBondContact O-CG2 3.49Å; Y229-T232 WeakPolarHBondContact O-CB 3.3Å; Y229-T232 PolarHBondContact O-N 2.58Å; Y229-T232 PolarHBondContact O-OG1 2.97Å; A230-T232 PolarHBondContact O-N 3.37Å; A230-T232 VanDerWaalsContact O-N 3.17Å; T232-Y234 VanDerWaalsContact C-N 3.3Å; T232-Y234 PolarHBondContact O-N 3.11Å; T232-H235 PolarHBondContact O-N 2.81Å; T232-H235 VanDerWaalsContact O-N 3.13Å; T232-L236 PolarHBondContact O-N 3.38Å; T232-W249 HydrophobicContact CG2-CH2 3.93Å; T232-W249 HydrophobicContact CG2-CZ2 3.75Å
233	L	97.5	Very high	97.2	Very high	111 Å²	111	58.6 Å²	58.6	58%	0.581	33%	0.326	S	S	*	.	H	α-helix	trans	-63.1	-34.9	-176.6	-60.8	-179.5	0	0	0	112.7	A230 P231 H235 L236 A237	A230-L233 WeakPolarHBondContact O-CG 3.48Å; A230-L233 PolarHBondContact O-N 3.12Å; P231-L233 PolarHBondContact O-N 3.35Å; L233-H235 VanDerWaalsContact C-N 3.34Å; L233-H235 PolarHBondContact O-N 3.35Å; L233-L236 PolarHBondContact O-N 2.98Å; L233-A237 PolarHBondContact O-N 3.22Å
234	Y	97.2	Very high	97.1	Very high	183 Å²	183	58.5 Å²	58.5	72%	0.718	33%	0.325	S	S	*	.	H	α-helix	trans	-59.8	-45.5	174.6	176	-96.2	0	0	0	111.4	T232 A237 A238	T232-Y234 VanDerWaalsContact C-N 3.3Å; T232-Y234 PolarHBondContact O-N 3.11Å; Y234-A237 PolarHBondContact O-N 2.66Å; Y234-A238 PolarHBondContact O-N 3Å
235	H	97.3	Very high	96.8	Very high	39 Å²	39	59.6 Å²	59.6	18%	0.181	34%	0.336	C	S	.	.	H	α-helix	trans	-74.5	-30.9	179.5	-59.1	-64.6	0	0	0	112.7	A212 T232 L233 A238 A239 N247 W249	A212-H235 HydrophobicContact CB-CB 4.33Å; A212-H235 VanDerWaalsContact CB-CE1 3.45Å; A212-H235 WeakPolarHBondContact CB-CE1 3.36Å; A212-H235 VanDerWaalsContact CB-ND1 3.3Å; A212-H235 WeakPolarHBondContact CB-ND1 3.48Å; T232-H235 PolarHBondContact O-N 2.81Å; T232-H235 VanDerWaalsContact O-N 3.13Å; L233-H235 VanDerWaalsContact C-N 3.34Å; L233-H235 PolarHBondContact O-N 3.35Å; H235-A238 WeakPolarHBondContact O-CB 3.34Å; H235-A238 PolarHBondContact O-N 2.81Å; H235-A239 PolarHBondContact O-N 3.1Å; H235-N247 PolarHBondContact O-ND2 3.32Å; H235-N247 PolarHBondContact O-OD1 3.05Å; H235-W249 HydrophobicContact CB-CH2 3.86Å; H235-W249 HydrophobicContact CB-CZ3 4.09Å
236	L	96.7	Very high	96.6	Very high	40 Å²	40	60.8 Å²	60.8	21%	0.209	34%	0.341	C	S	.	.	H	α-helix	trans	-65.4	-41.5	173.3	-177.5	61.6	0	0	0	111.3	T232 L233 A238 A239 H240 S245 N247	T232-L236 PolarHBondContact O-N 3.38Å; L233-L236 PolarHBondContact O-N 2.98Å; L236-A238 VanDerWaalsContact C-N 3.26Å; L236-A238 PolarHBondContact O-N 3.28Å; L236-A239 WeakPolarHBondContact O-CB 3.47Å; L236-A239 PolarHBondContact O-N 3.04Å; L236-A239 VanDerWaalsContact O-N 3.11Å; L236-H240 PolarHBondContact O-N 3.45Å; L236-S245 WeakPolarHBondContact CD1-O 3.26Å; L236-N247 VanDerWaalsContact CA-OD1 3.3Å; L236-N247 WeakPolarHBondContact CA-OD1 3.24Å; L236-N247 PolarHBondContact N-OD1 2.84Å
237	A	97.4	Very high	96.6	Very high	50 Å²	50	60.6 Å²	60.6	41%	0.413	34%	0.338	S	S	.	.	H	α-helix	trans	-60.6	-37	173.8	0	0	0	0	0	111.9	L233 Y234 K241	L233-A237 PolarHBondContact O-N 3.22Å; Y234-A237 PolarHBondContact O-N 2.66Å; A237-K241 WeakPolarHBondContact O-CG 3.45Å; A237-K241 PolarHBondContact O-N 2.93Å
238	A	95.7	Very high	96.7	Very high	27 Å²	27	58.6 Å²	58.6	22%	0.223	32%	0.324	C	S	.	.	H	α-helix	trans	-67.5	-38	173.2	0	0	0	0	0	112.6	Y207 Y234 H235 L236 K241 H242	Y207-A238 HydrophobicContact CE1-CB 4.33Å; Y234-A238 PolarHBondContact O-N 3Å; H235-A238 WeakPolarHBondContact O-CB 3.34Å; H235-A238 PolarHBondContact O-N 2.81Å; L236-A238 VanDerWaalsContact C-N 3.26Å; L236-A238 PolarHBondContact O-N 3.28Å; A238-K241 PolarHBondContact O-N 3.26Å; A238-H242 PolarHBondContact O-ND1 2.85Å
239	A	97	Very high	96.7	Very high	0 Å²	0	58 Å²	58	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-61.9	-44.5	174.5	0	0	0	0	0	111.7	Y207 H235 L236 K241 H242 G243 C244	Y207-A239 HydrophobicContact CD1-CB 4.12Å; Y207-A239 HydrophobicContact CG-CB 4.13Å; H235-A239 PolarHBondContact O-N 3.1Å; L236-A239 WeakPolarHBondContact O-CB 3.47Å; L236-A239 PolarHBondContact O-N 3.04Å; L236-A239 VanDerWaalsContact O-N 3.11Å; A239-K241 VanDerWaalsContact C-N 3.27Å; A239-K241 PolarHBondContact O-N 3.28Å; A239-H242 CarbonylContact O-C 3.49Å; A239-H242 WeakPolarHBondContact O-CA 3.41Å; A239-H242 PolarHBondContact O-N 2.73Å; A239-G243 PolarHBondContact O-N 3.28Å; A239-C244 CarbonylContact C-O 3.5Å; A239-C244 VanDerWaalsContact C-O 3.23Å; A239-C244 HydrophobicContact CB-CB 4.12Å; A239-C244 PolarHBondContact O-N 2.85Å; A239-C244 VanDerWaalsContact O-N 3.08Å
240	H	96.8	Very high	96.7	Very high	110 Å²	110	55.6 Å²	55.6	51%	0.509	31%	0.311	S	S	.	.	H	α-helix	trans	-58.7	-37.3	178.2	-69.3	172.3	0	0	0	112.6	L236 H242 G243 C244	L236-H240 PolarHBondContact O-N 3.45Å; H240-H242 PolarHBondContact O-N 3.33Å; H240-G243 PolarHBondContact O-N 3.19Å; H240-C244 WeakPolarHBondContact CA-O 3.22Å; H240-C244 PolarHBondContact CD2-O 2.8Å; H240-C244 PolarHBondContact N-O 3.43Å
241	K	96.2	Very high	96.7	Very high	180 Å²	180	54.1 Å²	54.1	78%	0.783	29%	0.292	S	S	*	.	H	α-helix	trans	-61.8	-21.7	175.9	-69.7	176.5	-178.4	-178.9	0	113.4	A237 A238 A239	A237-K241 WeakPolarHBondContact O-CG 3.45Å; A237-K241 PolarHBondContact O-N 2.93Å; A238-K241 PolarHBondContact O-N 3.26Å; A239-K241 VanDerWaalsContact C-N 3.27Å; A239-K241 PolarHBondContact O-N 3.28Å
242	H	95.3	Very high	96.7	Very high	75 Å²	75	51.7 Å²	51.7	35%	0.347	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.2	11.1	176.9	-62.4	94	0	0	0	112.8	Y207 A238 A239 H240 C244 I343	Y207-H242 HydrophobicContact CD2-CB 4.02Å; Y207-H242 AromaticContact CD2-CG 3.95Å; Y207-H242 AromaticContact CD2-ND1 3.88Å; Y207-H242 HydrophobicContact CE2-CB 4.23Å; Y207-H242 AromaticContact CE2-CE1 3.64Å; Y207-H242 AromaticContact CE2-CG 3.65Å; Y207-H242 AromaticContact CE2-ND1 3.36Å; Y207-H242 WeakPolarHBondContact CE2-ND1 3.34Å; Y207-H242 AromaticContact CZ-CE1 3.65Å; Y207-H242 AromaticContact CZ-ND1 3.61Å; Y207-H242 PolarHBondContact OH-CE1 3.24Å; A238-H242 PolarHBondContact O-ND1 2.85Å; A239-H242 CarbonylContact O-C 3.49Å; A239-H242 WeakPolarHBondContact O-CA 3.41Å; A239-H242 PolarHBondContact O-N 2.73Å; H240-H242 PolarHBondContact O-N 3.33Å; H242-C244 PolarHBondContact O-N 3.24Å; H242-I343 HydrophobicContact CB-CD1 4.14Å; H242-I343 WeakPolarHBondContact O-CD1 3.32Å
243	G	95.2	Very high	96.6	Very high	66 Å²	66	56.2 Å²	56.2	68%	0.68	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.8	13.6	-177.9	0	0	0	0	0	114.1	A239 H240	A239-G243 PolarHBondContact O-N 3.28Å; H240-G243 PolarHBondContact O-N 3.19Å
244	C	96.6	Very high	96.5	Very high	2 Å²	2	55.9 Å²	55.9	1%	0.014	31%	0.308	C	S	.	.			trans	-93	138.1	173.8	-66.4	0	0	0	0	109.9	A205 L206 A239 H240 H242 I343	A205-C244 WeakPolarHBondContact O-CA 3.41Å; A205-C244 WeakPolarHBondContact O-CB 3.27Å; L206-C244 PolarHBondContact O-SG 3.2Å; L206-C244 VanDerWaalsContact O-SG 3.37Å; A239-C244 CarbonylContact C-O 3.5Å; A239-C244 VanDerWaalsContact C-O 3.23Å; A239-C244 HydrophobicContact CB-CB 4.12Å; A239-C244 PolarHBondContact O-N 2.85Å; A239-C244 VanDerWaalsContact O-N 3.08Å; H240-C244 WeakPolarHBondContact CA-O 3.22Å; H240-C244 PolarHBondContact CD2-O 2.8Å; H240-C244 PolarHBondContact N-O 3.43Å; H242-C244 PolarHBondContact O-N 3.24Å; C244-I343 WeakPolarHBondContact SG-CD1 3.27Å
245	S	90.7	Very high	96.5	Very high	45 Å²	45	48.4 Å²	48.4	32%	0.315	28%	0.279	S	S	.	.	S	Bend	trans	-89.2	-12.9	178.5	62.7	0	0	0	0	113.3	V204 A205 L236	V204-S245 WeakPolarHBondContact CB-OG 3.14Å; A205-S245 PolarHBondContact O-N 3.23Å; L236-S245 WeakPolarHBondContact CD1-O 3.26Å
246	Q	95.4	Very high	96.5	Very high	44 Å²	44	47.8 Å²	47.8	21%	0.206	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	157.4	-177	-63.5	-67	-61.9	0	0	110.7	L206 Y207 V260 M263	L206-Q246 WeakPolarHBondContact CA-O 3.18Å; L206-Q246 HydrophobicContact CD2-CB 3.74Å; Y207-Q246 PolarHBondContact N-O 3.17Å; Q246-V260 HydrophobicContact CB-CG1 4.17Å; Q246-M263 HydrophobicContact CG-CE 4.36Å
247	N	98	Very high	96.6	Very high	5 Å²	5	46 Å²	46	3%	0.027	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	144.7	169.8	-61.7	83.5	0	0	0	110.8	Y207 H235 L236 W249 V260 G261	Y207-N247 CarbonylContact O-C 3.23Å; Y207-N247 VanDerWaalsContact O-CA 3.3Å; Y207-N247 WeakPolarHBondContact O-CA 3.14Å; H235-N247 PolarHBondContact O-ND2 3.32Å; H235-N247 PolarHBondContact O-OD1 3.05Å; L236-N247 VanDerWaalsContact CA-OD1 3.3Å; L236-N247 WeakPolarHBondContact CA-OD1 3.24Å; L236-N247 PolarHBondContact N-OD1 2.84Å; N247-W249 HydrophobicContact CB-CD2 4.17Å; N247-W249 HydrophobicContact CB-CE3 4.36Å; N247-W249 HydrophobicContact CB-CH2 4.11Å; N247-W249 HydrophobicContact CB-CZ2 3.89Å; N247-W249 HydrophobicContact CB-CZ3 4.35Å; N247-V260 CarbonylContact O-C 3.53Å; N247-V260 WeakPolarHBondContact O-CA 3.2Å; N247-G261 PolarHBondContact O-N 3.49Å
248	L	98.5	Very high	96.6	Very high	4 Å²	4	44 Å²	44	2%	0.021	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	113.5	158.6	-178	64.4	0	0	0	107.4	L206 Y207 A208 L250 I257 V260 L265 L314 I342	L206-L248 HydrophobicContact CB-CB 4.03Å; L206-L248 HydrophobicContact CD1-CB 4.1Å; L206-L248 HydrophobicContact CD1-CD1 3.98Å; Y207-L248 PolarHBondContact O-N 3.38Å; A208-L248 HydrophobicContact CB-CB 3.99Å; A208-L248 HydrophobicContact CB-CD2 4.09Å; A208-L248 HydrophobicContact CB-CG 4.47Å; L248-L250 HydrophobicContact CD2-CD2 4.36Å; L248-L250 HydrophobicContact CG-CD2 4.25Å; L248-I257 HydrophobicContact CD1-CG2 3.58Å; L248-I257 HydrophobicContact CD2-CG1 4.48Å; L248-I257 HydrophobicContact CD2-CG2 4.49Å; L248-I257 HydrophobicContact CG-CG2 4.2Å; L248-V260 HydrophobicContact CD1-CG2 4.05Å; L248-L265 HydrophobicContact CD1-CD2 4.37Å; L248-L314 HydrophobicContact CD2-CD1 3.84Å; L248-I342 HydrophobicContact CD2-CD1 4Å; L248-I342 HydrophobicContact CD2-CG1 4.49Å; L248-I342 HydrophobicContact CD2-CG2 4.17Å
249	W	98.5	Very high	96.7	Very high	5 Å²	5	42.9 Å²	42.9	2%	0.019	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	124.5	-176.2	-61.8	113.7	0	0	0	110.9	A212 R214 T232 H235 N247 T258 E259 G261	A212-W249 HydrophobicContact CB-CE3 4.48Å; A212-W249 HydrophobicContact CB-CZ3 4.03Å; R214-W249 HydrophobicContact CB-CB 4.07Å; R214-W249 HydrophobicContact CB-CD2 3.58Å; R214-W249 HydrophobicContact CB-CE3 3.83Å; R214-W249 HydrophobicContact CB-CG 3.69Å; R214-W249 HydrophobicContact CB-CZ3 4.47Å; R214-W249 HydrophobicContact CG-CD2 3.93Å; R214-W249 HydrophobicContact CG-CE3 4.47Å; R214-W249 HydrophobicContact CG-CG 4.08Å; R214-W249 HydrophobicContact CG-CZ2 4.37Å; T232-W249 HydrophobicContact CG2-CH2 3.93Å; T232-W249 HydrophobicContact CG2-CZ2 3.75Å; H235-W249 HydrophobicContact CB-CH2 3.86Å; H235-W249 HydrophobicContact CB-CZ3 4.09Å; N247-W249 HydrophobicContact CB-CD2 4.17Å; N247-W249 HydrophobicContact CB-CE3 4.36Å; N247-W249 HydrophobicContact CB-CH2 4.11Å; N247-W249 HydrophobicContact CB-CZ2 3.89Å; N247-W249 HydrophobicContact CB-CZ3 4.35Å; W249-T258 WeakPolarHBondContact CB-OG1 3.28Å; W249-T258 PolarHBondContact O-N 2.7Å; W249-T258 PolarHBondContact O-OG1 2.96Å; W249-E259 PolarHBondContact N-O 3.17Å; W249-G261 VanDerWaalsContact NE1-CA 3.34Å; W249-G261 PolarHBondContact NE1-O 3.22Å
250	L	98.1	Very high	96.7	Very high	3 Å²	3	42.9 Å²	42.9	2%	0.016	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	152.2	177.9	-53.5	177.5	0	0	0	109.8	A208 P210 L248 E255 I256 I257 L314	A208-L250 HydrophobicContact CB-CD1 4.23Å; P210-L250 HydrophobicContact CB-CD1 4.27Å; P210-L250 HydrophobicContact CG-CD1 3.79Å; L248-L250 HydrophobicContact CD2-CD2 4.36Å; L248-L250 HydrophobicContact CG-CD2 4.25Å; L250-E255 HydrophobicContact CD1-CB 4.28Å; L250-E255 HydrophobicContact CD1-CG 4.47Å; L250-I256 CarbonylContact C-O 3.59Å; L250-I256 VanDerWaalsContact CA-O 3.28Å; L250-I256 WeakPolarHBondContact CA-O 3.35Å; L250-I257 HydrophobicContact CD2-CG1 3.99Å; L250-L314 HydrophobicContact CD1-CD2 3.55Å; L250-L314 HydrophobicContact CD2-CB 3.91Å; L250-L314 HydrophobicContact CD2-CD2 3.95Å; L250-L314 HydrophobicContact CD2-CG 4.42Å; L250-L314 HydrophobicContact CG-CD2 4.37Å
251	F	98	Very high	96.7	Very high	37 Å²	37	38.2 Å²	38.2	16%	0.162	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	137.2	178	-176.3	-94	0	0	0	111.5	V213 A215 W216 Y217 I256 T258 L286	V213-F251 HydrophobicContact CG1-CD2 4.07Å; V213-F251 HydrophobicContact CG1-CE2 4.39Å; A215-F251 VanDerWaalsContact O-CD2 3.29Å; A215-F251 WeakPolarHBondContact O-CD2 3.41Å; A215-F251 WeakPolarHBondContact O-CE2 3.4Å; W216-F251 HydrophobicContact CB-CE2 3.88Å; W216-F251 HydrophobicContact CB-CZ 4.5Å; Y217-F251 AromaticContact CD2-CE1 3.7Å; Y217-F251 HydrophobicContact CD2-CE1 3.7Å; Y217-F251 AromaticContact CD2-CZ 3.78Å; Y217-F251 HydrophobicContact CD2-CZ 3.78Å; Y217-F251 HydrophobicContact CE2-CD1 4.21Å; Y217-F251 AromaticContact CE2-CE1 3.39Å; Y217-F251 HydrophobicContact CE2-CE1 3.39Å; Y217-F251 AromaticContact CE2-CZ 3.98Å; Y217-F251 HydrophobicContact CE2-CZ 3.98Å; F251-I256 HydrophobicContact CB-CB 4.5Å; F251-I256 PolarHBondContact N-O 3.45Å; F251-I256 WeakPolarHBondContact O-CB 3.42Å; F251-I256 PolarHBondContact O-N 2.81Å; F251-T258 HydrophobicContact CB-CG2 3.79Å; F251-L286 HydrophobicContact CB-CD1 4.23Å; F251-L286 HydrophobicContact CD1-CD1 3.7Å; F251-L286 HydrophobicContact CD2-CD1 4.31Å; F251-L286 HydrophobicContact CD2-CD2 4.04Å; F251-L286 HydrophobicContact CE1-CD1 4.17Å; F251-L286 HydrophobicContact CE2-CD2 4.02Å; F251-L286 HydrophobicContact CG-CD1 3.78Å; F251-L286 HydrophobicContact CG-CD2 4.34Å; F251-L286 HydrophobicContact CZ-CD2 4.3Å
252	G	96.7	Very high	96.7	Very high	33 Å²	33	32.7 Å²	32.7	34%	0.34	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.7	171.9	174.1	0	0	0	0	0	114.4	E254 E255	G252-E254 PolarHBondContact O-N 3.38Å; G252-E255 PolarHBondContact O-N 2.86Å; G252-E255 VanDerWaalsContact O-N 3.1Å
253	P	95.2	Very high	96.8	Very high	122 Å²	122	30 Å²	30	79%	0.792	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-22.3	179.3	27.4	-33.3	0	0	0	113	E255	P253-E255 PolarHBondContact O-N 3.47Å
254	E	95.7	Very high	96.9	Very high	104 Å²	104	27.1 Å²	27.1	49%	0.486	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-3.7	174.9	-52.8	79.7	-171.2	0	0	113.2	G252 I256 F313	G252-E254 PolarHBondContact O-N 3.38Å; E254-I256 HydrophobicContact CB-CG1 4.27Å; E254-I256 PolarHBondContact O-N 3.47Å; E254-F313 HydrophobicContact CB-CD1 3.79Å; E254-F313 HydrophobicContact CB-CE1 3.82Å; E254-F313 HydrophobicContact CG-CE1 4.48Å
255	E	97.1	Very high	97	Very high	26 Å²	26	27.3 Å²	27.3	12%	0.121	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.8	51.3	-177.8	-59.7	-177.3	177.7	0	0	112.5	P210 L250 G252 P253 I257 L314 Y344	P210-E255 HydrophobicContact CB-CG 4.23Å; P210-E255 HydrophobicContact CG-CG 4.19Å; P210-E255 WeakPolarHBondContact CG-OE1 3.42Å; L250-E255 HydrophobicContact CD1-CB 4.28Å; L250-E255 HydrophobicContact CD1-CG 4.47Å; G252-E255 PolarHBondContact O-N 2.86Å; G252-E255 VanDerWaalsContact O-N 3.1Å; P253-E255 PolarHBondContact O-N 3.47Å; E255-I257 PolarHBondContact O-N 2.96Å; E255-L314 HydrophobicContact CB-CB 4.25Å; E255-L314 PolarHBondContact O-N 2.98Å; E255-Y344 PolarHBondContact OE1-OH 3.33Å; E255-Y344 WeakPolarHBondContact OE2-CE2 3.25Å; E255-Y344 VanDerWaalsContact OE2-CZ 3.31Å; E255-Y344 PolarHBondContact OE2-OH 3.16Å
256	I	97.9	Very high	97.4	Very high	26 Å²	26	25.2 Å²	25.2	13%	0.133	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	124.7	176.3	-57.4	170.6	0	0	0	108.4	L250 F251 E254 P311 L312 F313	L250-I256 CarbonylContact C-O 3.59Å; L250-I256 VanDerWaalsContact CA-O 3.28Å; L250-I256 WeakPolarHBondContact CA-O 3.35Å; F251-I256 HydrophobicContact CB-CB 4.5Å; F251-I256 PolarHBondContact N-O 3.45Å; F251-I256 WeakPolarHBondContact O-CB 3.42Å; F251-I256 PolarHBondContact O-N 2.81Å; E254-I256 HydrophobicContact CB-CG1 4.27Å; E254-I256 PolarHBondContact O-N 3.47Å; I256-P311 HydrophobicContact CG2-CB 4.27Å; I256-L312 CarbonylContact C-O 3.54Å; I256-L312 WeakPolarHBondContact CA-O 3.34Å; I256-F313 HydrophobicContact CD1-CE1 4.39Å; I256-F313 HydrophobicContact CG1-CD1 3.92Å; I256-F313 HydrophobicContact CG1-CE1 3.72Å
257	I	98.1	Very high	97.5	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.005	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	128.8	175.6	-59.9	164.2	0	0	0	109.4	L248 L250 E255 L265 L312 L314 L317	L248-I257 HydrophobicContact CD1-CG2 3.58Å; L248-I257 HydrophobicContact CD2-CG1 4.48Å; L248-I257 HydrophobicContact CD2-CG2 4.49Å; L248-I257 HydrophobicContact CG-CG2 4.2Å; L250-I257 HydrophobicContact CD2-CG1 3.99Å; E255-I257 PolarHBondContact O-N 2.96Å; I257-L265 HydrophobicContact CB-CD2 4.34Å; I257-L265 HydrophobicContact CG2-CD2 3.2Å; I257-L312 HydrophobicContact CB-CB 4.29Å; I257-L312 HydrophobicContact CD1-CB 4.27Å; I257-L312 PolarHBondContact N-O 2.88Å; I257-L314 HydrophobicContact CD1-CB 4.29Å; I257-L314 HydrophobicContact CD1-CD1 4.37Å; I257-L314 HydrophobicContact CG1-CB 4.02Å; I257-L317 HydrophobicContact CD1-CB 4.15Å; I257-L317 HydrophobicContact CD1-CD2 3.54Å; I257-L317 HydrophobicContact CD1-CG 4.48Å
258	T	98.2	Very high	97.5	Very high	9 Å²	9	24.4 Å²	24.4	6%	0.055	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	-72	-177.4	57.5	0	0	0	0	112.4	W249 F251 L286 I287	W249-T258 WeakPolarHBondContact CB-OG1 3.28Å; W249-T258 PolarHBondContact O-N 2.7Å; W249-T258 PolarHBondContact O-OG1 2.96Å; F251-T258 HydrophobicContact CB-CG2 3.79Å; T258-L286 HydrophobicContact CG2-CB 4.49Å; T258-L286 HydrophobicContact CG2-CD1 4.19Å; T258-I287 HydrophobicContact CG2-CD1 4.06Å
259	E	98.4	Very high	97.4	Very high	4 Å²	4	25.5 Å²	25.5	2%	0.019	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	164.6	-172.7	-74.2	-175.2	-118.2	0	0	111.7	R214 W249 M263 I287 L288	R214-E259 IonicContact CZ-OE1 2.85Å; R214-E259 VanDerWaalsContact CZ-OE1 3.23Å; R214-E259 IonicContact NE-OE1 3.43Å; R214-E259 PolarHBondContact NE-OE1 2.77Å; R214-E259 IonicContact NH2-OE1 2.58Å; R214-E259 PolarHBondContact NH2-OE1 3.28Å; W249-E259 PolarHBondContact N-O 3.17Å; E259-M263 WeakPolarHBondContact CB-O 3.15Å; E259-I287 HydrophobicContact CG-CD1 4.08Å; E259-I287 HydrophobicContact CG-CG2 4.26Å; E259-I287 WeakPolarHBondContact OE1-CA 3.49Å; E259-L288 PolarHBondContact OE1-N 2.81Å
260	V	97	Very high	97.2	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	100.2	173.5	-178.6	0	0	0	0	108.8	L206 Q246 N247 L248 A262 M263 L265 I339	L206-V260 HydrophobicContact CD1-CB 4.36Å; L206-V260 HydrophobicContact CD1-CG1 3.69Å; L206-V260 HydrophobicContact CD1-CG2 3.74Å; L206-V260 HydrophobicContact CD2-CG1 3.33Å; L206-V260 HydrophobicContact CG-CG1 4.16Å; Q246-V260 HydrophobicContact CB-CG1 4.17Å; N247-V260 CarbonylContact O-C 3.53Å; N247-V260 WeakPolarHBondContact O-CA 3.2Å; L248-V260 HydrophobicContact CD1-CG2 4.05Å; V260-A262 PolarHBondContact O-N 2.99Å; V260-M263 HydrophobicContact CB-CB 4.45Å; V260-M263 HydrophobicContact CB-CE 4.18Å; V260-M263 HydrophobicContact CG1-CE 3.69Å; V260-M263 PolarHBondContact N-O 3.33Å; V260-M263 WeakPolarHBondContact O-CA 3.35Å; V260-M263 VanDerWaalsContact O-CB 3.28Å; V260-M263 WeakPolarHBondContact O-CB 3.21Å; V260-M263 PolarHBondContact O-N 3.23Å; V260-L265 HydrophobicContact CG2-CB 4.08Å; V260-L265 HydrophobicContact CG2-CD1 3.36Å; V260-L265 HydrophobicContact CG2-CG 4.27Å; V260-I339 HydrophobicContact CG1-CD1 4.25Å
261	G	96.2	Very high	97	Very high	12 Å²	12	28 Å²	28	12%	0.124	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.4	-110.1	-175.8	0	0	0	0	0	111.6	N247 W249	N247-G261 PolarHBondContact O-N 3.49Å; W249-G261 VanDerWaalsContact NE1-CA 3.34Å; W249-G261 PolarHBondContact NE1-O 3.22Å
262	A	95.3	Very high	96.6	Very high	63 Å²	63	32.6 Å²	32.6	52%	0.521	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.8	22.9	175.6	0	0	0	0	0	113.7	Y229 V260	Y229-A262 HydrophobicContact CE1-CB 4.41Å; V260-A262 PolarHBondContact O-N 2.99Å
263	M	97.4	Very high	96.4	Very high	19 Å²	19	38.2 Å²	38.2	9%	0.094	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	148	-175.9	-60.6	179.1	-71.1	0	0	111.6	Q246 E259 V260 S330 V334	Q246-M263 HydrophobicContact CG-CE 4.36Å; E259-M263 WeakPolarHBondContact CB-O 3.15Å; V260-M263 HydrophobicContact CB-CB 4.45Å; V260-M263 HydrophobicContact CB-CE 4.18Å; V260-M263 HydrophobicContact CG1-CE 3.69Å; V260-M263 PolarHBondContact N-O 3.33Å; V260-M263 WeakPolarHBondContact O-CA 3.35Å; V260-M263 VanDerWaalsContact O-CB 3.28Å; V260-M263 WeakPolarHBondContact O-CB 3.21Å; V260-M263 PolarHBondContact O-N 3.23Å; M263-S330 CarbonylContact C-O 3.54Å; M263-S330 VanDerWaalsContact CA-O 3.28Å; M263-S330 WeakPolarHBondContact CA-O 3.22Å; M263-S330 VanDerWaalsContact CB-O 3.27Å; M263-S330 WeakPolarHBondContact CB-O 3.44Å; M263-V334 HydrophobicContact SD-CG2 3.45Å; M263-V334 WeakPolarHBondContact SD-CG2 3.41Å
264	N	98.6	Very high	96.4	Very high	6 Å²	6	35 Å²	35	3%	0.032	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	146.7	167.3	-60.8	114.1	0	0	0	110.6	I287 L288 G290 R293 G329 S330	N264-I287 WeakPolarHBondContact ND2-CG2 3.27Å; N264-L288 PolarHBondContact ND2-O 3.36Å; N264-L288 PolarHBondContact OD1-O 3.49Å; N264-G290 WeakPolarHBondContact OD1-CA 3.5Å; N264-G290 PolarHBondContact OD1-N 3.04Å; N264-R293 HydrophobicContact CB-CB 3.9Å; N264-R293 HydrophobicContact CB-CG 4.11Å; N264-R293 WeakPolarHBondContact OD1-CB 3.49Å; N264-G329 CarbonylContact O-C 3.46Å; N264-G329 VanDerWaalsContact O-CA 3.25Å; N264-G329 WeakPolarHBondContact O-CA 3.48Å; N264-S330 PolarHBondContact N-O 2.92Å; N264-S330 PolarHBondContact O-N 2.62Å; N264-S330 PolarHBondContact O-OG 2.94Å
265	L	98.2	Very high	96.4	Very high	6 Å²	6	34 Å²	34	3%	0.031	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	142.6	179.1	-178	75	0	0	0	112.3	L248 I257 V260 V267 T280 I327	L248-L265 HydrophobicContact CD1-CD2 4.37Å; I257-L265 HydrophobicContact CB-CD2 4.34Å; I257-L265 HydrophobicContact CG2-CD2 3.2Å; V260-L265 HydrophobicContact CG2-CB 4.08Å; V260-L265 HydrophobicContact CG2-CD1 3.36Å; V260-L265 HydrophobicContact CG2-CG 4.27Å; L265-V267 HydrophobicContact CD2-CG2 4.21Å; L265-V267 HydrophobicContact CG-CG2 4.42Å; L265-T280 WeakPolarHBondContact O-CB 3.45Å; L265-T280 PolarHBondContact O-OG1 3.4Å; L265-I327 HydrophobicContact CD1-CG2 3.54Å
266	F	98.4	Very high	96.4	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	142.7	164.9	-73.1	-87.7	0	0	0	111.5	L278 I279 T280 R293 I296 I297 I327 F328 S330	F266-L278 HydrophobicContact CB-CD1 3.96Å; F266-L278 HydrophobicContact CD1-CD1 3.86Å; F266-L278 HydrophobicContact CD1-CD2 3.8Å; F266-L278 HydrophobicContact CD1-CG 3.76Å; F266-L278 HydrophobicContact CE1-CD2 4.07Å; F266-L278 HydrophobicContact CE1-CG 4.4Å; F266-L278 HydrophobicContact CG-CD1 4.33Å; F266-I279 CarbonylContact C-O 3.42Å; F266-I279 WeakPolarHBondContact CA-O 3.21Å; F266-T280 HydrophobicContact CD1-CG2 4.21Å; F266-T280 HydrophobicContact CE1-CG2 3.76Å; F266-T280 HydrophobicContact CZ-CG2 4.43Å; F266-R293 HydrophobicContact CE2-CB 4.19Å; F266-R293 HydrophobicContact CE2-CG 4.01Å; F266-R293 HydrophobicContact CZ-CB 4.17Å; F266-R293 HydrophobicContact CZ-CG 3.64Å; F266-I296 HydrophobicContact CD1-CG2 4.28Å; F266-I296 HydrophobicContact CD2-CD1 4.45Å; F266-I296 HydrophobicContact CD2-CG2 4.48Å; F266-I296 HydrophobicContact CE1-CB 4.48Å; F266-I296 HydrophobicContact CE1-CG2 3.85Å; F266-I296 HydrophobicContact CE2-CB 4.2Å; F266-I296 HydrophobicContact CE2-CD1 4.07Å; F266-I296 HydrophobicContact CE2-CG2 4.08Å; F266-I296 HydrophobicContact CZ-CB 3.91Å; F266-I296 HydrophobicContact CZ-CG2 3.74Å; F266-I297 HydrophobicContact CE1-CG1 3.89Å; F266-I297 HydrophobicContact CZ-CG1 4.05Å; F266-I327 WeakPolarHBondContact O-CA 3.38Å; F266-F328 HydrophobicContact CB-CD1 4.44Å; F266-F328 HydrophobicContact CB-CD2 3.9Å; F266-F328 HydrophobicContact CB-CE1 4.07Å; F266-F328 HydrophobicContact CB-CE2 3.46Å; F266-F328 VanDerWaalsContact CB-CE2 3.46Å; F266-F328 HydrophobicContact CB-CG 4.37Å; F266-F328 HydrophobicContact CB-CZ 3.56Å; F266-F328 HydrophobicContact CD2-CD2 4.19Å; F266-F328 AromaticContact CD2-CE2 3.7Å; F266-F328 HydrophobicContact CD2-CE2 3.7Å; F266-F328 HydrophobicContact CD2-CZ 4.48Å; F266-F328 HydrophobicContact CG-CD2 4.37Å; F266-F328 AromaticContact CG-CE2 3.69Å; F266-F328 HydrophobicContact CG-CE2 3.69Å; F266-F328 HydrophobicContact CG-CZ 4.03Å; F266-F328 PolarHBondContact N-O 3.05Å; F266-F328 PolarHBondContact O-N 3.41Å; F266-S330 WeakPolarHBondContact CE2-OG 3.49Å
267	V	97.7	Very high	96.3	Very high	1 Å²	1	37 Å²	37	1%	0.006	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	115.6	172.4	179.4	0	0	0	0	108.4	L265 W269 I279 L312 L317 I327	L265-V267 HydrophobicContact CD2-CG2 4.21Å; L265-V267 HydrophobicContact CG-CG2 4.42Å; V267-W269 HydrophobicContact CG1-CB 4.21Å; V267-W269 HydrophobicContact CG1-CG 4.44Å; V267-I279 PolarHBondContact N-O 2.94Å; V267-I279 PolarHBondContact O-N 2.79Å; V267-L312 HydrophobicContact CB-CD1 4.05Å; V267-L312 HydrophobicContact CG2-CD1 3.64Å; V267-L317 HydrophobicContact CG1-CD1 3.97Å; V267-L317 HydrophobicContact CG2-CD1 4.39Å; V267-I327 HydrophobicContact CG1-CG1 4.35Å; V267-I327 HydrophobicContact CG2-CD1 4.37Å; V267-I327 HydrophobicContact CG2-CG1 4.24Å; V267-I327 HydrophobicContact CG2-CG2 4.35Å
268	Y	97.7	Very high	96.3	Very high	31 Å²	31	37 Å²	37	12%	0.122	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	120.2	171.4	-171.9	-131.5	0	0	0	108.9	K276 E277 L278 I305 I325 E326 L363	Y268-K276 HydrophobicContact CE1-CD 4.38Å; Y268-K276 HydrophobicContact CE2-CB 3.95Å; Y268-K276 WeakPolarHBondContact OH-CB 3.38Å; Y268-K276 VanDerWaalsContact OH-CD 3.24Å; Y268-K276 WeakPolarHBondContact OH-CD 3.44Å; Y268-E277 WeakPolarHBondContact CD2-O 3.14Å; Y268-L278 HydrophobicContact CD2-CB 4.31Å; Y268-L278 HydrophobicContact CD2-CD1 4.46Å; Y268-I305 HydrophobicContact CE2-CG2 4.04Å; Y268-I325 HydrophobicContact CD1-CB 3.83Å; Y268-I325 HydrophobicContact CD1-CD1 3.95Å; Y268-I325 HydrophobicContact CD1-CG1 4.47Å; Y268-I325 HydrophobicContact CD1-CG2 3.87Å; Y268-I325 HydrophobicContact CE1-CB 4.39Å; Y268-I325 HydrophobicContact CE1-CD1 3.77Å; Y268-I325 HydrophobicContact CE1-CG2 4.17Å; Y268-I325 WeakPolarHBondContact O-CA 3.37Å; Y268-I325 WeakPolarHBondContact O-CB 3.4Å; Y268-I325 PolarHBondContact O-N 2.9Å; Y268-E326 PolarHBondContact N-O 3.47Å; Y268-E326 PolarHBondContact O-N 3.08Å; Y268-L363 HydrophobicContact CD1-CB 4.17Å; Y268-L363 HydrophobicContact CD1-CD2 3.87Å; Y268-L363 HydrophobicContact CD2-CD2 3.67Å; Y268-L363 HydrophobicContact CE1-CB 4.42Å; Y268-L363 HydrophobicContact CE1-CD2 4.27Å; Y268-L363 HydrophobicContact CE2-CD2 4.1Å; Y268-L363 HydrophobicContact CG-CD2 3.56Å
269	W	96.3	Very high	96.3	Very high	27 Å²	27	36.7 Å²	36.7	10%	0.102	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	171.1	-169	76.3	-30.6	0	0	0	111.9	V267 N271 K276 E277 I279 I320 L323	V267-W269 HydrophobicContact CG1-CB 4.21Å; V267-W269 HydrophobicContact CG1-CG 4.44Å; W269-N271 HydrophobicContact CZ2-CB 4.3Å; W269-K276 WeakPolarHBondContact O-CA 3.01Å; W269-E277 PolarHBondContact N-O 3.43Å; W269-E277 VanDerWaalsContact N-O 3.08Å; W269-E277 VanDerWaalsContact NE1-CG 3.27Å; W269-E277 PolarHBondContact NE1-OE1 2.79Å; W269-E277 PolarHBondContact O-N 2.9Å; W269-I279 HydrophobicContact CZ2-CD1 3.42Å; W269-I279 VanDerWaalsContact CZ2-CD1 3.42Å; W269-I320 HydrophobicContact CE3-CD1 3.57Å; W269-I320 HydrophobicContact CZ3-CD1 3.27Å; W269-L323 CarbonylContact C-O 3.54Å; W269-L323 VanDerWaalsContact CA-O 3.28Å; W269-L323 WeakPolarHBondContact CA-O 3.35Å; W269-L323 WeakPolarHBondContact CB-O 3.37Å
270	I	96	Very high	96.3	Very high	56 Å²	56	36.5 Å²	36.5	29%	0.287	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	120.1	169.9	-56.4	176.2	0	0	0	107.8	D275 K276 L323 I325	I270-D275 WeakPolarHBondContact CA-O 3.27Å; I270-K276 HydrophobicContact CG1-CG 4.36Å; I270-L323 HydrophobicContact CB-CD2 4.32Å; I270-L323 PolarHBondContact N-O 3.48Å; I270-I325 HydrophobicContact CG1-CD1 4.07Å; I270-I325 HydrophobicContact CG1-CG1 4.38Å
271	N	92.6	Very high	96.3	Very high	4 Å²	4	36.9 Å²	36.9	2%	0.021	20%	0.2	C	C	.	.			trans	-78.9	-180	-179	72	18.8	0	0	0	112.6	W269 K273 G274 D275 E277	W269-N271 HydrophobicContact CZ2-CB 4.3Å; N271-K273 PolarHBondContact O-N 2.64Å; N271-K273 WeakPolarHBondContact OD1-CA 3.19Å; N271-K273 WeakPolarHBondContact OD1-CB 3.43Å; N271-K273 PolarHBondContact OD1-N 2.74Å; N271-G274 PolarHBondContact O-N 3.28Å; N271-G274 PolarHBondContact OD1-N 2.9Å; N271-D275 PolarHBondContact N-O 3.27Å; N271-D275 PolarHBondContact OD1-N 3.46Å; N271-D275 PolarHBondContact OD1-O 3Å; N271-E277 HydrophobicContact CB-CG 4.11Å; N271-E277 PolarHBondContact ND2-OE2 2.86Å
272	E	89	Confident	96.4	Very high	135 Å²	135	37.6 Å²	37.6	63%	0.631	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-18.9	179.5	65.6	-74.7	168.1	0	0	115	R308	E272-R308 IonicContact OE1-NH1 2.93Å
273	K	93.2	Very high	96.5	Very high	151 Å²	151	38.8 Å²	38.8	66%	0.657	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.3	-4.3	177.6	-54.8	-170.2	-178	-171.4	0	113.2	N271	N271-K273 PolarHBondContact O-N 2.64Å; N271-K273 WeakPolarHBondContact OD1-CA 3.19Å; N271-K273 WeakPolarHBondContact OD1-CB 3.43Å; N271-K273 PolarHBondContact OD1-N 2.74Å
274	G	95.2	Very high	96.4	Very high	54 Å²	54	41 Å²	41	56%	0.557	21%	0.212	S	C	*	.	S	Bend	trans	86	5.3	-174.6	0	0	0	0	0	114.4	N271	N271-G274 PolarHBondContact O-N 3.28Å; N271-G274 PolarHBondContact OD1-N 2.9Å
275	D	96	Very high	96.3	Very high	83 Å²	83	41.5 Å²	41.5	44%	0.444	22%	0.219	S	C	.	.			trans	-86.7	141.6	178.1	-56.7	-45.8	0	0	0	110.9	I270 N271	I270-D275 WeakPolarHBondContact CA-O 3.27Å; N271-D275 PolarHBondContact N-O 3.27Å; N271-D275 PolarHBondContact OD1-N 3.46Å; N271-D275 PolarHBondContact OD1-O 3Å
276	K	96.3	Very high	96.2	Very high	116 Å²	116	41.4 Å²	41.4	50%	0.504	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	129.9	167.9	-61.7	-173.4	-176.7	179	0	110.1	Y268 W269 I270 I325	Y268-K276 HydrophobicContact CE1-CD 4.38Å; Y268-K276 HydrophobicContact CE2-CB 3.95Å; Y268-K276 WeakPolarHBondContact OH-CB 3.38Å; Y268-K276 VanDerWaalsContact OH-CD 3.24Å; Y268-K276 WeakPolarHBondContact OH-CD 3.44Å; W269-K276 WeakPolarHBondContact O-CA 3.01Å; I270-K276 HydrophobicContact CG1-CG 4.36Å; K276-I325 HydrophobicContact CD-CD1 3.74Å; K276-I325 HydrophobicContact CG-CD1 3.89Å
277	E	97.2	Very high	96.2	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	158.2	174.7	67	-177	-156.5	0	0	112.1	Y268 W269 N271 I279 K306 R308	Y268-E277 WeakPolarHBondContact CD2-O 3.14Å; W269-E277 PolarHBondContact N-O 3.43Å; W269-E277 VanDerWaalsContact N-O 3.08Å; W269-E277 VanDerWaalsContact NE1-CG 3.27Å; W269-E277 PolarHBondContact NE1-OE1 2.79Å; W269-E277 PolarHBondContact O-N 2.9Å; N271-E277 HydrophobicContact CB-CG 4.11Å; N271-E277 PolarHBondContact ND2-OE2 2.86Å; E277-I279 HydrophobicContact CG-CG1 4.32Å; E277-K306 WeakPolarHBondContact CA-O 3.3Å; E277-K306 HydrophobicContact CB-CB 4.11Å; E277-K306 HydrophobicContact CB-CD 4.32Å; E277-K306 HydrophobicContact CB-CG 4.35Å; E277-K306 WeakPolarHBondContact CB-O 3.49Å; E277-K306 WeakPolarHBondContact OE2-CE 3.46Å; E277-K306 IonicContact OE2-NZ 3.77Å; E277-K306 PolarHBondContact OE2-NZ 2.69Å; E277-R308 WeakPolarHBondContact OE1-CD 3.49Å; E277-R308 IonicContact OE1-CZ 3.89Å; E277-R308 IonicContact OE1-NE 2.98Å; E277-R308 IonicContact OE1-NH1 2.67Å; E277-R308 PolarHBondContact OE1-NH1 3.49Å; E277-R308 IonicContact OE2-CZ 3.1Å; E277-R308 IonicContact OE2-NE 2.68Å; E277-R308 PolarHBondContact OE2-NE 2.86Å; E277-R308 IonicContact OE2-NH1 2.82Å; E277-R308 PolarHBondContact OE2-NH1 3.43Å; E277-R308 VanDerWaalsContact OE2-NH1 3.15Å
278	L	98.2	Very high	96.3	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	118.5	177.4	-176.7	65.9	0	0	0	109.3	F266 Y268 I296 A300 I305 K306 V307 R308 F328 L363	F266-L278 HydrophobicContact CB-CD1 3.96Å; F266-L278 HydrophobicContact CD1-CD1 3.86Å; F266-L278 HydrophobicContact CD1-CD2 3.8Å; F266-L278 HydrophobicContact CD1-CG 3.76Å; F266-L278 HydrophobicContact CE1-CD2 4.07Å; F266-L278 HydrophobicContact CE1-CG 4.4Å; F266-L278 HydrophobicContact CG-CD1 4.33Å; Y268-L278 HydrophobicContact CD2-CB 4.31Å; Y268-L278 HydrophobicContact CD2-CD1 4.46Å; L278-I296 HydrophobicContact CD2-CG2 4.11Å; L278-A300 HydrophobicContact CD2-CB 3.87Å; L278-I305 HydrophobicContact CB-CG2 4.02Å; L278-K306 PolarHBondContact N-O 3.14Å; L278-V307 HydrophobicContact CB-CG2 4.45Å; L278-V307 HydrophobicContact CD2-CG2 4.44Å; L278-V307 CarbonylContact O-C 3.49Å; L278-V307 VanDerWaalsContact O-CA 3.29Å; L278-V307 WeakPolarHBondContact O-CA 3.47Å; L278-R308 PolarHBondContact O-N 3.16Å; L278-F328 HydrophobicContact CD1-CE1 4.39Å; L278-F328 HydrophobicContact CD1-CZ 4.12Å; L278-L363 HydrophobicContact CD1-CD2 3.95Å; L278-L363 HydrophobicContact CD2-CD2 4.44Å
279	I	97.5	Very high	96.3	Very high	2 Å²	2	42 Å²	42	1%	0.01	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	141	177.3	-55	-170.9	0	0	0	110.4	F266 V267 W269 E277 R308 Q310 L312	F266-I279 CarbonylContact C-O 3.42Å; F266-I279 WeakPolarHBondContact CA-O 3.21Å; V267-I279 PolarHBondContact N-O 2.94Å; V267-I279 PolarHBondContact O-N 2.79Å; W269-I279 HydrophobicContact CZ2-CD1 3.42Å; W269-I279 VanDerWaalsContact CZ2-CD1 3.42Å; E277-I279 HydrophobicContact CG-CG1 4.32Å; I279-R308 WeakPolarHBondContact CA-O 3.37Å; I279-R308 HydrophobicContact CG1-CB 4.39Å; I279-Q310 HydrophobicContact CG2-CB 4.31Å; I279-L312 HydrophobicContact CB-CD1 4.16Å; I279-L312 HydrophobicContact CB-CD2 4.2Å; I279-L312 HydrophobicContact CB-CG 4.42Å; I279-L312 HydrophobicContact CD1-CD2 4.1Å; I279-L312 HydrophobicContact CG2-CD1 3.66Å; I279-L312 HydrophobicContact CG2-CD2 3.71Å; I279-L312 HydrophobicContact CG2-CG 3.59Å
280	T	98.4	Very high	96.4	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.006	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	155.1	165.7	167.4	0	0	0	0	108.5	L265 F266 R293 I297 R308 D309 Q310	L265-T280 WeakPolarHBondContact O-CB 3.45Å; L265-T280 PolarHBondContact O-OG1 3.4Å; F266-T280 HydrophobicContact CD1-CG2 4.21Å; F266-T280 HydrophobicContact CE1-CG2 3.76Å; F266-T280 HydrophobicContact CZ-CG2 4.43Å; T280-R293 PolarHBondContact OG1-NE 3.03Å; T280-I297 HydrophobicContact CG2-CD1 4.01Å; T280-I297 HydrophobicContact CG2-CG1 4.44Å; T280-R308 PolarHBondContact N-O 3.23Å; T280-R308 VanDerWaalsContact N-O 3.15Å; T280-D309 VanDerWaalsContact CG2-OD1 3.31Å; T280-D309 WeakPolarHBondContact CG2-OD1 3.19Å; T280-D309 WeakPolarHBondContact O-CA 3.5Å; T280-Q310 PolarHBondContact O-N 3.2Å
281	A	97.5	Very high	96.5	Very high	7 Å²	7	38.8 Å²	38.8	6%	0.058	21%	0.213	C	C	.	.			trans	-58.3	144.1	173.5	0	0	0	0	0	111.7	I287 R293	A281-I287 HydrophobicContact CB-CD1 3.76Å; A281-I287 HydrophobicContact CB-CG1 3.81Å; A281-R293 PolarHBondContact O-NH2 3.38Å
282	P	97.5	Very high	96.8	Very high	27 Å²	27	39 Å²	39	18%	0.175	21%	0.214	C	C	.	.			trans	-71.4	161.2	178.3	31.3	-36.1	0	0	0	112.2	D284 I287 D309 P311	P282-D284 VanDerWaalsContact C-N 3.32Å; P282-D284 PolarHBondContact O-N 2.99Å; P282-D284 VanDerWaalsContact O-N 3.17Å; P282-I287 WeakPolarHBondContact O-CG1 3.45Å; P282-D309 HydrophobicContact CB-CB 4.38Å; P282-P311 HydrophobicContact CG-CG 4.28Å
283	L	97.5	Very high	97.2	Very high	89 Å²	89	33 Å²	33	47%	0.466	19%	0.186	S	C	.	.			trans	-89	66.9	176.7	-60.3	-176.6	0	0	0	111.3	I287 P289	L283-I287 HydrophobicContact CD2-CB 4.08Å; L283-I287 HydrophobicContact CD2-CG2 3.98Å; L283-P289 HydrophobicContact CD1-CB 4.07Å; L283-P289 HydrophobicContact CD1-CG 4.35Å; L283-P289 HydrophobicContact CD2-CB 4.32Å; L283-P289 HydrophobicContact CD2-CG 4.31Å
284	D	95.8	Very high	97.4	Very high	65 Å²	65	29.4 Å²	29.4	35%	0.348	17%	0.171	S	C	.	.	S	Bend	trans	-94.4	5.4	-174.9	60.2	11.5	0	0	0	114.7	Y217 P282 L286	Y217-D284 HydrophobicContact CE1-CB 4.15Å; Y217-D284 PolarHBondContact OH-OD2 3.34Å; P282-D284 VanDerWaalsContact C-N 3.32Å; P282-D284 PolarHBondContact O-N 2.99Å; P282-D284 VanDerWaalsContact O-N 3.17Å; D284-L286 WeakPolarHBondContact OD1-CB 3.1Å; D284-L286 PolarHBondContact OD1-N 3.37Å
285	G	96.3	Very high	97.6	Very high	16 Å²	16	27.2 Å²	27.2	17%	0.165	15%	0.147	C	C	.	.	S	Bend	trans	107.9	-20.8	-177	0	0	0	0	0	114.2	N222	N222-G285 PolarHBondContact N-O 3.36Å
286	L	96.7	Very high	97.7	Very high	4 Å²	4	23.2 Å²	23.2	2%	0.021	13%	0.126	C	C	.	.	S	Bend	trans	-75	-36.1	173.4	-63.1	178.2	0	0	0	111.8	R214 W216 Y217 F251 T258 D284	R214-L286 PolarHBondContact NH2-O 3.07Å; W216-L286 VanDerWaalsContact CA-CD2 3.43Å; Y217-L286 HydrophobicContact CD1-CD1 4.41Å; Y217-L286 HydrophobicContact CD1-CD2 4.12Å; Y217-L286 HydrophobicContact CD1-CG 3.94Å; Y217-L286 HydrophobicContact CE1-CD1 3.73Å; Y217-L286 HydrophobicContact CE1-CD2 4.26Å; Y217-L286 HydrophobicContact CE1-CG 3.64Å; Y217-L286 HydrophobicContact CE2-CD1 4.28Å; Y217-L286 HydrophobicContact CG-CD2 4.37Å; F251-L286 HydrophobicContact CB-CD1 4.23Å; F251-L286 HydrophobicContact CD1-CD1 3.7Å; F251-L286 HydrophobicContact CD2-CD1 4.31Å; F251-L286 HydrophobicContact CD2-CD2 4.04Å; F251-L286 HydrophobicContact CE1-CD1 4.17Å; F251-L286 HydrophobicContact CE2-CD2 4.02Å; F251-L286 HydrophobicContact CG-CD1 3.78Å; F251-L286 HydrophobicContact CG-CD2 4.34Å; F251-L286 HydrophobicContact CZ-CD2 4.3Å; T258-L286 HydrophobicContact CG2-CB 4.49Å; T258-L286 HydrophobicContact CG2-CD1 4.19Å; D284-L286 WeakPolarHBondContact OD1-CB 3.1Å; D284-L286 PolarHBondContact OD1-N 3.37Å
287	I	98.2	Very high	97.8	Very high	3 Å²	3	18.3 Å²	18.3	2%	0.015	11%	0.105	C	C	.	.	S	Bend	trans	-95.9	133.8	-167.2	-50.2	-56.3	0	0	0	111.8	N222 T258 E259 N264 A281 P282 L283 P289	N222-I287 WeakPolarHBondContact CA-O 3.48Å; N222-I287 WeakPolarHBondContact CB-O 3.1Å; T258-I287 HydrophobicContact CG2-CD1 4.06Å; E259-I287 HydrophobicContact CG-CD1 4.08Å; E259-I287 HydrophobicContact CG-CG2 4.26Å; E259-I287 WeakPolarHBondContact OE1-CA 3.49Å; N264-I287 WeakPolarHBondContact ND2-CG2 3.27Å; A281-I287 HydrophobicContact CB-CD1 3.76Å; A281-I287 HydrophobicContact CB-CG1 3.81Å; P282-I287 WeakPolarHBondContact O-CG1 3.45Å; L283-I287 HydrophobicContact CD2-CB 4.08Å; L283-I287 HydrophobicContact CD2-CG2 3.98Å; I287-P289 WeakPolarHBondContact O-CD 3.32Å
288	L	98.5	Very high	97.9	Very high	11 Å²	11	22 Å²	22	6%	0.058	12%	0.122	C	C	.	.			trans	-69.3	124.6	169.8	-172.2	68.4	0	0	0	110.4	K224 E259 N264 G290	K224-L288 HydrophobicContact CB-CD1 4.27Å; K224-L288 HydrophobicContact CD-CD2 4.42Å; K224-L288 HydrophobicContact CG-CD2 4.47Å; E259-L288 PolarHBondContact OE1-N 2.81Å; N264-L288 PolarHBondContact ND2-O 3.36Å; N264-L288 PolarHBondContact OD1-O 3.49Å; L288-G290 PolarHBondContact O-N 3.49Å
289	P	98.2	Very high	97.9	Very high	32 Å²	32	22.9 Å²	22.9	21%	0.208	13%	0.126	C	C	.	.			trans	-70.1	89.4	177.8	-19.5	33.2	0	0	0	111.6	R119 N222 L283 I287	R119-P289 WeakPolarHBondContact CD-O 3.18Å; R119-P289 PolarHBondContact NH1-O 3.2Å; N222-P289 VanDerWaalsContact O-CD 3.25Å; N222-P289 WeakPolarHBondContact O-CD 3.43Å; L283-P289 HydrophobicContact CD1-CB 4.07Å; L283-P289 HydrophobicContact CD1-CG 4.35Å; L283-P289 HydrophobicContact CD2-CB 4.32Å; L283-P289 HydrophobicContact CD2-CG 4.31Å; I287-P289 WeakPolarHBondContact O-CD 3.32Å
290	G	98.3	Very high	97.9	Very high	8 Å²	8	22.8 Å²	22.8	8%	0.082	13%	0.126	C	C	.	.			trans	-68.7	135.3	-179.8	0	0	0	0	0	113.5	N264 L288 T292 R293 Q294	N264-G290 WeakPolarHBondContact OD1-CA 3.5Å; N264-G290 PolarHBondContact OD1-N 3.04Å; L288-G290 PolarHBondContact O-N 3.49Å; G290-T292 VanDerWaalsContact C-N 3.33Å; G290-R293 WeakPolarHBondContact O-CB 3.39Å; G290-R293 PolarHBondContact O-N 2.95Å; G290-Q294 PolarHBondContact O-N 3.43Å
291	V	98.5	Very high	97.8	Very high	7 Å²	7	29.2 Å²	29.2	4%	0.042	15%	0.154	C	C	.	.	H	α-helix	trans	-64.6	-40.2	171	175.8	0	0	0	0	110.9	F111 R112 L115 N116 Q294 T295	F111-V291 HydrophobicContact CE1-CG1 4.44Å; R112-V291 HydrophobicContact CB-CG1 3.89Å; L115-V291 HydrophobicContact CB-CG1 4.4Å; L115-V291 HydrophobicContact CB-CG2 3.74Å; L115-V291 HydrophobicContact CD1-CG1 4.08Å; N116-V291 WeakPolarHBondContact OD1-CG2 3.29Å; V291-Q294 PolarHBondContact O-N 3.05Å; V291-T295 WeakPolarHBondContact O-CB 3.37Å; V291-T295 PolarHBondContact O-N 3.25Å; V291-T295 PolarHBondContact O-OG1 2.84Å
292	T	98	Very high	97.8	Very high	7 Å²	7	35.9 Å²	35.9	4%	0.043	18%	0.184	C	C	.	.	H	α-helix	trans	-66.4	-41	174.5	-40.4	0	0	0	0	111.6	G290 Q294 T295 I296 G331 T332 I335 I371	G290-T292 VanDerWaalsContact C-N 3.33Å; T292-Q294 PolarHBondContact O-N 2.85Å; T292-T295 WeakPolarHBondContact O-CB 3.46Å; T292-T295 PolarHBondContact O-N 3.48Å; T292-I296 HydrophobicContact CG2-CD1 4.22Å; T292-I296 WeakPolarHBondContact O-CG1 3.46Å; T292-I296 PolarHBondContact O-N 2.95Å; T292-G331 VanDerWaalsContact OG1-C 3.32Å; T292-T332 PolarHBondContact OG1-N 2.98Å; T292-I335 HydrophobicContact CG2-CG2 4.27Å; T292-I335 WeakPolarHBondContact CG2-O 3.36Å; T292-I371 HydrophobicContact CG2-CD1 4.04Å
293	R	98.5	Very high	97.8	Very high	11 Å²	11	37 Å²	37	4%	0.042	19%	0.185	C	C	.	.	H	α-helix	trans	-54.5	-52.3	171.9	178.1	-166.5	-179	-82.7	-0.1	111.1	N264 F266 T280 A281 G290 T295 I296 I297 D309	N264-R293 HydrophobicContact CB-CB 3.9Å; N264-R293 HydrophobicContact CB-CG 4.11Å; N264-R293 WeakPolarHBondContact OD1-CB 3.49Å; F266-R293 HydrophobicContact CE2-CB 4.19Å; F266-R293 HydrophobicContact CE2-CG 4.01Å; F266-R293 HydrophobicContact CZ-CB 4.17Å; F266-R293 HydrophobicContact CZ-CG 3.64Å; T280-R293 PolarHBondContact OG1-NE 3.03Å; A281-R293 PolarHBondContact O-NH2 3.38Å; G290-R293 WeakPolarHBondContact O-CB 3.39Å; G290-R293 PolarHBondContact O-N 2.95Å; R293-T295 VanDerWaalsContact C-N 3.29Å; R293-T295 PolarHBondContact O-N 3.26Å; R293-I296 PolarHBondContact O-N 2.81Å; R293-I297 HydrophobicContact CG-CD1 4.04Å; R293-I297 WeakPolarHBondContact O-CG1 3.45Å; R293-I297 PolarHBondContact O-N 2.92Å; R293-D309 IonicContact CZ-OD1 3.47Å; R293-D309 IonicContact NH2-OD1 3.82Å; R293-D309 PolarHBondContact NH2-OD1 2.82Å; R293-D309 IonicContact NH2-OD2 2.8Å
294	Q	98.3	Very high	97.8	Very high	75 Å²	75	39.2 Å²	39.2	35%	0.35	20%	0.202	S	C	.	.	H	α-helix	trans	-59.1	-42.2	178.9	179.6	170.2	-1.4	0	0	111.8	G290 V291 T292 I297 E298	G290-Q294 PolarHBondContact O-N 3.43Å; V291-Q294 PolarHBondContact O-N 3.05Å; T292-Q294 PolarHBondContact O-N 2.85Å; Q294-I297 PolarHBondContact O-N 2.93Å; Q294-E298 VanDerWaalsContact CG-OE1 3.25Å; Q294-E298 WeakPolarHBondContact CG-OE1 3.41Å; Q294-E298 PolarHBondContact NE2-OE1 2.85Å; Q294-E298 WeakPolarHBondContact O-CG 3.25Å; Q294-E298 PolarHBondContact O-N 3.12Å
295	T	98.4	Very high	97.8	Very high	7 Å²	7	37.4 Å²	37.4	4%	0.043	19%	0.191	C	C	.	.	H	α-helix	trans	-62.1	-45.7	177.5	-54.9	0	0	0	0	112	F111 R112 V291 T292 R293 I297 E298 L299 I371	F111-T295 HydrophobicContact CE1-CG2 4.44Å; F111-T295 HydrophobicContact CZ-CG2 3.77Å; R112-T295 WeakPolarHBondContact CD-OG1 3.26Å; R112-T295 PolarHBondContact NH1-OG1 3.06Å; V291-T295 WeakPolarHBondContact O-CB 3.37Å; V291-T295 PolarHBondContact O-N 3.25Å; V291-T295 PolarHBondContact O-OG1 2.84Å; T292-T295 WeakPolarHBondContact O-CB 3.46Å; T292-T295 PolarHBondContact O-N 3.48Å; R293-T295 VanDerWaalsContact C-N 3.29Å; R293-T295 PolarHBondContact O-N 3.26Å; T295-I297 VanDerWaalsContact C-N 3.33Å; T295-I297 PolarHBondContact O-N 3.23Å; T295-E298 PolarHBondContact O-N 3.36Å; T295-L299 HydrophobicContact CG2-CD1 4.04Å; T295-L299 HydrophobicContact CG2-CG 4.43Å; T295-L299 WeakPolarHBondContact O-CG 3.38Å; T295-L299 PolarHBondContact O-N 3.15Å; T295-I371 HydrophobicContact CG2-CD1 4.02Å; T295-I371 HydrophobicContact CG2-CG1 3.91Å
296	I	98.5	Very high	97.9	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-63.1	-40.7	179.3	-70.8	172.6	0	0	0	110.9	F266 L278 T292 R293 L299 A300 F328 V336 C367 I371	F266-I296 HydrophobicContact CD1-CG2 4.28Å; F266-I296 HydrophobicContact CD2-CD1 4.45Å; F266-I296 HydrophobicContact CD2-CG2 4.48Å; F266-I296 HydrophobicContact CE1-CB 4.48Å; F266-I296 HydrophobicContact CE1-CG2 3.85Å; F266-I296 HydrophobicContact CE2-CB 4.2Å; F266-I296 HydrophobicContact CE2-CD1 4.07Å; F266-I296 HydrophobicContact CE2-CG2 4.08Å; F266-I296 HydrophobicContact CZ-CB 3.91Å; F266-I296 HydrophobicContact CZ-CG2 3.74Å; L278-I296 HydrophobicContact CD2-CG2 4.11Å; T292-I296 HydrophobicContact CG2-CD1 4.22Å; T292-I296 WeakPolarHBondContact O-CG1 3.46Å; T292-I296 PolarHBondContact O-N 2.95Å; R293-I296 PolarHBondContact O-N 2.81Å; I296-L299 PolarHBondContact O-N 2.84Å; I296-A300 WeakPolarHBondContact O-CB 3.44Å; I296-A300 PolarHBondContact O-N 3.06Å; I296-F328 HydrophobicContact CD1-CE2 4.08Å; I296-F328 HydrophobicContact CG2-CE2 4.38Å; I296-V336 HydrophobicContact CD1-CG2 3.96Å; I296-C367 HydrophobicContact CG1-CB 4.38Å; I296-I371 HydrophobicContact CG1-CD1 3.89Å
297	I	98.4	Very high	97.9	Very high	13 Å²	13	41.5 Å²	41.5	7%	0.067	21%	0.207	C	C	.	.	H	α-helix	trans	-62.7	-43.3	176.4	-67.5	170.6	0	0	0	111.2	F266 T280 R293 Q294 T295 K301 V307	F266-I297 HydrophobicContact CE1-CG1 3.89Å; F266-I297 HydrophobicContact CZ-CG1 4.05Å; T280-I297 HydrophobicContact CG2-CD1 4.01Å; T280-I297 HydrophobicContact CG2-CG1 4.44Å; R293-I297 HydrophobicContact CG-CD1 4.04Å; R293-I297 WeakPolarHBondContact O-CG1 3.45Å; R293-I297 PolarHBondContact O-N 2.92Å; Q294-I297 PolarHBondContact O-N 2.93Å; T295-I297 VanDerWaalsContact C-N 3.33Å; T295-I297 PolarHBondContact O-N 3.23Å; I297-K301 HydrophobicContact CG2-CD 4.21Å; I297-K301 VanDerWaalsContact O-CG 3.3Å; I297-K301 WeakPolarHBondContact O-CG 3.34Å; I297-K301 PolarHBondContact O-N 3.27Å; I297-K301 VanDerWaalsContact O-N 3.08Å; I297-V307 HydrophobicContact CG1-CG1 4.12Å; I297-V307 HydrophobicContact CG2-CG1 4.12Å
298	E	98.3	Very high	97.9	Very high	78 Å²	78	44.5 Å²	44.5	36%	0.364	22%	0.218	S	C	.	.	H	α-helix	trans	-64.7	-46.9	178.3	-72.3	165.7	-173.2	0	0	111.3	R112 Q294 T295 A300 K301 E302	R112-E298 IonicContact CZ-OE1 2.69Å; R112-E298 IonicContact CZ-OE2 3.66Å; R112-E298 IonicContact NH1-OE1 3.74Å; R112-E298 IonicContact NH1-OE2 3.74Å; R112-E298 PolarHBondContact NH1-OE2 3.09Å; R112-E298 VanDerWaalsContact NH2-CD 3.3Å; R112-E298 IonicContact NH2-OE1 3.56Å; R112-E298 PolarHBondContact NH2-OE1 2.81Å; R112-E298 IonicContact NH2-OE2 3.39Å; R112-E298 PolarHBondContact NH2-OE2 3.06Å; Q294-E298 VanDerWaalsContact CG-OE1 3.25Å; Q294-E298 WeakPolarHBondContact CG-OE1 3.41Å; Q294-E298 PolarHBondContact NE2-OE1 2.85Å; Q294-E298 WeakPolarHBondContact O-CG 3.25Å; Q294-E298 PolarHBondContact O-N 3.12Å; T295-E298 PolarHBondContact O-N 3.36Å; E298-A300 PolarHBondContact O-N 2.92Å; E298-K301 PolarHBondContact O-N 3.47Å; E298-E302 PolarHBondContact O-N 3.12Å
299	L	98	Very high	97.7	Very high	17 Å²	17	48.1 Å²	48.1	9%	0.089	24%	0.238	C	C	.	.	H	α-helix	trans	-61.2	-43.9	175.4	-72.6	172.4	0	0	0	112.3	T295 I296 K301 E302 W303 A370 I371	T295-L299 HydrophobicContact CG2-CD1 4.04Å; T295-L299 HydrophobicContact CG2-CG 4.43Å; T295-L299 WeakPolarHBondContact O-CG 3.38Å; T295-L299 PolarHBondContact O-N 3.15Å; I296-L299 PolarHBondContact O-N 2.84Å; L299-K301 VanDerWaalsContact C-N 3.31Å; L299-K301 PolarHBondContact O-N 2.97Å; L299-E302 WeakPolarHBondContact O-CB 3.42Å; L299-E302 PolarHBondContact O-N 2.87Å; L299-W303 HydrophobicContact CB-CE3 4.49Å; L299-W303 HydrophobicContact CB-CH2 3.93Å; L299-W303 HydrophobicContact CB-CZ2 3.99Å; L299-W303 HydrophobicContact CB-CZ3 4.2Å; L299-W303 HydrophobicContact CD1-CH2 4.17Å; L299-W303 HydrophobicContact CD1-CZ2 4.37Å; L299-W303 HydrophobicContact CD2-CZ2 4.01Å; L299-W303 HydrophobicContact CG-CH2 4.47Å; L299-W303 HydrophobicContact CG-CZ2 4.35Å; L299-W303 VanDerWaalsContact O-CD2 3.28Å; L299-W303 PolarHBondContact O-N 2.76Å; L299-A370 HydrophobicContact CD1-CB 4.03Å; L299-I371 HydrophobicContact CD1-CD1 4.38Å; L299-I371 HydrophobicContact CD1-CG1 3.81Å
300	A	97.9	Very high	97.5	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-60.5	-42.2	178.4	0	0	0	0	0	111.5	L278 I296 E298 W303 V304 I305 V307	L278-A300 HydrophobicContact CD2-CB 3.87Å; I296-A300 WeakPolarHBondContact O-CB 3.44Å; I296-A300 PolarHBondContact O-N 3.06Å; E298-A300 PolarHBondContact O-N 2.92Å; A300-W303 CarbonylContact O-C 3.57Å; A300-W303 PolarHBondContact O-N 3.12Å; A300-V304 PolarHBondContact O-N 2.9Å; A300-I305 HydrophobicContact CB-CB 4.16Å; A300-I305 WeakPolarHBondContact O-CA 3.32Å; A300-I305 WeakPolarHBondContact O-CB 3.28Å; A300-I305 PolarHBondContact O-N 2.88Å; A300-V307 HydrophobicContact CB-CG2 3.58Å
301	K	97.4	Very high	97.4	Very high	136 Å²	136	53 Å²	53	59%	0.591	26%	0.26	S	S	*	.	H	α-helix	trans	-63	-42.2	175	-73.7	171.7	179.4	179.1	0	112.1	I297 E298 L299 W303 V304 V307	I297-K301 HydrophobicContact CG2-CD 4.21Å; I297-K301 VanDerWaalsContact O-CG 3.3Å; I297-K301 WeakPolarHBondContact O-CG 3.34Å; I297-K301 PolarHBondContact O-N 3.27Å; I297-K301 VanDerWaalsContact O-N 3.08Å; E298-K301 PolarHBondContact O-N 3.47Å; L299-K301 VanDerWaalsContact C-N 3.31Å; L299-K301 PolarHBondContact O-N 2.97Å; K301-W303 VanDerWaalsContact C-N 3.27Å; K301-W303 PolarHBondContact O-N 2.58Å; K301-V304 PolarHBondContact O-N 2.93Å; K301-V307 HydrophobicContact CG-CG2 4.26Å
302	E	97.4	Very high	97.3	Very high	148 Å²	148	53.3 Å²	53.3	69%	0.692	26%	0.261	S	S	*	.	H	α-helix	trans	-62.2	-36	175.7	-169.6	-178	160.9	0	0	111.9	E298 L299 V304	E298-E302 PolarHBondContact O-N 3.12Å; L299-E302 WeakPolarHBondContact O-CB 3.42Å; L299-E302 PolarHBondContact O-N 2.87Å; E302-V304 PolarHBondContact O-N 3.22Å
303	W	97.6	Very high	97.2	Very high	50 Å²	50	56.5 Å²	56.5	19%	0.189	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	10.3	174.8	-56.1	-22.7	0	0	0	114	L299 A300 K301 I305 L363 R366 A370	L299-W303 HydrophobicContact CB-CE3 4.49Å; L299-W303 HydrophobicContact CB-CH2 3.93Å; L299-W303 HydrophobicContact CB-CZ2 3.99Å; L299-W303 HydrophobicContact CB-CZ3 4.2Å; L299-W303 HydrophobicContact CD1-CH2 4.17Å; L299-W303 HydrophobicContact CD1-CZ2 4.37Å; L299-W303 HydrophobicContact CD2-CZ2 4.01Å; L299-W303 HydrophobicContact CG-CH2 4.47Å; L299-W303 HydrophobicContact CG-CZ2 4.35Å; L299-W303 VanDerWaalsContact O-CD2 3.28Å; L299-W303 PolarHBondContact O-N 2.76Å; A300-W303 CarbonylContact O-C 3.57Å; A300-W303 PolarHBondContact O-N 3.12Å; K301-W303 VanDerWaalsContact C-N 3.27Å; K301-W303 PolarHBondContact O-N 2.58Å; W303-I305 HydrophobicContact CB-CD1 4.35Å; W303-I305 HydrophobicContact CB-CG1 4.29Å; W303-I305 HydrophobicContact CE3-CD1 4.27Å; W303-I305 PolarHBondContact O-N 3.5Å; W303-L363 HydrophobicContact CE3-CD1 4.23Å; W303-L363 HydrophobicContact CZ3-CD1 4.08Å; W303-R366 VanDerWaalsContact CD2-NE 3.3Å; W303-R366 HydrophobicContact CE3-CG 4.3Å; W303-R366 HydrophobicContact CH2-CB 4.43Å; W303-R366 HydrophobicContact CH2-CG 3.63Å; W303-R366 HydrophobicContact CZ2-CG 4.08Å; W303-R366 HydrophobicContact CZ3-CB 4.37Å; W303-R366 HydrophobicContact CZ3-CG 3.75Å; W303-A370 HydrophobicContact CH2-CB 3.84Å; W303-A370 HydrophobicContact CZ2-CB 3.68Å
304	V	96.8	Very high	97.1	Very high	136 Å²	136	56 Å²	56	82%	0.824	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.9	27.5	178.9	-155.4	0	0	0	0	112.4	A300 K301 E302	A300-V304 PolarHBondContact O-N 2.9Å; K301-V304 PolarHBondContact O-N 2.93Å; E302-V304 PolarHBondContact O-N 3.22Å
305	I	96.7	Very high	96.9	Very high	26 Å²	26	55.8 Å²	55.8	13%	0.133	28%	0.277	C	S	.	.			trans	-85.3	124.3	169.7	-59.5	174.4	0	0	0	107.5	Y268 L278 A300 W303 V307 L363	Y268-I305 HydrophobicContact CE2-CG2 4.04Å; L278-I305 HydrophobicContact CB-CG2 4.02Å; A300-I305 HydrophobicContact CB-CB 4.16Å; A300-I305 WeakPolarHBondContact O-CA 3.32Å; A300-I305 WeakPolarHBondContact O-CB 3.28Å; A300-I305 PolarHBondContact O-N 2.88Å; W303-I305 HydrophobicContact CB-CD1 4.35Å; W303-I305 HydrophobicContact CB-CG1 4.29Å; W303-I305 HydrophobicContact CE3-CD1 4.27Å; W303-I305 PolarHBondContact O-N 3.5Å; I305-V307 PolarHBondContact O-N 2.92Å; I305-L363 HydrophobicContact CD1-CD1 3.49Å; I305-L363 VanDerWaalsContact CD1-CD1 3.49Å; I305-L363 HydrophobicContact CD1-CD2 4.31Å
306	K	97.3	Very high	96.7	Very high	77 Å²	77	59 Å²	59	34%	0.335	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	124	175.6	-174.4	-178.8	173.4	-149.8	0	109.7	E277 L278	E277-K306 WeakPolarHBondContact CA-O 3.3Å; E277-K306 HydrophobicContact CB-CB 4.11Å; E277-K306 HydrophobicContact CB-CD 4.32Å; E277-K306 HydrophobicContact CB-CG 4.35Å; E277-K306 WeakPolarHBondContact CB-O 3.49Å; E277-K306 WeakPolarHBondContact OE2-CE 3.46Å; E277-K306 IonicContact OE2-NZ 3.77Å; E277-K306 PolarHBondContact OE2-NZ 2.69Å; L278-K306 PolarHBondContact N-O 3.14Å
307	V	97.6	Very high	96.6	Very high	30 Å²	30	59.4 Å²	59.4	18%	0.182	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	134	177.9	-173.1	0	0	0	0	110	L278 I297 A300 K301 I305	L278-V307 HydrophobicContact CB-CG2 4.45Å; L278-V307 HydrophobicContact CD2-CG2 4.44Å; L278-V307 CarbonylContact O-C 3.49Å; L278-V307 VanDerWaalsContact O-CA 3.29Å; L278-V307 WeakPolarHBondContact O-CA 3.47Å; I297-V307 HydrophobicContact CG1-CG1 4.12Å; I297-V307 HydrophobicContact CG2-CG1 4.12Å; A300-V307 HydrophobicContact CB-CG2 3.58Å; K301-V307 HydrophobicContact CG-CG2 4.26Å; I305-V307 PolarHBondContact O-N 2.92Å
308	R	96.6	Very high	96.4	Very high	65 Å²	65	60.3 Å²	60.3	25%	0.245	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	127.2	172.9	-72.4	-179.5	167.9	170.3	-12.2	111	E272 E277 L278 I279 T280 Q310	E272-R308 IonicContact OE1-NH1 2.93Å; E277-R308 WeakPolarHBondContact OE1-CD 3.49Å; E277-R308 IonicContact OE1-CZ 3.89Å; E277-R308 IonicContact OE1-NE 2.98Å; E277-R308 IonicContact OE1-NH1 2.67Å; E277-R308 PolarHBondContact OE1-NH1 3.49Å; E277-R308 IonicContact OE2-CZ 3.1Å; E277-R308 IonicContact OE2-NE 2.68Å; E277-R308 PolarHBondContact OE2-NE 2.86Å; E277-R308 IonicContact OE2-NH1 2.82Å; E277-R308 PolarHBondContact OE2-NH1 3.43Å; E277-R308 VanDerWaalsContact OE2-NH1 3.15Å; L278-R308 PolarHBondContact O-N 3.16Å; I279-R308 WeakPolarHBondContact CA-O 3.37Å; I279-R308 HydrophobicContact CG1-CB 4.39Å; T280-R308 PolarHBondContact N-O 3.23Å; T280-R308 VanDerWaalsContact N-O 3.15Å; R308-Q310 HydrophobicContact CB-CB 4.41Å; R308-Q310 PolarHBondContact O-N 3.42Å
309	D	95	Very high	96.2	Very high	88 Å²	88	60 Å²	60	47%	0.471	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	88.6	166.5	-71.2	-26.9	0	0	0	107.6	T280 P282 R293	T280-D309 VanDerWaalsContact CG2-OD1 3.31Å; T280-D309 WeakPolarHBondContact CG2-OD1 3.19Å; T280-D309 WeakPolarHBondContact O-CA 3.5Å; P282-D309 HydrophobicContact CB-CB 4.38Å; R293-D309 IonicContact CZ-OD1 3.47Å; R293-D309 IonicContact NH2-OD1 3.82Å; R293-D309 PolarHBondContact NH2-OD1 2.82Å; R293-D309 IonicContact NH2-OD2 2.8Å
310	Q	95.2	Very high	96	Very high	90 Å²	90	60.2 Å²	60.2	42%	0.421	31%	0.308	S	S	.	.			trans	-137.8	143.6	-172.7	-174.3	177.4	-25.6	0	0	111	I279 T280 R308 L312	I279-Q310 HydrophobicContact CG2-CB 4.31Å; T280-Q310 PolarHBondContact O-N 3.2Å; R308-Q310 HydrophobicContact CB-CB 4.41Å; R308-Q310 PolarHBondContact O-N 3.42Å; Q310-L312 PolarHBondContact O-N 3.4Å
311	P	95.5	Very high	95.7	Very high	52 Å²	52	62.7 Å²	62.7	34%	0.338	32%	0.324	S	S	.	.			trans	-55.5	136.6	170.8	-25.7	35.4	0	0	0	112.1	I256 P282 F313	I256-P311 HydrophobicContact CG2-CB 4.27Å; P282-P311 HydrophobicContact CG-CG 4.28Å; P311-F313 HydrophobicContact CB-CE2 4.47Å; P311-F313 HydrophobicContact CB-CZ 4.27Å
312	L	95.3	Very high	95.5	Very high	13 Å²	13	63.6 Å²	63.6	7%	0.068	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	142.4	173.8	-73.4	167.4	0	0	0	108.3	I256 I257 V267 I279 Q310	I256-L312 CarbonylContact C-O 3.54Å; I256-L312 WeakPolarHBondContact CA-O 3.34Å; I257-L312 HydrophobicContact CB-CB 4.29Å; I257-L312 HydrophobicContact CD1-CB 4.27Å; I257-L312 PolarHBondContact N-O 2.88Å; V267-L312 HydrophobicContact CB-CD1 4.05Å; V267-L312 HydrophobicContact CG2-CD1 3.64Å; I279-L312 HydrophobicContact CB-CD1 4.16Å; I279-L312 HydrophobicContact CB-CD2 4.2Å; I279-L312 HydrophobicContact CB-CG 4.42Å; I279-L312 HydrophobicContact CD1-CD2 4.1Å; I279-L312 HydrophobicContact CG2-CD1 3.66Å; I279-L312 HydrophobicContact CG2-CD2 3.71Å; I279-L312 HydrophobicContact CG2-CG 3.59Å; Q310-L312 PolarHBondContact O-N 3.4Å
313	F	96.9	Very high	95.4	Very high	74 Å²	74	58.7 Å²	58.7	33%	0.325	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	134.7	-178.1	-54.3	-88.6	0	0	0	109.4	E254 I256 P311 T315 L316 L317	E254-F313 HydrophobicContact CB-CD1 3.79Å; E254-F313 HydrophobicContact CB-CE1 3.82Å; E254-F313 HydrophobicContact CG-CE1 4.48Å; I256-F313 HydrophobicContact CD1-CE1 4.39Å; I256-F313 HydrophobicContact CG1-CD1 3.92Å; I256-F313 HydrophobicContact CG1-CE1 3.72Å; P311-F313 HydrophobicContact CB-CE2 4.47Å; P311-F313 HydrophobicContact CB-CZ 4.27Å; F313-T315 PolarHBondContact O-N 2.83Å; F313-L316 HydrophobicContact CB-CB 4.21Å; F313-L316 PolarHBondContact O-N 3.46Å; F313-L317 PolarHBondContact O-N 3.45Å
314	L	97.1	Very high	95.3	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-61.1	-46.1	-176.6	178.8	63.2	0	0	0	111.9	A208 L248 L250 E255 I257 L316 L317 I318 I342 Y344	A208-L314 HydrophobicContact CB-CD2 3.84Å; L248-L314 HydrophobicContact CD2-CD1 3.84Å; L250-L314 HydrophobicContact CD1-CD2 3.55Å; L250-L314 HydrophobicContact CD2-CB 3.91Å; L250-L314 HydrophobicContact CD2-CD2 3.95Å; L250-L314 HydrophobicContact CD2-CG 4.42Å; L250-L314 HydrophobicContact CG-CD2 4.37Å; E255-L314 HydrophobicContact CB-CB 4.25Å; E255-L314 PolarHBondContact O-N 2.98Å; I257-L314 HydrophobicContact CD1-CB 4.29Å; I257-L314 HydrophobicContact CD1-CD1 4.37Å; I257-L314 HydrophobicContact CG1-CB 4.02Å; L314-L316 VanDerWaalsContact C-N 3.3Å; L314-L316 PolarHBondContact O-N 3.1Å; L314-L317 PolarHBondContact O-N 2.79Å; L314-L317 VanDerWaalsContact O-N 3.13Å; L314-I318 HydrophobicContact CD1-CG2 3.77Å; L314-I318 HydrophobicContact CG-CG2 4.3Å; L314-I318 WeakPolarHBondContact O-CG1 3.49Å; L314-I318 PolarHBondContact O-N 2.95Å; L314-I342 HydrophobicContact CD1-CD1 4.42Å; L314-I342 HydrophobicContact CD1-CG2 4.31Å; L314-Y344 HydrophobicContact CD2-CD2 3.4Å; L314-Y344 VanDerWaalsContact CD2-CD2 3.4Å; L314-Y344 HydrophobicContact CD2-CE2 3.62Å; L314-Y344 HydrophobicContact CD2-CG 3.97Å
315	T	94	Very high	95.3	Very high	72 Å²	72	51.2 Å²	51.2	44%	0.442	27%	0.266	S	S	.	.	H	α-helix	trans	-58.5	-40.6	-179.8	52.1	0	0	0	0	112.4	F313 I318 S319	F313-T315 PolarHBondContact O-N 2.83Å; T315-I318 WeakPolarHBondContact O-CG1 3.48Å; T315-S319 WeakPolarHBondContact O-CB 3.06Å; T315-S319 PolarHBondContact O-N 3.45Å; T315-S319 PolarHBondContact O-OG 2.97Å
316	L	94.4	Very high	95.3	Very high	75 Å²	75	50 Å²	50	39%	0.393	26%	0.259	S	S	.	.	H	α-helix	trans	-62.7	-57.3	171.8	177.5	62.1	0	0	0	109.7	F313 L314 I318 S319 I320	F313-L316 HydrophobicContact CB-CB 4.21Å; F313-L316 PolarHBondContact O-N 3.46Å; L314-L316 VanDerWaalsContact C-N 3.3Å; L314-L316 PolarHBondContact O-N 3.1Å; L316-I318 VanDerWaalsContact C-N 3.3Å; L316-I318 PolarHBondContact O-N 3.41Å; L316-S319 WeakPolarHBondContact O-CA 3.22Å; L316-S319 WeakPolarHBondContact O-CB 3.39Å; L316-S319 PolarHBondContact O-N 2.86Å; L316-S319 PolarHBondContact O-OG 3.18Å; L316-I320 HydrophobicContact CD1-CD1 4.16Å; L316-I320 HydrophobicContact CG-CD1 4.17Å; L316-I320 WeakPolarHBondContact O-CG1 3.15Å; L316-I320 PolarHBondContact O-N 3.49Å
317	L	95.2	Very high	95.3	Very high	8 Å²	8	46.5 Å²	46.5	4%	0.042	24%	0.244	C	C	.	.	H	α-helix	trans	-53.2	-44.3	-174.3	-176.2	69.4	0	0	0	113.1	I257 V267 F313 L314 S319 V324 I327 I342	I257-L317 HydrophobicContact CD1-CB 4.15Å; I257-L317 HydrophobicContact CD1-CD2 3.54Å; I257-L317 HydrophobicContact CD1-CG 4.48Å; V267-L317 HydrophobicContact CG1-CD1 3.97Å; V267-L317 HydrophobicContact CG2-CD1 4.39Å; F313-L317 PolarHBondContact O-N 3.45Å; L314-L317 PolarHBondContact O-N 2.79Å; L314-L317 VanDerWaalsContact O-N 3.13Å; L317-S319 VanDerWaalsContact C-N 3.28Å; L317-S319 PolarHBondContact O-N 3.29Å; L317-V324 HydrophobicContact CD1-CG2 3.7Å; L317-I327 HydrophobicContact CD1-CD1 3.98Å; L317-I327 HydrophobicContact CD2-CD1 3.78Å; L317-I327 HydrophobicContact CG-CD1 4.22Å; L317-I342 HydrophobicContact CD2-CD1 4.13Å
318	I	94.6	Very high	95.3	Very high	32 Å²	32	45.1 Å²	45.1	16%	0.164	24%	0.236	C	C	.	.	H	α-helix	trans	-73.8	-16.8	179.9	67.8	-177.6	0	0	0	113.6	L314 T315 L316 Y344 H353	L314-I318 HydrophobicContact CD1-CG2 3.77Å; L314-I318 HydrophobicContact CG-CG2 4.3Å; L314-I318 WeakPolarHBondContact O-CG1 3.49Å; L314-I318 PolarHBondContact O-N 2.95Å; T315-I318 WeakPolarHBondContact O-CG1 3.48Å; L316-I318 VanDerWaalsContact C-N 3.3Å; L316-I318 PolarHBondContact O-N 3.41Å; I318-Y344 HydrophobicContact CD1-CD1 4.02Å; I318-Y344 HydrophobicContact CD1-CE1 4.29Å; I318-H353 HydrophobicContact CG2-CB 4.22Å
319	S	94.2	Very high	95.4	Very high	71 Å²	71	42 Å²	42	50%	0.497	22%	0.224	S	C	.	.	H	α-helix	trans	-85.8	-19.5	178.3	75.8	0	0	0	0	113.8	T315 L316 L317 P321	T315-S319 WeakPolarHBondContact O-CB 3.06Å; T315-S319 PolarHBondContact O-N 3.45Å; T315-S319 PolarHBondContact O-OG 2.97Å; L316-S319 WeakPolarHBondContact O-CA 3.22Å; L316-S319 WeakPolarHBondContact O-CB 3.39Å; L316-S319 PolarHBondContact O-N 2.86Å; L316-S319 PolarHBondContact O-OG 3.18Å; L317-S319 VanDerWaalsContact C-N 3.28Å; L317-S319 PolarHBondContact O-N 3.29Å; S319-P321 WeakPolarHBondContact O-CD 3.31Å
320	I	93	Very high	95.5	Very high	22 Å²	22	37.8 Å²	37.8	11%	0.113	20%	0.201	C	C	.	.			trans	-123.2	43.7	-177.1	57.7	166.3	0	0	0	113.7	W269 L316 F322 L323	W269-I320 HydrophobicContact CE3-CD1 3.57Å; W269-I320 HydrophobicContact CZ3-CD1 3.27Å; L316-I320 HydrophobicContact CD1-CD1 4.16Å; L316-I320 HydrophobicContact CG-CD1 4.17Å; L316-I320 WeakPolarHBondContact O-CG1 3.15Å; L316-I320 PolarHBondContact O-N 3.49Å; I320-F322 HydrophobicContact CB-CE1 4.29Å; I320-F322 HydrophobicContact CB-CZ 4.31Å; I320-F322 HydrophobicContact CG2-CE1 4.29Å; I320-F322 HydrophobicContact CG2-CZ 4.07Å; I320-F322 PolarHBondContact O-N 2.98Å; I320-L323 HydrophobicContact CB-CB 4.38Å; I320-L323 HydrophobicContact CB-CD1 4.12Å; I320-L323 HydrophobicContact CB-CG 4.33Å; I320-L323 HydrophobicContact CD1-CB 4.46Å; I320-L323 HydrophobicContact CD1-CD1 4.22Å; I320-L323 HydrophobicContact CG2-CD1 4.25Å; I320-L323 PolarHBondContact O-N 3.14Å
321	P	91.9	Very high	95.5	Very high	52 Å²	52	34.2 Å²	34.2	34%	0.338	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-20.2	-177.8	27.9	-35.9	0	0	0	112.8	S319 L323 V324	S319-P321 WeakPolarHBondContact O-CD 3.31Å; P321-L323 VanDerWaalsContact C-N 3.33Å; P321-V324 PolarHBondContact O-N 3.09Å
322	F	92.8	Very high	95.4	Very high	154 Å²	154	33.4 Å²	33.4	68%	0.675	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-17.5	176	59.3	-91.5	0	0	0	114.3	I320	I320-F322 HydrophobicContact CB-CE1 4.29Å; I320-F322 HydrophobicContact CB-CZ 4.31Å; I320-F322 HydrophobicContact CG2-CE1 4.29Å; I320-F322 HydrophobicContact CG2-CZ 4.07Å; I320-F322 PolarHBondContact O-N 2.98Å
323	L	95.8	Very high	95.1	Very high	46 Å²	46	34.5 Å²	34.5	24%	0.241	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.4	-17.7	172.8	-63.3	-179.8	0	0	0	112.4	W269 I270 I320 P321	W269-L323 CarbonylContact C-O 3.54Å; W269-L323 VanDerWaalsContact CA-O 3.28Å; W269-L323 WeakPolarHBondContact CA-O 3.35Å; W269-L323 WeakPolarHBondContact CB-O 3.37Å; I270-L323 HydrophobicContact CB-CD2 4.32Å; I270-L323 PolarHBondContact N-O 3.48Å; I320-L323 HydrophobicContact CB-CB 4.38Å; I320-L323 HydrophobicContact CB-CD1 4.12Å; I320-L323 HydrophobicContact CB-CG 4.33Å; I320-L323 HydrophobicContact CD1-CB 4.46Å; I320-L323 HydrophobicContact CD1-CD1 4.22Å; I320-L323 HydrophobicContact CG2-CD1 4.25Å; I320-L323 PolarHBondContact O-N 3.14Å; P321-L323 VanDerWaalsContact C-N 3.33Å
324	V	96	Very high	94.7	Very high	8 Å²	8	31.6 Å²	31.6	5%	0.048	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	129.1	178.9	178.3	0	0	0	0	109.6	L317 P321 I327 I355 P356	L317-V324 HydrophobicContact CD1-CG2 3.7Å; P321-V324 PolarHBondContact O-N 3.09Å; V324-I327 HydrophobicContact CG1-CD1 3.96Å; V324-I327 HydrophobicContact CG1-CG1 3.63Å; V324-I355 HydrophobicContact CG1-CG2 4.18Å; V324-P356 WeakPolarHBondContact O-CG 3.06Å
325	I	96.8	Very high	94.6	Very high	21 Å²	21	32.1 Å²	32.1	11%	0.108	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	-54.9	175.2	-53.6	173.1	0	0	0	108.9	Y268 I270 K276 H360	Y268-I325 HydrophobicContact CD1-CB 3.83Å; Y268-I325 HydrophobicContact CD1-CD1 3.95Å; Y268-I325 HydrophobicContact CD1-CG1 4.47Å; Y268-I325 HydrophobicContact CD1-CG2 3.87Å; Y268-I325 HydrophobicContact CE1-CB 4.39Å; Y268-I325 HydrophobicContact CE1-CD1 3.77Å; Y268-I325 HydrophobicContact CE1-CG2 4.17Å; Y268-I325 WeakPolarHBondContact O-CA 3.37Å; Y268-I325 WeakPolarHBondContact O-CB 3.4Å; Y268-I325 PolarHBondContact O-N 2.9Å; I270-I325 HydrophobicContact CG1-CD1 4.07Å; I270-I325 HydrophobicContact CG1-CG1 4.38Å; K276-I325 HydrophobicContact CD-CD1 3.74Å; K276-I325 HydrophobicContact CG-CD1 3.89Å; I325-H360 HydrophobicContact CG2-CB 3.95Å
326	E	97.1	Very high	94.6	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.005	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	145.8	-178.9	-66.7	175.7	-116.2	0	0	111.8	Y268 F328 T357 H360 A361 E362 L363 S364	Y268-E326 PolarHBondContact N-O 3.47Å; Y268-E326 PolarHBondContact O-N 3.08Å; E326-F328 HydrophobicContact CB-CD1 4.36Å; E326-T357 HydrophobicContact CB-CG2 4.01Å; E326-T357 HydrophobicContact CG-CG2 4.14Å; E326-H360 VanDerWaalsContact CD-O 3.23Å; E326-H360 WeakPolarHBondContact CG-O 3.39Å; E326-A361 WeakPolarHBondContact OE2-CA 3.15Å; E326-E362 PolarHBondContact OE1-N 2.91Å; E326-E362 VanDerWaalsContact OE1-N 3.14Å; E326-L363 VanDerWaalsContact OE1-CB 3.3Å; E326-L363 WeakPolarHBondContact OE1-CB 3.44Å; E326-L363 PolarHBondContact OE1-N 3.49Å; E326-S364 WeakPolarHBondContact OE2-CB 3.31Å; E326-S364 PolarHBondContact OE2-N 3.34Å; E326-S364 PolarHBondContact OE2-OG 2.99Å
327	I	97.3	Very high	94.7	Very high	3 Å²	3	25.3 Å²	25.3	2%	0.015	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	132.6	166.2	-55.8	-172.6	0	0	0	108.2	L265 F266 V267 L317 V324 I339 I355 T357	L265-I327 HydrophobicContact CD1-CG2 3.54Å; F266-I327 WeakPolarHBondContact O-CA 3.38Å; V267-I327 HydrophobicContact CG1-CG1 4.35Å; V267-I327 HydrophobicContact CG2-CD1 4.37Å; V267-I327 HydrophobicContact CG2-CG1 4.24Å; V267-I327 HydrophobicContact CG2-CG2 4.35Å; L317-I327 HydrophobicContact CD1-CD1 3.98Å; L317-I327 HydrophobicContact CD2-CD1 3.78Å; L317-I327 HydrophobicContact CG-CD1 4.22Å; V324-I327 HydrophobicContact CG1-CD1 3.96Å; V324-I327 HydrophobicContact CG1-CG1 3.63Å; I327-I339 HydrophobicContact CB-CB 4.09Å; I327-I339 HydrophobicContact CB-CG1 4.41Å; I327-I339 HydrophobicContact CG2-CB 3.96Å; I327-I339 HydrophobicContact CG2-CG1 3.83Å; I327-I339 PolarHBondContact O-N 3.49Å; I327-I355 HydrophobicContact CB-CG2 4.01Å; I327-I355 HydrophobicContact CD1-CD1 4.12Å; I327-I355 HydrophobicContact CD1-CG1 4.31Å; I327-I355 HydrophobicContact CD1-CG2 3.58Å; I327-I355 HydrophobicContact CG1-CG2 3.62Å; I327-T357 PolarHBondContact N-OG1 2.88Å; I327-T357 WeakPolarHBondContact O-CG2 3.15Å; I327-T357 PolarHBondContact O-OG1 3.34Å
328	F	97.7	Very high	94.7	Very high	0 Å²	0	25 Å²	25	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	147.3	177	55.7	-90.5	0	0	0	112.8	F266 L278 I296 E326 V336 S337 L363	F266-F328 HydrophobicContact CB-CD1 4.44Å; F266-F328 HydrophobicContact CB-CD2 3.9Å; F266-F328 HydrophobicContact CB-CE1 4.07Å; F266-F328 HydrophobicContact CB-CE2 3.46Å; F266-F328 VanDerWaalsContact CB-CE2 3.46Å; F266-F328 HydrophobicContact CB-CG 4.37Å; F266-F328 HydrophobicContact CB-CZ 3.56Å; F266-F328 HydrophobicContact CD2-CD2 4.19Å; F266-F328 AromaticContact CD2-CE2 3.7Å; F266-F328 HydrophobicContact CD2-CE2 3.7Å; F266-F328 HydrophobicContact CD2-CZ 4.48Å; F266-F328 HydrophobicContact CG-CD2 4.37Å; F266-F328 AromaticContact CG-CE2 3.69Å; F266-F328 HydrophobicContact CG-CE2 3.69Å; F266-F328 HydrophobicContact CG-CZ 4.03Å; F266-F328 PolarHBondContact N-O 3.05Å; F266-F328 PolarHBondContact O-N 3.41Å; L278-F328 HydrophobicContact CD1-CE1 4.39Å; L278-F328 HydrophobicContact CD1-CZ 4.12Å; I296-F328 HydrophobicContact CD1-CE2 4.08Å; I296-F328 HydrophobicContact CG2-CE2 4.38Å; E326-F328 HydrophobicContact CB-CD1 4.36Å; F328-V336 HydrophobicContact CB-CG1 3.89Å; F328-V336 HydrophobicContact CD2-CG1 3.81Å; F328-V336 HydrophobicContact CD2-CG2 4.48Å; F328-V336 HydrophobicContact CG-CG1 3.95Å; F328-S337 CarbonylContact C-O 3.59Å; F328-S337 WeakPolarHBondContact CA-O 3.41Å; F328-S337 WeakPolarHBondContact CB-O 3.47Å; F328-L363 HydrophobicContact CE1-CD2 4.48Å
329	G	97.7	Very high	94.8	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	157.1	166.6	0	0	0	0	0	111.5	N264 V336 S337	N264-G329 CarbonylContact O-C 3.46Å; N264-G329 VanDerWaalsContact O-CA 3.25Å; N264-G329 WeakPolarHBondContact O-CA 3.48Å; G329-V336 CarbonylContact O-C 3.49Å; G329-V336 WeakPolarHBondContact O-CA 3.43Å; G329-S337 PolarHBondContact N-O 3.29Å; G329-S337 PolarHBondContact O-N 3.22Å
330	S	98	Very high	94.8	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	140.1	174	68.5	0	0	0	0	112.7	M263 N264 F266 I335	M263-S330 CarbonylContact C-O 3.54Å; M263-S330 VanDerWaalsContact CA-O 3.28Å; M263-S330 WeakPolarHBondContact CA-O 3.22Å; M263-S330 VanDerWaalsContact CB-O 3.27Å; M263-S330 WeakPolarHBondContact CB-O 3.44Å; N264-S330 PolarHBondContact N-O 2.92Å; N264-S330 PolarHBondContact O-N 2.62Å; N264-S330 PolarHBondContact O-OG 2.94Å; F266-S330 WeakPolarHBondContact CE2-OG 3.49Å; S330-I335 VanDerWaalsContact CA-O 3.28Å; S330-I335 WeakPolarHBondContact CA-O 3.42Å
331	G	95.6	Very high	95	Very high	14 Å²	14	23.9 Å²	23.9	14%	0.144	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-179.9	164.1	178.1	0	0	0	0	0	112.9	T292 A333 V334 I335	T292-G331 VanDerWaalsContact OG1-C 3.32Å; G331-A333 PolarHBondContact O-N 2.91Å; G331-V334 PolarHBondContact O-N 2.91Å; G331-I335 PolarHBondContact N-O 2.8Å; G331-I335 WeakPolarHBondContact O-CA 3.47Å; G331-I335 PolarHBondContact O-N 2.84Å
332	T	92.6	Very high	95.3	Very high	35 Å²	35	21.5 Å²	21.5	22%	0.215	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-33	-173.8	-48.4	0	0	0	0	113.5	G97 K99 Y161 T292	G97-T332 WeakPolarHBondContact O-CG2 3.17Å; G97-T332 PolarHBondContact O-OG1 3.48Å; G97-T332 VanDerWaalsContact O-OG1 3.04Å; K99-T332 HydrophobicContact CD-CG2 4.09Å; K99-T332 WeakPolarHBondContact CE-O 3.34Å; K99-T332 HydrophobicContact CG-CG2 4Å; K99-T332 PolarHBondContact NZ-O 2.83Å; Y161-T332 HydrophobicContact CE2-CG2 4.37Å; T292-T332 PolarHBondContact OG1-N 2.98Å
333	A	88.4	Confident	95.5	Very high	36 Å²	36	14.9 Å²	14.9	30%	0.298	9%	0.087	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-51.9	-177.8	0	0	0	0	0	112.1	K99 G331	K99-A333 PolarHBondContact NZ-O 2.86Å; G331-A333 PolarHBondContact O-N 2.91Å
334	V	89.6	Confident	95.6	Very high	13 Å²	13	13.2 Å²	13.2	8%	0.079	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.1	-11.1	-170.2	-57.6	0	0	0	0	114.4	Y193 W194 M263 G331 V336	Y193-V334 HydrophobicContact CD1-CG1 3.66Å; Y193-V334 HydrophobicContact CD2-CG1 3.9Å; Y193-V334 HydrophobicContact CE1-CG1 4.13Å; Y193-V334 HydrophobicContact CE2-CG1 4.34Å; Y193-V334 HydrophobicContact CG-CG1 3.52Å; W194-V334 HydrophobicContact CZ2-CB 4.14Å; M263-V334 HydrophobicContact SD-CG2 3.45Å; M263-V334 WeakPolarHBondContact SD-CG2 3.41Å; G331-V334 PolarHBondContact O-N 2.91Å; V334-V336 PolarHBondContact O-N 2.95Å
335	I	93.7	Very high	95.6	Very high	12 Å²	12	15.4 Å²	15.4	6%	0.062	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	64.5	-68.4	-169.4	-55.5	170.8	0	0	0	111.5	T292 S330 G331 F368 I371 T372	T292-I335 HydrophobicContact CG2-CG2 4.27Å; T292-I335 WeakPolarHBondContact CG2-O 3.36Å; S330-I335 VanDerWaalsContact CA-O 3.28Å; S330-I335 WeakPolarHBondContact CA-O 3.42Å; G331-I335 PolarHBondContact N-O 2.8Å; G331-I335 WeakPolarHBondContact O-CA 3.47Å; G331-I335 PolarHBondContact O-N 2.84Å; I335-F368 HydrophobicContact CB-CD2 3.94Å; I335-F368 HydrophobicContact CB-CE2 4.17Å; I335-F368 HydrophobicContact CD1-CD2 4.41Å; I335-F368 HydrophobicContact CD1-CE2 4.07Å; I335-F368 HydrophobicContact CG2-CD2 4.11Å; I335-I371 HydrophobicContact CD1-CG2 4.34Å; I335-I371 HydrophobicContact CG2-CB 3.89Å; I335-I371 HydrophobicContact CG2-CD1 3.8Å; I335-I371 HydrophobicContact CG2-CG1 4.44Å; I335-I371 HydrophobicContact CG2-CG2 3.73Å; I335-T372 HydrophobicContact CD1-CG2 3.76Å
336	V	95.2	Very high	95.4	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	132.3	177.4	171.7	0	0	0	0	108.6	W194 L201 I296 F328 G329 V334 C367 F368	W194-V336 VanDerWaalsContact CZ2-O 3.22Å; W194-V336 WeakPolarHBondContact CZ2-O 3.28Å; L201-V336 HydrophobicContact CD1-CG1 4.1Å; I296-V336 HydrophobicContact CD1-CG2 3.96Å; F328-V336 HydrophobicContact CB-CG1 3.89Å; F328-V336 HydrophobicContact CD2-CG1 3.81Å; F328-V336 HydrophobicContact CD2-CG2 4.48Å; F328-V336 HydrophobicContact CG-CG1 3.95Å; G329-V336 CarbonylContact O-C 3.49Å; G329-V336 WeakPolarHBondContact O-CA 3.43Å; V334-V336 PolarHBondContact O-N 2.95Å; V336-C367 HydrophobicContact CG2-CB 3.96Å; V336-F368 HydrophobicContact CB-CB 4.33Å; V336-F368 HydrophobicContact CG2-CB 4.46Å
337	S	95.1	Very high	95.1	Very high	4 Å²	4	23.5 Å²	23.5	3%	0.028	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	104.2	177	180	0	0	0	0	110.4	F328 G329	F328-S337 CarbonylContact C-O 3.59Å; F328-S337 WeakPolarHBondContact CA-O 3.41Å; F328-S337 WeakPolarHBondContact CB-O 3.47Å; G329-S337 PolarHBondContact N-O 3.29Å; G329-S337 PolarHBondContact O-N 3.22Å
338	P	96	Very high	94.8	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.006	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.7	145.9	177.6	-21.4	32.8	0	0	0	112.3	L201 P203 V204 T357 M358	L201-P338 HydrophobicContact CB-CG 3.44Å; L201-P338 VanDerWaalsContact CB-CG 3.44Å; L201-P338 HydrophobicContact CD1-CG 3.79Å; L201-P338 HydrophobicContact CG-CG 4.23Å; P203-P338 CarbonylContact C-O 3.56Å; P203-P338 VanDerWaalsContact CA-O 3.27Å; P203-P338 WeakPolarHBondContact CA-O 3.37Å; P203-P338 HydrophobicContact CB-CB 4.37Å; V204-P338 PolarHBondContact N-O 3.19Å; P338-T357 HydrophobicContact CB-CG2 3.84Å; P338-M358 HydrophobicContact CB-SD 3.68Å; P338-M358 HydrophobicContact CG-SD 4.21Å
339	I	95.9	Very high	94.7	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	123.5	176.1	-51.6	-52.1	0	0	0	108.8	V204 L206 V260 I327 I342 T357	V204-I339 HydrophobicContact CG2-CD1 3.37Å; V204-I339 WeakPolarHBondContact O-CA 3.48Å; L206-I339 HydrophobicContact CD1-CD1 3.78Å; L206-I339 HydrophobicContact CD1-CG1 3.94Å; L206-I339 HydrophobicContact CD1-CG2 3.77Å; L206-I339 HydrophobicContact CD2-CD1 3.83Å; L206-I339 HydrophobicContact CG-CD1 3.9Å; L206-I339 HydrophobicContact CG-CG1 4.4Å; L206-I339 HydrophobicContact CG-CG2 3.77Å; V260-I339 HydrophobicContact CG1-CD1 4.25Å; I327-I339 HydrophobicContact CB-CB 4.09Å; I327-I339 HydrophobicContact CB-CG1 4.41Å; I327-I339 HydrophobicContact CG2-CB 3.96Å; I327-I339 HydrophobicContact CG2-CG1 3.83Å; I327-I339 PolarHBondContact O-N 3.49Å; I339-I342 HydrophobicContact CG2-CG1 4.47Å; I339-T357 WeakPolarHBondContact O-CB 3.24Å; I339-T357 PolarHBondContact O-OG1 3Å
340	N	95.2	Very high	94.7	Very high	48 Å²	48	38.5 Å²	38.5	26%	0.257	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	-16.9	175.8	65	-17.7	0	0	0	113.6	P203 V204 I355 M358	P203-N340 HydrophobicContact CB-CB 3.63Å; P203-N340 HydrophobicContact CG-CB 4.14Å; V204-N340 PolarHBondContact O-N 2.72Å; V204-N340 PolarHBondContact O-OD1 3.2Å; V204-N340 VanDerWaalsContact O-OD1 3.07Å; N340-I355 PolarHBondContact O-N 3.45Å; N340-M358 HydrophobicContact CB-CG 4.45Å
341	K	96.2	Very high	94.6	Very high	53 Å²	53	41.5 Å²	41.5	23%	0.23	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	142.2	-172.7	179.9	167.5	171.2	151.9	0	111.9	A205 L206 I343 T352 H353 E354	A205-K341 WeakPolarHBondContact CA-O 3.18Å; A205-K341 HydrophobicContact CB-CB 4.01Å; A205-K341 HydrophobicContact CB-CG 4.37Å; L206-K341 PolarHBondContact N-O 3.41Å; K341-I343 HydrophobicContact CG-CG1 4.37Å; K341-T352 HydrophobicContact CD-CG2 3.95Å; K341-T352 WeakPolarHBondContact CE-OG1 2.68Å; K341-T352 HydrophobicContact CG-CG2 4.22Å; K341-T352 PolarHBondContact NZ-OG1 3.01Å; K341-H353 WeakPolarHBondContact CA-O 3.49Å; K341-E354 IonicContact NZ-OE1 3.75Å
342	I	97.8	Very high	94.7	Very high	2 Å²	2	44.2 Å²	44.2	1%	0.01	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	121.6	168.5	-59.3	172.7	0	0	0	107.7	L206 A208 L248 L314 L317 I339 H353 I355	L206-I342 CarbonylContact O-C 3.53Å; L206-I342 WeakPolarHBondContact O-CA 3.28Å; A208-I342 HydrophobicContact CB-CG2 3.86Å; L248-I342 HydrophobicContact CD2-CD1 4Å; L248-I342 HydrophobicContact CD2-CG1 4.49Å; L248-I342 HydrophobicContact CD2-CG2 4.17Å; L314-I342 HydrophobicContact CD1-CD1 4.42Å; L314-I342 HydrophobicContact CD1-CG2 4.31Å; L317-I342 HydrophobicContact CD2-CD1 4.13Å; I339-I342 HydrophobicContact CG2-CG1 4.47Å; I342-H353 PolarHBondContact N-O 3.24Å; I342-H353 PolarHBondContact O-N 2.76Å; I342-I355 HydrophobicContact CD1-CD1 3.98Å; I342-I355 HydrophobicContact CD1-CG1 4.25Å; I342-I355 HydrophobicContact CG1-CD1 4.31Å; I342-I355 HydrophobicContact CG1-CG1 4.15Å
343	I	98	Very high	94.9	Very high	16 Å²	16	44.8 Å²	44.8	8%	0.082	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	110.6	167.8	-57.6	-172.5	0	0	0	106.8	L206 Y207 A208 H242 C244 K341 C350 T351	L206-I343 PolarHBondContact O-N 3.29Å; Y207-I343 HydrophobicContact CD2-CB 4.18Å; Y207-I343 HydrophobicContact CD2-CG2 4Å; Y207-I343 HydrophobicContact CE2-CG2 4.26Å; A208-I343 PolarHBondContact N-O 2.99Å; H242-I343 HydrophobicContact CB-CD1 4.14Å; H242-I343 WeakPolarHBondContact O-CD1 3.32Å; C244-I343 WeakPolarHBondContact SG-CD1 3.27Å; K341-I343 HydrophobicContact CG-CG1 4.37Å; I343-C350 HydrophobicContact CG2-CB 3.96Å; I343-T351 CarbonylContact C-O 3.56Å; I343-T351 WeakPolarHBondContact CA-O 3.43Å
344	Y	97.8	Very high	95.2	Very high	11 Å²	11	48.6 Å²	48.6	4%	0.043	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	122	-177.3	173.5	-135.1	0	0	0	110.2	A208 P210 E255 L314 I318 K346 C350 T351	A208-Y344 HydrophobicContact CB-CD2 4.27Å; P210-Y344 HydrophobicContact CG-CE2 3.69Å; E255-Y344 PolarHBondContact OE1-OH 3.33Å; E255-Y344 WeakPolarHBondContact OE2-CE2 3.25Å; E255-Y344 VanDerWaalsContact OE2-CZ 3.31Å; E255-Y344 PolarHBondContact OE2-OH 3.16Å; L314-Y344 HydrophobicContact CD2-CD2 3.4Å; L314-Y344 VanDerWaalsContact CD2-CD2 3.4Å; L314-Y344 HydrophobicContact CD2-CE2 3.62Å; L314-Y344 HydrophobicContact CD2-CG 3.97Å; I318-Y344 HydrophobicContact CD1-CD1 4.02Å; I318-Y344 HydrophobicContact CD1-CE1 4.29Å; Y344-K346 HydrophobicContact CE1-CB 4.2Å; Y344-K346 HydrophobicContact CE1-CD 4.18Å; Y344-C350 CarbonylContact O-C 3.57Å; Y344-C350 VanDerWaalsContact O-CA 3.32Å; Y344-C350 WeakPolarHBondContact O-CA 3.47Å; Y344-T351 PolarHBondContact N-O 2.99Å; Y344-T351 PolarHBondContact O-N 3.42Å; Y344-T351 PolarHBondContact O-OG1 2.88Å
345	K	96.7	Very high	95.5	Very high	54 Å²	54	48.5 Å²	48.5	24%	0.235	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	122.7	177.5	-173.3	-145	-171.4	-172.5	0	109.9	Y207 A208 D209 P210 G347 T349	Y207-K345 HydrophobicContact CE2-CB 4.19Å; Y207-K345 WeakPolarHBondContact OH-CD 3.34Å; A208-K345 PolarHBondContact O-N 3.49Å; D209-K345 HydrophobicContact CB-CB 4.44Å; D209-K345 HydrophobicContact CB-CD 4.2Å; D209-K345 IonicContact OD1-NZ 3.15Å; D209-K345 WeakPolarHBondContact OD2-CD 3.33Å; D209-K345 IonicContact OD2-NZ 2.74Å; D209-K345 PolarHBondContact OD2-NZ 2.82Å; P210-K345 VanDerWaalsContact CD-O 3.24Å; P210-K345 WeakPolarHBondContact CD-O 3.21Å; K345-G347 VanDerWaalsContact CE-O 3.26Å; K345-G347 WeakPolarHBondContact CE-O 3.38Å; K345-T349 CarbonylContact C-O 3.53Å; K345-T349 WeakPolarHBondContact CA-O 3.33Å
346	K	91.8	Very high	95.5	Very high	135 Å²	135	49.1 Å²	49.1	59%	0.587	27%	0.272	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.4	109.7	173.3	-166.5	169.5	-175	169.9	0	109.4	Y344 D348 T349	Y344-K346 HydrophobicContact CE1-CB 4.2Å; Y344-K346 HydrophobicContact CE1-CD 4.18Å; K346-D348 PolarHBondContact O-N 3.11Å; K346-T349 PolarHBondContact N-O 3.32Å; K346-T349 PolarHBondContact O-N 3.09Å; K346-T349 VanDerWaalsContact O-N 3.14Å; K346-T349 PolarHBondContact O-OG1 2.71Å
347	G	90.5	Very high	95.5	Very high	57 Å²	57	49.1 Å²	49.1	59%	0.588	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.5	-127.2	-167.8	0	0	0	0	0	110.6	K345 T349	K345-G347 VanDerWaalsContact CE-O 3.26Å; K345-G347 WeakPolarHBondContact CE-O 3.38Å; G347-T349 VanDerWaalsContact C-N 3.34Å
348	D	91.8	Very high	95.4	Very high	170 Å²	170	53 Å²	53	91%	0.909	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.9	4.4	177.6	-60.3	-43.4	0	0	0	113.4	K346	K346-D348 PolarHBondContact O-N 3.11Å
349	T	95.2	Very high	95.1	Very high	91 Å²	91	60.9 Å²	60.9	56%	0.558	33%	0.325	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.3	145	-178	65.7	0	0	0	0	111.6	K345 K346 G347	K345-T349 CarbonylContact C-O 3.53Å; K345-T349 WeakPolarHBondContact CA-O 3.33Å; K346-T349 PolarHBondContact N-O 3.32Å; K346-T349 PolarHBondContact O-N 3.09Å; K346-T349 VanDerWaalsContact O-N 3.14Å; K346-T349 PolarHBondContact O-OG1 2.71Å; G347-T349 VanDerWaalsContact C-N 3.34Å
350	C	96.6	Very high	94.3	Very high	57 Å²	57	66.5 Å²	66.5	39%	0.385	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	129.1	172.5	-72	0	0	0	0	110.2	I343 Y344	I343-C350 HydrophobicContact CG2-CB 3.96Å; Y344-C350 CarbonylContact O-C 3.57Å; Y344-C350 VanDerWaalsContact O-CA 3.32Å; Y344-C350 WeakPolarHBondContact O-CA 3.47Å
351	T	97.2	Very high	93.9	Very high	62 Å²	62	65.4 Å²	65.4	38%	0.38	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	147	170.4	55.5	0	0	0	0	110.3	I343 Y344 H353	I343-T351 CarbonylContact C-O 3.56Å; I343-T351 WeakPolarHBondContact CA-O 3.43Å; Y344-T351 PolarHBondContact N-O 2.99Å; Y344-T351 PolarHBondContact O-N 3.42Å; Y344-T351 PolarHBondContact O-OG1 2.88Å; T351-H353 PolarHBondContact OG1-NE2 3.07Å
352	T	97.3	Very high	93.7	Very high	72 Å²	72	69.9 Å²	69.9	44%	0.442	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	129.4	174.7	-79.3	0	0	0	0	109.4	K341	K341-T352 HydrophobicContact CD-CG2 3.95Å; K341-T352 WeakPolarHBondContact CE-OG1 2.68Å; K341-T352 HydrophobicContact CG-CG2 4.22Å; K341-T352 PolarHBondContact NZ-OG1 3.01Å
353	H	96.7	Very high	93.6	Very high	46 Å²	46	70.1 Å²	70.1	21%	0.213	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	113.8	173.4	-59.8	-87.4	0	0	0	109.3	I318 K341 I342 T351	I318-H353 HydrophobicContact CG2-CB 4.22Å; K341-H353 WeakPolarHBondContact CA-O 3.49Å; I342-H353 PolarHBondContact N-O 3.24Å; I342-H353 PolarHBondContact O-N 2.76Å; T351-H353 PolarHBondContact OG1-NE2 3.07Å
354	E	95.5	Very high	93.5	Very high	117 Å²	117	69.4 Å²	69.4	55%	0.547	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	138	174.3	-63.5	-63.7	147.7	0	0	110	K341	K341-E354 IonicContact NZ-OE1 3.75Å
355	I	94.5	Very high	93.3	Very high	11 Å²	11	72 Å²	72	6%	0.056	38%	0.381	C	S	.	.			trans	-115	127.4	-180	-52.4	-58.7	0	0	0	108.3	V324 I327 N340 I342 T357	V324-I355 HydrophobicContact CG1-CG2 4.18Å; I327-I355 HydrophobicContact CB-CG2 4.01Å; I327-I355 HydrophobicContact CD1-CD1 4.12Å; I327-I355 HydrophobicContact CD1-CG1 4.31Å; I327-I355 HydrophobicContact CD1-CG2 3.58Å; I327-I355 HydrophobicContact CG1-CG2 3.62Å; N340-I355 PolarHBondContact O-N 3.45Å; I342-I355 HydrophobicContact CD1-CD1 3.98Å; I342-I355 HydrophobicContact CD1-CG1 4.25Å; I342-I355 HydrophobicContact CG1-CD1 4.31Å; I342-I355 HydrophobicContact CG1-CG1 4.15Å; I355-T357 WeakPolarHBondContact CG2-OG1 3.27Å; I355-T357 PolarHBondContact O-N 3.3Å
356	P	94.2	Very high	93.2	Very high	25 Å²	25	74.9 Å²	74.9	16%	0.162	39%	0.39	C	S	.	.	G	3₁₀ helix	trans	-76.6	14.8	-170.5	33.4	-38.2	0	0	0	114.6	V324 M358 K359	V324-P356 WeakPolarHBondContact O-CG 3.06Å; P356-M358 VanDerWaalsContact C-N 3.25Å; P356-M358 PolarHBondContact O-N 2.81Å; P356-M358 VanDerWaalsContact O-N 3.1Å; P356-K359 HydrophobicContact CB-CD 4.02Å; P356-K359 HydrophobicContact CB-CG 4.42Å; P356-K359 VanDerWaalsContact O-CB 3.29Å; P356-K359 WeakPolarHBondContact O-CB 3.43Å; P356-K359 PolarHBondContact O-N 3.28Å
357	T	94.8	Very high	93.5	Very high	0 Å²	0	68.4 Å²	68.4	0%	0	36%	0.362	C	S	.	.	G	3₁₀ helix	trans	-47.9	-46	-174.5	-55.6	0	0	0	0	112.9	E326 I327 P338 I339 I355 K359 H360 A361	E326-T357 HydrophobicContact CB-CG2 4.01Å; E326-T357 HydrophobicContact CG-CG2 4.14Å; I327-T357 PolarHBondContact N-OG1 2.88Å; I327-T357 WeakPolarHBondContact O-CG2 3.15Å; I327-T357 PolarHBondContact O-OG1 3.34Å; P338-T357 HydrophobicContact CB-CG2 3.84Å; I339-T357 WeakPolarHBondContact O-CB 3.24Å; I339-T357 PolarHBondContact O-OG1 3Å; I355-T357 WeakPolarHBondContact CG2-OG1 3.27Å; I355-T357 PolarHBondContact O-N 3.3Å; T357-K359 PolarHBondContact O-N 2.85Å; T357-H360 CarbonylContact O-C 3.53Å; T357-H360 PolarHBondContact O-N 3.07Å; T357-A361 WeakPolarHBondContact O-CA 3.5Å; T357-A361 WeakPolarHBondContact O-CB 3.46Å; T357-A361 PolarHBondContact O-N 3.49Å
358	M	92.9	Very high	93.6	Very high	86 Å²	86	66.7 Å²	66.7	42%	0.424	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-74.6	-9.9	-176.1	-59	-51.2	-63.8	0	0	114.1	P203 P338 N340 P356	P203-M358 HydrophobicContact CB-CG 3.85Å; P203-M358 HydrophobicContact CB-SD 3.86Å; P203-M358 HydrophobicContact CG-CG 3.87Å; P203-M358 HydrophobicContact CG-SD 4.14Å; P338-M358 HydrophobicContact CB-SD 3.68Å; P338-M358 HydrophobicContact CG-SD 4.21Å; N340-M358 HydrophobicContact CB-CG 4.45Å; P356-M358 VanDerWaalsContact C-N 3.25Å; P356-M358 PolarHBondContact O-N 2.81Å; P356-M358 VanDerWaalsContact O-N 3.1Å
359	K	89.9	Confident	93.7	Very high	165 Å²	165	63.9 Å²	63.9	72%	0.717	32%	0.318	S	S	*	.	G	3₁₀ helix	trans	-74.7	-31.8	173.5	-61.6	-176	179.8	178.6	0	111.9	P356 T357	P356-K359 HydrophobicContact CB-CD 4.02Å; P356-K359 HydrophobicContact CB-CG 4.42Å; P356-K359 VanDerWaalsContact O-CB 3.29Å; P356-K359 WeakPolarHBondContact O-CB 3.43Å; P356-K359 PolarHBondContact O-N 3.28Å; T357-K359 PolarHBondContact O-N 2.85Å
360	H	78.7	Confident	93.6	Very high	118 Å²	118	60.5 Å²	60.5	55%	0.546	30%	0.299	S	S	.	.	S	Bend	trans	-140.7	39.2	-170.6	-57	-63.4	0	0	0	111.9	I325 E326 T357 E362	I325-H360 HydrophobicContact CG2-CB 3.95Å; E326-H360 VanDerWaalsContact CD-O 3.23Å; E326-H360 WeakPolarHBondContact CG-O 3.39Å; T357-H360 CarbonylContact O-C 3.53Å; T357-H360 PolarHBondContact O-N 3.07Å; H360-E362 PolarHBondContact O-N 2.8Å
361	A	86.9	Confident	93.5	Very high	26 Å²	26	57.8 Å²	57.8	22%	0.215	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	38.1	-173.1	0	0	0	0	0	115.2	E326 T357 S364 Q365	E326-A361 WeakPolarHBondContact OE2-CA 3.15Å; T357-A361 WeakPolarHBondContact O-CA 3.5Å; T357-A361 WeakPolarHBondContact O-CB 3.46Å; T357-A361 PolarHBondContact O-N 3.49Å; A361-S364 PolarHBondContact O-OG 3.38Å; A361-Q365 WeakPolarHBondContact O-CB 3.4Å; A361-Q365 PolarHBondContact O-N 3Å
362	E	93	Very high	93.3	Very high	147 Å²	147	56.5 Å²	56.5	69%	0.687	27%	0.273	S	S	*	.	H	α-helix	trans	-73.1	-47.1	-172.8	-170	-176.3	165	0	0	111.1	E326 H360 R366	E326-E362 PolarHBondContact OE1-N 2.91Å; E326-E362 VanDerWaalsContact OE1-N 3.14Å; H360-E362 PolarHBondContact O-N 2.8Å; E362-R366 WeakPolarHBondContact O-CB 3.34Å; E362-R366 PolarHBondContact O-N 3.07Å
363	L	96.2	Very high	93.1	Very high	7 Å²	7	56.4 Å²	56.4	4%	0.037	27%	0.27	C	S	.	.	H	α-helix	trans	-72.3	-44.8	-176.9	-177.1	58.3	0	0	0	111.6	Y268 L278 W303 I305 E326 F328 Q365 R366 C367	Y268-L363 HydrophobicContact CD1-CB 4.17Å; Y268-L363 HydrophobicContact CD1-CD2 3.87Å; Y268-L363 HydrophobicContact CD2-CD2 3.67Å; Y268-L363 HydrophobicContact CE1-CB 4.42Å; Y268-L363 HydrophobicContact CE1-CD2 4.27Å; Y268-L363 HydrophobicContact CE2-CD2 4.1Å; Y268-L363 HydrophobicContact CG-CD2 3.56Å; L278-L363 HydrophobicContact CD1-CD2 3.95Å; L278-L363 HydrophobicContact CD2-CD2 4.44Å; W303-L363 HydrophobicContact CE3-CD1 4.23Å; W303-L363 HydrophobicContact CZ3-CD1 4.08Å; I305-L363 HydrophobicContact CD1-CD1 3.49Å; I305-L363 VanDerWaalsContact CD1-CD1 3.49Å; I305-L363 HydrophobicContact CD1-CD2 4.31Å; E326-L363 VanDerWaalsContact OE1-CB 3.3Å; E326-L363 WeakPolarHBondContact OE1-CB 3.44Å; E326-L363 PolarHBondContact OE1-N 3.49Å; F328-L363 HydrophobicContact CE1-CD2 4.48Å; L363-Q365 VanDerWaalsContact C-N 3.35Å; L363-Q365 PolarHBondContact O-N 2.91Å; L363-R366 PolarHBondContact O-N 3.16Å; L363-C367 WeakPolarHBondContact O-CB 3.3Å; L363-C367 PolarHBondContact O-N 3.21Å; L363-C367 PolarHBondContact O-SG 2.8Å
364	S	95.1	Very high	92.9	Very high	0 Å²	0	57 Å²	57	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-60	-44.2	176.4	52.1	0	0	0	0	111.6	E326 A361 F368	E326-S364 WeakPolarHBondContact OE2-CB 3.31Å; E326-S364 PolarHBondContact OE2-N 3.34Å; E326-S364 PolarHBondContact OE2-OG 2.99Å; A361-S364 PolarHBondContact O-OG 3.38Å; S364-F368 WeakPolarHBondContact O-CB 3.33Å; S364-F368 PolarHBondContact O-N 3.5Å
365	Q	93.9	Very high	92.8	Very high	66 Å²	66	52 Å²	52	31%	0.308	25%	0.251	S	S	.	.	H	α-helix	trans	-67.1	-40.6	175.6	-168	68.5	39.1	0	0	112.1	S199 A361 L363 F368 K369	S199-Q365 PolarHBondContact O-NE2 2.96Å; A361-Q365 WeakPolarHBondContact O-CB 3.4Å; A361-Q365 PolarHBondContact O-N 3Å; L363-Q365 VanDerWaalsContact C-N 3.35Å; L363-Q365 PolarHBondContact O-N 2.91Å; Q365-F368 PolarHBondContact O-N 2.77Å; Q365-K369 VanDerWaalsContact O-CB 3.31Å; Q365-K369 WeakPolarHBondContact O-CB 3.12Å; Q365-K369 PolarHBondContact O-N 2.93Å
366	R	95.6	Very high	92.6	Very high	114 Å²	114	52.6 Å²	52.6	43%	0.43	26%	0.255	S	S	.	.	H	α-helix	trans	-63.1	-44.5	176.6	-173.5	-177.1	175.4	162.6	-1.5	111.5	W303 E362 L363 K369 A370	W303-R366 VanDerWaalsContact CD2-NE 3.3Å; W303-R366 HydrophobicContact CE3-CG 4.3Å; W303-R366 HydrophobicContact CH2-CB 4.43Å; W303-R366 HydrophobicContact CH2-CG 3.63Å; W303-R366 HydrophobicContact CZ2-CG 4.08Å; W303-R366 HydrophobicContact CZ3-CB 4.37Å; W303-R366 HydrophobicContact CZ3-CG 3.75Å; E362-R366 WeakPolarHBondContact O-CB 3.34Å; E362-R366 PolarHBondContact O-N 3.07Å; L363-R366 PolarHBondContact O-N 3.16Å; R366-K369 PolarHBondContact O-N 3.03Å; R366-A370 VanDerWaalsContact O-CB 3.29Å; R366-A370 WeakPolarHBondContact O-CB 3.23Å; R366-A370 PolarHBondContact O-N 2.89Å
367	C	96.2	Very high	92	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-59.5	-49.8	173.1	-75.5	0	0	0	0	111.4	I296 V336 L363 K369 A370 I371	I296-C367 HydrophobicContact CG1-CB 4.38Å; V336-C367 HydrophobicContact CG2-CB 3.96Å; L363-C367 WeakPolarHBondContact O-CB 3.3Å; L363-C367 PolarHBondContact O-N 3.21Å; L363-C367 PolarHBondContact O-SG 2.8Å; C367-K369 PolarHBondContact O-N 3.43Å; C367-A370 PolarHBondContact O-N 3.33Å; C367-I371 WeakPolarHBondContact O-CB 3.38Å; C367-I371 VanDerWaalsContact O-CG1 3.26Å; C367-I371 WeakPolarHBondContact O-CG1 3.38Å; C367-I371 PolarHBondContact O-N 3.18Å
368	F	93.9	Very high	90.5	Very high	21 Å²	21	55.6 Å²	55.6	9%	0.092	28%	0.276	C	S	.	.	H	α-helix	trans	-57.2	-50.9	178.6	-179.4	-97	0	0	0	111.1	W194 L201 I335 V336 S364 Q365 I371 T372	W194-F368 AromaticContact NE1-CE2 3.97Å; L201-F368 HydrophobicContact CD1-CB 4.19Å; L201-F368 HydrophobicContact CD2-CB 4.33Å; L201-F368 HydrophobicContact CD2-CD1 4.28Å; L201-F368 HydrophobicContact CD2-CD2 3.65Å; L201-F368 HydrophobicContact CD2-CE2 3.95Å; L201-F368 HydrophobicContact CD2-CG 3.82Å; L201-F368 HydrophobicContact CD2-CZ 4.4Å; I335-F368 HydrophobicContact CB-CD2 3.94Å; I335-F368 HydrophobicContact CB-CE2 4.17Å; I335-F368 HydrophobicContact CD1-CD2 4.41Å; I335-F368 HydrophobicContact CD1-CE2 4.07Å; I335-F368 HydrophobicContact CG2-CD2 4.11Å; V336-F368 HydrophobicContact CB-CB 4.33Å; V336-F368 HydrophobicContact CG2-CB 4.46Å; S364-F368 WeakPolarHBondContact O-CB 3.33Å; S364-F368 PolarHBondContact O-N 3.5Å; Q365-F368 PolarHBondContact O-N 2.77Å; F368-I371 PolarHBondContact O-N 3.14Å; F368-T372 HydrophobicContact CE1-CG2 4.23Å; F368-T372 HydrophobicContact CE2-CG2 4.49Å; F368-T372 HydrophobicContact CZ-CG2 4.07Å; F368-T372 PolarHBondContact O-N 2.68Å; F368-T372 PolarHBondContact O-OG1 3.08Å
369	K	92.5	Very high	88.5	Confident	111 Å²	111	55.6 Å²	55.6	48%	0.483	28%	0.281	S	S	.	.	H	α-helix	trans	-61.1	-50	179.9	175.9	163.8	172.8	42	0	112.2	Q365 R366 C367 I371 T372 D373	Q365-K369 VanDerWaalsContact O-CB 3.31Å; Q365-K369 WeakPolarHBondContact O-CB 3.12Å; Q365-K369 PolarHBondContact O-N 2.93Å; R366-K369 PolarHBondContact O-N 3.03Å; C367-K369 PolarHBondContact O-N 3.43Å; K369-I371 VanDerWaalsContact C-N 3.29Å; K369-I371 PolarHBondContact O-N 3.05Å; K369-T372 WeakPolarHBondContact CA-OG1 3.32Å; K369-T372 PolarHBondContact O-N 3.44Å; K369-T372 PolarHBondContact O-OG1 3.03Å; K369-D373 WeakPolarHBondContact CG-OD2 3.36Å; K369-D373 IonicContact NZ-OD1 2.77Å; K369-D373 PolarHBondContact NZ-OD1 3.45Å; K369-D373 IonicContact NZ-OD2 3.9Å; K369-D373 PolarHBondContact NZ-OD2 2.87Å; K369-D373 VanDerWaalsContact O-CB 3.3Å; K369-D373 WeakPolarHBondContact O-CB 3.28Å; K369-D373 PolarHBondContact O-N 2.87Å
370	A	94.7	Very high	86.3	Confident	19 Å²	19	53.9 Å²	53.9	16%	0.157	28%	0.284	C	S	.	.	H	α-helix	trans	-59.3	-42.4	-179.2	0	0	0	0	0	111.7	L299 W303 R366 C367 I374	L299-A370 HydrophobicContact CD1-CB 4.03Å; W303-A370 HydrophobicContact CH2-CB 3.84Å; W303-A370 HydrophobicContact CZ2-CB 3.68Å; R366-A370 VanDerWaalsContact O-CB 3.29Å; R366-A370 WeakPolarHBondContact O-CB 3.23Å; R366-A370 PolarHBondContact O-N 2.89Å; C367-A370 PolarHBondContact O-N 3.33Å; A370-I374 WeakPolarHBondContact O-CD1 3.16Å; A370-I374 VanDerWaalsContact O-CG1 3.23Å; A370-I374 WeakPolarHBondContact O-CG1 3.5Å; A370-I374 PolarHBondContact O-N 3.4Å
371	I	94.8	Very high	84.3	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-69.3	-44.1	179.2	-65.3	172.3	0	0	0	111.3	F111 T292 T295 I296 L299 I335 C367 F368 K369 I374 Q375	F111-I371 HydrophobicContact CE1-CG2 4.48Å; F111-I371 HydrophobicContact CZ-CG2 4.17Å; T292-I371 HydrophobicContact CG2-CD1 4.04Å; T295-I371 HydrophobicContact CG2-CD1 4.02Å; T295-I371 HydrophobicContact CG2-CG1 3.91Å; I296-I371 HydrophobicContact CG1-CD1 3.89Å; L299-I371 HydrophobicContact CD1-CD1 4.38Å; L299-I371 HydrophobicContact CD1-CG1 3.81Å; I335-I371 HydrophobicContact CD1-CG2 4.34Å; I335-I371 HydrophobicContact CG2-CB 3.89Å; I335-I371 HydrophobicContact CG2-CD1 3.8Å; I335-I371 HydrophobicContact CG2-CG1 4.44Å; I335-I371 HydrophobicContact CG2-CG2 3.73Å; C367-I371 WeakPolarHBondContact O-CB 3.38Å; C367-I371 VanDerWaalsContact O-CG1 3.26Å; C367-I371 WeakPolarHBondContact O-CG1 3.38Å; C367-I371 PolarHBondContact O-N 3.18Å; F368-I371 PolarHBondContact O-N 3.14Å; K369-I371 VanDerWaalsContact C-N 3.29Å; K369-I371 PolarHBondContact O-N 3.05Å; I371-I374 PolarHBondContact O-N 2.89Å; I371-Q375 HydrophobicContact CG2-CG 4.41Å; I371-Q375 VanDerWaalsContact CG2-NE2 3.35Å; I371-Q375 WeakPolarHBondContact O-CB 3.39Å; I371-Q375 WeakPolarHBondContact O-CG 3.43Å; I371-Q375 PolarHBondContact O-N 2.88Å
372	T	92.1	Very high	84.2	Confident	36 Å²	36	59.3 Å²	59.3	22%	0.221	31%	0.312	C	S	.	.	H	α-helix	trans	-64	-44.2	176.9	27.1	0	0	0	0	111.2	I335 F368 K369 I374 Q375 V376	I335-T372 HydrophobicContact CD1-CG2 3.76Å; F368-T372 HydrophobicContact CE1-CG2 4.23Å; F368-T372 HydrophobicContact CE2-CG2 4.49Å; F368-T372 HydrophobicContact CZ-CG2 4.07Å; F368-T372 PolarHBondContact O-N 2.68Å; F368-T372 PolarHBondContact O-OG1 3.08Å; K369-T372 WeakPolarHBondContact CA-OG1 3.32Å; K369-T372 PolarHBondContact O-N 3.44Å; K369-T372 PolarHBondContact O-OG1 3.03Å; T372-I374 VanDerWaalsContact C-N 3.31Å; T372-I374 PolarHBondContact O-N 3.1Å; T372-Q375 WeakPolarHBondContact O-CB 3.25Å; T372-Q375 PolarHBondContact O-N 3.11Å; T372-V376 WeakPolarHBondContact O-CG2 3.44Å; T372-V376 PolarHBondContact O-N 2.73Å
373	D	92.2	Very high	83.7	Confident	69 Å²	69	54.6 Å²	54.6	37%	0.369	29%	0.292	S	S	.	.	H	α-helix	trans	-55.3	-46.9	174.9	-70.2	-13.9	0	0	0	110.5	K369 Q375 V376 S377	K369-D373 WeakPolarHBondContact CG-OD2 3.36Å; K369-D373 IonicContact NZ-OD1 2.77Å; K369-D373 PolarHBondContact NZ-OD1 3.45Å; K369-D373 IonicContact NZ-OD2 3.9Å; K369-D373 PolarHBondContact NZ-OD2 2.87Å; K369-D373 VanDerWaalsContact O-CB 3.3Å; K369-D373 WeakPolarHBondContact O-CB 3.28Å; K369-D373 PolarHBondContact O-N 2.87Å; D373-Q375 VanDerWaalsContact C-N 3.3Å; D373-Q375 PolarHBondContact O-N 3.27Å; D373-V376 PolarHBondContact O-N 3.1Å; D373-S377 WeakPolarHBondContact O-CA 3.41Å; D373-S377 WeakPolarHBondContact O-CB 3.43Å; D373-S377 PolarHBondContact O-N 3.16Å; D373-S377 PolarHBondContact O-OG 2.93Å
374	I	93.5	Very high	83	Confident	59 Å²	59	57.3 Å²	57.3	30%	0.303	31%	0.307	S	S	.	.	H	α-helix	trans	-61.8	-38.8	176.2	-67.5	162	0	0	0	111.8	F111 A370 I371 T372 L381	F111-I374 HydrophobicContact CD2-CG2 4.27Å; F111-I374 HydrophobicContact CE2-CB 4.48Å; F111-I374 HydrophobicContact CE2-CG2 3.85Å; A370-I374 WeakPolarHBondContact O-CD1 3.16Å; A370-I374 VanDerWaalsContact O-CG1 3.23Å; A370-I374 WeakPolarHBondContact O-CG1 3.5Å; A370-I374 PolarHBondContact O-N 3.4Å; I371-I374 PolarHBondContact O-N 2.89Å; T372-I374 VanDerWaalsContact C-N 3.31Å; T372-I374 PolarHBondContact O-N 3.1Å; I374-L381 HydrophobicContact CG1-CD1 4.06Å
375	Q	93.4	Very high	82.3	Confident	13 Å²	13	60.6 Å²	60.6	6%	0.061	33%	0.325	C	S	.	.	H	α-helix	trans	-67.4	-35.4	-178.5	-74.1	167.8	-9.6	0	0	112.9	F101 F111 I371 T372 D373	F101-Q375 WeakPolarHBondContact CB-O 2.94Å; F101-Q375 HydrophobicContact CD1-CB 3.99Å; F101-Q375 HydrophobicContact CD2-CB 3.93Å; F101-Q375 HydrophobicContact CD2-CG 4.03Å; F101-Q375 HydrophobicContact CE1-CB 4.1Å; F101-Q375 HydrophobicContact CE1-CG 4.21Å; F101-Q375 HydrophobicContact CE2-CB 4.06Å; F101-Q375 HydrophobicContact CE2-CG 3.68Å; F101-Q375 HydrophobicContact CG-CB 3.89Å; F101-Q375 HydrophobicContact CG-CG 4.44Å; F101-Q375 HydrophobicContact CZ-CB 4.13Å; F101-Q375 HydrophobicContact CZ-CG 3.77Å; F111-Q375 HydrophobicContact CB-CG 4.12Å; F111-Q375 HydrophobicContact CD2-CG 3.63Å; F111-Q375 HydrophobicContact CE2-CG 4.27Å; F111-Q375 HydrophobicContact CG-CG 3.93Å; I371-Q375 HydrophobicContact CG2-CG 4.41Å; I371-Q375 VanDerWaalsContact CG2-NE2 3.35Å; I371-Q375 WeakPolarHBondContact O-CB 3.39Å; I371-Q375 WeakPolarHBondContact O-CG 3.43Å; I371-Q375 PolarHBondContact O-N 2.88Å; T372-Q375 WeakPolarHBondContact O-CB 3.25Å; T372-Q375 PolarHBondContact O-N 3.11Å; D373-Q375 VanDerWaalsContact C-N 3.3Å; D373-Q375 PolarHBondContact O-N 3.27Å
376	V	90.3	Very high	81.6	Confident	22 Å²	22	60.3 Å²	60.3	13%	0.133	33%	0.326	C	S	.	.	H	α-helix	trans	-115.9	-3.6	-174.7	-56.3	0	0	0	0	115.4	F101 G103 I104 T372 D373	F101-V376 HydrophobicContact CB-CG1 4.37Å; G103-V376 CarbonylContact C-O 3.44Å; G103-V376 WeakPolarHBondContact CA-O 2.99Å; I104-V376 PolarHBondContact N-O 2.79Å; T372-V376 WeakPolarHBondContact O-CG2 3.44Å; T372-V376 PolarHBondContact O-N 2.73Å; D373-V376 PolarHBondContact O-N 3.1Å
377	S	82	Confident	80.7	Confident	22 Å²	22	56.7 Å²	56.7	15%	0.154	32%	0.319	C	S	.	.			trans	-69.4	159.8	-175.5	76.3	0	0	0	0	113	R109 D373 T379	R109-S377 PolarHBondContact NE-O 2.82Å; R109-S377 VanDerWaalsContact NE-O 3.1Å; R109-S377 PolarHBondContact NH2-O 3.24Å; D373-S377 WeakPolarHBondContact O-CA 3.41Å; D373-S377 WeakPolarHBondContact O-CB 3.43Å; D373-S377 PolarHBondContact O-N 3.16Å; D373-S377 PolarHBondContact O-OG 2.93Å; S377-T379 PolarHBondContact O-N 3.03Å; S377-T379 PolarHBondContact OG-N 2.91Å; S377-T379 PolarHBondContact OG-O 2.91Å; S377-T379 VanDerWaalsContact OG-O 3.05Å
378	S	63.4	Low	79.5	Confident	67 Å²	67	60.8 Å²	60.8	47%	0.469	34%	0.342	S	S	.	.	S	Bend	trans	-71.2	-16.5	168.5	52.9	0	0	0	0	113.4
379	T	50.6	Low	78.4	Confident	86 Å²	86	63.8 Å²	63.8	53%	0.528	36%	0.361	S	S	.	.	S	Bend	trans	-99.8	116.7	-168.6	-33.8	0	0	0	0	109.6	S377 L381	S377-T379 PolarHBondContact O-N 3.03Å; S377-T379 PolarHBondContact OG-N 2.91Å; S377-T379 PolarHBondContact OG-O 2.91Å; S377-T379 VanDerWaalsContact OG-O 3.05Å; T379-L381 PolarHBondContact O-N 2.87Å; T379-L381 VanDerWaalsContact O-N 3.15Å
380	V	42.9	Very low	77.3	Confident	129 Å²	129	59.9 Å²	59.9	78%	0.782	35%	0.351	S	S	*	.			trans	-72.8	104.9	169.8	-174.5	0	0	0	0	106.4
381	L	37.5	Very low	75.7	Confident	197 Å²	197	63.6 Å²	63.6	100%	1.031	37%	0.368	S	S	*	.			trans	-81.2	0	169.2	-77.6	168.5	0	0	0	110.4	I374 T379	I374-L381 HydrophobicContact CG1-CD1 4.06Å; T379-L381 PolarHBondContact O-N 2.87Å; T379-L381 VanDerWaalsContact O-N 3.15Å

Retrieved 381 of 381 residues in 1178.4 ms (Link to these results)

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