A0A096N1Q4_PAPAN Loading...

Adenylosuccinate synthetase isozyme 2

Plays an important role in the de novo pathway and in the salvage pathway of purine nucleotide biosynthesis. Catalyzes the first commited step in the biosynthesis of AMP from IMP. Plays an important role in the de novo pathway and in the salvage pathway of purine nucleotide biosynthesis. Catalyzes the first committed step in the biosynthesis of AMP from IMP. Plays an important role in the de novo pathway of purine nucleotide biosynthesis.

AlphaFold DB (A0A2K6CLW6), UniProt , Accession A0A096N1Q4, Species PAPAN (Papio anubis, Olive baboon), Gene ADSS, Length 456 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.4	Very low	39.3	Very low	245 Å²	245	143.5 Å²	143.5	100%	1.207	86%	0.859	S	S	*	*				0	118.7	0	-133.5	170.8	172.1	0	0	107.1
2	A	39.8	Very low	39.6	Very low	105 Å²	105	141.2 Å²	141.2	87%	0.868	86%	0.855	S	S	*	*			trans	52.5	96.2	171.2	0	0	0	0	0	119.5
3	L	38.5	Very low	39.8	Very low	179 Å²	179	141.8 Å²	141.8	94%	0.937	85%	0.849	S	S	*	*			trans	-80.2	123	155.7	-86.5	156.8	0	0	0	108.7	K5	L3-K5 PolarHBondContact O-N 2.9Å
4	A	37.2	Very low	40.4	Very low	100 Å²	100	140.1 Å²	140.1	83%	0.826	84%	0.843	S	S	*	*			trans	-61.7	123.4	-177.2	0	0	0	0	0	111.9
5	K	40.2	Very low	41.2	Very low	181 Å²	181	141.2 Å²	141.2	79%	0.787	84%	0.843	S	S	*	*			trans	-87.2	110.4	164	-77.4	-177.8	176.9	179.6	0	108.3	L3 Y7	L3-K5 PolarHBondContact O-N 2.9Å; K5-Y7 PolarHBondContact O-N 2.81Å
6	T	39.8	Very low	41.6	Very low	138 Å²	138	136.3 Å²	136.3	85%	0.847	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-66.2	116.4	164.6	42.5	0	0	0	0	109.3
7	Y	37.3	Very low	42.2	Very low	205 Å²	205	137.3 Å²	137.3	80%	0.804	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-80.8	134.6	167.2	-76	-92.8	0	0	0	109.1	K5	K5-Y7 PolarHBondContact O-N 2.81Å
8	P	39.6	Very low	42.9	Very low	121 Å²	121	135.2 Å²	135.2	79%	0.786	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-67.8	140.5	174.1	25.5	-27	0	0	0	110	A10	P8-A10 PolarHBondContact O-N 2.64Å
9	A	39.3	Very low	43.4	Very low	99 Å²	99	131.7 Å²	131.7	82%	0.818	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-50	124.8	178.3	0	0	0	0	0	110.9	S11	A9-S11 PolarHBondContact O-N 2.91Å; A9-S11 VanDerWaalsContact O-N 3.09Å
10	A	40.8	Very low	44	Very low	103 Å²	103	136.1 Å²	136.1	85%	0.851	82%	0.816	S	S	*	*			trans	-60.8	114.1	170.5	0	0	0	0	0	108.3	P8 S12	P8-A10 PolarHBondContact O-N 2.64Å; A10-S12 PolarHBondContact O-N 3.2Å
11	S	41.8	Very low	44.4	Very low	103 Å²	103	135.1 Å²	135.1	72%	0.72	81%	0.813	S	S	*	*			trans	-51.1	124	169.9	52.5	0	0	0	0	109.8	A9 L13	A9-S11 PolarHBondContact O-N 2.91Å; A9-S11 VanDerWaalsContact O-N 3.09Å; S11-L13 PolarHBondContact O-N 3.17Å
12	S	42	Very low	45.4	Very low	115 Å²	115	134.7 Å²	134.7	80%	0.804	80%	0.798	S	S	*	*			trans	-54.9	106	166.8	51.4	0	0	0	0	109.4	A10	A10-S12 PolarHBondContact O-N 3.2Å
13	L	42.8	Very low	46.2	Very low	149 Å²	149	134.4 Å²	134.4	78%	0.78	80%	0.795	S	S	*	*			trans	-59.8	128.4	163.5	-73.2	163.9	0	0	0	107.5	S11 N15	S11-L13 PolarHBondContact O-N 3.17Å; L13-N15 PolarHBondContact O-N 2.9Å
14	P	47.3	Very low	46.9	Very low	118 Å²	118	136.6 Å²	136.6	77%	0.766	79%	0.791	S	S	*	*			trans	-68	110.3	168.4	27.6	-28.1	0	0	0	106.4	G16	P14-G16 PolarHBondContact O-N 3Å
15	N	53.4	Low	47.7	Very low	157 Å²	157	137.3 Å²	137.3	84%	0.84	79%	0.788	S	S	*	*			trans	-56	107.8	167.3	-87	-20.1	0	0	0	106.8	L13 D17	L13-N15 PolarHBondContact O-N 2.9Å; N15-D17 PolarHBondContact O-N 3.3Å
16	G	47.6	Very low	49.2	Very low	63 Å²	63	130.8 Å²	130.8	65%	0.649	77%	0.771	S	S	*	*			trans	-56.4	114.3	175.9	0	0	0	0	0	108.7	P14 C18	P14-G16 PolarHBondContact O-N 3Å; G16-C18 PolarHBondContact O-N 3.06Å
17	D	52.3	Low	51.6	Low	153 Å²	153	126.2 Å²	126.2	82%	0.818	75%	0.751	S	S	*	*			trans	-66.7	92.3	164.3	-169.9	16.1	0	0	0	106.3	N15 G19	N15-D17 PolarHBondContact O-N 3.3Å; D17-G19 PolarHBondContact O-N 3.07Å
18	C	53.4	Low	54.5	Low	100 Å²	100	117.6 Å²	117.6	68%	0.676	72%	0.719	S	S	*	*			trans	-61.9	92.6	168.7	-57.8	0	0	0	0	105.4	G16 R20	G16-C18 PolarHBondContact O-N 3.06Å; C18-R20 PolarHBondContact O-N 2.86Å
19	G	52.6	Low	57.3	Low	68 Å²	68	119.1 Å²	119.1	70%	0.701	71%	0.71	S	S	*	*			trans	-60.8	31.8	-173.6	0	0	0	0	0	116.5	D17 P21	D17-G19 PolarHBondContact O-N 3.07Å; G19-P21 WeakPolarHBondContact O-CD 3.48Å
20	R	55.3	Low	60.1	Low	219 Å²	219	114.4 Å²	114.4	83%	0.826	67%	0.671	S	S	*	*	P	Polyproline II helix	trans	-65.3	120.6	162	-67.4	-173.5	-179.8	-171.7	0.4	107.2	C18 R22	C18-R20 PolarHBondContact O-N 2.86Å; R20-R22 PolarHBondContact O-N 2.78Å
21	P	53.8	Low	62.9	Low	116 Å²	116	111.3 Å²	111.3	75%	0.753	64%	0.641	S	S	*	*	P	Polyproline II helix	trans	-53.9	130.3	171.5	-0.7	3.7	0	0	0	108.2	G19 A23	G19-P21 WeakPolarHBondContact O-CD 3.48Å; P21-A23 PolarHBondContact O-N 3.31Å
22	R	57.8	Low	65.6	Low	237 Å²	237	106.4 Å²	106.4	89%	0.894	61%	0.607	S	S	*	*	P	Polyproline II helix	trans	-49.3	129	165	-78.1	-176.5	176.1	-178.8	-1	106.9	R20 R24	R20-R22 PolarHBondContact O-N 2.78Å; R22-R24 PolarHBondContact O-N 3.05Å
23	A	57.9	Low	68.3	Low	99 Å²	99	101 Å²	101	82%	0.818	57%	0.569	S	S	*	*			trans	-50.7	109.9	174.5	0	0	0	0	0	107.4	P21	P21-A23 PolarHBondContact O-N 3.31Å
24	R	52.2	Low	71	Confident	224 Å²	224	94 Å²	94	85%	0.845	53%	0.532	S	S	*	.			trans	-63.4	132.4	176.8	-68.9	-175.7	-177.2	-176.8	1.2	105.9	R22 G26	R22-R24 PolarHBondContact O-N 3.05Å; R24-G26 PolarHBondContact O-N 3.23Å
25	P	54.1	Low	73.4	Confident	116 Å²	116	88.4 Å²	88.4	75%	0.753	50%	0.496	S	S	*	.			trans	-67.7	91.5	170.3	24.2	-22.7	0	0	0	106.5	Q288	P25-Q288 HydrophobicContact CB-CB 4.36Å; P25-Q288 HydrophobicContact CB-CG 4.34Å
26	G	72.6	Confident	75.5	Confident	43 Å²	43	80.9 Å²	80.9	44%	0.443	46%	0.456	S	S	.	.			trans	-121.5	140.6	-176.8	0	0	0	0	0	109.5	R24 H243	R24-G26 PolarHBondContact O-N 3.23Å; G26-H243 PolarHBondContact O-CE1 2.95Å; G26-H243 VanDerWaalsContact O-CE1 3.31Å; G26-H243 PolarHBondContact O-ND1 3.45Å
27	G	90.6	Very high	78	Confident	42 Å²	42	78.1 Å²	78.1	43%	0.433	43%	0.426	S	S	.	.	S	Bend	trans	141.2	170.2	-178.7	0	0	0	0	0	111.5	L242	G27-L242 CarbonylContact C-O 3.55Å; G27-L242 WeakPolarHBondContact CA-O 3.42Å
28	N	97.9	Very high	80.1	Confident	24 Å²	24	71.1 Å²	71.1	13%	0.128	39%	0.388	C	S	.	.			trans	-59	147.4	170.7	-61	-51.2	0	0	0	110.1	A241 L242 P245 P246 K247 N289	N28-A241 PolarHBondContact ND2-O 2.88Å; N28-L242 HydrophobicContact CB-CD2 4.38Å; N28-L242 PolarHBondContact N-O 2.54Å; N28-L242 WeakPolarHBondContact O-CD2 3.31Å; N28-P245 PolarHBondContact ND2-O 2.74Å; N28-P246 VanDerWaalsContact OD1-CA 3.28Å; N28-P246 WeakPolarHBondContact OD1-CA 3.46Å; N28-K247 VanDerWaalsContact CG-N 3.28Å; N28-K247 PolarHBondContact ND2-N 2.86Å; N28-K247 PolarHBondContact OD1-N 2.94Å; N28-K247 PolarHBondContact OD1-O 3.24Å; N28-N289 PolarHBondContact O-ND2 3.18Å
29	R	98.4	Very high	81.9	Confident	154 Å²	154	66.6 Å²	66.6	58%	0.581	36%	0.359	S	S	*	.			trans	-113.1	134.4	171.9	-64.4	178	71.3	171.4	-2	108.5	N289 V290	R29-N289 CarbonylContact C-O 3.6Å; R29-N289 WeakPolarHBondContact CA-O 3.09Å; R29-V290 VanDerWaalsContact CZ-O 3.26Å; R29-V290 PolarHBondContact NE-O 2.9Å; R29-V290 PolarHBondContact NH2-O 3.49Å
30	V	98.5	Very high	83.7	Confident	0 Å²	0	66 Å²	66	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	143.1	-178.8	-51.4	0	0	0	0	110.4	V32 L242 I249 V251 V279 M285 N289 V290 G291	V30-V32 HydrophobicContact CG2-CG2 3.98Å; V30-L242 HydrophobicContact CG1-CD2 3.84Å; V30-I249 CarbonylContact C-O 3.52Å; V30-I249 WeakPolarHBondContact CA-O 3.39Å; V30-I249 HydrophobicContact CB-CB 4.41Å; V30-I249 HydrophobicContact CB-CG2 4.34Å; V30-I249 HydrophobicContact CG1-CB 3.97Å; V30-I249 HydrophobicContact CG1-CG2 3.77Å; V30-V251 HydrophobicContact CB-CG2 4.02Å; V30-V251 HydrophobicContact CG2-CG2 4.02Å; V30-V279 HydrophobicContact CG2-CG1 4.3Å; V30-M285 HydrophobicContact CB-CE 4.39Å; V30-M285 HydrophobicContact CG1-CE 3.82Å; V30-M285 HydrophobicContact CG1-SD 3.84Å; V30-M285 HydrophobicContact CG2-CE 3.61Å; V30-M285 HydrophobicContact CG2-SD 4.01Å; V30-N289 PolarHBondContact N-O 3.14Å; V30-V290 HydrophobicContact CG2-CG2 4.5Å; V30-G291 WeakPolarHBondContact O-CA 3.47Å; V30-G291 PolarHBondContact O-N 2.98Å
31	T	98.8	Very high	85.6	Confident	38 Å²	38	55.6 Å²	55.6	23%	0.233	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	132.7	168.1	-64.4	0	0	0	0	108.5	L50 I249 L250 V251 E292 Y294	T31-L50 HydrophobicContact CG2-CD1 4.24Å; T31-I249 PolarHBondContact N-O 3.17Å; T31-L250 HydrophobicContact CG2-CD1 3.97Å; T31-L250 CarbonylContact O-C 3.53Å; T31-L250 WeakPolarHBondContact O-CA 3.46Å; T31-V251 PolarHBondContact O-N 3.02Å; T31-E292 CarbonylContact C-O 3.5Å; T31-E292 WeakPolarHBondContact CA-O 3.28Å; T31-E292 HydrophobicContact CG2-CB 4.26Å; T31-Y294 HydrophobicContact CG2-CD2 3.8Å; T31-Y294 HydrophobicContact CG2-CE2 3.46Å; T31-Y294 VanDerWaalsContact CG2-CE2 3.46Å
32	V	98.8	Very high	87.3	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	136.7	-176.6	-169.6	0	0	0	0	110	V30 L34 V251 V279 V290 E292 V293 Y294	V30-V32 HydrophobicContact CG2-CG2 3.98Å; V32-L34 HydrophobicContact CG1-CD1 4.22Å; V32-L34 HydrophobicContact CG1-CD2 3.69Å; V32-L34 HydrophobicContact CG1-CG 3.69Å; V32-V251 HydrophobicContact CG1-CB 4.36Å; V32-V251 HydrophobicContact CG2-CB 4.34Å; V32-V279 HydrophobicContact CG1-CG2 3.63Å; V32-V279 HydrophobicContact CG2-CG1 4.22Å; V32-V279 HydrophobicContact CG2-CG2 4.11Å; V32-V290 HydrophobicContact CG2-CG1 4.15Å; V32-E292 PolarHBondContact N-O 2.59Å; V32-V293 HydrophobicContact CB-CG1 4.29Å; V32-V293 HydrophobicContact CB-CG2 4.36Å; V32-V293 HydrophobicContact CG2-CG2 4.4Å; V32-Y294 PolarHBondContact O-N 3.15Å
33	V	98.6	Very high	88.9	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	115.9	171.4	-178.8	0	0	0	0	109.2	K43 V46 V47 L50 L250 V251 G253 Y294 V296	V33-K43 HydrophobicContact CG1-CB 4.36Å; V33-K43 HydrophobicContact CG1-CG 4.4Å; V33-V46 HydrophobicContact CG1-CB 4.23Å; V33-V46 HydrophobicContact CG1-CG1 4.13Å; V33-V46 HydrophobicContact CG2-CG1 4.14Å; V33-V47 HydrophobicContact CB-CG2 4.01Å; V33-V47 HydrophobicContact CG1-CG2 4.01Å; V33-V47 HydrophobicContact CG2-CG2 4.19Å; V33-L50 HydrophobicContact CG2-CD1 3.64Å; V33-L250 HydrophobicContact CG2-CD1 3.93Å; V33-V251 PolarHBondContact N-O 3.34Å; V33-G253 VanDerWaalsContact O-CA 3.27Å; V33-G253 WeakPolarHBondContact O-CA 3.22Å; V33-G253 PolarHBondContact O-N 2.85Å; V33-Y294 HydrophobicContact CG2-CD2 4.47Å; V33-V296 HydrophobicContact CG1-CG2 3.46Å; V33-V296 VanDerWaalsContact CG1-CG2 3.46Å
34	L	98.6	Very high	90.4	Very high	2 Å²	2	37.5 Å²	37.5	1%	0.01	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	150.4	-177.8	-61	-180	0	0	0	111.5	V32 V276 V293 Y294 V296 N353 F355	V32-L34 HydrophobicContact CG1-CD1 4.22Å; V32-L34 HydrophobicContact CG1-CD2 3.69Å; V32-L34 HydrophobicContact CG1-CG 3.69Å; L34-V276 HydrophobicContact CD1-CB 4.07Å; L34-V293 HydrophobicContact CD1-CG1 3.95Å; L34-V293 HydrophobicContact CG-CG1 4.46Å; L34-Y294 PolarHBondContact N-O 3.19Å; L34-V296 PolarHBondContact O-N 3.4Å; L34-N353 HydrophobicContact CD1-CB 4.29Å; L34-N353 WeakPolarHBondContact CD1-OD1 3.31Å; L34-F355 HydrophobicContact CB-CE1 4.2Å; L34-F355 HydrophobicContact CD1-CE1 4.48Å
35	G	98.2	Very high	92.1	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.01	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	129.5	174.8	0	0	0	0	0	108.7	A256 A257	G35-A256 CarbonylContact O-C 3.51Å; G35-A256 WeakPolarHBondContact O-CA 3.37Å; G35-A256 WeakPolarHBondContact O-CB 3.28Å; G35-A257 PolarHBondContact O-N 3.19Å
36	A	98.5	Very high	94	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	14%	0.141	C	C	.	.	S	Bend	trans	-90.7	-6.4	-175	0	0	0	0	0	113.8	V296 V297 L346 A349 F355	A36-V296 WeakPolarHBondContact CB-O 3.42Å; A36-V296 PolarHBondContact N-O 3.2Å; A36-V297 HydrophobicContact CB-CG2 3.69Å; A36-L346 HydrophobicContact CB-CD2 3.67Å; A36-A349 WeakPolarHBondContact O-CB 3.35Å; A36-F355 HydrophobicContact CB-CE2 4.03Å; A36-F355 HydrophobicContact CB-CZ 4.04Å
37	Q	98.4	Very high	95	Very high	5 Å²	5	21.2 Å²	21.2	2%	0.023	12%	0.121	C	C	.	.	S	Bend	trans	-122.9	-132.8	-173.6	-63	165.6	-59.7	0	0	110.4	E41 A256 L258 K298 Y300 T301 L346	Q37-E41 WeakPolarHBondContact CA-OE1 3.25Å; Q37-E41 HydrophobicContact CB-CG 4.11Å; Q37-E41 PolarHBondContact N-OE1 3.46Å; Q37-E41 VanDerWaalsContact OE1-CG 3.32Å; Q37-A256 WeakPolarHBondContact O-CB 3.39Å; Q37-L258 VanDerWaalsContact O-CB 3.26Å; Q37-L258 WeakPolarHBondContact O-CB 3.16Å; Q37-L258 WeakPolarHBondContact O-CG 3.21Å; Q37-L258 PolarHBondContact O-N 3.28Å; Q37-K298 PolarHBondContact NE2-O 3.11Å; Q37-Y300 PolarHBondContact NE2-O 2.99Å; Q37-T301 PolarHBondContact NE2-OG1 3.28Å; Q37-L346 HydrophobicContact CG-CD2 3.9Å
38	W	96.7	Very high	95	Very high	5 Å²	5	20 Å²	20	2%	0.019	11%	0.105	C	C	.	.	S	Bend	trans	-103.6	30.8	177.3	-74.4	-81.4	0	0	0	113.3	L258 L259 T265 T301 R303 F309 L345	W38-L258 HydrophobicContact CD2-CB 3.79Å; W38-L258 HydrophobicContact CD2-CD1 3.6Å; W38-L258 HydrophobicContact CD2-CG 4.35Å; W38-L258 HydrophobicContact CE3-CD1 3.58Å; W38-L258 HydrophobicContact CG-CB 3.84Å; W38-L258 HydrophobicContact CG-CD1 4.39Å; W38-L258 HydrophobicContact CH2-CD1 3.69Å; W38-L258 HydrophobicContact CZ2-CB 4.15Å; W38-L258 HydrophobicContact CZ2-CD1 3.66Å; W38-L258 HydrophobicContact CZ2-CG 4.48Å; W38-L258 HydrophobicContact CZ3-CD1 3.63Å; W38-L258 VanDerWaalsContact NE1-CB 3.33Å; W38-L258 PolarHBondContact NE1-O 3.36Å; W38-L259 HydrophobicContact CB-CG 4.46Å; W38-L259 WeakPolarHBondContact O-CD1 3.27Å; W38-T265 HydrophobicContact CZ2-CG2 3.66Å; W38-T265 PolarHBondContact NE1-OG1 2.9Å; W38-T265 VanDerWaalsContact NE1-OG1 3.16Å; W38-T301 HydrophobicContact CE3-CG2 3.77Å; W38-T301 HydrophobicContact CZ3-CG2 3.67Å; W38-R303 HydrophobicContact CB-CB 4.45Å; W38-R303 HydrophobicContact CB-CG 4.32Å; W38-R303 HydrophobicContact CD2-CG 4.41Å; W38-R303 HydrophobicContact CG-CG 4.15Å; W38-F309 HydrophobicContact CH2-CD1 4.5Å; W38-F309 HydrophobicContact CZ3-CD1 4.15Å; W38-F309 HydrophobicContact CZ3-CE1 4.34Å; W38-L345 HydrophobicContact CH2-CD1 3.26Å; W38-L345 HydrophobicContact CH2-CD2 4.47Å; W38-L345 HydrophobicContact CH2-CG 4.49Å; W38-L345 HydrophobicContact CZ2-CD1 4.24Å; W38-L345 HydrophobicContact CZ3-CD1 3.66Å
39	G	92.5	Very high	94.7	Very high	6 Å²	6	21 Å²	21	6%	0.062	11%	0.11	C	C	.	.	S	Bend	trans	89.5	179.2	-177.4	0	0	0	0	0	111.8	E41	G39-E41 VanDerWaalsContact CA-CD 3.41Å; G39-E41 WeakPolarHBondContact CA-OE1 3.45Å; G39-E41 WeakPolarHBondContact CA-OE2 3.24Å; G39-E41 PolarHBondContact N-OE1 2.76Å; G39-E41 VanDerWaalsContact O-CD 3.31Å; G39-E41 PolarHBondContact O-N 3.36Å
40	D	89.9	Confident	94.5	Very high	55 Å²	55	15.1 Å²	15.1	29%	0.294	9%	0.09	S	C	.	.			trans	59.5	26	177.9	-59.9	-51.6	0	0	0	115.7	G42 K298 R336	D40-G42 PolarHBondContact O-N 3.11Å; D40-K298 PolarHBondContact O-NZ 2.92Å; D40-R336 IonicContact OD1-CZ 3.28Å; D40-R336 IonicContact OD1-NH1 2.65Å; D40-R336 PolarHBondContact OD1-NH1 3.42Å; D40-R336 IonicContact OD1-NH2 3.8Å; D40-R336 PolarHBondContact OD1-NH2 2.82Å; D40-R336 IonicContact OD2-CZ 2.78Å; D40-R336 IonicContact OD2-NE 3.97Å; D40-R336 PolarHBondContact OD2-NE 3.03Å; D40-R336 IonicContact OD2-NH1 3.66Å; D40-R336 IonicContact OD2-NH2 3.76Å; D40-R336 PolarHBondContact OD2-NH2 2.85Å; D40-R336 VanDerWaalsContact OD2-NH2 3.16Å
41	E	94.8	Very high	94.3	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	9%	0.091	C	C	.	.	S	Bend	trans	-82.3	-0.6	178.1	-47.5	91.1	159.1	0	0	112.6	Q37 G39 K43 A256 V296 K298 T361	Q37-E41 WeakPolarHBondContact CA-OE1 3.25Å; Q37-E41 HydrophobicContact CB-CG 4.11Å; Q37-E41 PolarHBondContact N-OE1 3.46Å; Q37-E41 VanDerWaalsContact OE1-CG 3.32Å; G39-E41 VanDerWaalsContact CA-CD 3.41Å; G39-E41 WeakPolarHBondContact CA-OE1 3.45Å; G39-E41 WeakPolarHBondContact CA-OE2 3.24Å; G39-E41 PolarHBondContact N-OE1 2.76Å; G39-E41 VanDerWaalsContact O-CD 3.31Å; G39-E41 PolarHBondContact O-N 3.36Å; E41-K43 IonicContact OE2-NZ 2.69Å; E41-K43 PolarHBondContact OE2-NZ 3.22Å; E41-A256 WeakPolarHBondContact OE1-CB 3.43Å; E41-V296 HydrophobicContact CB-CB 4.28Å; E41-V296 HydrophobicContact CB-CG1 3.8Å; E41-V296 WeakPolarHBondContact O-CG1 3.22Å; E41-K298 HydrophobicContact CB-CB 4.39Å; E41-T361 WeakPolarHBondContact O-CB 3.47Å; E41-T361 VanDerWaalsContact O-CG2 3.3Å; E41-T361 WeakPolarHBondContact O-CG2 3.49Å; E41-T361 PolarHBondContact O-OG1 3.3Å
42	G	90.3	Very high	94	Very high	31 Å²	31	18.1 Å²	18.1	32%	0.32	10%	0.102	S	C	.	.			trans	81.4	28.1	-177.8	0	0	0	0	0	114.3	D40 G44 K45	D40-G42 PolarHBondContact O-N 3.11Å; G42-G44 PolarHBondContact O-N 3.06Å; G42-G44 VanDerWaalsContact O-N 3.16Å; G42-K45 WeakPolarHBondContact O-CB 3.5Å; G42-K45 PolarHBondContact O-N 3.31Å
43	K	91.5	Very high	93.7	Very high	30 Å²	30	22.2 Å²	22.2	13%	0.13	12%	0.124	C	C	.	.	H	α-helix	trans	-48.5	-41	175.5	-70.4	-177.1	-70.4	-71	0	113.6	V33 E41 K45 V46 V47 G253 N255 V296	V33-K43 HydrophobicContact CG1-CB 4.36Å; V33-K43 HydrophobicContact CG1-CG 4.4Å; E41-K43 IonicContact OE2-NZ 2.69Å; E41-K43 PolarHBondContact OE2-NZ 3.22Å; K43-K45 PolarHBondContact O-N 2.99Å; K43-K45 VanDerWaalsContact O-N 3.1Å; K43-V46 PolarHBondContact O-N 3.33Å; K43-V47 WeakPolarHBondContact O-CG2 3.09Å; K43-V47 PolarHBondContact O-N 3.37Å; K43-G253 WeakPolarHBondContact CE-O 2.99Å; K43-N255 WeakPolarHBondContact CE-O 3.28Å; K43-N255 PolarHBondContact NZ-O 2.88Å; K43-V296 HydrophobicContact CB-CG2 4.42Å; K43-V296 HydrophobicContact CG-CB 3.85Å; K43-V296 HydrophobicContact CG-CG1 4.23Å; K43-V296 HydrophobicContact CG-CG2 3.82Å
44	G	88.2	Confident	93.7	Very high	11 Å²	11	22.5 Å²	22.5	11%	0.113	13%	0.126	C	C	.	.	H	α-helix	trans	-53.5	-32.7	-179.9	0	0	0	0	0	113.2	G42 D48	G42-G44 PolarHBondContact O-N 3.06Å; G42-G44 VanDerWaalsContact O-N 3.16Å; G44-D48 WeakPolarHBondContact O-CB 3.22Å; G44-D48 PolarHBondContact O-N 3.47Å
45	K	89.4	Confident	93.7	Very high	37 Å²	37	25.6 Å²	25.6	16%	0.161	14%	0.142	C	C	.	.	H	α-helix	trans	-71	-39	177.3	-172.6	177	174	49.6	0	112.9	G42 K43 L49 G446 K447 S448 R449 S451 M452	G42-K45 WeakPolarHBondContact O-CB 3.5Å; G42-K45 PolarHBondContact O-N 3.31Å; K43-K45 PolarHBondContact O-N 2.99Å; K43-K45 VanDerWaalsContact O-N 3.1Å; K45-L49 PolarHBondContact O-N 3.15Å; K45-G446 WeakPolarHBondContact CE-O 3.48Å; K45-K447 PolarHBondContact NZ-O 2.98Å; K45-S448 VanDerWaalsContact NZ-C 3.29Å; K45-S448 PolarHBondContact NZ-O 3.29Å; K45-R449 PolarHBondContact NZ-O 2.86Å; K45-S451 VanDerWaalsContact CE-O 3.3Å; K45-S451 WeakPolarHBondContact CE-O 3.25Å; K45-M452 HydrophobicContact CB-CE 4.41Å; K45-M452 HydrophobicContact CD-CE 3.5Å; K45-M452 VanDerWaalsContact CD-CE 3.5Å; K45-M452 VanDerWaalsContact CE-CE 3.44Å; K45-M452 HydrophobicContact CG-CE 3.7Å
46	V	92.9	Very high	93.7	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.006	14%	0.142	C	C	.	.	H	α-helix	trans	-71.5	-41.5	176.8	-178.9	0	0	0	0	110	V33 K43 L49 L50 V296 A359 W442 M452	V33-V46 HydrophobicContact CG1-CB 4.23Å; V33-V46 HydrophobicContact CG1-CG1 4.13Å; V33-V46 HydrophobicContact CG2-CG1 4.14Å; K43-V46 PolarHBondContact O-N 3.33Å; V46-L49 PolarHBondContact O-N 2.91Å; V46-L50 HydrophobicContact CG1-CD1 3.97Å; V46-L50 WeakPolarHBondContact O-CG 3.5Å; V46-L50 PolarHBondContact O-N 2.94Å; V46-V296 HydrophobicContact CB-CG2 4.35Å; V46-V296 HydrophobicContact CG2-CG1 4.33Å; V46-V296 HydrophobicContact CG2-CG2 4.04Å; V46-A359 HydrophobicContact CG1-CB 4.45Å; V46-A359 HydrophobicContact CG2-CB 3.57Å; V46-W442 HydrophobicContact CG1-CE3 4.46Å; V46-W442 HydrophobicContact CG1-CZ3 4.44Å; V46-M452 HydrophobicContact CG2-CE 4.32Å
47	V	93.1	Very high	93.7	Very high	4 Å²	4	25.6 Å²	25.6	2%	0.024	14%	0.142	C	C	.	.	H	α-helix	trans	-60.7	-47.4	174	168.5	0	0	0	0	111.1	V33 K43 L49 L50 A51 S84 L250 E252	V33-V47 HydrophobicContact CB-CG2 4.01Å; V33-V47 HydrophobicContact CG1-CG2 4.01Å; V33-V47 HydrophobicContact CG2-CG2 4.19Å; K43-V47 WeakPolarHBondContact O-CG2 3.09Å; K43-V47 PolarHBondContact O-N 3.37Å; V47-L49 VanDerWaalsContact C-N 3.27Å; V47-L49 PolarHBondContact O-N 3.29Å; V47-L50 CarbonylContact O-C 3.46Å; V47-L50 PolarHBondContact O-N 3.01Å; V47-A51 WeakPolarHBondContact O-CB 3.2Å; V47-A51 PolarHBondContact O-N 2.99Å; V47-S84 WeakPolarHBondContact CG1-OG 3.47Å; V47-L250 HydrophobicContact CG1-CD2 4.2Å; V47-E252 HydrophobicContact CB-CG 4.43Å; V47-E252 HydrophobicContact CG1-CG 3.54Å; V47-E252 WeakPolarHBondContact CG1-OE1 3.33Å; V47-E252 HydrophobicContact CG2-CB 4.4Å; V47-E252 HydrophobicContact CG2-CG 3.96Å
48	D	90.2	Very high	93.7	Very high	15 Å²	15	25.3 Å²	25.3	8%	0.08	14%	0.141	C	C	.	.	H	α-helix	trans	-59.5	-36.3	177.4	176.3	62.5	0	0	0	112.8	G44 Q52 V70 R449	G44-D48 WeakPolarHBondContact O-CB 3.22Å; G44-D48 PolarHBondContact O-N 3.47Å; D48-Q52 PolarHBondContact O-NE2 3.42Å; D48-V70 HydrophobicContact CB-CG1 4.47Å; D48-V70 VanDerWaalsContact OD1-CG1 3.31Å; D48-V70 WeakPolarHBondContact OD1-CG1 3.47Å; D48-R449 VanDerWaalsContact CG-NH2 3.29Å; D48-R449 IonicContact OD1-CZ 3.41Å; D48-R449 IonicContact OD1-NE 3.63Å; D48-R449 IonicContact OD1-NH2 2.66Å; D48-R449 PolarHBondContact OD1-NH2 3.45Å; D48-R449 IonicContact OD2-CZ 2.74Å; D48-R449 IonicContact OD2-NE 3.34Å; D48-R449 PolarHBondContact OD2-NE 3.49Å; D48-R449 IonicContact OD2-NH2 3.13Å; D48-R449 PolarHBondContact OD2-NH2 3.32Å; D48-R449 VanDerWaalsContact OD2-NH2 3.14Å
49	L	92.1	Very high	93.8	Very high	47 Å²	47	25.6 Å²	25.6	25%	0.246	14%	0.142	C	C	.	.	H	α-helix	trans	-65.7	-48.9	173.6	-176.1	67	0	0	0	111.6	K45 V46 V47 W442 M452	K45-L49 PolarHBondContact O-N 3.15Å; V46-L49 PolarHBondContact O-N 2.91Å; V47-L49 VanDerWaalsContact C-N 3.27Å; V47-L49 PolarHBondContact O-N 3.29Å; L49-W442 HydrophobicContact CD2-CZ2 4.38Å; L49-W442 VanDerWaalsContact CD2-NE1 3.27Å; L49-M452 HydrophobicContact CD2-CG 4.45Å
50	L	94.4	Very high	94	Very high	30 Å²	30	25.5 Å²	25.5	16%	0.157	14%	0.141	C	C	.	.	H	α-helix	trans	-76.2	-20.4	-176.7	-67.1	170.5	0	0	0	113.6	T31 V33 V46 V47 Q52 D53 L250 Y294 W442	T31-L50 HydrophobicContact CG2-CD1 4.24Å; V33-L50 HydrophobicContact CG2-CD1 3.64Å; V46-L50 HydrophobicContact CG1-CD1 3.97Å; V46-L50 WeakPolarHBondContact O-CG 3.5Å; V46-L50 PolarHBondContact O-N 2.94Å; V47-L50 CarbonylContact O-C 3.46Å; V47-L50 PolarHBondContact O-N 3.01Å; L50-Q52 VanDerWaalsContact C-N 3.28Å; L50-Q52 PolarHBondContact O-N 3.13Å; L50-D53 VanDerWaalsContact O-OD1 3.13Å; L50-L250 HydrophobicContact CB-CD1 4Å; L50-L250 HydrophobicContact CB-CD2 3.79Å; L50-L250 HydrophobicContact CD1-CD1 3.94Å; L50-Y294 HydrophobicContact CD1-CD2 3.82Å; L50-Y294 HydrophobicContact CD1-CE2 3.94Å; L50-Y294 HydrophobicContact CD2-CE2 4.38Å; L50-W442 HydrophobicContact CD1-CH2 4.38Å; L50-W442 HydrophobicContact CD2-CH2 3.97Å; L50-W442 HydrophobicContact CD2-CZ2 4.05Å
51	A	94.1	Very high	94.4	Very high	3 Å²	3	23.5 Å²	23.5	3%	0.025	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-14.4	-179.8	0	0	0	0	0	112.9	V47 D53 V57 N88 L250	V47-A51 WeakPolarHBondContact O-CB 3.2Å; V47-A51 PolarHBondContact O-N 2.99Å; A51-D53 VanDerWaalsContact C-N 3.28Å; A51-D53 PolarHBondContact O-N 3.48Å; A51-V57 HydrophobicContact CB-CG2 4.32Å; A51-N88 PolarHBondContact O-ND2 3.49Å; A51-L250 HydrophobicContact CB-CD2 4.21Å
52	Q	91.9	Very high	94.4	Very high	97 Å²	97	23.5 Å²	23.5	45%	0.453	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-32.9	-179.5	-75.2	170.8	54.7	0	0	112.9	D48 L50 N88	D48-Q52 PolarHBondContact O-NE2 3.42Å; L50-Q52 VanDerWaalsContact C-N 3.28Å; L50-Q52 PolarHBondContact O-N 3.13Å; Q52-N88 PolarHBondContact O-ND2 3.4Å
53	D	93.5	Very high	94.5	Very high	86 Å²	86	22 Å²	22	46%	0.46	11%	0.114	S	C	.	.	S	Bend	trans	-118.6	12.9	-179.7	71.7	-30.3	0	0	0	113.2	L50 A51 K248	L50-D53 VanDerWaalsContact O-OD1 3.13Å; A51-D53 VanDerWaalsContact C-N 3.28Å; A51-D53 PolarHBondContact O-N 3.48Å; D53-K248 WeakPolarHBondContact O-CD 3.3Å; D53-K248 IonicContact OD2-NZ 3.55Å; D53-K248 PolarHBondContact OD2-NZ 3.39Å
54	A	97.8	Very high	94.3	Very high	6 Å²	6	21 Å²	21	5%	0.05	11%	0.11	C	C	.	.			trans	-77.1	148.3	173	0	0	0	0	0	111.6	V57 V91 L250	A54-V57 HydrophobicContact CB-CG2 3.74Å; A54-V91 HydrophobicContact CB-CG2 4.27Å; A54-V91 WeakPolarHBondContact O-CG2 3.41Å; A54-L250 HydrophobicContact CB-CB 4.27Å
55	D	98.6	Very high	93.9	Very high	67 Å²	67	21.7 Å²	21.7	36%	0.358	11%	0.111	S	C	.	.	S	Bend	trans	-93	-37	170.1	-60.8	-68.7	0	0	0	111.1	T92 K247 K248	D55-T92 PolarHBondContact O-N 3.07Å; D55-K247 HydrophobicContact CB-CB 4.33Å; D55-K247 HydrophobicContact CB-CD 4.38Å; D55-K247 HydrophobicContact CB-CG 4.31Å; D55-K247 VanDerWaalsContact OD2-CA 3.24Å; D55-K247 WeakPolarHBondContact OD2-CA 3.14Å; D55-K248 PolarHBondContact N-O 2.6Å; D55-K248 PolarHBondContact OD2-N 2.68Å
56	I	98.8	Very high	93	Very high	1 Å²	1	21.7 Å²	21.7	1%	0.005	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	134.4	-179.3	-55.8	176.1	0	0	0	109	T92 F94 F237 A241 K247 K248 I249 L250	I56-T92 VanDerWaalsContact CA-O 3.26Å; I56-T92 WeakPolarHBondContact CA-O 3.48Å; I56-T92 WeakPolarHBondContact CG2-O 3.34Å; I56-F94 HydrophobicContact CG2-CB 4.21Å; I56-F237 HydrophobicContact CD1-CE1 4.49Å; I56-F237 HydrophobicContact CD1-CZ 4.13Å; I56-F237 HydrophobicContact CG2-CE1 4.49Å; I56-A241 HydrophobicContact CD1-CB 3.52Å; I56-K247 HydrophobicContact CD1-CD 4.2Å; I56-K248 PolarHBondContact N-O 3.16Å; I56-I249 HydrophobicContact CB-CG1 4.29Å; I56-I249 HydrophobicContact CB-CG2 4.25Å; I56-I249 HydrophobicContact CD1-CD1 4.48Å; I56-I249 HydrophobicContact CD1-CG1 4.36Å; I56-I249 HydrophobicContact CG2-CG2 4.39Å; I56-I249 WeakPolarHBondContact O-CA 3.29Å; I56-L250 PolarHBondContact O-N 3.27Å
57	V	98.5	Very high	92.2	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	123.5	175	-174.5	0	0	0	0	110	A51 A54 P83 V91 T92 A93 F94 L250 E252	A51-V57 HydrophobicContact CB-CG2 4.32Å; A54-V57 HydrophobicContact CB-CG2 3.74Å; V57-P83 HydrophobicContact CB-CB 4.4Å; V57-P83 HydrophobicContact CG1-CB 3.9Å; V57-V91 HydrophobicContact CB-CG1 3.83Å; V57-V91 HydrophobicContact CG2-CB 4.47Å; V57-V91 HydrophobicContact CG2-CG1 3.51Å; V57-V91 HydrophobicContact CG2-CG2 4.07Å; V57-T92 PolarHBondContact N-O 2.89Å; V57-A93 CarbonylContact O-C 3.57Å; V57-A93 WeakPolarHBondContact O-CA 3.32Å; V57-F94 PolarHBondContact O-N 2.84Å; V57-L250 CarbonylContact C-O 3.55Å; V57-L250 WeakPolarHBondContact CA-O 3.39Å; V57-L250 HydrophobicContact CG1-CB 4.43Å; V57-L250 HydrophobicContact CG1-CD2 4.21Å; V57-L250 HydrophobicContact CG1-CG 4.41Å; V57-L250 HydrophobicContact CG2-CB 4.17Å; V57-L250 HydrophobicContact CG2-CD2 4.3Å; V57-E252 HydrophobicContact CG1-CG 3.66Å; V57-E252 WeakPolarHBondContact CG1-OE1 3.19Å
58	C	98.5	Very high	91.5	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	145.6	-165.9	-57.2	0	0	0	0	112.1	F94 L250 V251 E252 L283	C58-F94 CarbonylContact C-O 3.58Å; C58-F94 VanDerWaalsContact CA-O 3.23Å; C58-F94 WeakPolarHBondContact CA-O 3.43Å; C58-F94 HydrophobicContact CB-CD1 4.39Å; C58-L250 PolarHBondContact N-O 3.13Å; C58-V251 HydrophobicContact CB-CG1 4.48Å; C58-V251 HydrophobicContact CB-CG2 4.18Å; C58-E252 PolarHBondContact O-N 3.2Å; C58-L283 HydrophobicContact CB-CD1 4.39Å; C58-L283 HydrophobicContact CB-CD2 4.19Å
59	R	98.2	Very high	91.1	Very high	10 Å²	10	27.8 Å²	27.8	4%	0.038	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	126.4	158.6	-81.7	-74.2	-58.4	-81.4	-2.9	108.9	Q61 G63 H80 P83 F94 G96 V99 E252	R59-Q61 PolarHBondContact NH2-O 3.05Å; R59-Q61 VanDerWaalsContact NH2-O 3.16Å; R59-G63 PolarHBondContact NH2-O 3.21Å; R59-H80 PolarHBondContact NH1-O 3.19Å; R59-P83 HydrophobicContact CB-CG 4.31Å; R59-P83 HydrophobicContact CG-CB 4.17Å; R59-P83 HydrophobicContact CG-CG 3.89Å; R59-F94 PolarHBondContact N-O 3.39Å; R59-G96 WeakPolarHBondContact O-CA 3.42Å; R59-G96 PolarHBondContact O-N 3.13Å; R59-V99 HydrophobicContact CB-CG2 4.11Å; R59-V99 WeakPolarHBondContact O-CG2 3.47Å; R59-E252 WeakPolarHBondContact CD-O 3.27Å
60	C	97.8	Very high	90.7	Very high	5 Å²	5	25.8 Å²	25.8	3%	0.034	15%	0.149	C	C	.	.			trans	-100.3	-31.3	-176.2	60.8	0	0	0	0	114	G98 V99 V251 G282 L283	C60-G98 CarbonylContact O-C 3.54Å; C60-G98 WeakPolarHBondContact O-CA 3.27Å; C60-G98 PolarHBondContact O-N 3.28Å; C60-V99 PolarHBondContact O-N 3.09Å; C60-V251 HydrophobicContact CB-CG1 4.06Å; C60-G282 VanDerWaalsContact O-CA 3.26Å; C60-G282 WeakPolarHBondContact O-CA 3.32Å; C60-L283 HydrophobicContact CB-CD1 4.16Å; C60-L283 HydrophobicContact CB-CD2 3.99Å; C60-L283 HydrophobicContact CB-CG 3.7Å
61	Q	97.6	Very high	90	Very high	12 Å²	12	28.1 Å²	28.1	6%	0.056	17%	0.165	C	C	.	.	S	Bend	trans	-144.7	173.8	-171	-65.2	-70.8	-8.5	0	0	111.9	R59 G98 N273 G278 T281	R59-Q61 PolarHBondContact NH2-O 3.05Å; R59-Q61 VanDerWaalsContact NH2-O 3.16Å; Q61-G98 PolarHBondContact OE1-O 3.24Å; Q61-N273 WeakPolarHBondContact CG-O 3.13Å; Q61-G278 WeakPolarHBondContact CG-O 3.33Å; Q61-G278 PolarHBondContact NE2-O 2.88Å; Q61-T281 PolarHBondContact NE2-OG1 2.65Å
62	G	94.3	Very high	89.3	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	17%	0.174	C	C	.	.			trans	77.4	-161.5	176.9	0	0	0	0	0	113.1	V99 V100 Y170	G62-V99 WeakPolarHBondContact O-CA 3.4Å; G62-V99 WeakPolarHBondContact O-CG1 3.45Å; G62-V100 WeakPolarHBondContact O-CG2 3.27Å; G62-V100 PolarHBondContact O-N 2.84Å; G62-Y170 PolarHBondContact N-OH 3Å; G62-Y170 VanDerWaalsContact N-OH 3.13Å; G62-Y170 PolarHBondContact O-OH 3.49Å
63	G	92.6	Very high	88.7	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	19%	0.19	C	C	.	.			trans	-141.7	-141.5	174	0	0	0	0	0	110.9	R59 N65 V100	R59-G63 PolarHBondContact NH2-O 3.21Å; G63-N65 VanDerWaalsContact C-N 3.29Å; G63-N65 PolarHBondContact N-OD1 3.01Å; G63-N65 VanDerWaalsContact N-OD1 3.15Å; G63-N65 PolarHBondContact O-N 2.74Å; G63-V100 WeakPolarHBondContact CA-O 3.43Å
64	N	87.3	Confident	88.2	Confident	10 Å²	10	33.7 Å²	33.7	5%	0.053	21%	0.207	C	C	.	.	S	Bend	trans	-91.8	25.8	178.9	66.9	-12.8	0	0	0	113.5	H80 L81	N64-H80 HydrophobicContact CB-CB 3.95Å; N64-L81 HydrophobicContact CB-CB 4.24Å
65	N	79.9	Confident	87.7	Confident	25 Å²	25	35.4 Å²	35.4	13%	0.134	22%	0.217	C	C	.	.	S	Bend	trans	-89.7	-10.9	-175.6	61.6	-65.6	0	0	0	114.1	G63 T162 I166 N255	G63-N65 VanDerWaalsContact C-N 3.29Å; G63-N65 PolarHBondContact N-OD1 3.01Å; G63-N65 VanDerWaalsContact N-OD1 3.15Å; G63-N65 PolarHBondContact O-N 2.74Å; N65-T162 HydrophobicContact CB-CG2 3.99Å; N65-T162 VanDerWaalsContact CB-OG1 3.28Å; N65-T162 WeakPolarHBondContact CB-OG1 3.44Å; N65-I166 HydrophobicContact CB-CD1 4.26Å; N65-I166 HydrophobicContact CB-CG1 3.79Å; N65-N255 PolarHBondContact ND2-ND2 2.93Å; N65-N255 PolarHBondContact ND2-OD1 2.74Å
66	A	71.7	Confident	87.2	Confident	36 Å²	36	38 Å²	38	30%	0.298	23%	0.227	S	C	.	.	S	Bend	trans	-125.1	139.4	169.8	0	0	0	0	0	107.6	H80	A66-H80 WeakPolarHBondContact O-CA 3.38Å
67	G	75.1	Confident	86.8	Confident	36 Å²	36	38.3 Å²	38.3	37%	0.371	23%	0.228	S	C	.	.			trans	-137.8	160.1	176.7	0	0	0	0	0	111.8	F79	G67-F79 CarbonylContact C-O 3.31Å; G67-F79 WeakPolarHBondContact CA-O 3.29Å
68	H	77.8	Confident	86.4	Confident	53 Å²	53	41 Å²	41	25%	0.245	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	151	176.1	57.6	-80.3	0	0	0	110.8	F79 S84 E252	H68-F79 PolarHBondContact N-O 2.9Å; H68-F79 PolarHBondContact O-N 3.16Å; H68-S84 WeakPolarHBondContact NE2-CB 3.46Å; H68-S84 PolarHBondContact NE2-OG 2.84Å; H68-E252 IonicContact CE1-OE2 3.53Å
69	T	82.4	Confident	86.1	Confident	60 Å²	60	41 Å²	41	37%	0.368	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	132.6	-179.6	-51.7	0	0	0	0	109.4	E76 Y77 D78	T69-E76 HydrophobicContact CG2-CB 3.75Å; T69-E76 HydrophobicContact CG2-CG 4.35Å; T69-Y77 CarbonylContact C-O 3.5Å; T69-Y77 VanDerWaalsContact CA-O 3.27Å; T69-Y77 WeakPolarHBondContact CA-O 3.06Å; T69-D78 WeakPolarHBondContact CB-OD1 3.42Å; T69-D78 WeakPolarHBondContact CG2-OD1 3.49Å; T69-D78 PolarHBondContact OG1-OD1 3.43Å
70	V	83.3	Confident	85.9	Confident	5 Å²	5	43.5 Å²	43.5	3%	0.03	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	133.8	171.2	-178.8	0	0	0	0	108.4	D48 V72 Y77 F79 I87	D48-V70 HydrophobicContact CB-CG1 4.47Å; D48-V70 VanDerWaalsContact OD1-CG1 3.31Å; D48-V70 WeakPolarHBondContact OD1-CG1 3.47Å; V70-V72 HydrophobicContact CG1-CG2 4.15Å; V70-Y77 PolarHBondContact N-O 3.47Å; V70-Y77 PolarHBondContact O-N 3.08Å; V70-F79 HydrophobicContact CB-CD2 4.4Å; V70-F79 HydrophobicContact CB-CE2 4.02Å; V70-F79 HydrophobicContact CG2-CD2 3.98Å; V70-F79 HydrophobicContact CG2-CE2 3.99Å; V70-I87 HydrophobicContact CG1-CG2 4.43Å
71	V	81.3	Confident	85.8	Confident	79 Å²	79	43.2 Å²	43.2	48%	0.479	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	120.4	-180	-170.4	0	0	0	0	109.2	V75 E76	V71-V75 WeakPolarHBondContact CA-O 3.26Å; V71-E76 HydrophobicContact CG2-CG 4.09Å
72	V	78.8	Confident	85.7	Confident	35 Å²	35	42.7 Å²	42.7	21%	0.212	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	126.2	174.8	179.4	0	0	0	0	108.7	V70 S74 V75 Y77 I87	V70-V72 HydrophobicContact CG1-CG2 4.15Å; V72-S74 PolarHBondContact O-N 2.74Å; V72-V75 PolarHBondContact N-O 3.48Å; V72-V75 WeakPolarHBondContact O-CB 3.35Å; V72-V75 PolarHBondContact O-N 3.33Å; V72-Y77 HydrophobicContact CB-CD2 4.47Å; V72-Y77 HydrophobicContact CB-CE2 4.15Å; V72-I87 HydrophobicContact CB-CG1 4.36Å; V72-I87 HydrophobicContact CG2-CD1 4.3Å; V72-I87 HydrophobicContact CG2-CG1 3.52Å
73	D	79.7	Confident	85.8	Confident	151 Å²	151	42.7 Å²	42.7	81%	0.807	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.1	41.5	-177.8	-57	-34.1	0	0	0	113.3	V75	D73-V75 PolarHBondContact O-N 3.07Å
74	S	82.7	Confident	85.8	Confident	117 Å²	117	42.8 Å²	42.8	82%	0.818	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.3	6.7	-175.1	-46.2	0	0	0	0	116	V72	V72-S74 PolarHBondContact O-N 2.74Å
75	V	87.5	Confident	86.1	Confident	41 Å²	41	42.3 Å²	42.3	25%	0.248	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	127.8	174.2	-176.5	0	0	0	0	110.1	V71 V72 D73 Y77 K116	V71-V75 WeakPolarHBondContact CA-O 3.26Å; V72-V75 PolarHBondContact N-O 3.48Å; V72-V75 WeakPolarHBondContact O-CB 3.35Å; V72-V75 PolarHBondContact O-N 3.33Å; D73-V75 PolarHBondContact O-N 3.07Å; V75-Y77 HydrophobicContact CB-CD2 4.46Å; V75-Y77 HydrophobicContact CB-CE2 3.71Å; V75-Y77 HydrophobicContact CG1-CD2 4.22Å; V75-Y77 HydrophobicContact CG1-CE1 4.16Å; V75-Y77 HydrophobicContact CG1-CE2 3.61Å; V75-Y77 WeakPolarHBondContact O-CD2 3.39Å; V75-K116 HydrophobicContact CG1-CB 3.85Å; V75-K116 WeakPolarHBondContact CG1-O 3.17Å
76	E	88.6	Confident	86.9	Confident	122 Å²	122	41.1 Å²	41.1	57%	0.57	24%	0.242	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-91.4	104.1	-179.2	-59.9	-166.8	161.7	0	0	111.7	T69 V71 K116	T69-E76 HydrophobicContact CG2-CB 3.75Å; T69-E76 HydrophobicContact CG2-CG 4.35Å; V71-E76 HydrophobicContact CG2-CG 4.09Å; E76-K116 WeakPolarHBondContact O-CD 3.38Å; E76-K116 WeakPolarHBondContact O-CE 3.49Å; E76-K116 PolarHBondContact O-NZ 3.48Å
77	Y	89.8	Confident	87.8	Confident	8 Å²	8	40.3 Å²	40.3	3%	0.031	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	133.6	175.2	-60.8	-88.6	0	0	0	110.4	T69 V70 V72 V75 I87 N113 K116 G117 G119	T69-Y77 CarbonylContact C-O 3.5Å; T69-Y77 VanDerWaalsContact CA-O 3.27Å; T69-Y77 WeakPolarHBondContact CA-O 3.06Å; V70-Y77 PolarHBondContact N-O 3.47Å; V70-Y77 PolarHBondContact O-N 3.08Å; V72-Y77 HydrophobicContact CB-CD2 4.47Å; V72-Y77 HydrophobicContact CB-CE2 4.15Å; V75-Y77 HydrophobicContact CB-CD2 4.46Å; V75-Y77 HydrophobicContact CB-CE2 3.71Å; V75-Y77 HydrophobicContact CG1-CD2 4.22Å; V75-Y77 HydrophobicContact CG1-CE1 4.16Å; V75-Y77 HydrophobicContact CG1-CE2 3.61Å; V75-Y77 WeakPolarHBondContact O-CD2 3.39Å; Y77-I87 HydrophobicContact CD1-CD1 4.16Å; Y77-I87 HydrophobicContact CD2-CD1 3.59Å; Y77-I87 HydrophobicContact CD2-CG1 4.46Å; Y77-I87 HydrophobicContact CE1-CD1 4.32Å; Y77-I87 HydrophobicContact CE2-CD1 3.78Å; Y77-I87 HydrophobicContact CG-CD1 3.78Å; Y77-N113 WeakPolarHBondContact CA-OD1 3.36Å; Y77-N113 HydrophobicContact CD1-CB 4.01Å; Y77-N113 WeakPolarHBondContact CE1-O 3.32Å; Y77-K116 HydrophobicContact CE1-CB 4.5Å; Y77-G117 WeakPolarHBondContact OH-CA 3.35Å; Y77-G119 WeakPolarHBondContact OH-CA 3.23Å; Y77-G119 PolarHBondContact OH-N 3.44Å
78	D	90.8	Very high	88.7	Confident	56 Å²	56	39.6 Å²	39.6	30%	0.299	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	120	-177.4	-64.9	-45.8	0	0	0	110.1	T69 N113 K116	T69-D78 WeakPolarHBondContact CB-OD1 3.42Å; T69-D78 WeakPolarHBondContact CG2-OD1 3.49Å; T69-D78 PolarHBondContact OG1-OD1 3.43Å; D78-N113 PolarHBondContact N-OD1 3.03Å; D78-N113 PolarHBondContact O-ND2 3.41Å; D78-K116 VanDerWaalsContact CG-NZ 3.29Å; D78-K116 IonicContact OD2-NZ 3.14Å; D78-K116 PolarHBondContact OD2-NZ 3.09Å
79	F	92.2	Very high	89.5	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	139	-179.1	-60.8	-74.2	0	0	0	110.4	G67 H68 V70 L82 I86 I87 E109 L120	G67-F79 CarbonylContact C-O 3.31Å; G67-F79 WeakPolarHBondContact CA-O 3.29Å; H68-F79 PolarHBondContact N-O 2.9Å; H68-F79 PolarHBondContact O-N 3.16Å; V70-F79 HydrophobicContact CB-CD2 4.4Å; V70-F79 HydrophobicContact CB-CE2 4.02Å; V70-F79 HydrophobicContact CG2-CD2 3.98Å; V70-F79 HydrophobicContact CG2-CE2 3.99Å; F79-L82 HydrophobicContact CD1-CB 4Å; F79-I86 HydrophobicContact CD1-CG2 4.33Å; F79-I86 HydrophobicContact CE1-CG2 3.58Å; F79-I86 HydrophobicContact CZ-CG2 4.15Å; F79-I87 HydrophobicContact CZ-CB 4.21Å; F79-I87 HydrophobicContact CZ-CD1 4.34Å; F79-E109 VanDerWaalsContact CA-OE1 3.3Å; F79-E109 WeakPolarHBondContact CA-OE1 3.41Å; F79-L120 HydrophobicContact CE1-CD1 4.24Å; F79-L120 HydrophobicContact CE1-CD2 4.19Å; F79-L120 HydrophobicContact CZ-CD2 4.14Å
80	H	92.1	Very high	90.1	Very high	62 Å²	62	45.2 Å²	45.2	29%	0.287	26%	0.255	S	S	.	.	S	Bend	trans	-129.4	-54.5	176.6	-62.4	77.8	0	0	0	111	R59 N64 A66 E109	R59-H80 PolarHBondContact NH1-O 3.19Å; N64-H80 HydrophobicContact CB-CB 3.95Å; A66-H80 WeakPolarHBondContact O-CA 3.38Å; H80-E109 VanDerWaalsContact N-CD 3.27Å; H80-E109 PolarHBondContact N-OE1 3.45Å; H80-E109 PolarHBondContact N-OE2 3.1Å
81	L	95.6	Very high	90.8	Very high	0 Å²	0	45 Å²	45	0%	0	25%	0.254	C	S	.	.	S	Bend	trans	-105.7	-38.5	178.9	-169.7	64.1	0	0	0	111.9	N64 I95 V99 I101 L106 E109	N64-L81 HydrophobicContact CB-CB 4.24Å; L81-I95 HydrophobicContact CG-CD1 4.22Å; L81-V99 HydrophobicContact CD1-CG1 3.57Å; L81-I101 HydrophobicContact CD2-CB 4.17Å; L81-I101 HydrophobicContact CD2-CG1 4.15Å; L81-I101 HydrophobicContact CD2-CG2 3.78Å; L81-L106 HydrophobicContact CB-CD1 4.49Å; L81-L106 HydrophobicContact CD2-CB 3.99Å; L81-L106 HydrophobicContact CD2-CD1 4Å; L81-L106 HydrophobicContact CD2-CG 4.41Å; L81-L106 HydrophobicContact CG-CD1 4.44Å; L81-E109 WeakPolarHBondContact CB-OE2 3.14Å; L81-E109 PolarHBondContact N-OE1 3.29Å; L81-E109 PolarHBondContact N-OE2 2.81Å
82	L	96.8	Very high	91.6	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	24%	0.243	C	C	.	.	S	Bend	trans	-63.4	135.5	175.1	-67.1	172.6	0	0	0	109.3	F79 S84 I86 L106 E109 A110 L120 W123 L127	F79-L82 HydrophobicContact CD1-CB 4Å; L82-S84 PolarHBondContact O-N 3.24Å; L82-I86 HydrophobicContact CB-CG2 4.48Å; L82-I86 HydrophobicContact CD2-CD1 4.3Å; L82-L106 HydrophobicContact CD2-CD1 3.65Å; L82-L106 HydrophobicContact CG-CD1 3.97Å; L82-E109 WeakPolarHBondContact CB-OE1 3.41Å; L82-E109 HydrophobicContact CD1-CG 4.39Å; L82-E109 PolarHBondContact N-OE1 2.65Å; L82-E109 VanDerWaalsContact N-OE1 3.08Å; L82-A110 HydrophobicContact CD1-CB 4.12Å; L82-L120 HydrophobicContact CD1-CD1 4.07Å; L82-W123 HydrophobicContact CD2-CE3 4.35Å; L82-W123 HydrophobicContact CD2-CZ3 4.41Å; L82-L127 HydrophobicContact CD2-CD1 4.01Å; L82-L127 HydrophobicContact CD2-CD2 3.65Å; L82-L127 HydrophobicContact CD2-CG 4.41Å
83	P	95.9	Very high	92.6	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	23%	0.233	C	C	.	.			trans	-59.7	126.1	166.9	-15.6	27.4	0	0	0	109	V57 R59 G85 I86 A93 E252	V57-P83 HydrophobicContact CB-CB 4.4Å; V57-P83 HydrophobicContact CG1-CB 3.9Å; R59-P83 HydrophobicContact CB-CG 4.31Å; R59-P83 HydrophobicContact CG-CB 4.17Å; R59-P83 HydrophobicContact CG-CG 3.89Å; P83-G85 PolarHBondContact O-N 2.84Å; P83-G85 VanDerWaalsContact O-N 3.15Å; P83-I86 VanDerWaalsContact O-CB 3.32Å; P83-I86 WeakPolarHBondContact O-CB 3.43Å; P83-I86 WeakPolarHBondContact O-CG2 3.43Å; P83-I86 PolarHBondContact O-N 3.1Å; P83-A93 HydrophobicContact CB-CB 4.47Å; P83-A93 HydrophobicContact CG-CB 4.03Å; P83-E252 WeakPolarHBondContact CA-OE2 3.39Å
84	S	93.4	Very high	93.5	Very high	2 Å²	2	34.4 Å²	34.4	1%	0.014	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-61	-26.1	-176.4	46.8	0	0	0	0	114.7	V47 H68 L82 I86 I87 E252	V47-S84 WeakPolarHBondContact CG1-OG 3.47Å; H68-S84 WeakPolarHBondContact NE2-CB 3.46Å; H68-S84 PolarHBondContact NE2-OG 2.84Å; L82-S84 PolarHBondContact O-N 3.24Å; S84-I86 PolarHBondContact O-N 3.48Å; S84-I87 WeakPolarHBondContact O-CB 3.38Å; S84-I87 VanDerWaalsContact O-CG2 3.3Å; S84-I87 WeakPolarHBondContact O-CG2 3.34Å; S84-I87 PolarHBondContact O-N 3.26Å; S84-I87 VanDerWaalsContact O-N 3.07Å; S84-E252 PolarHBondContact N-OE1 2.9Å; S84-E252 PolarHBondContact N-OE2 2.71Å; S84-E252 VanDerWaalsContact OG-CD 3.3Å; S84-E252 PolarHBondContact OG-OE1 3Å; S84-E252 PolarHBondContact OG-OE2 2.85Å
85	G	93.4	Very high	94.2	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.01	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-58.7	-13.5	174	0	0	0	0	0	114.2	P83 I87 N88 E252	P83-G85 PolarHBondContact O-N 2.84Å; P83-G85 VanDerWaalsContact O-N 3.15Å; G85-I87 PolarHBondContact O-N 2.85Å; G85-I87 VanDerWaalsContact O-N 3.08Å; G85-N88 WeakPolarHBondContact O-CB 3.48Å; G85-N88 PolarHBondContact O-N 2.86Å; G85-E252 PolarHBondContact N-OE1 2.8Å
86	I	95.4	Very high	94.8	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	-58.2	-19.3	171.8	-157.4	170.6	0	0	0	112.9	F79 L82 P83 S84 N88 A93 L120 W123 R126 L127	F79-I86 HydrophobicContact CD1-CG2 4.33Å; F79-I86 HydrophobicContact CE1-CG2 3.58Å; F79-I86 HydrophobicContact CZ-CG2 4.15Å; L82-I86 HydrophobicContact CB-CG2 4.48Å; L82-I86 HydrophobicContact CD2-CD1 4.3Å; P83-I86 VanDerWaalsContact O-CB 3.32Å; P83-I86 WeakPolarHBondContact O-CB 3.43Å; P83-I86 WeakPolarHBondContact O-CG2 3.43Å; P83-I86 PolarHBondContact O-N 3.1Å; S84-I86 PolarHBondContact O-N 3.48Å; I86-N88 PolarHBondContact O-N 3.22Å; I86-A93 HydrophobicContact CB-CB 3.91Å; I86-A93 HydrophobicContact CD1-CB 3.75Å; I86-A93 HydrophobicContact CG1-CB 3.82Å; I86-L120 HydrophobicContact CG2-CD1 4.23Å; I86-L120 HydrophobicContact CG2-CD2 3.92Å; I86-W123 HydrophobicContact CD1-CB 3.96Å; I86-R126 VanDerWaalsContact O-CZ 3.31Å; I86-R126 PolarHBondContact O-NH1 3.27Å; I86-R126 PolarHBondContact O-NH2 3.13Å; I86-L127 HydrophobicContact CD1-CB 4.32Å
87	I	92	Very high	95.3	Very high	18 Å²	18	22.3 Å²	22.3	9%	0.092	12%	0.124	C	C	.	.	G	3₁₀ helix	trans	-62.2	-26.1	173.2	-159	60.6	0	0	0	112.6	V70 V72 Y77 F79 S84 G85 P89 L120	V70-I87 HydrophobicContact CG1-CG2 4.43Å; V72-I87 HydrophobicContact CB-CG1 4.36Å; V72-I87 HydrophobicContact CG2-CD1 4.3Å; V72-I87 HydrophobicContact CG2-CG1 3.52Å; Y77-I87 HydrophobicContact CD1-CD1 4.16Å; Y77-I87 HydrophobicContact CD2-CD1 3.59Å; Y77-I87 HydrophobicContact CD2-CG1 4.46Å; Y77-I87 HydrophobicContact CE1-CD1 4.32Å; Y77-I87 HydrophobicContact CE2-CD1 3.78Å; Y77-I87 HydrophobicContact CG-CD1 3.78Å; F79-I87 HydrophobicContact CZ-CB 4.21Å; F79-I87 HydrophobicContact CZ-CD1 4.34Å; S84-I87 WeakPolarHBondContact O-CB 3.38Å; S84-I87 VanDerWaalsContact O-CG2 3.3Å; S84-I87 WeakPolarHBondContact O-CG2 3.34Å; S84-I87 PolarHBondContact O-N 3.26Å; S84-I87 VanDerWaalsContact O-N 3.07Å; G85-I87 PolarHBondContact O-N 2.85Å; G85-I87 VanDerWaalsContact O-N 3.08Å; I87-P89 WeakPolarHBondContact O-CD 3.45Å; I87-L120 HydrophobicContact CD1-CD2 3.83Å
88	N	93.4	Very high	95.7	Very high	22 Å²	22	22 Å²	22	12%	0.118	12%	0.123	C	C	.	.	S	Bend	trans	-76	119.1	170	-178.1	-13.3	0	0	0	108.7	A51 Q52 G85 I86 N90 V91 R126	A51-N88 PolarHBondContact O-ND2 3.49Å; Q52-N88 PolarHBondContact O-ND2 3.4Å; G85-N88 WeakPolarHBondContact O-CB 3.48Å; G85-N88 PolarHBondContact O-N 2.86Å; I86-N88 PolarHBondContact O-N 3.22Å; N88-N90 PolarHBondContact O-N 3.42Å; N88-N90 VanDerWaalsContact O-N 3.13Å; N88-N90 WeakPolarHBondContact OD1-CB 3.45Å; N88-N90 PolarHBondContact OD1-N 3.49Å; N88-V91 HydrophobicContact CB-CB 4.1Å; N88-V91 HydrophobicContact CB-CG2 3.68Å; N88-V91 PolarHBondContact O-N 2.97Å; N88-V91 VanDerWaalsContact O-N 3.13Å; N88-R126 PolarHBondContact O-NH1 3.04Å
89	P	94.1	Very high	96.1	Very high	92 Å²	92	19.3 Å²	19.3	60%	0.597	11%	0.108	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-18.3	-177.2	27	-35.8	0	0	0	113.6	I87 R126	I87-P89 WeakPolarHBondContact O-CD 3.45Å; P89-R126 WeakPolarHBondContact O-CD 3.36Å
90	N	95.8	Very high	96.4	Very high	139 Å²	139	19.4 Å²	19.4	74%	0.743	11%	0.109	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.3	-11.3	179.6	-60.7	-33.6	0	0	0	113.3	N88	N88-N90 PolarHBondContact O-N 3.42Å; N88-N90 VanDerWaalsContact O-N 3.13Å; N88-N90 WeakPolarHBondContact OD1-CB 3.45Å; N88-N90 PolarHBondContact OD1-N 3.49Å
91	V	97.4	Very high	96.7	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	10%	0.095	C	C	.	.	P	Polyproline II helix	trans	-83.9	139.6	-177.9	163	0	0	0	0	111	A54 V57 N88 R126	A54-V91 HydrophobicContact CB-CG2 4.27Å; A54-V91 WeakPolarHBondContact O-CG2 3.41Å; V57-V91 HydrophobicContact CB-CG1 3.83Å; V57-V91 HydrophobicContact CG2-CB 4.47Å; V57-V91 HydrophobicContact CG2-CG1 3.51Å; V57-V91 HydrophobicContact CG2-CG2 4.07Å; N88-V91 HydrophobicContact CB-CB 4.1Å; N88-V91 HydrophobicContact CB-CG2 3.68Å; N88-V91 PolarHBondContact O-N 2.97Å; N88-V91 VanDerWaalsContact O-N 3.13Å; V91-R126 PolarHBondContact O-NH1 3.12Å
92	T	98.7	Very high	96.8	Very high	43 Å²	43	17.1 Å²	17.1	26%	0.264	10%	0.098	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	119.2	159.3	-58.3	0	0	0	0	109.9	D55 I56 V57 R126 I128 F237	D55-T92 PolarHBondContact O-N 3.07Å; I56-T92 VanDerWaalsContact CA-O 3.26Å; I56-T92 WeakPolarHBondContact CA-O 3.48Å; I56-T92 WeakPolarHBondContact CG2-O 3.34Å; V57-T92 PolarHBondContact N-O 2.89Å; T92-R126 CarbonylContact C-O 3.48Å; T92-R126 WeakPolarHBondContact CA-O 3.24Å; T92-I128 HydrophobicContact CG2-CD1 4.31Å; T92-I128 HydrophobicContact CG2-CG1 3.51Å; T92-F237 HydrophobicContact CG2-CZ 4.08Å
93	A	98.6	Very high	96.9	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	137.5	173.6	0	0	0	0	0	110.5	V57 P83 I86 R126 L127 I128	V57-A93 CarbonylContact O-C 3.57Å; V57-A93 WeakPolarHBondContact O-CA 3.32Å; P83-A93 HydrophobicContact CB-CB 4.47Å; P83-A93 HydrophobicContact CG-CB 4.03Å; I86-A93 HydrophobicContact CB-CB 3.91Å; I86-A93 HydrophobicContact CD1-CB 3.75Å; I86-A93 HydrophobicContact CG1-CB 3.82Å; A93-R126 PolarHBondContact N-O 2.66Å; A93-L127 HydrophobicContact CB-CD1 3.81Å; A93-I128 PolarHBondContact O-N 3.03Å
94	F	98.9	Very high	97	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	126.3	179.2	178.8	-126.7	0	0	0	112.1	I56 V57 C58 R59 I128 F237 L283	I56-F94 HydrophobicContact CG2-CB 4.21Å; V57-F94 PolarHBondContact O-N 2.84Å; C58-F94 CarbonylContact C-O 3.58Å; C58-F94 VanDerWaalsContact CA-O 3.23Å; C58-F94 WeakPolarHBondContact CA-O 3.43Å; C58-F94 HydrophobicContact CB-CD1 4.39Å; R59-F94 PolarHBondContact N-O 3.39Å; F94-I128 CarbonylContact C-O 3.46Å; F94-I128 WeakPolarHBondContact CA-O 3.17Å; F94-I128 HydrophobicContact CD2-CB 3.95Å; F94-I128 HydrophobicContact CD2-CG2 3.7Å; F94-I128 HydrophobicContact CE2-CG2 4.1Å; F94-F237 HydrophobicContact CB-CE1 3.94Å; F94-F237 HydrophobicContact CD1-CD1 4.27Å; F94-F237 HydrophobicContact CD1-CE1 4.15Å; F94-F237 AromaticContact CD2-CD1 3.79Å; F94-F237 HydrophobicContact CD2-CD1 3.79Å; F94-F237 AromaticContact CD2-CE1 3.8Å; F94-F237 HydrophobicContact CD2-CE1 3.8Å; F94-F237 HydrophobicContact CE1-CD1 4.31Å; F94-F237 AromaticContact CE2-CD1 3.85Å; F94-F237 HydrophobicContact CE2-CD1 3.85Å; F94-F237 HydrophobicContact CE2-CE1 4.33Å; F94-F237 HydrophobicContact CG-CD1 4.01Å; F94-F237 AromaticContact CG-CE1 3.69Å; F94-F237 HydrophobicContact CG-CE1 3.69Å; F94-F237 HydrophobicContact CZ-CD1 4.11Å; F94-L283 HydrophobicContact CD1-CD2 4.04Å; F94-L283 HydrophobicContact CE1-CD2 3.8Å
95	I	98.8	Very high	97.2	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	112.6	171.4	-63	178	0	0	0	108.7	L81 V99 I101 L106 L127 I128 I129 S130	L81-I95 HydrophobicContact CG-CD1 4.22Å; I95-V99 HydrophobicContact CG2-CB 3.65Å; I95-V99 HydrophobicContact CG2-CG1 3.69Å; I95-V99 HydrophobicContact CG2-CG2 3.9Å; I95-I101 HydrophobicContact CG2-CD1 3.76Å; I95-I101 HydrophobicContact CG2-CG1 4.19Å; I95-L106 HydrophobicContact CD1-CD1 4.49Å; I95-L127 HydrophobicContact CD1-CD1 4.12Å; I95-L127 HydrophobicContact CG1-CD1 4.13Å; I95-I128 PolarHBondContact N-O 3.33Å; I95-I129 HydrophobicContact CB-CG1 4.4Å; I95-I129 HydrophobicContact CD1-CG1 4.33Å; I95-S130 VanDerWaalsContact O-CB 3.27Å; I95-S130 WeakPolarHBondContact O-CB 3.32Å; I95-S130 PolarHBondContact O-N 3.49Å
96	G	98.8	Very high	97.4	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	11%	0.11	C	C	.	.			trans	-72.8	167.4	-176.9	0	0	0	0	0	114.7	R59 G98 V99 G282	R59-G96 WeakPolarHBondContact O-CA 3.42Å; R59-G96 PolarHBondContact O-N 3.13Å; G96-G98 PolarHBondContact O-N 2.78Å; G96-V99 WeakPolarHBondContact O-CB 3.37Å; G96-V99 PolarHBondContact O-N 3.03Å; G96-G282 CarbonylContact C-O 3.58Å; G96-G282 WeakPolarHBondContact CA-O 3.19Å
97	N	98.9	Very high	97.5	Very high	26 Å²	26	18.8 Å²	18.8	14%	0.139	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-16.6	-179.4	61.8	-94	0	0	0	114.3	V99 R132 T281 G282	N97-V99 VanDerWaalsContact C-N 3.31Å; N97-R132 HydrophobicContact CB-CB 3.6Å; N97-T281 PolarHBondContact ND2-O 2.95Å; N97-G282 PolarHBondContact N-O 3.41Å; N97-G282 PolarHBondContact OD1-O 3.33Å; N97-G282 VanDerWaalsContact OD1-O 3.09Å
98	G	98.5	Very high	97.8	Very high	1 Å²	1	22.6 Å²	22.6	1%	0.01	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-22.3	175.1	0	0	0	0	0	112.9	C60 Q61 G96 Y170 G282	C60-G98 CarbonylContact O-C 3.54Å; C60-G98 WeakPolarHBondContact O-CA 3.27Å; C60-G98 PolarHBondContact O-N 3.28Å; Q61-G98 PolarHBondContact OE1-O 3.24Å; G96-G98 PolarHBondContact O-N 2.78Å; G98-Y170 PolarHBondContact O-OH 2.95Å; G98-G282 PolarHBondContact N-O 3.46Å
99	V	98.8	Very high	97.9	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	13%	0.125	C	C	.	.			trans	-72.8	148.5	-176.6	-177	0	0	0	0	111.8	R59 C60 G62 L81 I95 G96 N97 I101 H134	R59-V99 HydrophobicContact CB-CG2 4.11Å; R59-V99 WeakPolarHBondContact O-CG2 3.47Å; C60-V99 PolarHBondContact O-N 3.09Å; G62-V99 WeakPolarHBondContact O-CA 3.4Å; G62-V99 WeakPolarHBondContact O-CG1 3.45Å; L81-V99 HydrophobicContact CD1-CG1 3.57Å; I95-V99 HydrophobicContact CG2-CB 3.65Å; I95-V99 HydrophobicContact CG2-CG1 3.69Å; I95-V99 HydrophobicContact CG2-CG2 3.9Å; G96-V99 WeakPolarHBondContact O-CB 3.37Å; G96-V99 PolarHBondContact O-N 3.03Å; N97-V99 VanDerWaalsContact C-N 3.31Å; V99-I101 HydrophobicContact CG1-CG1 4.12Å; V99-H134 PolarHBondContact O-N 3.31Å
100	V	98.7	Very high	98	Very high	1 Å²	1	17.8 Å²	17.8	1%	0.006	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	128.1	169.7	-65.3	0	0	0	0	109.8	G62 G63 H134 V136 I166 V169 Y170	G62-V100 WeakPolarHBondContact O-CG2 3.27Å; G62-V100 PolarHBondContact O-N 2.84Å; G63-V100 WeakPolarHBondContact CA-O 3.43Å; V100-H134 CarbonylContact C-O 3.58Å; V100-H134 WeakPolarHBondContact CA-O 3.45Å; V100-H134 HydrophobicContact CG1-CB 3.98Å; V100-V136 HydrophobicContact CB-CG2 3.83Å; V100-V136 HydrophobicContact CG2-CG2 4.07Å; V100-I166 HydrophobicContact CG2-CD1 3.93Å; V100-V169 HydrophobicContact CB-CG1 3.66Å; V100-V169 HydrophobicContact CB-CG2 4.23Å; V100-V169 HydrophobicContact CG1-CB 4.48Å; V100-V169 HydrophobicContact CG1-CG1 3.61Å; V100-V169 HydrophobicContact CG1-CG2 4.01Å; V100-V169 HydrophobicContact CG2-CG1 3.71Å; V100-Y170 HydrophobicContact CB-CE2 4.45Å; V100-Y170 HydrophobicContact CG1-CD1 4.34Å; V100-Y170 HydrophobicContact CG1-CD2 4.27Å; V100-Y170 HydrophobicContact CG1-CE1 3.94Å; V100-Y170 HydrophobicContact CG1-CE2 3.86Å; V100-Y170 HydrophobicContact CG1-CG 4.48Å; V100-Y170 HydrophobicContact CG2-CD2 4.36Å; V100-Y170 HydrophobicContact CG2-CE2 3.66Å
101	I	98.8	Very high	98	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	116.7	-165.5	-60.2	174.7	0	0	0	110.4	L81 I95 V99 L103 L106 I129 A133 H134 I135 V136 M181	L81-I101 HydrophobicContact CD2-CB 4.17Å; L81-I101 HydrophobicContact CD2-CG1 4.15Å; L81-I101 HydrophobicContact CD2-CG2 3.78Å; I95-I101 HydrophobicContact CG2-CD1 3.76Å; I95-I101 HydrophobicContact CG2-CG1 4.19Å; V99-I101 HydrophobicContact CG1-CG1 4.12Å; I101-L103 HydrophobicContact CG2-CD2 4.16Å; I101-L103 HydrophobicContact CG2-CG 4.46Å; I101-L106 HydrophobicContact CG2-CD2 4.25Å; I101-I129 HydrophobicContact CD1-CG2 3.6Å; I101-A133 HydrophobicContact CD1-CB 3.66Å; I101-A133 HydrophobicContact CG1-CB 4.3Å; I101-H134 PolarHBondContact N-O 2.77Å; I101-I135 CarbonylContact O-C 3.55Å; I101-I135 WeakPolarHBondContact O-CA 3.35Å; I101-V136 PolarHBondContact O-N 3.18Å; I101-M181 HydrophobicContact CD1-CG 4.24Å; I101-M181 HydrophobicContact CD1-SD 4.38Å
102	H	98.6	Very high	97.9	Very high	14 Å²	14	19.9 Å²	19.9	7%	0.065	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	110.2	163.8	-175.4	-125.1	0	0	0	108.4	G105 L106 V136 D138 Q141	H102-G105 PolarHBondContact ND1-N 3.47Å; H102-G105 VanDerWaalsContact ND1-N 3.12Å; H102-G105 PolarHBondContact O-N 2.86Å; H102-L106 PolarHBondContact O-N 3.15Å; H102-V136 HydrophobicContact CB-CB 3.87Å; H102-V136 HydrophobicContact CB-CG1 4.31Å; H102-V136 HydrophobicContact CB-CG2 4.5Å; H102-V136 PolarHBondContact CD2-O 3.05Å; H102-D138 IonicContact CD2-OD1 2.71Å; H102-D138 IonicContact CE1-OD1 2.91Å; H102-D138 IonicContact NE2-OD1 3.21Å; H102-D138 PolarHBondContact NE2-OD1 3Å; H102-Q141 PolarHBondContact CD2-NE2 3.07Å; H102-Q141 PolarHBondContact CE1-NE2 3.19Å; H102-Q141 VanDerWaalsContact CE1-NE2 3.35Å; H102-Q141 PolarHBondContact ND1-NE2 3.33Å; H102-Q141 VanDerWaalsContact ND1-NE2 3.19Å
103	L	98.4	Very high	97.8	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-61.5	-46.8	-174.3	-72.4	165.4	0	0	0	113.4	I101 G105 L106 F107 I135 M181 L184 L220 Y223 I227	I101-L103 HydrophobicContact CG2-CD2 4.16Å; I101-L103 HydrophobicContact CG2-CG 4.46Å; L103-G105 VanDerWaalsContact C-N 3.31Å; L103-G105 PolarHBondContact O-N 3.39Å; L103-L106 PolarHBondContact O-N 2.87Å; L103-F107 WeakPolarHBondContact O-CD2 3.25Å; L103-F107 PolarHBondContact O-N 3Å; L103-I135 HydrophobicContact CD1-CG2 4.32Å; L103-M181 HydrophobicContact CD2-CE 4.08Å; L103-M181 HydrophobicContact CD2-SD 4.33Å; L103-L184 HydrophobicContact CD1-CD2 3.46Å; L103-L184 VanDerWaalsContact CD1-CD2 3.46Å; L103-L220 HydrophobicContact CD1-CD2 3.72Å; L103-Y223 HydrophobicContact CB-CD2 4.22Å; L103-Y223 HydrophobicContact CB-CG 4.22Å; L103-I227 HydrophobicContact CD2-CG1 4.15Å
104	P	98.1	Very high	97.6	Very high	27 Å²	27	20.9 Å²	20.9	18%	0.175	11%	0.106	C	C	.	.	H	α-helix	trans	-56.4	-46	173.3	-21	29.3	0	0	0	112.1	L106 F107 E108 Y223	P104-L106 PolarHBondContact O-N 3.41Å; P104-F107 PolarHBondContact O-N 3.04Å; P104-E108 VanDerWaalsContact O-CB 3.28Å; P104-E108 WeakPolarHBondContact O-CB 3.33Å; P104-E108 PolarHBondContact O-N 3.22Å; P104-Y223 HydrophobicContact CB-CE2 4.19Å; P104-Y223 HydrophobicContact CG-CE2 3.73Å
105	G	97.3	Very high	97.5	Very high	9 Å²	9	28.7 Å²	28.7	9%	0.093	14%	0.142	C	C	.	.	H	α-helix	trans	-62.5	-37.2	179.3	0	0	0	0	0	114	H102 L103 E109	H102-G105 PolarHBondContact ND1-N 3.47Å; H102-G105 VanDerWaalsContact ND1-N 3.12Å; H102-G105 PolarHBondContact O-N 2.86Å; L103-G105 VanDerWaalsContact C-N 3.31Å; L103-G105 PolarHBondContact O-N 3.39Å; G105-E109 VanDerWaalsContact O-CB 3.27Å; G105-E109 WeakPolarHBondContact O-CB 3.28Å; G105-E109 PolarHBondContact O-N 2.82Å
106	L	98	Very high	97.2	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-62.1	-49.6	175.4	176.2	60.8	0	0	0	111.6	L81 L82 I95 I101 H102 L103 P104 A110 I129 I227	L81-L106 HydrophobicContact CB-CD1 4.49Å; L81-L106 HydrophobicContact CD2-CB 3.99Å; L81-L106 HydrophobicContact CD2-CD1 4Å; L81-L106 HydrophobicContact CD2-CG 4.41Å; L81-L106 HydrophobicContact CG-CD1 4.44Å; L82-L106 HydrophobicContact CD2-CD1 3.65Å; L82-L106 HydrophobicContact CG-CD1 3.97Å; I95-L106 HydrophobicContact CD1-CD1 4.49Å; I101-L106 HydrophobicContact CG2-CD2 4.25Å; H102-L106 PolarHBondContact O-N 3.15Å; L103-L106 PolarHBondContact O-N 2.87Å; P104-L106 PolarHBondContact O-N 3.41Å; L106-A110 PolarHBondContact O-N 3.25Å; L106-A110 VanDerWaalsContact O-N 3.09Å; L106-I129 HydrophobicContact CD2-CD1 3.99Å; L106-I227 HydrophobicContact CD2-CD1 3.93Å
107	F	97.8	Very high	96.8	Very high	3 Å²	3	33.5 Å²	33.5	1%	0.013	17%	0.17	C	C	.	.	H	α-helix	trans	-70.7	-39.3	-179	-78.4	-72	0	0	0	111.7	L103 P104 E109 A110 E111 W123 Y223 R226 I227 M230	L103-F107 WeakPolarHBondContact O-CD2 3.25Å; L103-F107 PolarHBondContact O-N 3Å; P104-F107 PolarHBondContact O-N 3.04Å; F107-E109 VanDerWaalsContact C-N 3.33Å; F107-E109 PolarHBondContact O-N 3.38Å; F107-A110 PolarHBondContact O-N 3.16Å; F107-E111 VanDerWaalsContact O-CB 3.26Å; F107-E111 WeakPolarHBondContact O-CB 3.42Å; F107-E111 WeakPolarHBondContact O-CG 3.47Å; F107-E111 PolarHBondContact O-N 3.41Å; F107-W123 HydrophobicContact CD1-CH2 4.06Å; F107-W123 HydrophobicContact CD1-CZ2 4.2Å; F107-W123 AromaticContact CE1-CH2 3.95Å; F107-W123 HydrophobicContact CE1-CH2 3.95Å; F107-W123 HydrophobicContact CE1-CZ2 4.28Å; F107-Y223 HydrophobicContact CB-CE1 4.12Å; F107-Y223 AromaticContact CD2-CD1 3.25Å; F107-Y223 HydrophobicContact CD2-CD1 3.25Å; F107-Y223 AromaticContact CD2-CE1 3.6Å; F107-Y223 HydrophobicContact CD2-CE1 3.6Å; F107-Y223 HydrophobicContact CD2-CG 4.22Å; F107-Y223 AromaticContact CE2-CD1 3.55Å; F107-Y223 HydrophobicContact CE2-CD1 3.55Å; F107-Y223 HydrophobicContact CE2-CE1 4.35Å; F107-Y223 HydrophobicContact CE2-CG 4.28Å; F107-Y223 HydrophobicContact CG-CD1 4.1Å; F107-Y223 HydrophobicContact CG-CE1 4.1Å; F107-R226 VanDerWaalsContact CD1-NH2 3.27Å; F107-R226 HydrophobicContact CE1-CB 3.94Å; F107-R226 HydrophobicContact CE2-CB 4.34Å; F107-R226 HydrophobicContact CZ-CB 3.52Å; F107-I227 HydrophobicContact CE2-CD1 4.19Å; F107-I227 HydrophobicContact CZ-CB 4.39Å; F107-I227 HydrophobicContact CZ-CD1 3.95Å; F107-M230 HydrophobicContact CE1-CE 4.44Å; F107-M230 HydrophobicContact CZ-CE 4.37Å
108	E	97.1	Very high	96.4	Very high	98 Å²	98	40.8 Å²	40.8	46%	0.458	20%	0.2	S	C	.	.	H	α-helix	trans	-59.1	-44.4	174.6	-174.3	-169.4	162.4	0	0	111.4	P104 K112	P104-E108 VanDerWaalsContact O-CB 3.28Å; P104-E108 WeakPolarHBondContact O-CB 3.33Å; P104-E108 PolarHBondContact O-N 3.22Å; E108-K112 HydrophobicContact CG-CD 4.09Å; E108-K112 VanDerWaalsContact O-CB 3.26Å; E108-K112 WeakPolarHBondContact O-CB 3.38Å; E108-K112 WeakPolarHBondContact O-CG 3.36Å; E108-K112 PolarHBondContact O-N 3.39Å; E108-K112 VanDerWaalsContact OE1-CE 3.31Å; E108-K112 WeakPolarHBondContact OE1-CE 3.5Å; E108-K112 IonicContact OE1-NZ 3.96Å; E108-K112 PolarHBondContact OE1-NZ 3.16Å
109	E	96.3	Very high	95.8	Very high	12 Å²	12	41.9 Å²	41.9	6%	0.056	21%	0.212	C	C	.	.	H	α-helix	trans	-59.1	-50	175	177.6	-174.2	164	0	0	111.6	F79 H80 L81 L82 G105 F107 N113	F79-E109 VanDerWaalsContact CA-OE1 3.3Å; F79-E109 WeakPolarHBondContact CA-OE1 3.41Å; H80-E109 VanDerWaalsContact N-CD 3.27Å; H80-E109 PolarHBondContact N-OE1 3.45Å; H80-E109 PolarHBondContact N-OE2 3.1Å; L81-E109 WeakPolarHBondContact CB-OE2 3.14Å; L81-E109 PolarHBondContact N-OE1 3.29Å; L81-E109 PolarHBondContact N-OE2 2.81Å; L82-E109 WeakPolarHBondContact CB-OE1 3.41Å; L82-E109 HydrophobicContact CD1-CG 4.39Å; L82-E109 PolarHBondContact N-OE1 2.65Å; L82-E109 VanDerWaalsContact N-OE1 3.08Å; G105-E109 VanDerWaalsContact O-CB 3.27Å; G105-E109 WeakPolarHBondContact O-CB 3.28Å; G105-E109 PolarHBondContact O-N 2.82Å; F107-E109 VanDerWaalsContact C-N 3.33Å; F107-E109 PolarHBondContact O-N 3.38Å; E109-N113 PolarHBondContact O-N 2.74Å; E109-N113 VanDerWaalsContact O-N 3.1Å; E109-N113 PolarHBondContact O-ND2 2.94Å
110	A	96.1	Very high	95.5	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-64.3	-47.9	-179	0	0	0	0	0	112.1	L82 L106 F107 K112 N113 V114 W123	L82-A110 HydrophobicContact CD1-CB 4.12Å; L106-A110 PolarHBondContact O-N 3.25Å; L106-A110 VanDerWaalsContact O-N 3.09Å; F107-A110 PolarHBondContact O-N 3.16Å; A110-K112 PolarHBondContact O-N 2.74Å; A110-N113 PolarHBondContact O-N 3.23Å; A110-V114 WeakPolarHBondContact O-CG2 3.47Å; A110-V114 PolarHBondContact O-N 2.99Å; A110-W123 HydrophobicContact CB-CD2 3.96Å; A110-W123 VanDerWaalsContact CB-CE2 3.49Å; A110-W123 HydrophobicContact CB-CE3 4.28Å; A110-W123 HydrophobicContact CB-CH2 3.74Å; A110-W123 HydrophobicContact CB-CZ2 3.38Å; A110-W123 HydrophobicContact CB-CZ3 4.17Å
111	E	96.2	Very high	95.1	Very high	78 Å²	78	48.7 Å²	48.7	36%	0.364	24%	0.243	S	C	.	.	H	α-helix	trans	-62.9	-41.8	-179.4	-71.6	167.5	-169.5	0	0	111.4	F107 N113 V114 Q115 R226	F107-E111 VanDerWaalsContact O-CB 3.26Å; F107-E111 WeakPolarHBondContact O-CB 3.42Å; F107-E111 WeakPolarHBondContact O-CG 3.47Å; F107-E111 PolarHBondContact O-N 3.41Å; E111-N113 VanDerWaalsContact C-N 3.34Å; E111-N113 PolarHBondContact O-N 2.97Å; E111-V114 PolarHBondContact O-N 3.13Å; E111-Q115 VanDerWaalsContact O-CG 3.31Å; E111-Q115 WeakPolarHBondContact O-CG 3.33Å; E111-Q115 PolarHBondContact O-N 3.07Å; E111-R226 IonicContact OE1-CZ 3.29Å; E111-R226 VanDerWaalsContact OE1-CZ 3.31Å; E111-R226 IonicContact OE1-NH1 3.45Å; E111-R226 PolarHBondContact OE1-NH1 3.44Å; E111-R226 IonicContact OE1-NH2 2.85Å; E111-R226 PolarHBondContact OE1-NH2 2.94Å
112	K	95.7	Very high	94.9	Very high	106 Å²	106	49.7 Å²	49.7	46%	0.461	25%	0.254	S	S	.	.	H	α-helix	trans	-59.9	-44.1	173.3	-79.8	175.6	172.7	176.7	0	111.8	E108 A110 Q115 K116	E108-K112 HydrophobicContact CG-CD 4.09Å; E108-K112 VanDerWaalsContact O-CB 3.26Å; E108-K112 WeakPolarHBondContact O-CB 3.38Å; E108-K112 WeakPolarHBondContact O-CG 3.36Å; E108-K112 PolarHBondContact O-N 3.39Å; E108-K112 VanDerWaalsContact OE1-CE 3.31Å; E108-K112 WeakPolarHBondContact OE1-CE 3.5Å; E108-K112 IonicContact OE1-NZ 3.96Å; E108-K112 PolarHBondContact OE1-NZ 3.16Å; A110-K112 PolarHBondContact O-N 2.74Å; K112-Q115 PolarHBondContact O-N 3.33Å; K112-K116 WeakPolarHBondContact O-CG 3.41Å; K112-K116 PolarHBondContact O-N 2.8Å
113	N	95.5	Very high	94.9	Very high	1 Å²	1	49.2 Å²	49.2	1%	0.005	25%	0.251	C	S	.	.	H	α-helix	trans	-68.4	-37	179.5	-79.5	-31.7	0	0	0	112.7	Y77 D78 E109 A110 E111 Q115 K116 L120	Y77-N113 WeakPolarHBondContact CA-OD1 3.36Å; Y77-N113 HydrophobicContact CD1-CB 4.01Å; Y77-N113 WeakPolarHBondContact CE1-O 3.32Å; D78-N113 PolarHBondContact N-OD1 3.03Å; D78-N113 PolarHBondContact O-ND2 3.41Å; E109-N113 PolarHBondContact O-N 2.74Å; E109-N113 VanDerWaalsContact O-N 3.1Å; E109-N113 PolarHBondContact O-ND2 2.94Å; A110-N113 PolarHBondContact O-N 3.23Å; E111-N113 VanDerWaalsContact C-N 3.34Å; E111-N113 PolarHBondContact O-N 2.97Å; N113-Q115 VanDerWaalsContact C-N 3.3Å; N113-Q115 PolarHBondContact O-N 2.82Å; N113-K116 PolarHBondContact O-N 2.94Å; N113-L120 HydrophobicContact CB-CD1 4.14Å; N113-L120 HydrophobicContact CB-CG 4.03Å
114	V	95.2	Very high	94.8	Very high	63 Å²	63	53.3 Å²	53.3	38%	0.382	27%	0.27	S	S	.	.	H	α-helix	trans	-62.3	-37.7	173.4	170.3	0	0	0	0	111.4	A110 E111 K116 G117 L120	A110-V114 WeakPolarHBondContact O-CG2 3.47Å; A110-V114 PolarHBondContact O-N 2.99Å; E111-V114 PolarHBondContact O-N 3.13Å; V114-K116 VanDerWaalsContact C-N 3.26Å; V114-K116 PolarHBondContact O-N 3.14Å; V114-G117 PolarHBondContact O-N 2.91Å; V114-L120 HydrophobicContact CG2-CB 3.99Å
115	Q	95.4	Very high	94.8	Very high	163 Å²	163	60.9 Å²	60.9	76%	0.762	30%	0.301	S	S	*	.	H	α-helix	trans	-66.5	-26.5	177	-72	171	5.5	0	0	113.5	E111 K112 N113	E111-Q115 VanDerWaalsContact O-CG 3.31Å; E111-Q115 WeakPolarHBondContact O-CG 3.33Å; E111-Q115 PolarHBondContact O-N 3.07Å; K112-Q115 PolarHBondContact O-N 3.33Å; N113-Q115 VanDerWaalsContact C-N 3.3Å; N113-Q115 PolarHBondContact O-N 2.82Å
116	K	92.9	Very high	94.8	Very high	78 Å²	78	62.1 Å²	62.1	34%	0.339	30%	0.303	S	S	.	.	H	α-helix	trans	-76.9	-29.9	-179.5	-67.4	174.3	-179.1	-177.1	0	113	V75 E76 Y77 D78 K112 N113 V114	V75-K116 HydrophobicContact CG1-CB 3.85Å; V75-K116 WeakPolarHBondContact CG1-O 3.17Å; E76-K116 WeakPolarHBondContact O-CD 3.38Å; E76-K116 WeakPolarHBondContact O-CE 3.49Å; E76-K116 PolarHBondContact O-NZ 3.48Å; Y77-K116 HydrophobicContact CE1-CB 4.5Å; D78-K116 VanDerWaalsContact CG-NZ 3.29Å; D78-K116 IonicContact OD2-NZ 3.14Å; D78-K116 PolarHBondContact OD2-NZ 3.09Å; K112-K116 WeakPolarHBondContact O-CG 3.41Å; K112-K116 PolarHBondContact O-N 2.8Å; N113-K116 PolarHBondContact O-N 2.94Å; V114-K116 VanDerWaalsContact C-N 3.26Å; V114-K116 PolarHBondContact O-N 3.14Å
117	G	91.3	Very high	94.8	Very high	23 Å²	23	62.2 Å²	62.2	24%	0.237	30%	0.303	C	S	.	.			trans	172.5	178.6	-178.3	0	0	0	0	0	113.8	Y77 V114 G119	Y77-G117 WeakPolarHBondContact OH-CA 3.35Å; V114-G117 PolarHBondContact O-N 2.91Å; G117-G119 PolarHBondContact O-N 2.76Å
118	K	89.8	Confident	94.9	Very high	180 Å²	180	62.4 Å²	62.4	78%	0.783	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-75.7	-2.9	-174.2	-60.2	-177.2	-179.6	-179.5	0	114.5	L120 E121	K118-L120 PolarHBondContact O-N 2.87Å; K118-L120 VanDerWaalsContact O-N 3.16Å; K118-E121 WeakPolarHBondContact O-CB 3.07Å; K118-E121 PolarHBondContact O-N 2.85Å; K118-E121 VanDerWaalsContact O-N 3.1Å
119	G	86.1	Confident	95	Very high	24 Å²	24	57.7 Å²	57.7	25%	0.247	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-61.7	-25.1	-174.8	0	0	0	0	0	114	Y77 G117	Y77-G119 WeakPolarHBondContact OH-CA 3.23Å; Y77-G119 PolarHBondContact OH-N 3.44Å; G117-G119 PolarHBondContact O-N 2.76Å
120	L	92.4	Very high	95.1	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-108.5	14.9	177.7	-84.6	-121.4	0	0	0	113.6	F79 L82 I86 I87 N113 V114 K118 G122 W123	F79-L120 HydrophobicContact CE1-CD1 4.24Å; F79-L120 HydrophobicContact CE1-CD2 4.19Å; F79-L120 HydrophobicContact CZ-CD2 4.14Å; L82-L120 HydrophobicContact CD1-CD1 4.07Å; I86-L120 HydrophobicContact CG2-CD1 4.23Å; I86-L120 HydrophobicContact CG2-CD2 3.92Å; I87-L120 HydrophobicContact CD1-CD2 3.83Å; N113-L120 HydrophobicContact CB-CD1 4.14Å; N113-L120 HydrophobicContact CB-CG 4.03Å; V114-L120 HydrophobicContact CG2-CB 3.99Å; K118-L120 PolarHBondContact O-N 2.87Å; K118-L120 VanDerWaalsContact O-N 3.16Å; L120-G122 PolarHBondContact O-N 3Å; L120-W123 HydrophobicContact CD1-CB 4.06Å; L120-W123 HydrophobicContact CD1-CG 4.34Å; L120-W123 WeakPolarHBondContact O-CB 3.36Å; L120-W123 VanDerWaalsContact O-CD1 3.29Å; L120-W123 PolarHBondContact O-N 2.82Å; L120-W123 VanDerWaalsContact O-N 3.15Å
121	E	91.2	Very high	95.2	Very high	143 Å²	143	58.6 Å²	58.6	67%	0.668	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	125.7	174.3	-172	86	-136.6	0	0	110.6	K118 W123	K118-E121 WeakPolarHBondContact O-CB 3.07Å; K118-E121 PolarHBondContact O-N 2.85Å; K118-E121 VanDerWaalsContact O-N 3.1Å; E121-W123 VanDerWaalsContact C-N 3.32Å; E121-W123 PolarHBondContact O-N 3.22Å
122	G	94.4	Very high	95.4	Very high	21 Å²	21	58.8 Å²	58.8	22%	0.216	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	67.2	24.6	179.2	0	0	0	0	0	115.4	L120 E124 K125	L120-G122 PolarHBondContact O-N 3Å; G122-E124 PolarHBondContact O-N 2.93Å; G122-K125 WeakPolarHBondContact O-CB 3.49Å; G122-K125 PolarHBondContact O-N 3.27Å
123	W	97	Very high	95.5	Very high	4 Å²	4	53.7 Å²	53.7	2%	0.015	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-53.1	-33.1	177.2	69.5	-82.9	0	0	0	113.1	L82 I86 F107 A110 L120 E121 K125 R126 L127 M230	L82-W123 HydrophobicContact CD2-CE3 4.35Å; L82-W123 HydrophobicContact CD2-CZ3 4.41Å; I86-W123 HydrophobicContact CD1-CB 3.96Å; F107-W123 HydrophobicContact CD1-CH2 4.06Å; F107-W123 HydrophobicContact CD1-CZ2 4.2Å; F107-W123 AromaticContact CE1-CH2 3.95Å; F107-W123 HydrophobicContact CE1-CH2 3.95Å; F107-W123 HydrophobicContact CE1-CZ2 4.28Å; A110-W123 HydrophobicContact CB-CD2 3.96Å; A110-W123 VanDerWaalsContact CB-CE2 3.49Å; A110-W123 HydrophobicContact CB-CE3 4.28Å; A110-W123 HydrophobicContact CB-CH2 3.74Å; A110-W123 HydrophobicContact CB-CZ2 3.38Å; A110-W123 HydrophobicContact CB-CZ3 4.17Å; L120-W123 HydrophobicContact CD1-CB 4.06Å; L120-W123 HydrophobicContact CD1-CG 4.34Å; L120-W123 WeakPolarHBondContact O-CB 3.36Å; L120-W123 VanDerWaalsContact O-CD1 3.29Å; L120-W123 PolarHBondContact O-N 2.82Å; L120-W123 VanDerWaalsContact O-N 3.15Å; E121-W123 VanDerWaalsContact C-N 3.32Å; E121-W123 PolarHBondContact O-N 3.22Å; W123-K125 PolarHBondContact O-N 2.9Å; W123-R126 CarbonylContact O-C 3.58Å; W123-R126 PolarHBondContact O-N 2.8Å; W123-L127 HydrophobicContact CE3-CB 4.17Å; W123-L127 HydrophobicContact CE3-CD2 3.98Å; W123-L127 HydrophobicContact CZ3-CB 4.43Å; W123-L127 HydrophobicContact CZ3-CD2 3.54Å; W123-L127 PolarHBondContact O-N 3.26Å; W123-M230 HydrophobicContact CH2-CE 4.26Å; W123-M230 HydrophobicContact CH2-SD 4.33Å; W123-M230 HydrophobicContact CZ3-CE 4.4Å; W123-M230 HydrophobicContact CZ3-SD 3.88Å
124	E	96.9	Very high	95.7	Very high	86 Å²	86	54.6 Å²	54.6	40%	0.402	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-61.5	-28.5	179.7	-57	90	159.2	0	0	112.4	G122 R126 M230	G122-E124 PolarHBondContact O-N 2.93Å; E124-R126 VanDerWaalsContact C-N 3.26Å; E124-R126 PolarHBondContact O-N 3.41Å; E124-M230 HydrophobicContact CB-CE 4.43Å; E124-M230 HydrophobicContact CB-SD 4.19Å; E124-M230 HydrophobicContact CG-CE 4.38Å; E124-M230 WeakPolarHBondContact O-CG 3.38Å
125	K	97.7	Very high	95.8	Very high	187 Å²	187	51.6 Å²	51.6	81%	0.813	25%	0.249	S	C	*	.	G	3₁₀ helix	trans	-78.1	-15.2	179	-60.6	177.3	-176.2	172.4	0	112.5	G122 W123	G122-K125 WeakPolarHBondContact O-CB 3.49Å; G122-K125 PolarHBondContact O-N 3.27Å; W123-K125 PolarHBondContact O-N 2.9Å
126	R	97.9	Very high	96	Very high	35 Å²	35	44 Å²	44	13%	0.132	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.7	-6.2	-174.2	-61.4	-174.4	-61.7	107.5	-5.4	112.7	I86 N88 P89 V91 T92 A93 W123 E124	I86-R126 VanDerWaalsContact O-CZ 3.31Å; I86-R126 PolarHBondContact O-NH1 3.27Å; I86-R126 PolarHBondContact O-NH2 3.13Å; N88-R126 PolarHBondContact O-NH1 3.04Å; P89-R126 WeakPolarHBondContact O-CD 3.36Å; V91-R126 PolarHBondContact O-NH1 3.12Å; T92-R126 CarbonylContact C-O 3.48Å; T92-R126 WeakPolarHBondContact CA-O 3.24Å; A93-R126 PolarHBondContact N-O 2.66Å; W123-R126 CarbonylContact O-C 3.58Å; W123-R126 PolarHBondContact O-N 2.8Å; E124-R126 VanDerWaalsContact C-N 3.26Å; E124-R126 PolarHBondContact O-N 3.41Å
127	L	98.7	Very high	96.3	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.005	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	129.1	174.4	-178.7	66.5	0	0	0	111.5	L82 I86 A93 I95 W123 I129 M230	L82-L127 HydrophobicContact CD2-CD1 4.01Å; L82-L127 HydrophobicContact CD2-CD2 3.65Å; L82-L127 HydrophobicContact CD2-CG 4.41Å; I86-L127 HydrophobicContact CD1-CB 4.32Å; A93-L127 HydrophobicContact CB-CD1 3.81Å; I95-L127 HydrophobicContact CD1-CD1 4.12Å; I95-L127 HydrophobicContact CG1-CD1 4.13Å; W123-L127 HydrophobicContact CE3-CB 4.17Å; W123-L127 HydrophobicContact CE3-CD2 3.98Å; W123-L127 HydrophobicContact CZ3-CB 4.43Å; W123-L127 HydrophobicContact CZ3-CD2 3.54Å; W123-L127 PolarHBondContact O-N 3.26Å; L127-I129 HydrophobicContact CD2-CD1 4.02Å; L127-I129 HydrophobicContact CD2-CG1 4.13Å; L127-I129 HydrophobicContact CG-CG1 4.14Å; L127-M230 HydrophobicContact CB-SD 4Å; L127-M230 HydrophobicContact CD2-SD 3.89Å; L127-M230 HydrophobicContact CG-SD 4.25Å; L127-M230 WeakPolarHBondContact O-CB 3.24Å; L127-M230 WeakPolarHBondContact O-CG 3.36Å
128	I	98.9	Very high	96.6	Very high	7 Å²	7	41.6 Å²	41.6	4%	0.036	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	134	174.9	-53.3	-41.8	0	0	0	109.4	T92 A93 F94 I95 M230 R232 F237	T92-I128 HydrophobicContact CG2-CD1 4.31Å; T92-I128 HydrophobicContact CG2-CG1 3.51Å; A93-I128 PolarHBondContact O-N 3.03Å; F94-I128 CarbonylContact C-O 3.46Å; F94-I128 WeakPolarHBondContact CA-O 3.17Å; F94-I128 HydrophobicContact CD2-CB 3.95Å; F94-I128 HydrophobicContact CD2-CG2 3.7Å; F94-I128 HydrophobicContact CE2-CG2 4.1Å; I95-I128 PolarHBondContact N-O 3.33Å; I128-M230 WeakPolarHBondContact CA-O 3.41Å; I128-R232 VanDerWaalsContact CD1-NH1 3.26Å; I128-R232 HydrophobicContact CG2-CG 3.4Å; I128-F237 HydrophobicContact CG1-CE2 4.23Å; I128-F237 HydrophobicContact CG1-CZ 4.19Å; I128-F237 HydrophobicContact CG2-CD1 4.39Å; I128-F237 HydrophobicContact CG2-CD2 4.43Å; I128-F237 HydrophobicContact CG2-CE1 4.45Å; I128-F237 HydrophobicContact CG2-CE2 4.48Å; I128-F237 HydrophobicContact CG2-CG 4.37Å; I128-F237 HydrophobicContact CG2-CZ 4.49Å
129	I	98.9	Very high	97	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	126.9	179.4	-59.2	173.1	0	0	0	109	I95 I101 L106 L127 D131 M181 I227 M230 V231 R232	I95-I129 HydrophobicContact CB-CG1 4.4Å; I95-I129 HydrophobicContact CD1-CG1 4.33Å; I101-I129 HydrophobicContact CD1-CG2 3.6Å; L106-I129 HydrophobicContact CD2-CD1 3.99Å; L127-I129 HydrophobicContact CD2-CD1 4.02Å; L127-I129 HydrophobicContact CD2-CG1 4.13Å; L127-I129 HydrophobicContact CG-CG1 4.14Å; I129-D131 PolarHBondContact O-N 2.88Å; I129-M181 HydrophobicContact CG2-CG 4.01Å; I129-I227 HydrophobicContact CD1-CD1 3.28Å; I129-I227 HydrophobicContact CD1-CG1 3.77Å; I129-M230 HydrophobicContact CD1-CB 4.39Å; I129-M230 PolarHBondContact N-O 3.03Å; I129-V231 HydrophobicContact CB-CG2 4.34Å; I129-V231 WeakPolarHBondContact O-CA 3.21Å; I129-R232 PolarHBondContact O-N 2.98Å
130	S	98.9	Very high	97.6	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	125.7	171.5	-175.8	0	0	0	0	110.2	I95 R132 A133	I95-S130 VanDerWaalsContact O-CB 3.27Å; I95-S130 WeakPolarHBondContact O-CB 3.32Å; I95-S130 PolarHBondContact O-N 3.49Å; S130-R132 PolarHBondContact O-N 3.41Å; S130-R132 VanDerWaalsContact O-N 3.08Å; S130-R132 PolarHBondContact OG-N 2.82Å; S130-A133 WeakPolarHBondContact O-CB 3.44Å; S130-A133 PolarHBondContact O-N 2.78Å
131	D	98.8	Very high	97.8	Very high	31 Å²	31	34.1 Å²	34.1	17%	0.166	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-19.6	173.5	69.8	-16.5	0	0	0	113.4	I129 M181 C182 V231 R232	I129-D131 PolarHBondContact O-N 2.88Å; D131-M181 CarbonylContact O-C 3.38Å; D131-M181 PolarHBondContact O-N 3.5Å; D131-C182 HydrophobicContact CB-CB 3.94Å; D131-C182 VanDerWaalsContact O-CB 3.27Å; D131-C182 WeakPolarHBondContact O-CB 3.32Å; D131-C182 PolarHBondContact O-N 3Å; D131-V231 HydrophobicContact CB-CG1 3.71Å; D131-R232 WeakPolarHBondContact CB-O 3.37Å; D131-R232 PolarHBondContact N-O 3.03Å
132	R	98.9	Very high	98.1	Very high	81 Å²	81	29.3 Å²	29.3	31%	0.306	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-2.2	179	-71.3	164.7	-176.7	83.2	-13.9	114.1	N97 S130 R180 D233	N97-R132 HydrophobicContact CB-CB 3.6Å; S130-R132 PolarHBondContact O-N 3.41Å; S130-R132 VanDerWaalsContact O-N 3.08Å; S130-R132 PolarHBondContact OG-N 2.82Å; R132-R180 WeakPolarHBondContact O-CD 3.42Å; R132-D233 IonicContact CZ-OD2 3.5Å; R132-D233 VanDerWaalsContact CZ-OD2 3.29Å; R132-D233 IonicContact NH1-OD1 2.74Å; R132-D233 IonicContact NH1-OD2 3.16Å; R132-D233 PolarHBondContact NH1-OD2 3.16Å; R132-D233 IonicContact NH2-OD2 3.05Å; R132-D233 PolarHBondContact NH2-OD2 3.43Å
133	A	98.8	Very high	98.2	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.135	C	C	.	.	P	Polyproline II helix	trans	-66.9	142.8	174.7	0	0	0	0	0	111.1	I101 S130 R180 M181	I101-A133 HydrophobicContact CD1-CB 3.66Å; I101-A133 HydrophobicContact CG1-CB 4.3Å; S130-A133 WeakPolarHBondContact O-CB 3.44Å; S130-A133 PolarHBondContact O-N 2.78Å; A133-R180 CarbonylContact O-C 3.56Å; A133-R180 WeakPolarHBondContact O-CA 3.28Å; A133-R180 WeakPolarHBondContact O-CB 3.24Å; A133-M181 HydrophobicContact CB-CG 4.1Å; A133-M181 PolarHBondContact O-N 2.86Å
134	H	98.9	Very high	98.1	Very high	19 Å²	19	28.3 Å²	28.3	9%	0.088	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	149.7	-179.2	-89.4	-99.5	0	0	0	111.8	V99 V100 I101 V169 L179	V99-H134 PolarHBondContact O-N 3.31Å; V100-H134 CarbonylContact C-O 3.58Å; V100-H134 WeakPolarHBondContact CA-O 3.45Å; V100-H134 HydrophobicContact CG1-CB 3.98Å; I101-H134 PolarHBondContact N-O 2.77Å; H134-V169 HydrophobicContact CB-CG2 4.29Å; H134-L179 WeakPolarHBondContact CA-O 3.3Å; H134-L179 PolarHBondContact ND1-O 2.86Å
135	I	98.9	Very high	97.9	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.005	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	128.7	-179.6	-55.4	168.9	0	0	0	109.9	I101 L103 F137 V169 L179 R180 M181 L184 F191	I101-I135 CarbonylContact O-C 3.55Å; I101-I135 WeakPolarHBondContact O-CA 3.35Å; L103-I135 HydrophobicContact CD1-CG2 4.32Å; I135-F137 HydrophobicContact CB-CE1 4.05Å; I135-F137 HydrophobicContact CB-CE2 4.49Å; I135-F137 HydrophobicContact CB-CZ 3.97Å; I135-F137 HydrophobicContact CD1-CZ 4.47Å; I135-F137 HydrophobicContact CG2-CD1 3.82Å; I135-F137 HydrophobicContact CG2-CE1 3.47Å; I135-F137 VanDerWaalsContact CG2-CE1 3.47Å; I135-F137 HydrophobicContact CG2-CZ 3.92Å; I135-V169 VanDerWaalsContact O-CG2 3.27Å; I135-V169 WeakPolarHBondContact O-CG2 3.37Å; I135-L179 PolarHBondContact N-O 3.42Å; I135-R180 WeakPolarHBondContact CD1-O 3.35Å; I135-M181 HydrophobicContact CD1-SD 4.22Å; I135-M181 HydrophobicContact CG1-SD 3.82Å; I135-L184 HydrophobicContact CD1-CB 3.81Å; I135-L184 HydrophobicContact CD1-CD2 4.06Å; I135-L184 HydrophobicContact CD1-CG 4.48Å; I135-F191 HydrophobicContact CD1-CE2 4.07Å; I135-F191 HydrophobicContact CD1-CZ 4.48Å
136	V	98.8	Very high	97.7	Very high	3 Å²	3	16.8 Å²	16.8	2%	0.018	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	122.6	164.6	-171.8	0	0	0	0	107.5	V100 I101 H102 H140 Q141 V169	V100-V136 HydrophobicContact CB-CG2 3.83Å; V100-V136 HydrophobicContact CG2-CG2 4.07Å; I101-V136 PolarHBondContact O-N 3.18Å; H102-V136 HydrophobicContact CB-CB 3.87Å; H102-V136 HydrophobicContact CB-CG1 4.31Å; H102-V136 HydrophobicContact CB-CG2 4.5Å; H102-V136 PolarHBondContact CD2-O 3.05Å; V136-H140 HydrophobicContact CG1-CB 4.03Å; V136-Q141 HydrophobicContact CG1-CG 4.12Å; V136-V169 HydrophobicContact CG2-CB 4.18Å; V136-V169 HydrophobicContact CG2-CG1 3.93Å; V136-V169 HydrophobicContact CG2-CG2 4.17Å
137	F	98.7	Very high	97.4	Very high	1 Å²	1	16.5 Å²	16.5	0%	0.004	9%	0.088	C	C	.	.	P	Polyproline II helix	trans	-97.3	162.3	175.3	-64.5	-56.9	0	0	0	110.4	I135 F139 H140 Q141 L179 F191 F195 L198 E216 L220	I135-F137 HydrophobicContact CB-CE1 4.05Å; I135-F137 HydrophobicContact CB-CE2 4.49Å; I135-F137 HydrophobicContact CB-CZ 3.97Å; I135-F137 HydrophobicContact CD1-CZ 4.47Å; I135-F137 HydrophobicContact CG2-CD1 3.82Å; I135-F137 HydrophobicContact CG2-CE1 3.47Å; I135-F137 VanDerWaalsContact CG2-CE1 3.47Å; I135-F137 HydrophobicContact CG2-CZ 3.92Å; F137-F139 HydrophobicContact CB-CD1 3.66Å; F137-F139 HydrophobicContact CB-CD2 4.37Å; F137-F139 HydrophobicContact CB-CE1 3.36Å; F137-F139 HydrophobicContact CB-CE2 4.09Å; F137-F139 HydrophobicContact CB-CG 4.17Å; F137-F139 HydrophobicContact CB-CZ 3.6Å; F137-F139 AromaticContact CD2-CE1 3.75Å; F137-F139 HydrophobicContact CD2-CE1 3.75Å; F137-F139 HydrophobicContact CD2-CE2 4.14Å; F137-F139 AromaticContact CD2-CZ 3.34Å; F137-F139 HydrophobicContact CD2-CZ 3.34Å; F137-F139 HydrophobicContact CE2-CZ 4.27Å; F137-F139 HydrophobicContact CG-CD1 4.44Å; F137-F139 AromaticContact CG-CE1 3.67Å; F137-F139 HydrophobicContact CG-CE1 3.67Å; F137-F139 AromaticContact CG-CZ 3.75Å; F137-F139 HydrophobicContact CG-CZ 3.75Å; F137-F139 PolarHBondContact O-N 3.39Å; F137-H140 AromaticContact CD2-CE1 3.73Å; F137-H140 AromaticContact CD2-ND1 3.96Å; F137-H140 PolarHBondContact N-ND1 3.45Å; F137-H140 VanDerWaalsContact O-CB 3.31Å; F137-H140 WeakPolarHBondContact O-CB 3.47Å; F137-H140 PolarHBondContact O-N 3.15Å; F137-Q141 PolarHBondContact O-N 2.97Å; F137-L179 HydrophobicContact CE2-CB 3.96Å; F137-L179 HydrophobicContact CE2-CD1 3.84Å; F137-L179 HydrophobicContact CE2-CG 4.41Å; F137-L179 HydrophobicContact CZ-CB 3.83Å; F137-L179 HydrophobicContact CZ-CD1 3.71Å; F137-L179 HydrophobicContact CZ-CG 4.4Å; F137-F191 AromaticContact CE1-CZ 3.98Å; F137-F191 HydrophobicContact CE1-CZ 3.98Å; F137-F191 HydrophobicContact CZ-CE2 4.24Å; F137-F191 AromaticContact CZ-CZ 3.96Å; F137-F191 HydrophobicContact CZ-CZ 3.96Å; F137-F195 HydrophobicContact CB-CE2 4.43Å; F137-F195 AromaticContact CD1-CD2 3.97Å; F137-F195 HydrophobicContact CD1-CD2 3.97Å; F137-F195 AromaticContact CD1-CE2 3.57Å; F137-F195 HydrophobicContact CD1-CE2 3.57Å; F137-F195 HydrophobicContact CD2-CD2 4.38Å; F137-F195 HydrophobicContact CD2-CE2 4.34Å; F137-F195 AromaticContact CE1-CD2 3.71Å; F137-F195 HydrophobicContact CE1-CD2 3.71Å; F137-F195 AromaticContact CE1-CE2 3.79Å; F137-F195 HydrophobicContact CE1-CE2 3.79Å; F137-F195 HydrophobicContact CE2-CD2 4.14Å; F137-F195 HydrophobicContact CG-CD2 4.3Å; F137-F195 AromaticContact CG-CE2 3.86Å; F137-F195 HydrophobicContact CG-CE2 3.86Å; F137-F195 AromaticContact CZ-CD2 3.8Å; F137-F195 HydrophobicContact CZ-CD2 3.8Å; F137-F195 HydrophobicContact CZ-CE2 4.27Å; F137-L198 HydrophobicContact CD2-CD2 4.19Å; F137-L198 HydrophobicContact CE2-CD2 4.06Å; F137-E216 WeakPolarHBondContact CA-OE1 3.43Å; F137-E216 VanDerWaalsContact CB-OE1 3.27Å; F137-E216 WeakPolarHBondContact CB-OE1 3.5Å; F137-L220 HydrophobicContact CD1-CD1 3.95Å; F137-L220 HydrophobicContact CE1-CD1 3.7Å; F137-L220 HydrophobicContact CE1-CD2 4.34Å
138	D	98.2	Very high	96.9	Very high	50 Å²	50	17 Å²	17	27%	0.267	9%	0.09	S	C	.	.	H	α-helix	trans	-61.5	-38.4	-178.7	-66.8	-16.4	0	0	0	110.4	H102 H140 Q141 A142 E216	H102-D138 IonicContact CD2-OD1 2.71Å; H102-D138 IonicContact CE1-OD1 2.91Å; H102-D138 IonicContact NE2-OD1 3.21Å; H102-D138 PolarHBondContact NE2-OD1 3Å; D138-H140 VanDerWaalsContact C-N 3.27Å; D138-H140 PolarHBondContact O-N 2.94Å; D138-Q141 WeakPolarHBondContact O-CB 3.23Å; D138-Q141 PolarHBondContact O-N 3.08Å; D138-Q141 VanDerWaalsContact O-N 3.07Å; D138-A142 PolarHBondContact O-N 3.02Å; D138-E216 PolarHBondContact N-OE1 3.47Å
139	F	98.1	Very high	96.4	Very high	3 Å²	3	22 Å²	22	1%	0.013	11%	0.113	C	C	.	.	H	α-helix	trans	-65.4	-25.6	174.4	63.8	-103.6	0	0	0	113.9	F137 A143 F195 L198 A199 Y202 L209 I211	F137-F139 HydrophobicContact CB-CD1 3.66Å; F137-F139 HydrophobicContact CB-CD2 4.37Å; F137-F139 HydrophobicContact CB-CE1 3.36Å; F137-F139 HydrophobicContact CB-CE2 4.09Å; F137-F139 HydrophobicContact CB-CG 4.17Å; F137-F139 HydrophobicContact CB-CZ 3.6Å; F137-F139 AromaticContact CD2-CE1 3.75Å; F137-F139 HydrophobicContact CD2-CE1 3.75Å; F137-F139 HydrophobicContact CD2-CE2 4.14Å; F137-F139 AromaticContact CD2-CZ 3.34Å; F137-F139 HydrophobicContact CD2-CZ 3.34Å; F137-F139 HydrophobicContact CE2-CZ 4.27Å; F137-F139 HydrophobicContact CG-CD1 4.44Å; F137-F139 AromaticContact CG-CE1 3.67Å; F137-F139 HydrophobicContact CG-CE1 3.67Å; F137-F139 AromaticContact CG-CZ 3.75Å; F137-F139 HydrophobicContact CG-CZ 3.75Å; F137-F139 PolarHBondContact O-N 3.39Å; F139-A143 WeakPolarHBondContact O-CB 3.44Å; F139-A143 PolarHBondContact O-N 3.09Å; F139-F195 HydrophobicContact CD1-CE2 4.41Å; F139-F195 HydrophobicContact CD1-CZ 4.35Å; F139-F195 HydrophobicContact CE1-CD2 4.27Å; F139-F195 AromaticContact CE1-CE2 3.62Å; F139-F195 HydrophobicContact CE1-CE2 3.62Å; F139-F195 AromaticContact CE1-CZ 3.9Å; F139-F195 HydrophobicContact CE1-CZ 3.9Å; F139-L198 HydrophobicContact CE2-CD2 4.21Å; F139-L198 HydrophobicContact CE2-CG 4.03Å; F139-L198 HydrophobicContact CZ-CB 4.44Å; F139-L198 HydrophobicContact CZ-CD2 3.89Å; F139-L198 HydrophobicContact CZ-CG 3.87Å; F139-A199 HydrophobicContact CD1-CB 4.18Å; F139-A199 HydrophobicContact CE1-CB 3.94Å; F139-A199 HydrophobicContact CZ-CB 4.46Å; F139-Y202 HydrophobicContact CD2-CD1 4.24Å; F139-Y202 AromaticContact CD2-CD2 3.85Å; F139-Y202 HydrophobicContact CD2-CD2 3.85Å; F139-Y202 HydrophobicContact CD2-CE2 4.37Å; F139-Y202 AromaticContact CD2-CG 3.77Å; F139-Y202 HydrophobicContact CD2-CG 3.77Å; F139-Y202 AromaticContact CE2-CD2 3.61Å; F139-Y202 HydrophobicContact CE2-CD2 3.61Å; F139-Y202 AromaticContact CE2-CE2 3.95Å; F139-Y202 HydrophobicContact CE2-CE2 3.95Å; F139-Y202 HydrophobicContact CE2-CG 4.05Å; F139-L209 HydrophobicContact CB-CD2 4.39Å; F139-I211 HydrophobicContact CB-CD1 3.64Å; F139-I211 HydrophobicContact CB-CG1 3.91Å; F139-I211 HydrophobicContact CB-CG2 4.23Å; F139-I211 HydrophobicContact CD1-CG2 4.27Å; F139-I211 HydrophobicContact CG-CD1 4.19Å
140	H	98.6	Very high	95.8	Very high	1 Å²	1	25.2 Å²	25.2	1%	0.005	13%	0.128	C	C	.	.	H	α-helix	trans	-66.9	-40.8	171.3	-70.6	146.2	0	0	0	110.5	V136 F137 D138 D144 G165 P168 S172 Y202	V136-H140 HydrophobicContact CG1-CB 4.03Å; F137-H140 AromaticContact CD2-CE1 3.73Å; F137-H140 AromaticContact CD2-ND1 3.96Å; F137-H140 PolarHBondContact N-ND1 3.45Å; F137-H140 VanDerWaalsContact O-CB 3.31Å; F137-H140 WeakPolarHBondContact O-CB 3.47Å; F137-H140 PolarHBondContact O-N 3.15Å; D138-H140 VanDerWaalsContact C-N 3.27Å; D138-H140 PolarHBondContact O-N 2.94Å; H140-D144 WeakPolarHBondContact O-CB 3.45Å; H140-D144 PolarHBondContact O-N 2.66Å; H140-G165 WeakPolarHBondContact O-CA 3.48Å; H140-P168 HydrophobicContact CB-CB 4.03Å; H140-P168 WeakPolarHBondContact O-CG 3.36Å; H140-S172 PolarHBondContact NE2-OG 3.43Å; H140-Y202 AromaticContact CD2-CE1 3.94Å; H140-Y202 AromaticContact CD2-CE2 3.75Å; H140-Y202 AromaticContact CD2-CZ 3.41Å; H140-Y202 VanDerWaalsContact CD2-CZ 3.41Å; H140-Y202 PolarHBondContact CD2-OH 3.49Å; H140-Y202 AromaticContact NE2-CE2 3.61Å; H140-Y202 AromaticContact NE2-CZ 3.67Å; H140-Y202 PolarHBondContact NE2-OH 2.87Å
141	Q	97.6	Very high	95.1	Very high	42 Å²	42	29.9 Å²	29.9	20%	0.196	15%	0.146	C	C	.	.	H	α-helix	trans	-66.8	-43.6	177.9	-57	-167.8	-20.6	0	0	111.6	H102 V136 F137 D138 D144 G145	H102-Q141 PolarHBondContact CD2-NE2 3.07Å; H102-Q141 PolarHBondContact CE1-NE2 3.19Å; H102-Q141 VanDerWaalsContact CE1-NE2 3.35Å; H102-Q141 PolarHBondContact ND1-NE2 3.33Å; H102-Q141 VanDerWaalsContact ND1-NE2 3.19Å; V136-Q141 HydrophobicContact CG1-CG 4.12Å; F137-Q141 PolarHBondContact O-N 2.97Å; D138-Q141 WeakPolarHBondContact O-CB 3.23Å; D138-Q141 PolarHBondContact O-N 3.08Å; D138-Q141 VanDerWaalsContact O-N 3.07Å; Q141-D144 WeakPolarHBondContact O-CB 3.19Å; Q141-D144 PolarHBondContact O-N 3.14Å; Q141-G145 PolarHBondContact O-N 2.71Å
142	A	96.6	Very high	94.3	Very high	43 Å²	43	32.3 Å²	32.3	36%	0.355	16%	0.156	S	C	.	.	H	α-helix	trans	-64.9	-42.9	177.2	0	0	0	0	0	111.9	D138 D144 G145 I146 L209	D138-A142 PolarHBondContact O-N 3.02Å; A142-D144 VanDerWaalsContact C-N 3.34Å; A142-D144 PolarHBondContact O-N 3.35Å; A142-G145 PolarHBondContact O-N 3.32Å; A142-I146 WeakPolarHBondContact O-CG1 3.35Å; A142-I146 PolarHBondContact O-N 2.88Å; A142-I146 VanDerWaalsContact O-N 3.08Å; A142-L209 HydrophobicContact CB-CD1 3.35Å
143	A	96.6	Very high	93.4	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-62.1	-37.8	175.5	0	0	0	0	0	113	F139 G145 I146 Q147 P168 Y202 Y206 L209	F139-A143 WeakPolarHBondContact O-CB 3.44Å; F139-A143 PolarHBondContact O-N 3.09Å; A143-G145 VanDerWaalsContact C-N 3.31Å; A143-G145 PolarHBondContact O-N 3.4Å; A143-I146 PolarHBondContact O-N 3.28Å; A143-Q147 WeakPolarHBondContact O-CB 3.42Å; A143-Q147 VanDerWaalsContact O-CG 3.3Å; A143-Q147 WeakPolarHBondContact O-CG 3.42Å; A143-Q147 PolarHBondContact O-N 3.15Å; A143-P168 HydrophobicContact CB-CG 4.33Å; A143-Y202 HydrophobicContact CB-CD1 3.82Å; A143-Y202 HydrophobicContact CB-CE1 3.91Å; A143-Y206 HydrophobicContact CB-CD2 4.11Å; A143-Y206 HydrophobicContact CB-CE2 4.02Å; A143-L209 HydrophobicContact CB-CD2 4.48Å
144	D	95	Very high	92.3	Very high	3 Å²	3	43.9 Å²	43.9	2%	0.016	21%	0.214	C	C	.	.	H	α-helix	trans	-58.9	-44	174.6	-169.8	6.7	0	0	0	111	H140 Q141 A142 Q147 E148 T161 K163 K164 G165 P168	H140-D144 WeakPolarHBondContact O-CB 3.45Å; H140-D144 PolarHBondContact O-N 2.66Å; Q141-D144 WeakPolarHBondContact O-CB 3.19Å; Q141-D144 PolarHBondContact O-N 3.14Å; A142-D144 VanDerWaalsContact C-N 3.34Å; A142-D144 PolarHBondContact O-N 3.35Å; D144-Q147 PolarHBondContact O-N 3.13Å; D144-E148 PolarHBondContact O-N 3.38Å; D144-E148 VanDerWaalsContact O-N 3.16Å; D144-T161 VanDerWaalsContact OD1-CB 3.3Å; D144-T161 WeakPolarHBondContact OD1-CB 3.42Å; D144-T161 WeakPolarHBondContact OD1-CG2 3.38Å; D144-T161 PolarHBondContact OD1-OG1 3.45Å; D144-K163 WeakPolarHBondContact OD2-CA 3.26Å; D144-K163 PolarHBondContact OD2-N 2.99Å; D144-K164 PolarHBondContact OD2-N 3.03Å; D144-K164 VanDerWaalsContact OD2-N 3.11Å; D144-G165 PolarHBondContact OD2-N 3.36Å; D144-P168 HydrophobicContact CB-CG 3.91Å
145	G	93.3	Very high	91	Very high	12 Å²	12	46.4 Å²	46.4	12%	0.124	24%	0.238	C	C	.	.	H	α-helix	trans	-61.2	-44	174.4	0	0	0	0	0	113.7	Q141 A142 A143 E148 Q149	Q141-G145 PolarHBondContact O-N 2.71Å; A142-G145 PolarHBondContact O-N 3.32Å; A143-G145 VanDerWaalsContact C-N 3.31Å; A143-G145 PolarHBondContact O-N 3.4Å; G145-E148 PolarHBondContact O-N 3.49Å; G145-Q149 WeakPolarHBondContact O-CG 3.44Å; G145-Q149 PolarHBondContact O-N 2.93Å
146	I	93.4	Very high	89.9	Confident	20 Å²	20	48.8 Å²	48.8	10%	0.103	26%	0.263	C	S	.	.	H	α-helix	trans	-65.1	-44.5	178.1	-66.6	170.3	0	0	0	110.9	A142 A143 E148 Q149 Q150 Y206 L209	A142-I146 WeakPolarHBondContact O-CG1 3.35Å; A142-I146 PolarHBondContact O-N 2.88Å; A142-I146 VanDerWaalsContact O-N 3.08Å; A143-I146 PolarHBondContact O-N 3.28Å; I146-E148 VanDerWaalsContact C-N 3.29Å; I146-E148 PolarHBondContact O-N 3.18Å; I146-Q149 WeakPolarHBondContact O-CB 3.12Å; I146-Q149 PolarHBondContact O-N 3.47Å; I146-Q149 VanDerWaalsContact O-N 3.16Å; I146-Q150 HydrophobicContact CG2-CG 4.27Å; I146-Q150 WeakPolarHBondContact O-CG 3.32Å; I146-Q150 PolarHBondContact O-N 2.83Å; I146-Y206 HydrophobicContact CG2-CD1 3.82Å; I146-Y206 HydrophobicContact CG2-CE1 4.38Å; I146-L209 HydrophobicContact CD1-CB 3.86Å; I146-L209 HydrophobicContact CD1-CD1 3.79Å; I146-L209 HydrophobicContact CD1-CG 4.39Å
147	Q	90.9	Very high	88.6	Confident	29 Å²	29	54.7 Å²	54.7	14%	0.136	29%	0.288	C	S	.	.	H	α-helix	trans	-60.4	-38.8	178.9	-74.3	175.6	10.5	0	0	112.3	A143 D144 R151 Y206	A143-Q147 WeakPolarHBondContact O-CB 3.42Å; A143-Q147 VanDerWaalsContact O-CG 3.3Å; A143-Q147 WeakPolarHBondContact O-CG 3.42Å; A143-Q147 PolarHBondContact O-N 3.15Å; D144-Q147 PolarHBondContact O-N 3.13Å; Q147-R151 WeakPolarHBondContact O-CB 3.49Å; Q147-R151 WeakPolarHBondContact O-CG 3.26Å; Q147-R151 PolarHBondContact O-N 2.92Å; Q147-Y206 HydrophobicContact CG-CE1 4.08Å; Q147-Y206 WeakPolarHBondContact CG-OH 3.16Å; Q147-Y206 PolarHBondContact NE2-OH 2.81Å
148	E	87.9	Confident	87.7	Confident	11 Å²	11	57.1 Å²	57.1	5%	0.051	30%	0.301	C	S	.	.	H	α-helix	trans	-65.4	-40	175.2	-83.2	-73.9	87.5	0	0	112.6	D144 G145 I146 Q152 L159 G160 T161	D144-E148 PolarHBondContact O-N 3.38Å; D144-E148 VanDerWaalsContact O-N 3.16Å; G145-E148 PolarHBondContact O-N 3.49Å; I146-E148 VanDerWaalsContact C-N 3.29Å; I146-E148 PolarHBondContact O-N 3.18Å; E148-Q152 WeakPolarHBondContact O-CB 3.31Å; E148-Q152 PolarHBondContact O-N 2.86Å; E148-L159 WeakPolarHBondContact OE1-CB 3.49Å; E148-L159 PolarHBondContact OE1-N 3.05Å; E148-L159 PolarHBondContact OE2-N 3.36Å; E148-G160 VanDerWaalsContact OE2-CA 3.25Å; E148-G160 WeakPolarHBondContact OE2-CA 3.44Å; E148-G160 PolarHBondContact OE2-N 3.16Å; E148-T161 HydrophobicContact CG-CG2 3.76Å; E148-T161 VanDerWaalsContact CG-OG1 3.31Å; E148-T161 WeakPolarHBondContact CG-OG1 3.42Å; E148-T161 PolarHBondContact OE2-N 3.31Å
149	Q	87.8	Confident	86.7	Confident	111 Å²	111	56.9 Å²	56.9	52%	0.519	30%	0.3	S	S	.	.	H	α-helix	trans	-63.1	-49.4	175.6	-70.7	170	-8.6	0	0	110.9	G145 I146 R151 Q152 E153	G145-Q149 WeakPolarHBondContact O-CG 3.44Å; G145-Q149 PolarHBondContact O-N 2.93Å; I146-Q149 WeakPolarHBondContact O-CB 3.12Å; I146-Q149 PolarHBondContact O-N 3.47Å; I146-Q149 VanDerWaalsContact O-N 3.16Å; Q149-R151 PolarHBondContact O-N 3.45Å; Q149-Q152 WeakPolarHBondContact O-CB 3.43Å; Q149-Q152 PolarHBondContact O-N 3.2Å; Q149-Q152 VanDerWaalsContact O-N 3.17Å; Q149-E153 WeakPolarHBondContact O-CG 3.4Å; Q149-E153 PolarHBondContact O-N 3.45Å
150	Q	87.2	Confident	85.8	Confident	68 Å²	68	58.1 Å²	58.1	32%	0.318	31%	0.314	S	S	.	.	H	α-helix	trans	-60.6	-42.2	179.1	-70.2	176.4	-11	0	0	112.3	I146 E153 Q154	I146-Q150 HydrophobicContact CG2-CG 4.27Å; I146-Q150 WeakPolarHBondContact O-CG 3.32Å; I146-Q150 PolarHBondContact O-N 2.83Å; Q150-E153 PolarHBondContact O-N 3.36Å; Q150-Q154 WeakPolarHBondContact O-CB 3.24Å; Q150-Q154 VanDerWaalsContact O-CG 3.28Å; Q150-Q154 WeakPolarHBondContact O-CG 3.26Å; Q150-Q154 PolarHBondContact O-N 3.28Å
151	R	83.4	Confident	84.9	Confident	98 Å²	98	60.2 Å²	60.2	37%	0.37	33%	0.327	S	S	.	.	H	α-helix	trans	-62.9	-42.3	175.6	-79	-176.9	-124.4	-94.3	1.1	112.1	Q147 Q149 E153 Q154 A155 K157	Q147-R151 WeakPolarHBondContact O-CB 3.49Å; Q147-R151 WeakPolarHBondContact O-CG 3.26Å; Q147-R151 PolarHBondContact O-N 2.92Å; Q149-R151 PolarHBondContact O-N 3.45Å; R151-E153 VanDerWaalsContact C-N 3.33Å; R151-E153 PolarHBondContact O-N 3.21Å; R151-Q154 PolarHBondContact O-N 2.91Å; R151-A155 WeakPolarHBondContact O-CB 3.11Å; R151-A155 PolarHBondContact O-N 3.27Å; R151-K157 CarbonylContact C-O 3.51Å
152	Q	83.3	Confident	84.2	Confident	82 Å²	82	61.6 Å²	61.6	38%	0.383	34%	0.338	S	S	.	.	H	α-helix	trans	-62	-42.2	177.2	-175.1	62	39.2	0	0	111.5	E148 Q149 G156	E148-Q152 WeakPolarHBondContact O-CB 3.31Å; E148-Q152 PolarHBondContact O-N 2.86Å; Q149-Q152 WeakPolarHBondContact O-CB 3.43Å; Q149-Q152 PolarHBondContact O-N 3.2Å; Q149-Q152 VanDerWaalsContact O-N 3.17Å; Q152-G156 PolarHBondContact NE2-O 3.45Å; Q152-G156 VanDerWaalsContact NE2-O 3.12Å; Q152-G156 WeakPolarHBondContact O-CA 3.43Å; Q152-G156 PolarHBondContact O-N 3.32Å; Q152-G156 VanDerWaalsContact O-N 3.1Å
153	E	80.3	Confident	83.9	Confident	159 Å²	159	64.9 Å²	64.9	74%	0.743	34%	0.344	S	S	*	.	H	α-helix	trans	-67.8	-41.4	178.3	-71.5	170.6	-176.7	0	0	112.7	Q149 Q150 R151	Q149-E153 WeakPolarHBondContact O-CG 3.4Å; Q149-E153 PolarHBondContact O-N 3.45Å; Q150-E153 PolarHBondContact O-N 3.36Å; R151-E153 VanDerWaalsContact C-N 3.33Å; R151-E153 PolarHBondContact O-N 3.21Å
154	Q	75.2	Confident	83.8	Confident	165 Å²	165	68.8 Å²	68.8	77%	0.771	36%	0.361	S	S	*	.	H	α-helix	trans	-83.8	-41.7	-174.2	-69.4	176.3	0.1	0	0	113.7	Q150 R151	Q150-Q154 WeakPolarHBondContact O-CB 3.24Å; Q150-Q154 VanDerWaalsContact O-CG 3.28Å; Q150-Q154 WeakPolarHBondContact O-CG 3.26Å; Q150-Q154 PolarHBondContact O-N 3.28Å; R151-Q154 PolarHBondContact O-N 2.91Å
155	A	72	Confident	83.9	Confident	73 Å²	73	68.7 Å²	68.7	60%	0.603	36%	0.361	S	S	*	.	H	α-helix	trans	-111.9	-0.3	-171	0	0	0	0	0	113.2	R151 K157	R151-A155 WeakPolarHBondContact O-CB 3.11Å; R151-A155 PolarHBondContact O-N 3.27Å; A155-K157 PolarHBondContact O-N 3.32Å; A155-K157 VanDerWaalsContact O-N 3.08Å
156	G	74.1	Confident	84	Confident	51 Å²	51	68.4 Å²	68.4	53%	0.526	36%	0.356	S	S	.	.	S	Bend	trans	66	4.9	-175.7	0	0	0	0	0	114.4	Q152	Q152-G156 PolarHBondContact NE2-O 3.45Å; Q152-G156 VanDerWaalsContact NE2-O 3.12Å; Q152-G156 WeakPolarHBondContact O-CA 3.43Å; Q152-G156 PolarHBondContact O-N 3.32Å; Q152-G156 VanDerWaalsContact O-N 3.1Å
157	K	72.9	Confident	84.1	Confident	127 Å²	127	68.1 Å²	68.1	55%	0.552	36%	0.359	S	S	*	.			trans	-136.4	132.8	-173.1	-66.7	180	-175.3	175.9	0	110	R151 A155 I306	R151-K157 CarbonylContact C-O 3.51Å; A155-K157 PolarHBondContact O-N 3.32Å; A155-K157 VanDerWaalsContact O-N 3.08Å; K157-I306 HydrophobicContact CB-CD1 3.82Å; K157-I306 HydrophobicContact CD-CD1 4.29Å; K157-I306 HydrophobicContact CG-CD1 4.17Å
158	N	79.1	Confident	84.5	Confident	51 Å²	51	66.8 Å²	66.8	27%	0.273	35%	0.352	S	S	.	.			trans	-95.7	154.9	169.3	60.1	18	0	0	0	110.6	I306	N158-I306 WeakPolarHBondContact O-CD1 3.24Å; N158-I306 WeakPolarHBondContact O-CG1 3.45Å
159	L	77	Confident	85	Confident	45 Å²	45	66.3 Å²	66.3	24%	0.236	35%	0.35	C	S	.	.			trans	-74	-25.6	170.8	-68.2	173.9	0	0	0	110.7	E148 T161 P267 F268	E148-L159 WeakPolarHBondContact OE1-CB 3.49Å; E148-L159 PolarHBondContact OE1-N 3.05Å; E148-L159 PolarHBondContact OE2-N 3.36Å; L159-T161 HydrophobicContact CB-CG2 4.1Å; L159-P267 HydrophobicContact CD2-CB 3.97Å; L159-P267 HydrophobicContact CD2-CG 4.04Å; L159-P267 WeakPolarHBondContact CD2-O 3.4Å; L159-F268 HydrophobicContact CD2-CD1 3.73Å; L159-F268 HydrophobicContact CD2-CE1 3.85Å
160	G	79.4	Confident	85.5	Confident	30 Å²	30	62.1 Å²	62.1	31%	0.309	33%	0.33	S	S	.	.			trans	79.1	40.8	-172.4	0	0	0	0	0	111.6	E148	E148-G160 VanDerWaalsContact OE2-CA 3.25Å; E148-G160 WeakPolarHBondContact OE2-CA 3.44Å; E148-G160 PolarHBondContact OE2-N 3.16Å
161	T	80.5	Confident	86	Confident	45 Å²	45	62.4 Å²	62.4	28%	0.276	34%	0.339	S	S	.	.			trans	-63.3	157.4	179.1	81.1	0	0	0	0	110.4	D144 E148 L159 K163	D144-T161 VanDerWaalsContact OD1-CB 3.3Å; D144-T161 WeakPolarHBondContact OD1-CB 3.42Å; D144-T161 WeakPolarHBondContact OD1-CG2 3.38Å; D144-T161 PolarHBondContact OD1-OG1 3.45Å; E148-T161 HydrophobicContact CG-CG2 3.76Å; E148-T161 VanDerWaalsContact CG-OG1 3.31Å; E148-T161 WeakPolarHBondContact CG-OG1 3.42Å; E148-T161 PolarHBondContact OE2-N 3.31Å; L159-T161 HydrophobicContact CB-CG2 4.1Å; T161-K163 PolarHBondContact O-N 3.19Å; T161-K163 PolarHBondContact OG1-N 2.59Å
162	T	81.3	Confident	86.7	Confident	71 Å²	71	57.8 Å²	57.8	44%	0.436	32%	0.322	S	S	.	.			trans	-78.4	-0.2	177.9	61.3	0	0	0	0	113	N65 K164	N65-T162 HydrophobicContact CB-CG2 3.99Å; N65-T162 VanDerWaalsContact CB-OG1 3.28Å; N65-T162 WeakPolarHBondContact CB-OG1 3.44Å; T162-K164 PolarHBondContact O-N 3.28Å; T162-K164 WeakPolarHBondContact OG1-CG 3.41Å
163	K	90.9	Very high	87.5	Confident	112 Å²	112	57 Å²	57	49%	0.487	32%	0.317	S	S	.	.	S	Bend	trans	53	35.1	-175.3	-55.7	-179.9	-178.7	-178.8	0	112.6	D144 T161	D144-K163 WeakPolarHBondContact OD2-CA 3.26Å; D144-K163 PolarHBondContact OD2-N 2.99Å; T161-K163 PolarHBondContact O-N 3.19Å; T161-K163 PolarHBondContact OG1-N 2.59Å
164	K	94.4	Very high	88.3	Confident	82 Å²	82	53.3 Å²	53.3	36%	0.357	31%	0.314	S	S	.	.	S	Bend	trans	-101.7	6.5	179.4	-68.5	-60.8	-174.8	177.6	0	112.2	D144 T162 I166	D144-K164 PolarHBondContact OD2-N 3.03Å; D144-K164 VanDerWaalsContact OD2-N 3.11Å; T162-K164 PolarHBondContact O-N 3.28Å; T162-K164 WeakPolarHBondContact OG1-CG 3.41Å; K164-I166 VanDerWaalsContact C-N 3.28Å; K164-I166 HydrophobicContact CB-CD1 4.29Å; K164-I166 HydrophobicContact CB-CG1 4.09Å; K164-I166 PolarHBondContact O-N 2.81Å
165	G	96.6	Very high	89.5	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	30%	0.301	C	S	.	.	S	Bend	trans	77.9	13.9	176.9	0	0	0	0	0	113.8	H140 D144 V169	H140-G165 WeakPolarHBondContact O-CA 3.48Å; D144-G165 PolarHBondContact OD2-N 3.36Å; G165-V169 WeakPolarHBondContact O-CB 3.27Å; G165-V169 VanDerWaalsContact O-CG1 3.25Å; G165-V169 WeakPolarHBondContact O-CG1 3.45Å; G165-V169 PolarHBondContact O-N 3.22Å
166	I	96.4	Very high	90.7	Very high	6 Å²	6	55.5 Å²	55.5	3%	0.031	31%	0.313	C	S	.	.	H	α-helix	trans	-65.3	-51	-175.5	-54.9	-56.3	0	0	0	110.9	N65 V100 K164 V169 Y170	N65-I166 HydrophobicContact CB-CD1 4.26Å; N65-I166 HydrophobicContact CB-CG1 3.79Å; V100-I166 HydrophobicContact CG2-CD1 3.93Å; K164-I166 VanDerWaalsContact C-N 3.28Å; K164-I166 HydrophobicContact CB-CD1 4.29Å; K164-I166 HydrophobicContact CB-CG1 4.09Å; K164-I166 PolarHBondContact O-N 2.81Å; I166-V169 WeakPolarHBondContact O-CG1 3.31Å; I166-Y170 HydrophobicContact CG2-CD2 3.72Å; I166-Y170 HydrophobicContact CG2-CE2 3.72Å; I166-Y170 WeakPolarHBondContact O-CD2 3.2Å; I166-Y170 PolarHBondContact O-N 3.04Å; I166-Y170 VanDerWaalsContact O-N 3.16Å
167	G	96	Very high	91.8	Very high	15 Å²	15	54.8 Å²	54.8	16%	0.155	30%	0.299	C	S	.	.	H	α-helix	trans	-58.2	-55.4	176.9	0	0	0	0	0	112.4	V169 Y170 S171 S271	G167-V169 PolarHBondContact O-N 3.05Å; G167-Y170 PolarHBondContact O-N 3.27Å; G167-S171 PolarHBondContact O-N 3.29Å; G167-S171 PolarHBondContact O-OG 2.89Å; G167-S271 WeakPolarHBondContact CA-OG 3.09Å
168	P	98.1	Very high	93.1	Very high	0 Å²	0	49 Å²	49	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-55.3	-45.2	178.6	-32.1	39.4	0	0	0	114.6	H140 A143 D144 Y170 S171 S172 Y202	H140-P168 HydrophobicContact CB-CB 4.03Å; H140-P168 WeakPolarHBondContact O-CG 3.36Å; A143-P168 HydrophobicContact CB-CG 4.33Å; D144-P168 HydrophobicContact CB-CG 3.91Å; P168-Y170 PolarHBondContact O-N 3.08Å; P168-S171 WeakPolarHBondContact O-CB 3.07Å; P168-S171 PolarHBondContact O-N 2.81Å; P168-S172 PolarHBondContact O-N 3.46Å; P168-S172 PolarHBondContact O-OG 2.92Å; P168-Y202 HydrophobicContact CB-CE1 4.09Å; P168-Y202 PolarHBondContact O-OH 3.28Å
169	V	98.7	Very high	94	Very high	1 Å²	1	46.6 Å²	46.6	1%	0.006	26%	0.263	C	S	.	.	H	α-helix	trans	-65.9	-38.1	179.9	70.2	0	0	0	0	112.4	V100 H134 I135 V136 G165 I166 G167 S171 S172 K173	V100-V169 HydrophobicContact CB-CG1 3.66Å; V100-V169 HydrophobicContact CB-CG2 4.23Å; V100-V169 HydrophobicContact CG1-CB 4.48Å; V100-V169 HydrophobicContact CG1-CG1 3.61Å; V100-V169 HydrophobicContact CG1-CG2 4.01Å; V100-V169 HydrophobicContact CG2-CG1 3.71Å; H134-V169 HydrophobicContact CB-CG2 4.29Å; I135-V169 VanDerWaalsContact O-CG2 3.27Å; I135-V169 WeakPolarHBondContact O-CG2 3.37Å; V136-V169 HydrophobicContact CG2-CB 4.18Å; V136-V169 HydrophobicContact CG2-CG1 3.93Å; V136-V169 HydrophobicContact CG2-CG2 4.17Å; G165-V169 WeakPolarHBondContact O-CB 3.27Å; G165-V169 VanDerWaalsContact O-CG1 3.25Å; G165-V169 WeakPolarHBondContact O-CG1 3.45Å; G165-V169 PolarHBondContact O-N 3.22Å; I166-V169 WeakPolarHBondContact O-CG1 3.31Å; G167-V169 PolarHBondContact O-N 3.05Å; V169-S171 VanDerWaalsContact C-N 3.34Å; V169-S172 PolarHBondContact O-N 3.32Å; V169-K173 WeakPolarHBondContact O-CB 3.45Å; V169-K173 PolarHBondContact O-N 3.23Å
170	Y	98.5	Very high	95	Very high	24 Å²	24	48.5 Å²	48.5	9%	0.094	27%	0.267	C	S	.	.	H	α-helix	trans	-70	-33.4	176.7	-83	-70.9	0	0	0	111.3	G62 G98 V100 I166 G167 P168 K173 A174	G62-Y170 PolarHBondContact N-OH 3Å; G62-Y170 VanDerWaalsContact N-OH 3.13Å; G62-Y170 PolarHBondContact O-OH 3.49Å; G98-Y170 PolarHBondContact O-OH 2.95Å; V100-Y170 HydrophobicContact CB-CE2 4.45Å; V100-Y170 HydrophobicContact CG1-CD1 4.34Å; V100-Y170 HydrophobicContact CG1-CD2 4.27Å; V100-Y170 HydrophobicContact CG1-CE1 3.94Å; V100-Y170 HydrophobicContact CG1-CE2 3.86Å; V100-Y170 HydrophobicContact CG1-CG 4.48Å; V100-Y170 HydrophobicContact CG2-CD2 4.36Å; V100-Y170 HydrophobicContact CG2-CE2 3.66Å; I166-Y170 HydrophobicContact CG2-CD2 3.72Å; I166-Y170 HydrophobicContact CG2-CE2 3.72Å; I166-Y170 WeakPolarHBondContact O-CD2 3.2Å; I166-Y170 PolarHBondContact O-N 3.04Å; I166-Y170 VanDerWaalsContact O-N 3.16Å; G167-Y170 PolarHBondContact O-N 3.27Å; P168-Y170 PolarHBondContact O-N 3.08Å; Y170-K173 HydrophobicContact CD1-CD 4.05Å; Y170-K173 HydrophobicContact CE1-CD 4.31Å; Y170-K173 WeakPolarHBondContact O-CB 3.27Å; Y170-K173 PolarHBondContact O-N 2.64Å; Y170-A174 WeakPolarHBondContact O-CB 3.37Å; Y170-A174 PolarHBondContact O-N 2.8Å
171	S	98.4	Very high	96	Very high	73 Å²	73	47.1 Å²	47.1	51%	0.51	25%	0.252	S	S	.	.	H	α-helix	trans	-62.3	-45.2	169.3	-64.5	0	0	0	0	111.8	G167 P168 V169 K173 A174 A175	G167-S171 PolarHBondContact O-N 3.29Å; G167-S171 PolarHBondContact O-OG 2.89Å; P168-S171 WeakPolarHBondContact O-CB 3.07Å; P168-S171 PolarHBondContact O-N 2.81Å; V169-S171 VanDerWaalsContact C-N 3.34Å; S171-K173 VanDerWaalsContact C-N 3.3Å; S171-K173 PolarHBondContact O-N 3.46Å; S171-A174 PolarHBondContact O-N 3.4Å; S171-A175 VanDerWaalsContact O-CB 3.31Å; S171-A175 WeakPolarHBondContact O-CB 3.17Å; S171-A175 PolarHBondContact O-N 2.82Å
172	S	98.7	Very high	96.8	Very high	2 Å²	2	46.2 Å²	46.2	1%	0.014	25%	0.248	C	C	.	.	H	α-helix	trans	-61.6	-37.6	174.3	-59	0	0	0	0	112.1	H140 P168 V169 A175 R176 S177 G178 Y202	H140-S172 PolarHBondContact NE2-OG 3.43Å; P168-S172 PolarHBondContact O-N 3.46Å; P168-S172 PolarHBondContact O-OG 2.92Å; V169-S172 PolarHBondContact O-N 3.32Å; S172-A175 PolarHBondContact O-N 2.8Å; S172-R176 PolarHBondContact O-N 3.05Å; S172-R176 VanDerWaalsContact O-N 3.15Å; S172-S177 PolarHBondContact O-N 2.87Å; S172-S177 VanDerWaalsContact O-N 3.08Å; S172-S177 PolarHBondContact O-OG 2.98Å; S172-G178 PolarHBondContact O-N 3.33Å; S172-Y202 WeakPolarHBondContact OG-CE2 2.97Å; S172-Y202 PolarHBondContact OG-OH 3.03Å
173	K	98.7	Very high	97.7	Very high	65 Å²	65	44.1 Å²	44.1	28%	0.283	23%	0.234	S	C	.	.	H	α-helix	trans	-62.4	-50.1	173.5	173.7	173.5	-177.5	176.1	0	111.3	V169 Y170 S171 A175 R176	V169-K173 WeakPolarHBondContact O-CB 3.45Å; V169-K173 PolarHBondContact O-N 3.23Å; Y170-K173 HydrophobicContact CD1-CD 4.05Å; Y170-K173 HydrophobicContact CE1-CD 4.31Å; Y170-K173 WeakPolarHBondContact O-CB 3.27Å; Y170-K173 PolarHBondContact O-N 2.64Å; S171-K173 VanDerWaalsContact C-N 3.3Å; S171-K173 PolarHBondContact O-N 3.46Å; K173-A175 VanDerWaalsContact C-N 3.31Å; K173-A175 PolarHBondContact O-N 3.41Å; K173-R176 PolarHBondContact O-N 3Å
174	A	98.4	Very high	98	Very high	81 Å²	81	38.8 Å²	38.8	67%	0.669	21%	0.211	S	C	*	.	H	α-helix	trans	-62.4	-38.2	177.6	0	0	0	0	0	112.2	Y170 S171 R176	Y170-A174 WeakPolarHBondContact O-CB 3.37Å; Y170-A174 PolarHBondContact O-N 2.8Å; S171-A174 PolarHBondContact O-N 3.4Å; A174-R176 PolarHBondContact O-N 2.95Å
175	A	98.4	Very high	98.2	Very high	62 Å²	62	36.3 Å²	36.3	51%	0.512	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-11	175.8	0	0	0	0	0	113.7	S171 S172 K173 S177	S171-A175 VanDerWaalsContact O-CB 3.31Å; S171-A175 WeakPolarHBondContact O-CB 3.17Å; S171-A175 PolarHBondContact O-N 2.82Å; S172-A175 PolarHBondContact O-N 2.8Å; K173-A175 VanDerWaalsContact C-N 3.31Å; K173-A175 PolarHBondContact O-N 3.41Å; A175-S177 PolarHBondContact O-N 3.27Å
176	R	98.4	Very high	98.1	Very high	222 Å²	222	40.1 Å²	40.1	84%	0.838	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.4	18.6	-173.3	-54.3	164.2	-71	174.4	-1.9	113.6	S172 K173 A174	S172-R176 PolarHBondContact O-N 3.05Å; S172-R176 VanDerWaalsContact O-N 3.15Å; K173-R176 PolarHBondContact O-N 3Å; A174-R176 PolarHBondContact O-N 2.95Å
177	S	98	Very high	98.1	Very high	36 Å²	36	44.4 Å²	44.4	25%	0.252	25%	0.252	S	S	.	.			trans	-94.4	-18.7	174.9	59.5	0	0	0	0	112.6	S172 A175	S172-S177 PolarHBondContact O-N 2.87Å; S172-S177 VanDerWaalsContact O-N 3.08Å; S172-S177 PolarHBondContact O-OG 2.98Å; A175-S177 PolarHBondContact O-N 3.27Å
178	G	98.4	Very high	98.2	Very high	5 Å²	5	45.2 Å²	45.2	5%	0.052	25%	0.251	C	S	.	.			trans	-63.1	156.9	178.3	0	0	0	0	0	113.9	S172 R194	S172-G178 PolarHBondContact O-N 3.33Å; G178-R194 PolarHBondContact O-NH2 2.97Å
179	L	98.8	Very high	98.2	Very high	1 Å²	1	51.2 Å²	51.2	1%	0.005	28%	0.283	C	S	.	.			trans	-107.7	151.5	177.6	-72.5	159.9	0	0	0	110.9	H134 I135 F137 D183 F191 R194 F195	H134-L179 WeakPolarHBondContact CA-O 3.3Å; H134-L179 PolarHBondContact ND1-O 2.86Å; I135-L179 PolarHBondContact N-O 3.42Å; F137-L179 HydrophobicContact CE2-CB 3.96Å; F137-L179 HydrophobicContact CE2-CD1 3.84Å; F137-L179 HydrophobicContact CE2-CG 4.41Å; F137-L179 HydrophobicContact CZ-CB 3.83Å; F137-L179 HydrophobicContact CZ-CD1 3.71Å; F137-L179 HydrophobicContact CZ-CG 4.4Å; L179-D183 HydrophobicContact CD2-CB 3.87Å; L179-F191 HydrophobicContact CB-CE2 4.1Å; L179-F191 HydrophobicContact CD1-CD2 4.25Å; L179-F191 HydrophobicContact CD1-CE2 3.88Å; L179-F191 HydrophobicContact CD1-CZ 4.34Å; L179-F191 HydrophobicContact CD2-CD2 4.1Å; L179-F191 HydrophobicContact CD2-CE2 4.32Å; L179-F191 HydrophobicContact CG-CE2 4.33Å; L179-R194 HydrophobicContact CD1-CB 4.32Å; L179-R194 HydrophobicContact CD2-CB 3.78Å; L179-R194 HydrophobicContact CG-CB 4.46Å; L179-F195 HydrophobicContact CD1-CB 3.97Å
180	R	98.9	Very high	98.2	Very high	86 Å²	86	52.3 Å²	52.3	33%	0.325	30%	0.295	S	S	.	.	B	Isolated β-bridge	trans	-121.8	168.2	-175.9	-60	-176.3	-58.1	171.5	4.7	111.9	R132 A133 I135 C182 D183 L184	R132-R180 WeakPolarHBondContact O-CD 3.42Å; A133-R180 CarbonylContact O-C 3.56Å; A133-R180 WeakPolarHBondContact O-CA 3.28Å; A133-R180 WeakPolarHBondContact O-CB 3.24Å; I135-R180 WeakPolarHBondContact CD1-O 3.35Å; R180-C182 PolarHBondContact NH2-SG 3.34Å; R180-C182 VanDerWaalsContact NH2-SG 3.44Å; R180-C182 PolarHBondContact O-N 3.33Å; R180-D183 PolarHBondContact N-OD2 2.84Å; R180-D183 WeakPolarHBondContact O-CB 3.31Å; R180-D183 PolarHBondContact O-N 2.9Å; R180-L184 PolarHBondContact O-N 3.01Å
181	M	98.9	Very high	98.2	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-56.5	-38.5	177.2	-66.2	-54.2	-59	0	0	112.5	I101 L103 I129 D131 A133 I135 D183 L184 V185 I227 V231	I101-M181 HydrophobicContact CD1-CG 4.24Å; I101-M181 HydrophobicContact CD1-SD 4.38Å; L103-M181 HydrophobicContact CD2-CE 4.08Å; L103-M181 HydrophobicContact CD2-SD 4.33Å; I129-M181 HydrophobicContact CG2-CG 4.01Å; D131-M181 CarbonylContact O-C 3.38Å; D131-M181 PolarHBondContact O-N 3.5Å; A133-M181 HydrophobicContact CB-CG 4.1Å; A133-M181 PolarHBondContact O-N 2.86Å; I135-M181 HydrophobicContact CD1-SD 4.22Å; I135-M181 HydrophobicContact CG1-SD 3.82Å; M181-D183 VanDerWaalsContact C-N 3.29Å; M181-D183 PolarHBondContact O-N 3.21Å; M181-L184 HydrophobicContact CE-CD2 4.33Å; M181-L184 PolarHBondContact O-N 2.89Å; M181-V185 WeakPolarHBondContact O-CG2 3.27Å; M181-V185 PolarHBondContact O-N 3.28Å; M181-V185 VanDerWaalsContact O-N 3.1Å; M181-I227 HydrophobicContact CE-CB 4.4Å; M181-I227 HydrophobicContact CE-CG1 3.7Å; M181-I227 HydrophobicContact CE-CG2 3.76Å; M181-V231 HydrophobicContact CB-CG1 4.32Å; M181-V231 HydrophobicContact CE-CG2 3.74Å
182	C	98.7	Very high	98.2	Very high	27 Å²	27	48.5 Å²	48.5	18%	0.182	27%	0.271	C	S	.	.	H	α-helix	trans	-61.4	-37.2	176.2	64.9	0	0	0	0	112.3	D131 R180 S186	D131-C182 HydrophobicContact CB-CB 3.94Å; D131-C182 VanDerWaalsContact O-CB 3.27Å; D131-C182 WeakPolarHBondContact O-CB 3.32Å; D131-C182 PolarHBondContact O-N 3Å; R180-C182 PolarHBondContact NH2-SG 3.34Å; R180-C182 VanDerWaalsContact NH2-SG 3.44Å; R180-C182 PolarHBondContact O-N 3.33Å; C182-S186 VanDerWaalsContact O-CB 3.22Å; C182-S186 WeakPolarHBondContact O-CB 3.28Å; C182-S186 PolarHBondContact O-N 3.18Å; C182-S186 PolarHBondContact O-OG 2.85Å
183	D	98.7	Very high	98.2	Very high	26 Å²	26	54.9 Å²	54.9	14%	0.139	30%	0.301	C	S	.	.	H	α-helix	trans	-66.9	-45.6	178.6	-54.7	-47.5	0	0	0	109.1	L179 R180 M181 V185 S186 F191 R194	L179-D183 HydrophobicContact CD2-CB 3.87Å; R180-D183 PolarHBondContact N-OD2 2.84Å; R180-D183 WeakPolarHBondContact O-CB 3.31Å; R180-D183 PolarHBondContact O-N 2.9Å; M181-D183 VanDerWaalsContact C-N 3.29Å; M181-D183 PolarHBondContact O-N 3.21Å; D183-V185 PolarHBondContact O-N 3.08Å; D183-S186 PolarHBondContact O-N 2.79Å; D183-S186 PolarHBondContact O-OG 2.76Å; D183-F191 HydrophobicContact CB-CD2 4.03Å; D183-R194 VanDerWaalsContact CG-NH1 3.33Å; D183-R194 IonicContact OD1-NH1 2.76Å; D183-R194 PolarHBondContact OD1-NH1 3.43Å; D183-R194 VanDerWaalsContact OD1-NH1 3.13Å; D183-R194 IonicContact OD2-NH1 3.23Å; D183-R194 PolarHBondContact OD2-NH1 2.79Å
184	L	98.5	Very high	98.2	Very high	1 Å²	1	56.5 Å²	56.5	1%	0.005	31%	0.305	C	S	.	.	H	α-helix	trans	-62.3	-42.5	-179.1	179.3	67.2	0	0	0	113.7	L103 I135 R180 M181 S186 F188 F191 L220 M224 I227	L103-L184 HydrophobicContact CD1-CD2 3.46Å; L103-L184 VanDerWaalsContact CD1-CD2 3.46Å; I135-L184 HydrophobicContact CD1-CB 3.81Å; I135-L184 HydrophobicContact CD1-CD2 4.06Å; I135-L184 HydrophobicContact CD1-CG 4.48Å; R180-L184 PolarHBondContact O-N 3.01Å; M181-L184 HydrophobicContact CE-CD2 4.33Å; M181-L184 PolarHBondContact O-N 2.89Å; L184-S186 VanDerWaalsContact C-N 3.29Å; L184-S186 PolarHBondContact O-N 3.29Å; L184-F188 HydrophobicContact CD1-CE2 4.11Å; L184-F191 HydrophobicContact CB-CD2 4.15Å; L184-F191 HydrophobicContact CB-CE2 3.94Å; L184-F191 HydrophobicContact CB-CZ 4.45Å; L184-F191 HydrophobicContact CD1-CD1 4.12Å; L184-F191 HydrophobicContact CD1-CD2 4.37Å; L184-F191 HydrophobicContact CD1-CE1 3.72Å; L184-F191 HydrophobicContact CD1-CE2 3.98Å; L184-F191 HydrophobicContact CD1-CG 4.43Å; L184-F191 HydrophobicContact CD1-CZ 3.66Å; L184-L220 HydrophobicContact CD1-CB 4.45Å; L184-M224 HydrophobicContact CD1-CB 4.04Å; L184-M224 HydrophobicContact CD1-CG 4.24Å; L184-M224 HydrophobicContact CD2-CB 4.36Å; L184-M224 HydrophobicContact CG-CB 4.01Å; L184-M224 HydrophobicContact CG-CG 3.94Å; L184-M224 WeakPolarHBondContact O-CG 3.3Å; L184-I227 HydrophobicContact CD2-CG2 4.42Å
185	V	97.8	Very high	98.2	Very high	29 Å²	29	52.7 Å²	52.7	18%	0.176	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87	2.6	-174.9	-57.9	0	0	0	0	114	M181 D183 I227 K228 V231	M181-V185 WeakPolarHBondContact O-CG2 3.27Å; M181-V185 PolarHBondContact O-N 3.28Å; M181-V185 VanDerWaalsContact O-N 3.1Å; D183-V185 PolarHBondContact O-N 3.08Å; V185-I227 HydrophobicContact CG1-CG2 4.25Å; V185-K228 HydrophobicContact CB-CG 4.35Å; V185-K228 HydrophobicContact CG1-CB 4.5Å; V185-K228 HydrophobicContact CG1-CG 4.44Å; V185-V231 HydrophobicContact CG1-CB 4.33Å; V185-V231 HydrophobicContact CG1-CG1 4.47Å; V185-V231 HydrophobicContact CG1-CG2 4.1Å; V185-V231 HydrophobicContact CG2-CG1 4.1Å
186	S	95.2	Very high	98.2	Very high	80 Å²	80	53 Å²	53	56%	0.559	26%	0.263	S	S	*	.	S	Bend	trans	-96.5	-123.5	-178.3	69.7	0	0	0	0	112.1	C182 D183 L184	C182-S186 VanDerWaalsContact O-CB 3.22Å; C182-S186 WeakPolarHBondContact O-CB 3.28Å; C182-S186 PolarHBondContact O-N 3.18Å; C182-S186 PolarHBondContact O-OG 2.85Å; D183-S186 PolarHBondContact O-N 2.79Å; D183-S186 PolarHBondContact O-OG 2.76Å; L184-S186 VanDerWaalsContact C-N 3.29Å; L184-S186 PolarHBondContact O-N 3.29Å
187	D	96.9	Very high	98.2	Very high	97 Å²	97	46 Å²	46	52%	0.519	25%	0.246	S	C	.	.			trans	-82.2	112.9	172.5	175.1	24.9	0	0	0	110.4	D189 G190 F191	D187-D189 VanDerWaalsContact C-N 3.28Å; D187-D189 PolarHBondContact O-N 3.23Å; D187-D189 PolarHBondContact OD1-N 2.78Å; D187-D189 VanDerWaalsContact OD1-N 3.15Å; D187-G190 PolarHBondContact O-N 2.92Å; D187-G190 PolarHBondContact OD2-N 3.06Å; D187-F191 PolarHBondContact O-N 3.36Å
188	F	97.6	Very high	98.3	Very high	32 Å²	32	44.4 Å²	44.4	14%	0.14	23%	0.234	C	C	.	.	H	α-helix	trans	-69.7	-26.5	-176	-163.7	-97.1	0	0	0	112.5	L184 F191 S192 L217 K221 M224	L184-F188 HydrophobicContact CD1-CE2 4.11Å; F188-F191 HydrophobicContact CD2-CD1 4.3Å; F188-F191 HydrophobicContact CE2-CD1 4.02Å; F188-F191 HydrophobicContact CE2-CE1 4.38Å; F188-F191 HydrophobicContact CZ-CD1 4.44Å; F188-F191 PolarHBondContact O-N 2.85Å; F188-S192 WeakPolarHBondContact CD1-OG 3.38Å; F188-S192 WeakPolarHBondContact CE1-OG 3.4Å; F188-S192 VanDerWaalsContact O-CB 3.29Å; F188-S192 WeakPolarHBondContact O-CB 3.41Å; F188-S192 PolarHBondContact O-N 3.1Å; F188-S192 PolarHBondContact O-OG 3.34Å; F188-L217 HydrophobicContact CE1-CG 4.19Å; F188-L217 HydrophobicContact CZ-CD1 4.27Å; F188-L217 HydrophobicContact CZ-CG 4.13Å; F188-K221 HydrophobicContact CD1-CD 4.44Å; F188-K221 HydrophobicContact CE1-CB 4.15Å; F188-K221 HydrophobicContact CE1-CD 4.07Å; F188-K221 HydrophobicContact CE1-CG 4.24Å; F188-K221 HydrophobicContact CE2-CB 4.01Å; F188-K221 HydrophobicContact CE2-CG 4.29Å; F188-K221 HydrophobicContact CZ-CB 3.6Å; F188-K221 HydrophobicContact CZ-CD 4.35Å; F188-K221 HydrophobicContact CZ-CG 4.04Å; F188-M224 HydrophobicContact CD2-CE 4.4Å
189	D	97.9	Very high	98.3	Very high	125 Å²	125	44.2 Å²	44.2	67%	0.668	23%	0.232	S	C	*	.	H	α-helix	trans	-70.7	-47.4	178.2	-69.7	-21.5	0	0	0	110.2	D187 F191 S192 E193	D187-D189 VanDerWaalsContact C-N 3.28Å; D187-D189 PolarHBondContact O-N 3.23Å; D187-D189 PolarHBondContact OD1-N 2.78Å; D187-D189 VanDerWaalsContact OD1-N 3.15Å; D189-F191 VanDerWaalsContact C-N 3.33Å; D189-F191 PolarHBondContact O-N 2.92Å; D189-S192 WeakPolarHBondContact O-CB 3.42Å; D189-S192 PolarHBondContact O-N 3.17Å; D189-S192 VanDerWaalsContact O-N 3.12Å; D189-E193 PolarHBondContact O-N 2.72Å
190	G	98.3	Very high	98.2	Very high	25 Å²	25	48.2 Å²	48.2	26%	0.258	25%	0.253	S	S	.	.	H	α-helix	trans	-60.9	-38	172.2	0	0	0	0	0	113.5	D187 R194	D187-G190 PolarHBondContact O-N 2.92Å; D187-G190 PolarHBondContact OD2-N 3.06Å; G190-R194 PolarHBondContact O-N 3Å
191	F	98.6	Very high	98.2	Very high	4 Å²	4	48.2 Å²	48.2	2%	0.018	26%	0.257	C	S	.	.	H	α-helix	trans	-60.6	-46.1	171.3	174.6	-94.3	0	0	0	111.6	I135 F137 L179 D183 L184 D187 F188 D189 E193 R194 F195 L217 L220	I135-F191 HydrophobicContact CD1-CE2 4.07Å; I135-F191 HydrophobicContact CD1-CZ 4.48Å; F137-F191 AromaticContact CE1-CZ 3.98Å; F137-F191 HydrophobicContact CE1-CZ 3.98Å; F137-F191 HydrophobicContact CZ-CE2 4.24Å; F137-F191 AromaticContact CZ-CZ 3.96Å; F137-F191 HydrophobicContact CZ-CZ 3.96Å; L179-F191 HydrophobicContact CB-CE2 4.1Å; L179-F191 HydrophobicContact CD1-CD2 4.25Å; L179-F191 HydrophobicContact CD1-CE2 3.88Å; L179-F191 HydrophobicContact CD1-CZ 4.34Å; L179-F191 HydrophobicContact CD2-CD2 4.1Å; L179-F191 HydrophobicContact CD2-CE2 4.32Å; L179-F191 HydrophobicContact CG-CE2 4.33Å; D183-F191 HydrophobicContact CB-CD2 4.03Å; L184-F191 HydrophobicContact CB-CD2 4.15Å; L184-F191 HydrophobicContact CB-CE2 3.94Å; L184-F191 HydrophobicContact CB-CZ 4.45Å; L184-F191 HydrophobicContact CD1-CD1 4.12Å; L184-F191 HydrophobicContact CD1-CD2 4.37Å; L184-F191 HydrophobicContact CD1-CE1 3.72Å; L184-F191 HydrophobicContact CD1-CE2 3.98Å; L184-F191 HydrophobicContact CD1-CG 4.43Å; L184-F191 HydrophobicContact CD1-CZ 3.66Å; D187-F191 PolarHBondContact O-N 3.36Å; F188-F191 HydrophobicContact CD2-CD1 4.3Å; F188-F191 HydrophobicContact CE2-CD1 4.02Å; F188-F191 HydrophobicContact CE2-CE1 4.38Å; F188-F191 HydrophobicContact CZ-CD1 4.44Å; F188-F191 PolarHBondContact O-N 2.85Å; D189-F191 VanDerWaalsContact C-N 3.33Å; D189-F191 PolarHBondContact O-N 2.92Å; F191-E193 PolarHBondContact O-N 3.41Å; F191-R194 PolarHBondContact O-N 3.12Å; F191-F195 HydrophobicContact CE1-CB 4.4Å; F191-F195 WeakPolarHBondContact O-CB 3.36Å; F191-F195 PolarHBondContact O-N 3.5Å; F191-L217 HydrophobicContact CD1-CD1 4.15Å; F191-L217 HydrophobicContact CE1-CD1 3.94Å; F191-L220 HydrophobicContact CE1-CD1 4.09Å; F191-L220 HydrophobicContact CZ-CD1 4.14Å
192	S	98.6	Very high	98.1	Very high	12 Å²	12	49.1 Å²	49.1	8%	0.084	26%	0.26	C	S	.	.	H	α-helix	trans	-63.6	-41.8	-177.8	-61.8	0	0	0	0	112.4	F188 D189 F195 K196 L217	F188-S192 WeakPolarHBondContact CD1-OG 3.38Å; F188-S192 WeakPolarHBondContact CE1-OG 3.4Å; F188-S192 VanDerWaalsContact O-CB 3.29Å; F188-S192 WeakPolarHBondContact O-CB 3.41Å; F188-S192 PolarHBondContact O-N 3.1Å; F188-S192 PolarHBondContact O-OG 3.34Å; D189-S192 WeakPolarHBondContact O-CB 3.42Å; D189-S192 PolarHBondContact O-N 3.17Å; D189-S192 VanDerWaalsContact O-N 3.12Å; S192-F195 PolarHBondContact O-N 2.78Å; S192-K196 VanDerWaalsContact O-CG 3.24Å; S192-K196 WeakPolarHBondContact O-CG 3.49Å; S192-K196 PolarHBondContact O-N 2.79Å; S192-L217 WeakPolarHBondContact OG-CD2 3.31Å
193	E	98.5	Very high	98	Very high	137 Å²	137	52.8 Å²	52.8	64%	0.64	27%	0.273	S	S	*	.	H	α-helix	trans	-58.9	-51.4	174.9	-176.5	179.7	-162.4	0	0	111	D189 F191 F195 K196 V197	D189-E193 PolarHBondContact O-N 2.72Å; F191-E193 PolarHBondContact O-N 3.41Å; E193-F195 VanDerWaalsContact C-N 3.34Å; E193-F195 PolarHBondContact O-N 3.01Å; E193-K196 PolarHBondContact O-N 2.97Å; E193-V197 WeakPolarHBondContact O-CG2 3.36Å; E193-V197 PolarHBondContact O-N 3.32Å
194	R	98.6	Very high	97.9	Very high	99 Å²	99	55.9 Å²	55.9	37%	0.374	30%	0.297	S	S	.	.	H	α-helix	trans	-64.9	-36.7	179.6	-69.7	-179	65	-156.4	-6.7	112.6	G178 L179 D183 G190 F191 V197 L198	G178-R194 PolarHBondContact O-NH2 2.97Å; L179-R194 HydrophobicContact CD1-CB 4.32Å; L179-R194 HydrophobicContact CD2-CB 3.78Å; L179-R194 HydrophobicContact CG-CB 4.46Å; D183-R194 VanDerWaalsContact CG-NH1 3.33Å; D183-R194 IonicContact OD1-NH1 2.76Å; D183-R194 PolarHBondContact OD1-NH1 3.43Å; D183-R194 VanDerWaalsContact OD1-NH1 3.13Å; D183-R194 IonicContact OD2-NH1 3.23Å; D183-R194 PolarHBondContact OD2-NH1 2.79Å; G190-R194 PolarHBondContact O-N 3Å; F191-R194 PolarHBondContact O-N 3.12Å; R194-V197 PolarHBondContact O-N 2.87Å; R194-L198 PolarHBondContact O-N 3.37Å
195	F	98.8	Very high	97.7	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-60.9	-47.9	175	175.1	-89.9	0	0	0	110.9	F137 F139 L179 F191 S192 E193 V197 L198 A199 I213 E216 L217 L220	F137-F195 HydrophobicContact CB-CE2 4.43Å; F137-F195 AromaticContact CD1-CD2 3.97Å; F137-F195 HydrophobicContact CD1-CD2 3.97Å; F137-F195 AromaticContact CD1-CE2 3.57Å; F137-F195 HydrophobicContact CD1-CE2 3.57Å; F137-F195 HydrophobicContact CD2-CD2 4.38Å; F137-F195 HydrophobicContact CD2-CE2 4.34Å; F137-F195 AromaticContact CE1-CD2 3.71Å; F137-F195 HydrophobicContact CE1-CD2 3.71Å; F137-F195 AromaticContact CE1-CE2 3.79Å; F137-F195 HydrophobicContact CE1-CE2 3.79Å; F137-F195 HydrophobicContact CE2-CD2 4.14Å; F137-F195 HydrophobicContact CG-CD2 4.3Å; F137-F195 AromaticContact CG-CE2 3.86Å; F137-F195 HydrophobicContact CG-CE2 3.86Å; F137-F195 AromaticContact CZ-CD2 3.8Å; F137-F195 HydrophobicContact CZ-CD2 3.8Å; F137-F195 HydrophobicContact CZ-CE2 4.27Å; F139-F195 HydrophobicContact CD1-CE2 4.41Å; F139-F195 HydrophobicContact CD1-CZ 4.35Å; F139-F195 HydrophobicContact CE1-CD2 4.27Å; F139-F195 AromaticContact CE1-CE2 3.62Å; F139-F195 HydrophobicContact CE1-CE2 3.62Å; F139-F195 AromaticContact CE1-CZ 3.9Å; F139-F195 HydrophobicContact CE1-CZ 3.9Å; L179-F195 HydrophobicContact CD1-CB 3.97Å; F191-F195 HydrophobicContact CE1-CB 4.4Å; F191-F195 WeakPolarHBondContact O-CB 3.36Å; F191-F195 PolarHBondContact O-N 3.5Å; S192-F195 PolarHBondContact O-N 2.78Å; E193-F195 VanDerWaalsContact C-N 3.34Å; E193-F195 PolarHBondContact O-N 3.01Å; F195-V197 VanDerWaalsContact C-N 3.33Å; F195-V197 PolarHBondContact O-N 3.1Å; F195-L198 PolarHBondContact O-N 2.81Å; F195-A199 HydrophobicContact CE1-CB 4.45Å; F195-A199 WeakPolarHBondContact O-CB 3.26Å; F195-A199 PolarHBondContact O-N 3.43Å; F195-I213 HydrophobicContact CD1-CG2 4.27Å; F195-I213 HydrophobicContact CE1-CB 4.49Å; F195-I213 HydrophobicContact CE1-CG2 3.96Å; F195-E216 HydrophobicContact CE2-CG 4.28Å; F195-E216 HydrophobicContact CZ-CB 3.99Å; F195-E216 HydrophobicContact CZ-CG 3.87Å; F195-L217 HydrophobicContact CB-CD1 4.08Å; F195-L217 HydrophobicContact CD1-CD1 3.74Å; F195-L217 HydrophobicContact CE1-CB 4.44Å; F195-L217 HydrophobicContact CE1-CD1 4.35Å; F195-L217 HydrophobicContact CG-CD1 3.89Å; F195-L220 HydrophobicContact CD2-CD1 4.07Å; F195-L220 HydrophobicContact CE2-CD1 3.76Å; F195-L220 HydrophobicContact CZ-CD1 4.38Å
196	K	98.7	Very high	97.6	Very high	68 Å²	68	60.8 Å²	60.8	30%	0.296	32%	0.319	S	S	.	.	H	α-helix	trans	-60.4	-42	177.8	-70.6	176.5	-167.9	-156.5	0	111.5	S192 E193 N200 I213 E214	S192-K196 VanDerWaalsContact O-CG 3.24Å; S192-K196 WeakPolarHBondContact O-CG 3.49Å; S192-K196 PolarHBondContact O-N 2.79Å; E193-K196 PolarHBondContact O-N 2.97Å; K196-N200 VanDerWaalsContact O-CB 3.31Å; K196-N200 WeakPolarHBondContact O-CB 3.22Å; K196-N200 VanDerWaalsContact O-CG 3.28Å; K196-N200 PolarHBondContact O-N 2.82Å; K196-N200 PolarHBondContact O-ND2 2.66Å; K196-I213 HydrophobicContact CG-CG2 3.73Å; K196-E214 VanDerWaalsContact CE-OE1 3.24Å; K196-E214 WeakPolarHBondContact CE-OE1 3.12Å; K196-E214 IonicContact NZ-OE1 2.65Å; K196-E214 PolarHBondContact NZ-OE1 2.84Å; K196-E214 IonicContact NZ-OE2 3.31Å; K196-E214 PolarHBondContact NZ-OE2 2.94Å
197	V	98.6	Very high	97.4	Very high	77 Å²	77	62.5 Å²	62.5	47%	0.467	33%	0.328	S	S	.	.	H	α-helix	trans	-59.9	-50.4	175.4	172.2	0	0	0	0	111	E193 R194 F195 N200 Q201	E193-V197 WeakPolarHBondContact O-CG2 3.36Å; E193-V197 PolarHBondContact O-N 3.32Å; R194-V197 PolarHBondContact O-N 2.87Å; F195-V197 VanDerWaalsContact C-N 3.33Å; F195-V197 PolarHBondContact O-N 3.1Å; V197-N200 PolarHBondContact O-N 3.47Å; V197-Q201 WeakPolarHBondContact O-CG 3.3Å; V197-Q201 PolarHBondContact O-N 2.98Å
198	L	98.6	Very high	97.2	Very high	2 Å²	2	63 Å²	63	1%	0.01	34%	0.335	C	S	.	.	H	α-helix	trans	-63.5	-46.1	-179.1	-175.2	62.1	0	0	0	112	F137 F139 R194 F195 N200 Q201 Y202	F137-L198 HydrophobicContact CD2-CD2 4.19Å; F137-L198 HydrophobicContact CE2-CD2 4.06Å; F139-L198 HydrophobicContact CE2-CD2 4.21Å; F139-L198 HydrophobicContact CE2-CG 4.03Å; F139-L198 HydrophobicContact CZ-CB 4.44Å; F139-L198 HydrophobicContact CZ-CD2 3.89Å; F139-L198 HydrophobicContact CZ-CG 3.87Å; R194-L198 PolarHBondContact O-N 3.37Å; F195-L198 PolarHBondContact O-N 2.81Å; L198-N200 VanDerWaalsContact C-N 3.35Å; L198-N200 PolarHBondContact O-N 2.91Å; L198-Q201 WeakPolarHBondContact O-CB 3.39Å; L198-Q201 PolarHBondContact O-N 2.84Å; L198-Y202 HydrophobicContact CD1-CD2 4.05Å; L198-Y202 HydrophobicContact CD1-CE2 3.81Å; L198-Y202 HydrophobicContact CG-CD2 4.23Å; L198-Y202 HydrophobicContact CG-CE2 4.25Å; L198-Y202 WeakPolarHBondContact O-CD2 3.48Å; L198-Y202 PolarHBondContact O-N 3.45Å
199	A	98.3	Very high	97.1	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-60.1	-43.9	178	0	0	0	0	0	111.8	F139 F195 Q201 Y202 K203 I211 I213	F139-A199 HydrophobicContact CD1-CB 4.18Å; F139-A199 HydrophobicContact CE1-CB 3.94Å; F139-A199 HydrophobicContact CZ-CB 4.46Å; F195-A199 HydrophobicContact CE1-CB 4.45Å; F195-A199 WeakPolarHBondContact O-CB 3.26Å; F195-A199 PolarHBondContact O-N 3.43Å; A199-Q201 VanDerWaalsContact C-N 3.34Å; A199-Q201 PolarHBondContact O-N 2.88Å; A199-Y202 PolarHBondContact O-N 3.13Å; A199-K203 PolarHBondContact O-N 3.28Å; A199-I211 HydrophobicContact CB-CD1 4.4Å; A199-I211 HydrophobicContact CB-CG2 4.38Å; A199-I211 WeakPolarHBondContact O-CD1 3.47Å; A199-I213 HydrophobicContact CB-CD1 4.03Å; A199-I213 HydrophobicContact CB-CG1 3.95Å
200	N	97.8	Very high	96.9	Very high	85 Å²	85	64.7 Å²	64.7	46%	0.455	34%	0.339	S	S	.	.	H	α-helix	trans	-64.8	-36.3	176.8	-76.9	-45.8	0	0	0	112.6	K196 V197 L198 K203 S204	K196-N200 VanDerWaalsContact O-CB 3.31Å; K196-N200 WeakPolarHBondContact O-CB 3.22Å; K196-N200 VanDerWaalsContact O-CG 3.28Å; K196-N200 PolarHBondContact O-N 2.82Å; K196-N200 PolarHBondContact O-ND2 2.66Å; V197-N200 PolarHBondContact O-N 3.47Å; L198-N200 VanDerWaalsContact C-N 3.35Å; L198-N200 PolarHBondContact O-N 2.91Å; N200-K203 PolarHBondContact O-N 3.43Å; N200-S204 PolarHBondContact O-N 2.95Å
201	Q	97.8	Very high	96.7	Very high	86 Å²	86	64.7 Å²	64.7	40%	0.402	33%	0.333	S	S	.	.	H	α-helix	trans	-60.5	-48.2	172.4	-73.6	173.3	-6.9	0	0	111.2	V197 L198 A199 K203 S204 I205	V197-Q201 WeakPolarHBondContact O-CG 3.3Å; V197-Q201 PolarHBondContact O-N 2.98Å; L198-Q201 WeakPolarHBondContact O-CB 3.39Å; L198-Q201 PolarHBondContact O-N 2.84Å; A199-Q201 VanDerWaalsContact C-N 3.34Å; A199-Q201 PolarHBondContact O-N 2.88Å; Q201-K203 VanDerWaalsContact C-N 3.34Å; Q201-K203 PolarHBondContact O-N 3.08Å; Q201-S204 PolarHBondContact O-N 3.3Å; Q201-S204 VanDerWaalsContact O-N 3.13Å; Q201-S204 PolarHBondContact O-OG 2.89Å; Q201-I205 WeakPolarHBondContact O-CG1 3.23Å; Q201-I205 PolarHBondContact O-N 3.07Å
202	Y	97.8	Very high	96.6	Very high	19 Å²	19	69.8 Å²	69.8	8%	0.075	36%	0.361	C	S	.	.	H	α-helix	trans	-60.1	-42.2	176.4	-90.2	-91.5	0	0	0	112.5	F139 H140 A143 P168 S172 L198 A199 S204 I205 Y206	F139-Y202 HydrophobicContact CD2-CD1 4.24Å; F139-Y202 AromaticContact CD2-CD2 3.85Å; F139-Y202 HydrophobicContact CD2-CD2 3.85Å; F139-Y202 HydrophobicContact CD2-CE2 4.37Å; F139-Y202 AromaticContact CD2-CG 3.77Å; F139-Y202 HydrophobicContact CD2-CG 3.77Å; F139-Y202 AromaticContact CE2-CD2 3.61Å; F139-Y202 HydrophobicContact CE2-CD2 3.61Å; F139-Y202 AromaticContact CE2-CE2 3.95Å; F139-Y202 HydrophobicContact CE2-CE2 3.95Å; F139-Y202 HydrophobicContact CE2-CG 4.05Å; H140-Y202 AromaticContact CD2-CE1 3.94Å; H140-Y202 AromaticContact CD2-CE2 3.75Å; H140-Y202 AromaticContact CD2-CZ 3.41Å; H140-Y202 VanDerWaalsContact CD2-CZ 3.41Å; H140-Y202 PolarHBondContact CD2-OH 3.49Å; H140-Y202 AromaticContact NE2-CE2 3.61Å; H140-Y202 AromaticContact NE2-CZ 3.67Å; H140-Y202 PolarHBondContact NE2-OH 2.87Å; A143-Y202 HydrophobicContact CB-CD1 3.82Å; A143-Y202 HydrophobicContact CB-CE1 3.91Å; P168-Y202 HydrophobicContact CB-CE1 4.09Å; P168-Y202 PolarHBondContact O-OH 3.28Å; S172-Y202 WeakPolarHBondContact OG-CE2 2.97Å; S172-Y202 PolarHBondContact OG-OH 3.03Å; L198-Y202 HydrophobicContact CD1-CD2 4.05Å; L198-Y202 HydrophobicContact CD1-CE2 3.81Å; L198-Y202 HydrophobicContact CG-CD2 4.23Å; L198-Y202 HydrophobicContact CG-CE2 4.25Å; L198-Y202 WeakPolarHBondContact O-CD2 3.48Å; L198-Y202 PolarHBondContact O-N 3.45Å; A199-Y202 PolarHBondContact O-N 3.13Å; Y202-S204 VanDerWaalsContact C-N 3.3Å; Y202-S204 PolarHBondContact O-N 3.41Å; Y202-I205 PolarHBondContact O-N 3.15Å; Y202-Y206 HydrophobicContact CD1-CD2 4.14Å; Y202-Y206 HydrophobicContact CD1-CE2 4.07Å; Y202-Y206 HydrophobicContact CE1-CE2 4.35Å; Y202-Y206 WeakPolarHBondContact O-CD2 3.38Å; Y202-Y206 PolarHBondContact O-N 3.43Å
203	K	95.9	Very high	96.6	Very high	105 Å²	105	70.5 Å²	70.5	46%	0.457	36%	0.363	S	S	.	.	H	α-helix	trans	-61.6	-36.3	174.9	-166.6	175.9	-175.9	173.9	0	112.7	A199 N200 Q201 Y206 I211	A199-K203 PolarHBondContact O-N 3.28Å; N200-K203 PolarHBondContact O-N 3.43Å; Q201-K203 VanDerWaalsContact C-N 3.34Å; Q201-K203 PolarHBondContact O-N 3.08Å; K203-Y206 CarbonylContact O-C 3.55Å; K203-Y206 VanDerWaalsContact O-C 3.31Å; K203-I211 HydrophobicContact CB-CD1 4.18Å
204	S	96.3	Very high	96.6	Very high	90 Å²	90	69.1 Å²	69.1	63%	0.629	36%	0.357	S	S	*	.	H	α-helix	trans	-70.4	-34.9	177.4	75.5	0	0	0	0	113.2	N200 Q201 Y202	N200-S204 PolarHBondContact O-N 2.95Å; Q201-S204 PolarHBondContact O-N 3.3Å; Q201-S204 VanDerWaalsContact O-N 3.13Å; Q201-S204 PolarHBondContact O-OG 2.89Å; Y202-S204 VanDerWaalsContact C-N 3.3Å; Y202-S204 PolarHBondContact O-N 3.41Å
205	I	95.4	Very high	96.5	Very high	104 Å²	104	65.3 Å²	65.3	53%	0.533	35%	0.348	S	S	.	.	H	α-helix	trans	-77.1	-36.4	178.8	-64.4	165	0	0	0	110.6	Q201 Y202 P207	Q201-I205 WeakPolarHBondContact O-CG1 3.23Å; Q201-I205 PolarHBondContact O-N 3.07Å; Y202-I205 PolarHBondContact O-N 3.15Å; I205-P207 WeakPolarHBondContact O-CD 3.12Å
206	Y	94.9	Very high	96.5	Very high	30 Å²	30	65.9 Å²	65.9	12%	0.118	35%	0.351	C	S	.	.			trans	-119.5	87.4	-178.8	-58.1	-68.6	0	0	0	110.3	A143 I146 Q147 Y202 K203 T208 L209	A143-Y206 HydrophobicContact CB-CD2 4.11Å; A143-Y206 HydrophobicContact CB-CE2 4.02Å; I146-Y206 HydrophobicContact CG2-CD1 3.82Å; I146-Y206 HydrophobicContact CG2-CE1 4.38Å; Q147-Y206 HydrophobicContact CG-CE1 4.08Å; Q147-Y206 WeakPolarHBondContact CG-OH 3.16Å; Q147-Y206 PolarHBondContact NE2-OH 2.81Å; Y202-Y206 HydrophobicContact CD1-CD2 4.14Å; Y202-Y206 HydrophobicContact CD1-CE2 4.07Å; Y202-Y206 HydrophobicContact CE1-CE2 4.35Å; Y202-Y206 WeakPolarHBondContact O-CD2 3.38Å; Y202-Y206 PolarHBondContact O-N 3.43Å; K203-Y206 CarbonylContact O-C 3.55Å; K203-Y206 VanDerWaalsContact O-C 3.31Å; Y206-T208 PolarHBondContact O-N 2.83Å; Y206-T208 VanDerWaalsContact O-N 3.09Å; Y206-L209 HydrophobicContact CD2-CD2 4.4Å; Y206-L209 WeakPolarHBondContact O-CB 3.34Å; Y206-L209 PolarHBondContact O-N 2.9Å
207	P	91.8	Very high	96.5	Very high	115 Å²	115	63.2 Å²	63.2	75%	0.747	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-23.9	-176.7	-26.6	35.4	0	0	0	114.7	I205 L209	I205-P207 WeakPolarHBondContact O-CD 3.12Å; P207-L209 VanDerWaalsContact C-N 3.3Å
208	T	93.2	Very high	96.5	Very high	109 Å²	109	65.8 Å²	65.8	67%	0.669	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-3.6	176.5	55.7	0	0	0	0	113.5	Y206 E210	Y206-T208 PolarHBondContact O-N 2.83Å; Y206-T208 VanDerWaalsContact O-N 3.09Å; T208-E210 PolarHBondContact O-N 3.31Å
209	L	94.2	Very high	96.4	Very high	6 Å²	6	71.4 Å²	71.4	3%	0.031	37%	0.371	C	S	.	.			trans	-81.8	112.5	-178.9	-177.1	64.6	0	0	0	110.3	F139 A142 A143 I146 Y206 P207 I211	F139-L209 HydrophobicContact CB-CD2 4.39Å; A142-L209 HydrophobicContact CB-CD1 3.35Å; A143-L209 HydrophobicContact CB-CD2 4.48Å; I146-L209 HydrophobicContact CD1-CB 3.86Å; I146-L209 HydrophobicContact CD1-CD1 3.79Å; I146-L209 HydrophobicContact CD1-CG 4.39Å; Y206-L209 HydrophobicContact CD2-CD2 4.4Å; Y206-L209 WeakPolarHBondContact O-CB 3.34Å; Y206-L209 PolarHBondContact O-N 2.9Å; P207-L209 VanDerWaalsContact C-N 3.3Å; L209-I211 HydrophobicContact CD2-CD1 3.75Å; L209-I211 HydrophobicContact CD2-CG1 4.05Å; L209-I211 HydrophobicContact CG-CD1 4.05Å; L209-I211 HydrophobicContact CG-CG1 3.78Å
210	E	93.9	Very high	96.4	Very high	185 Å²	185	71.7 Å²	71.7	86%	0.864	37%	0.373	S	S	*	.			trans	-84.1	128	170.2	-62.9	-170.8	169.5	0	0	110	T208	T208-E210 PolarHBondContact O-N 3.31Å
211	I	94.9	Very high	96.3	Very high	26 Å²	26	72.4 Å²	72.4	13%	0.133	37%	0.372	C	S	.	.			trans	-132.7	118.2	178.9	-49	177.6	0	0	0	108.5	F139 A199 K203 L209 I213	F139-I211 HydrophobicContact CB-CD1 3.64Å; F139-I211 HydrophobicContact CB-CG1 3.91Å; F139-I211 HydrophobicContact CB-CG2 4.23Å; F139-I211 HydrophobicContact CD1-CG2 4.27Å; F139-I211 HydrophobicContact CG-CD1 4.19Å; A199-I211 HydrophobicContact CB-CD1 4.4Å; A199-I211 HydrophobicContact CB-CG2 4.38Å; A199-I211 WeakPolarHBondContact O-CD1 3.47Å; K203-I211 HydrophobicContact CB-CD1 4.18Å; L209-I211 HydrophobicContact CD2-CD1 3.75Å; L209-I211 HydrophobicContact CD2-CG1 4.05Å; L209-I211 HydrophobicContact CG-CD1 4.05Å; L209-I211 HydrophobicContact CG-CG1 3.78Å; I211-I213 HydrophobicContact CB-CG1 4.38Å; I211-I213 HydrophobicContact CG2-CG1 3.81Å; I211-I213 PolarHBondContact O-N 3.04Å
212	D	96.8	Very high	96.3	Very high	111 Å²	111	70.2 Å²	70.2	59%	0.594	37%	0.373	S	S	*	.			trans	-86.4	84.4	167.2	178.4	13	0	0	0	109.6	G215 E216	D212-G215 PolarHBondContact OD1-N 2.81Å; D212-G215 WeakPolarHBondContact OD2-CA 3.45Å; D212-E216 WeakPolarHBondContact O-CB 3.17Å; D212-E216 PolarHBondContact O-N 2.87Å
213	I	97.4	Very high	96.3	Very high	27 Å²	27	71.7 Å²	71.7	14%	0.138	38%	0.378	C	S	.	.	H	α-helix	trans	-59.4	-50.1	-174	-69.3	176.4	0	0	0	111.5	F195 K196 A199 I211 L217	F195-I213 HydrophobicContact CD1-CG2 4.27Å; F195-I213 HydrophobicContact CE1-CB 4.49Å; F195-I213 HydrophobicContact CE1-CG2 3.96Å; K196-I213 HydrophobicContact CG-CG2 3.73Å; A199-I213 HydrophobicContact CB-CD1 4.03Å; A199-I213 HydrophobicContact CB-CG1 3.95Å; I211-I213 HydrophobicContact CB-CG1 4.38Å; I211-I213 HydrophobicContact CG2-CG1 3.81Å; I211-I213 PolarHBondContact O-N 3.04Å; I213-L217 VanDerWaalsContact O-CB 3.28Å; I213-L217 WeakPolarHBondContact O-CB 3.5Å; I213-L217 PolarHBondContact O-N 2.95Å
214	E	97.9	Very high	96.4	Very high	108 Å²	108	67.3 Å²	67.3	51%	0.505	36%	0.36	S	S	.	.	H	α-helix	trans	-72.5	-37.4	-175.9	-60.7	-59.3	147.9	0	0	111.3	K196 L217 Q218	K196-E214 VanDerWaalsContact CE-OE1 3.24Å; K196-E214 WeakPolarHBondContact CE-OE1 3.12Å; K196-E214 IonicContact NZ-OE1 2.65Å; K196-E214 PolarHBondContact NZ-OE1 2.84Å; K196-E214 IonicContact NZ-OE2 3.31Å; K196-E214 PolarHBondContact NZ-OE2 2.94Å; E214-L217 PolarHBondContact O-N 3.13Å; E214-Q218 WeakPolarHBondContact O-CB 3.4Å; E214-Q218 PolarHBondContact O-N 3.41Å
215	G	98.1	Very high	96.3	Very high	19 Å²	19	68.5 Å²	68.5	20%	0.196	36%	0.355	C	S	.	.	H	α-helix	trans	-65.5	-41.6	176.2	0	0	0	0	0	113.2	D212 Q218 K219	D212-G215 PolarHBondContact OD1-N 2.81Å; D212-G215 WeakPolarHBondContact OD2-CA 3.45Å; G215-Q218 PolarHBondContact O-N 3.25Å; G215-K219 WeakPolarHBondContact O-CG 3.34Å; G215-K219 PolarHBondContact O-N 3.44Å; G215-K219 VanDerWaalsContact O-N 3.13Å
216	E	98.3	Very high	96.4	Very high	11 Å²	11	68.7 Å²	68.7	5%	0.051	35%	0.349	C	S	.	.	H	α-helix	trans	-65.4	-44	174.5	-172.5	174.5	177.9	0	0	111.2	F137 D138 F195 D212 Q218 K219 L220	F137-E216 WeakPolarHBondContact CA-OE1 3.43Å; F137-E216 VanDerWaalsContact CB-OE1 3.27Å; F137-E216 WeakPolarHBondContact CB-OE1 3.5Å; D138-E216 PolarHBondContact N-OE1 3.47Å; F195-E216 HydrophobicContact CE2-CG 4.28Å; F195-E216 HydrophobicContact CZ-CB 3.99Å; F195-E216 HydrophobicContact CZ-CG 3.87Å; D212-E216 WeakPolarHBondContact O-CB 3.17Å; D212-E216 PolarHBondContact O-N 2.87Å; E216-Q218 VanDerWaalsContact C-N 3.31Å; E216-Q218 PolarHBondContact O-N 3.16Å; E216-K219 WeakPolarHBondContact O-CB 3.47Å; E216-K219 PolarHBondContact O-N 2.89Å; E216-K219 VanDerWaalsContact O-N 3.15Å; E216-L220 HydrophobicContact CG-CD1 4.13Å; E216-L220 HydrophobicContact CG-CG 4.42Å; E216-L220 WeakPolarHBondContact O-CG 3.48Å; E216-L220 PolarHBondContact O-N 2.81Å
217	L	98.3	Very high	96.5	Very high	12 Å²	12	67.3 Å²	67.3	6%	0.063	34%	0.344	C	S	.	.	H	α-helix	trans	-61.2	-39.9	178	-162.9	74	0	0	0	112.1	F188 F191 S192 F195 I213 E214 L220 K221	F188-L217 HydrophobicContact CE1-CG 4.19Å; F188-L217 HydrophobicContact CZ-CD1 4.27Å; F188-L217 HydrophobicContact CZ-CG 4.13Å; F191-L217 HydrophobicContact CD1-CD1 4.15Å; F191-L217 HydrophobicContact CE1-CD1 3.94Å; S192-L217 WeakPolarHBondContact OG-CD2 3.31Å; F195-L217 HydrophobicContact CB-CD1 4.08Å; F195-L217 HydrophobicContact CD1-CD1 3.74Å; F195-L217 HydrophobicContact CE1-CB 4.44Å; F195-L217 HydrophobicContact CE1-CD1 4.35Å; F195-L217 HydrophobicContact CG-CD1 3.89Å; I213-L217 VanDerWaalsContact O-CB 3.28Å; I213-L217 WeakPolarHBondContact O-CB 3.5Å; I213-L217 PolarHBondContact O-N 2.95Å; E214-L217 PolarHBondContact O-N 3.13Å; L217-L220 PolarHBondContact O-N 3.16Å; L217-K221 PolarHBondContact O-N 2.95Å
218	Q	97.9	Very high	96.8	Very high	132 Å²	132	66.6 Å²	66.6	62%	0.617	33%	0.329	S	S	*	.	H	α-helix	trans	-64.2	-40.1	175.1	-175.6	59.4	46.7	0	0	112.1	E214 G215 E216 K221 G222	E214-Q218 WeakPolarHBondContact O-CB 3.4Å; E214-Q218 PolarHBondContact O-N 3.41Å; G215-Q218 PolarHBondContact O-N 3.25Å; E216-Q218 VanDerWaalsContact C-N 3.31Å; E216-Q218 PolarHBondContact O-N 3.16Å; Q218-K221 PolarHBondContact O-N 3.29Å; Q218-G222 PolarHBondContact O-N 3.02Å
219	K	97.5	Very high	97	Very high	119 Å²	119	66.3 Å²	66.3	52%	0.517	33%	0.329	S	S	.	.	H	α-helix	trans	-64.8	-44.3	173.6	-69.8	170.7	-173	170.7	0	111.3	G215 E216 K221 G222 Y223	G215-K219 WeakPolarHBondContact O-CG 3.34Å; G215-K219 PolarHBondContact O-N 3.44Å; G215-K219 VanDerWaalsContact O-N 3.13Å; E216-K219 WeakPolarHBondContact O-CB 3.47Å; E216-K219 PolarHBondContact O-N 2.89Å; E216-K219 VanDerWaalsContact O-N 3.15Å; K219-K221 VanDerWaalsContact C-N 3.27Å; K219-K221 PolarHBondContact O-N 2.92Å; K219-G222 WeakPolarHBondContact O-CA 3.29Å; K219-G222 PolarHBondContact O-N 3.41Å; K219-Y223 HydrophobicContact CB-CE2 4.26Å; K219-Y223 VanDerWaalsContact O-CD2 3.23Å; K219-Y223 WeakPolarHBondContact O-CD2 3.35Å; K219-Y223 PolarHBondContact O-N 2.87Å
220	L	98.1	Very high	97.3	Very high	6 Å²	6	66.3 Å²	66.3	3%	0.031	33%	0.329	C	S	.	.	H	α-helix	trans	-59.4	-37.5	177.8	-72.6	169.3	0	0	0	112	L103 F137 L184 F191 F195 E216 L217 G222 Y223 M224	L103-L220 HydrophobicContact CD1-CD2 3.72Å; F137-L220 HydrophobicContact CD1-CD1 3.95Å; F137-L220 HydrophobicContact CE1-CD1 3.7Å; F137-L220 HydrophobicContact CE1-CD2 4.34Å; L184-L220 HydrophobicContact CD1-CB 4.45Å; F191-L220 HydrophobicContact CE1-CD1 4.09Å; F191-L220 HydrophobicContact CZ-CD1 4.14Å; F195-L220 HydrophobicContact CD2-CD1 4.07Å; F195-L220 HydrophobicContact CE2-CD1 3.76Å; F195-L220 HydrophobicContact CZ-CD1 4.38Å; E216-L220 HydrophobicContact CG-CD1 4.13Å; E216-L220 HydrophobicContact CG-CG 4.42Å; E216-L220 WeakPolarHBondContact O-CG 3.48Å; E216-L220 PolarHBondContact O-N 2.81Å; L217-L220 PolarHBondContact O-N 3.16Å; L220-G222 VanDerWaalsContact C-N 3.32Å; L220-G222 PolarHBondContact O-N 2.87Å; L220-Y223 PolarHBondContact O-N 3.16Å; L220-M224 WeakPolarHBondContact O-CB 3.27Å; L220-M224 PolarHBondContact O-N 2.89Å
221	K	96.8	Very high	97.5	Very high	100 Å²	100	58.6 Å²	58.6	44%	0.435	29%	0.294	S	S	.	.	H	α-helix	trans	-59.6	-42	172.8	-166	170.7	-177.2	170.5	0	112.3	F188 L217 Q218 K219 M224	F188-K221 HydrophobicContact CD1-CD 4.44Å; F188-K221 HydrophobicContact CE1-CB 4.15Å; F188-K221 HydrophobicContact CE1-CD 4.07Å; F188-K221 HydrophobicContact CE1-CG 4.24Å; F188-K221 HydrophobicContact CE2-CB 4.01Å; F188-K221 HydrophobicContact CE2-CG 4.29Å; F188-K221 HydrophobicContact CZ-CB 3.6Å; F188-K221 HydrophobicContact CZ-CD 4.35Å; F188-K221 HydrophobicContact CZ-CG 4.04Å; L217-K221 PolarHBondContact O-N 2.95Å; Q218-K221 PolarHBondContact O-N 3.29Å; K219-K221 VanDerWaalsContact C-N 3.27Å; K219-K221 PolarHBondContact O-N 2.92Å; K221-M224 PolarHBondContact O-N 3.15Å
222	G	96.9	Very high	97.6	Very high	41 Å²	41	62.1 Å²	62.1	42%	0.423	31%	0.306	S	S	.	.	H	α-helix	trans	-64.7	-42	174.7	0	0	0	0	0	113	Q218 K219 L220	Q218-G222 PolarHBondContact O-N 3.02Å; K219-G222 WeakPolarHBondContact O-CA 3.29Å; K219-G222 PolarHBondContact O-N 3.41Å; L220-G222 VanDerWaalsContact C-N 3.32Å; L220-G222 PolarHBondContact O-N 2.87Å
223	Y	98	Very high	97.7	Very high	50 Å²	50	59.5 Å²	59.5	20%	0.196	29%	0.292	C	S	.	.	H	α-helix	trans	-68.2	-33.5	175.6	-69	-55.5	0	0	0	113.1	L103 P104 F107 K219 L220 E225 R226 I227	L103-Y223 HydrophobicContact CB-CD2 4.22Å; L103-Y223 HydrophobicContact CB-CG 4.22Å; P104-Y223 HydrophobicContact CB-CE2 4.19Å; P104-Y223 HydrophobicContact CG-CE2 3.73Å; F107-Y223 HydrophobicContact CB-CE1 4.12Å; F107-Y223 AromaticContact CD2-CD1 3.25Å; F107-Y223 HydrophobicContact CD2-CD1 3.25Å; F107-Y223 AromaticContact CD2-CE1 3.6Å; F107-Y223 HydrophobicContact CD2-CE1 3.6Å; F107-Y223 HydrophobicContact CD2-CG 4.22Å; F107-Y223 AromaticContact CE2-CD1 3.55Å; F107-Y223 HydrophobicContact CE2-CD1 3.55Å; F107-Y223 HydrophobicContact CE2-CE1 4.35Å; F107-Y223 HydrophobicContact CE2-CG 4.28Å; F107-Y223 HydrophobicContact CG-CD1 4.1Å; F107-Y223 HydrophobicContact CG-CE1 4.1Å; K219-Y223 HydrophobicContact CB-CE2 4.26Å; K219-Y223 VanDerWaalsContact O-CD2 3.23Å; K219-Y223 WeakPolarHBondContact O-CD2 3.35Å; K219-Y223 PolarHBondContact O-N 2.87Å; L220-Y223 PolarHBondContact O-N 3.16Å; Y223-E225 PolarHBondContact O-N 3.46Å; Y223-R226 PolarHBondContact O-N 3.21Å; Y223-I227 WeakPolarHBondContact O-CB 3.21Å; Y223-I227 WeakPolarHBondContact O-CG2 3.46Å; Y223-I227 PolarHBondContact O-N 3.26Å
224	M	97.3	Very high	97.8	Very high	12 Å²	12	58.2 Å²	58.2	6%	0.059	29%	0.286	C	S	.	.	H	α-helix	trans	-57.7	-48.3	179.5	-178.6	-85.8	-65.2	0	0	111.5	L184 F188 L220 K221 R226 I227 K228	L184-M224 HydrophobicContact CD1-CB 4.04Å; L184-M224 HydrophobicContact CD1-CG 4.24Å; L184-M224 HydrophobicContact CD2-CB 4.36Å; L184-M224 HydrophobicContact CG-CB 4.01Å; L184-M224 HydrophobicContact CG-CG 3.94Å; L184-M224 WeakPolarHBondContact O-CG 3.3Å; F188-M224 HydrophobicContact CD2-CE 4.4Å; L220-M224 WeakPolarHBondContact O-CB 3.27Å; L220-M224 PolarHBondContact O-N 2.89Å; K221-M224 PolarHBondContact O-N 3.15Å; M224-R226 VanDerWaalsContact C-N 3.29Å; M224-R226 PolarHBondContact O-N 3.02Å; M224-I227 WeakPolarHBondContact O-CG2 3.36Å; M224-I227 PolarHBondContact O-N 3.28Å; M224-K228 WeakPolarHBondContact O-CB 3.43Å; M224-K228 PolarHBondContact O-N 3.06Å; M224-K228 HydrophobicContact SD-CD 4.16Å
225	E	95	Very high	97.9	Very high	115 Å²	115	55.7 Å²	55.7	54%	0.537	28%	0.277	S	S	.	.	H	α-helix	trans	-62	-37.4	179	-64.6	-59.1	156.1	0	0	112.3	Y223	Y223-E225 PolarHBondContact O-N 3.46Å
226	R	97.1	Very high	97.9	Very high	109 Å²	109	61.7 Å²	61.7	41%	0.411	30%	0.295	S	S	.	.	H	α-helix	trans	-72	-37	177.9	-63.2	177.2	68	-173.5	2.5	112.5	F107 E111 Y223 M224 P229 M230	F107-R226 VanDerWaalsContact CD1-NH2 3.27Å; F107-R226 HydrophobicContact CE1-CB 3.94Å; F107-R226 HydrophobicContact CE2-CB 4.34Å; F107-R226 HydrophobicContact CZ-CB 3.52Å; E111-R226 IonicContact OE1-CZ 3.29Å; E111-R226 VanDerWaalsContact OE1-CZ 3.31Å; E111-R226 IonicContact OE1-NH1 3.45Å; E111-R226 PolarHBondContact OE1-NH1 3.44Å; E111-R226 IonicContact OE1-NH2 2.85Å; E111-R226 PolarHBondContact OE1-NH2 2.94Å; Y223-R226 PolarHBondContact O-N 3.21Å; M224-R226 VanDerWaalsContact C-N 3.29Å; M224-R226 PolarHBondContact O-N 3.02Å; R226-P229 WeakPolarHBondContact O-CD 3.24Å; R226-M230 VanDerWaalsContact O-CE 3.24Å; R226-M230 WeakPolarHBondContact O-CE 3.14Å
227	I	97.4	Very high	97.9	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-84.7	-27.2	-173.8	-152.7	62.2	0	0	0	112.8	L103 L106 F107 I129 M181 L184 V185 Y223 M224 P229 M230 V231	L103-I227 HydrophobicContact CD2-CG1 4.15Å; L106-I227 HydrophobicContact CD2-CD1 3.93Å; F107-I227 HydrophobicContact CE2-CD1 4.19Å; F107-I227 HydrophobicContact CZ-CB 4.39Å; F107-I227 HydrophobicContact CZ-CD1 3.95Å; I129-I227 HydrophobicContact CD1-CD1 3.28Å; I129-I227 HydrophobicContact CD1-CG1 3.77Å; M181-I227 HydrophobicContact CE-CB 4.4Å; M181-I227 HydrophobicContact CE-CG1 3.7Å; M181-I227 HydrophobicContact CE-CG2 3.76Å; L184-I227 HydrophobicContact CD2-CG2 4.42Å; V185-I227 HydrophobicContact CG1-CG2 4.25Å; Y223-I227 WeakPolarHBondContact O-CB 3.21Å; Y223-I227 WeakPolarHBondContact O-CG2 3.46Å; Y223-I227 PolarHBondContact O-N 3.26Å; M224-I227 WeakPolarHBondContact O-CG2 3.36Å; M224-I227 PolarHBondContact O-N 3.28Å; I227-P229 VanDerWaalsContact C-N 3.34Å; I227-M230 HydrophobicContact CD1-CE 3.63Å; I227-M230 HydrophobicContact CD1-SD 4.32Å; I227-M230 WeakPolarHBondContact O-CB 3.46Å; I227-M230 PolarHBondContact O-N 2.93Å; I227-V231 HydrophobicContact CG1-CG2 4.15Å; I227-V231 HydrophobicContact CG2-CG2 4.28Å; I227-V231 PolarHBondContact O-N 2.85Å
228	K	98	Very high	97.9	Very high	100 Å²	100	62.2 Å²	62.2	44%	0.435	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-49.4	-42.2	-174.6	-163	170.1	-166.7	166.8	0	114.5	V185 M224 M230 V231	V185-K228 HydrophobicContact CB-CG 4.35Å; V185-K228 HydrophobicContact CG1-CB 4.5Å; V185-K228 HydrophobicContact CG1-CG 4.44Å; M224-K228 WeakPolarHBondContact O-CB 3.43Å; M224-K228 PolarHBondContact O-N 3.06Å; M224-K228 HydrophobicContact SD-CD 4.16Å; K228-M230 PolarHBondContact O-N 3.19Å; K228-V231 PolarHBondContact O-N 3.39Å
229	P	98.3	Very high	98	Very high	104 Å²	104	61.9 Å²	61.9	68%	0.675	29%	0.291	S	S	*	.	G	3₁₀ helix	trans	-67	-22.3	178.5	-20.8	34.7	0	0	0	114.5	R226 I227	R226-P229 WeakPolarHBondContact O-CD 3.24Å; I227-P229 VanDerWaalsContact C-N 3.34Å
230	M	98.6	Very high	98	Very high	5 Å²	5	60.7 Å²	60.7	3%	0.025	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-90.9	-18.4	-178.5	-65.9	177.5	-92.3	0	0	112.6	F107 W123 E124 L127 I128 I129 R226 I227 K228	F107-M230 HydrophobicContact CE1-CE 4.44Å; F107-M230 HydrophobicContact CZ-CE 4.37Å; W123-M230 HydrophobicContact CH2-CE 4.26Å; W123-M230 HydrophobicContact CH2-SD 4.33Å; W123-M230 HydrophobicContact CZ3-CE 4.4Å; W123-M230 HydrophobicContact CZ3-SD 3.88Å; E124-M230 HydrophobicContact CB-CE 4.43Å; E124-M230 HydrophobicContact CB-SD 4.19Å; E124-M230 HydrophobicContact CG-CE 4.38Å; E124-M230 WeakPolarHBondContact O-CG 3.38Å; L127-M230 HydrophobicContact CB-SD 4Å; L127-M230 HydrophobicContact CD2-SD 3.89Å; L127-M230 HydrophobicContact CG-SD 4.25Å; L127-M230 WeakPolarHBondContact O-CB 3.24Å; L127-M230 WeakPolarHBondContact O-CG 3.36Å; I128-M230 WeakPolarHBondContact CA-O 3.41Å; I129-M230 HydrophobicContact CD1-CB 4.39Å; I129-M230 PolarHBondContact N-O 3.03Å; R226-M230 VanDerWaalsContact O-CE 3.24Å; R226-M230 WeakPolarHBondContact O-CE 3.14Å; I227-M230 HydrophobicContact CD1-CE 3.63Å; I227-M230 HydrophobicContact CD1-SD 4.32Å; I227-M230 WeakPolarHBondContact O-CB 3.46Å; I227-M230 PolarHBondContact O-N 2.93Å; K228-M230 PolarHBondContact O-N 3.19Å
231	V	98.8	Very high	98	Very high	23 Å²	23	60.8 Å²	60.8	14%	0.139	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	130.9	-176.6	179	0	0	0	0	111.1	I129 D131 M181 V185 I227 K228	I129-V231 HydrophobicContact CB-CG2 4.34Å; I129-V231 WeakPolarHBondContact O-CA 3.21Å; D131-V231 HydrophobicContact CB-CG1 3.71Å; M181-V231 HydrophobicContact CB-CG1 4.32Å; M181-V231 HydrophobicContact CE-CG2 3.74Å; V185-V231 HydrophobicContact CG1-CB 4.33Å; V185-V231 HydrophobicContact CG1-CG1 4.47Å; V185-V231 HydrophobicContact CG1-CG2 4.1Å; V185-V231 HydrophobicContact CG2-CG1 4.1Å; I227-V231 HydrophobicContact CG1-CG2 4.15Å; I227-V231 HydrophobicContact CG2-CG2 4.28Å; I227-V231 PolarHBondContact O-N 2.85Å; K228-V231 PolarHBondContact O-N 3.39Å
232	R	98.2	Very high	98.1	Very high	100 Å²	100	56.1 Å²	56.1	38%	0.377	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	171.7	175.6	65.9	-178.7	67.8	164.6	-9.7	112.5	I128 I129 D131 G234 F237	I128-R232 VanDerWaalsContact CD1-NH1 3.26Å; I128-R232 HydrophobicContact CG2-CG 3.4Å; I129-R232 PolarHBondContact O-N 2.98Å; D131-R232 WeakPolarHBondContact CB-O 3.37Å; D131-R232 PolarHBondContact N-O 3.03Å; R232-G234 PolarHBondContact O-N 3.35Å; R232-F237 HydrophobicContact CG-CB 4.41Å
233	D	98.8	Very high	98.1	Very high	57 Å²	57	57.9 Å²	57.9	31%	0.305	27%	0.265	S	S	.	.			trans	-63.3	107.4	169.3	-170.7	-61.9	0	0	0	109.6	R132 V235 Y236 F237	R132-D233 IonicContact CZ-OD2 3.5Å; R132-D233 VanDerWaalsContact CZ-OD2 3.29Å; R132-D233 IonicContact NH1-OD1 2.74Å; R132-D233 IonicContact NH1-OD2 3.16Å; R132-D233 PolarHBondContact NH1-OD2 3.16Å; R132-D233 IonicContact NH2-OD2 3.05Å; R132-D233 PolarHBondContact NH2-OD2 3.43Å; D233-V235 PolarHBondContact OD1-N 3.1Å; D233-Y236 WeakPolarHBondContact OD1-CB 3.19Å; D233-Y236 PolarHBondContact OD1-N 3.44Å; D233-F237 VanDerWaalsContact O-CB 3.28Å; D233-F237 WeakPolarHBondContact O-CB 3.25Å; D233-F237 PolarHBondContact O-N 2.97Å
234	G	98.8	Very high	98	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-71.8	-29.5	-175.4	0	0	0	0	0	114	R232 L238	R232-G234 PolarHBondContact O-N 3.35Å; G234-L238 PolarHBondContact O-N 3.02Å; G234-L238 VanDerWaalsContact O-N 3.11Å
235	V	98.8	Very high	98	Very high	54 Å²	54	61.2 Å²	61.2	33%	0.327	30%	0.301	S	S	.	.	H	α-helix	trans	-71.3	-48.8	-179.6	177.3	0	0	0	0	109.4	D233 L238 Y239	D233-V235 PolarHBondContact OD1-N 3.1Å; V235-L238 PolarHBondContact O-N 3.19Å; V235-Y239 VanDerWaalsContact O-CB 3.27Å; V235-Y239 WeakPolarHBondContact O-CB 3.31Å; V235-Y239 PolarHBondContact O-N 3.07Å
236	Y	98.8	Very high	98.2	Very high	146 Å²	146	61.6 Å²	61.6	57%	0.573	31%	0.313	S	S	*	.	H	α-helix	trans	-62.6	-45	176.3	-177.6	-98.6	0	0	0	111.6	D233 L238 Y239 E240	D233-Y236 WeakPolarHBondContact OD1-CB 3.19Å; D233-Y236 PolarHBondContact OD1-N 3.44Å; Y236-L238 VanDerWaalsContact C-N 3.33Å; Y236-L238 PolarHBondContact O-N 3.31Å; Y236-Y239 PolarHBondContact O-N 3.39Å; Y236-E240 HydrophobicContact CD1-CG 4.2Å; Y236-E240 HydrophobicContact CE1-CG 3.71Å; Y236-E240 HydrophobicContact CE2-CG 4.06Å; Y236-E240 WeakPolarHBondContact O-CG 3.36Å; Y236-E240 PolarHBondContact O-N 3.33Å
237	F	98.9	Very high	98.2	Very high	32 Å²	32	60.2 Å²	60.2	14%	0.14	31%	0.31	C	S	.	.	H	α-helix	trans	-54.1	-49	176.8	169.3	-100.2	0	0	0	112.2	I56 T92 F94 I128 R232 D233 A241	I56-F237 HydrophobicContact CD1-CE1 4.49Å; I56-F237 HydrophobicContact CD1-CZ 4.13Å; I56-F237 HydrophobicContact CG2-CE1 4.49Å; T92-F237 HydrophobicContact CG2-CZ 4.08Å; F94-F237 HydrophobicContact CB-CE1 3.94Å; F94-F237 HydrophobicContact CD1-CD1 4.27Å; F94-F237 HydrophobicContact CD1-CE1 4.15Å; F94-F237 AromaticContact CD2-CD1 3.79Å; F94-F237 HydrophobicContact CD2-CD1 3.79Å; F94-F237 AromaticContact CD2-CE1 3.8Å; F94-F237 HydrophobicContact CD2-CE1 3.8Å; F94-F237 HydrophobicContact CE1-CD1 4.31Å; F94-F237 AromaticContact CE2-CD1 3.85Å; F94-F237 HydrophobicContact CE2-CD1 3.85Å; F94-F237 HydrophobicContact CE2-CE1 4.33Å; F94-F237 HydrophobicContact CG-CD1 4.01Å; F94-F237 AromaticContact CG-CE1 3.69Å; F94-F237 HydrophobicContact CG-CE1 3.69Å; F94-F237 HydrophobicContact CZ-CD1 4.11Å; I128-F237 HydrophobicContact CG1-CE2 4.23Å; I128-F237 HydrophobicContact CG1-CZ 4.19Å; I128-F237 HydrophobicContact CG2-CD1 4.39Å; I128-F237 HydrophobicContact CG2-CD2 4.43Å; I128-F237 HydrophobicContact CG2-CE1 4.45Å; I128-F237 HydrophobicContact CG2-CE2 4.48Å; I128-F237 HydrophobicContact CG2-CG 4.37Å; I128-F237 HydrophobicContact CG2-CZ 4.49Å; R232-F237 HydrophobicContact CG-CB 4.41Å; D233-F237 VanDerWaalsContact O-CB 3.28Å; D233-F237 WeakPolarHBondContact O-CB 3.25Å; D233-F237 PolarHBondContact O-N 2.97Å; F237-A241 PolarHBondContact O-N 3.33Å
238	L	98.7	Very high	98.3	Very high	1 Å²	1	65.7 Å²	65.7	1%	0.005	33%	0.334	C	S	.	.	H	α-helix	trans	-73.7	-36.8	-178.7	-174.5	62	0	0	0	112.1	G234 V235 Y236 E240 A241 L242 I249 L283 M285	G234-L238 PolarHBondContact O-N 3.02Å; G234-L238 VanDerWaalsContact O-N 3.11Å; V235-L238 PolarHBondContact O-N 3.19Å; Y236-L238 VanDerWaalsContact C-N 3.33Å; Y236-L238 PolarHBondContact O-N 3.31Å; L238-E240 PolarHBondContact O-N 2.71Å; L238-A241 PolarHBondContact O-N 3.06Å; L238-L242 HydrophobicContact CD1-CD1 4.38Å; L238-L242 HydrophobicContact CD1-CG 4.2Å; L238-L242 HydrophobicContact CD2-CD1 4.36Å; L238-L242 HydrophobicContact CG-CD1 3.84Å; L238-L242 HydrophobicContact CG-CG 4.14Å; L238-L242 WeakPolarHBondContact O-CB 3.42Å; L238-L242 VanDerWaalsContact O-CG 3.25Å; L238-L242 WeakPolarHBondContact O-CG 3.46Å; L238-L242 PolarHBondContact O-N 2.79Å; L238-I249 HydrophobicContact CD1-CD1 4.2Å; L238-I249 HydrophobicContact CD1-CG2 4.43Å; L238-L283 HydrophobicContact CD2-CB 3.56Å; L238-L283 HydrophobicContact CD2-CD1 4.22Å; L238-L283 HydrophobicContact CD2-CG 4.34Å; L238-M285 HydrophobicContact CD2-CB 4.06Å; L238-M285 HydrophobicContact CD2-CG 4.26Å; L238-M285 HydrophobicContact CD2-SD 4.02Å
239	Y	98.7	Very high	98.3	Very high	126 Å²	126	61 Å²	61	49%	0.494	31%	0.314	S	S	.	.	H	α-helix	trans	-56.9	-48.5	175.2	-178.9	-89.4	0	0	0	111.4	V235 Y236 A241 L242 H243	V235-Y239 VanDerWaalsContact O-CB 3.27Å; V235-Y239 WeakPolarHBondContact O-CB 3.31Å; V235-Y239 PolarHBondContact O-N 3.07Å; Y236-Y239 PolarHBondContact O-N 3.39Å; Y239-A241 VanDerWaalsContact C-N 3.32Å; Y239-A241 PolarHBondContact O-N 2.88Å; Y239-L242 PolarHBondContact O-N 2.86Å; Y239-L242 VanDerWaalsContact O-N 3.15Å; Y239-H243 AromaticContact CD2-CD2 3.37Å; Y239-H243 WeakPolarHBondContact CD2-CD2 3.48Å; Y239-H243 AromaticContact CD2-NE2 3.67Å; Y239-H243 HydrophobicContact CE1-CB 4.48Å; Y239-H243 AromaticContact CE1-CD2 3.89Å; Y239-H243 AromaticContact CE2-CD2 3.22Å; Y239-H243 WeakPolarHBondContact CE2-CD2 3.38Å; Y239-H243 AromaticContact CE2-NE2 3.39Å; Y239-H243 WeakPolarHBondContact CE2-NE2 3.47Å; Y239-H243 AromaticContact CG-CD2 3.78Å; Y239-H243 AromaticContact CZ-CD2 3.49Å; Y239-H243 VanDerWaalsContact CZ-CD2 3.49Å; Y239-H243 PolarHBondContact O-CD2 2.93Å; Y239-H243 VanDerWaalsContact O-CD2 3.23Å; Y239-H243 PolarHBondContact O-N 3.3Å
240	E	98.6	Very high	98.4	Very high	94 Å²	94	56.2 Å²	56.2	44%	0.439	28%	0.283	S	S	.	.	H	α-helix	trans	-61.8	-39.5	176.4	-72.4	-68.2	100.1	0	0	112	Y236 L238 L242 G244	Y236-E240 HydrophobicContact CD1-CG 4.2Å; Y236-E240 HydrophobicContact CE1-CG 3.71Å; Y236-E240 HydrophobicContact CE2-CG 4.06Å; Y236-E240 WeakPolarHBondContact O-CG 3.36Å; Y236-E240 PolarHBondContact O-N 3.33Å; L238-E240 PolarHBondContact O-N 2.71Å; E240-L242 VanDerWaalsContact C-N 3.33Å; E240-L242 PolarHBondContact O-N 3.27Å; E240-G244 WeakPolarHBondContact O-CA 3.48Å; E240-G244 PolarHBondContact O-N 2.84Å
241	A	98.4	Very high	98.4	Very high	7 Å²	7	56 Å²	56	6%	0.058	28%	0.281	C	S	.	.	H	α-helix	trans	-66.7	-34.1	175.8	0	0	0	0	0	112.9	N28 I56 F237 L238 Y239 K247 I249	N28-A241 PolarHBondContact ND2-O 2.88Å; I56-A241 HydrophobicContact CD1-CB 3.52Å; F237-A241 PolarHBondContact O-N 3.33Å; L238-A241 PolarHBondContact O-N 3.06Å; Y239-A241 VanDerWaalsContact C-N 3.32Å; Y239-A241 PolarHBondContact O-N 2.88Å; A241-K247 HydrophobicContact CB-CD 4.48Å; A241-I249 HydrophobicContact CB-CD1 4.02Å
242	L	98.3	Very high	98.3	Very high	3 Å²	3	55.2 Å²	55.2	2%	0.016	28%	0.276	C	S	.	.	H	α-helix	trans	-76.7	-36.6	178.6	-71.5	170.3	0	0	0	112.4	G27 N28 V30 L238 Y239 E240 I249 M285 N289	G27-L242 CarbonylContact C-O 3.55Å; G27-L242 WeakPolarHBondContact CA-O 3.42Å; N28-L242 HydrophobicContact CB-CD2 4.38Å; N28-L242 PolarHBondContact N-O 2.54Å; N28-L242 WeakPolarHBondContact O-CD2 3.31Å; V30-L242 HydrophobicContact CG1-CD2 3.84Å; L238-L242 HydrophobicContact CD1-CD1 4.38Å; L238-L242 HydrophobicContact CD1-CG 4.2Å; L238-L242 HydrophobicContact CD2-CD1 4.36Å; L238-L242 HydrophobicContact CG-CD1 3.84Å; L238-L242 HydrophobicContact CG-CG 4.14Å; L238-L242 WeakPolarHBondContact O-CB 3.42Å; L238-L242 VanDerWaalsContact O-CG 3.25Å; L238-L242 WeakPolarHBondContact O-CG 3.46Å; L238-L242 PolarHBondContact O-N 2.79Å; Y239-L242 PolarHBondContact O-N 2.86Å; Y239-L242 VanDerWaalsContact O-N 3.15Å; E240-L242 VanDerWaalsContact C-N 3.33Å; E240-L242 PolarHBondContact O-N 3.27Å; L242-I249 HydrophobicContact CD2-CD1 3.83Å; L242-I249 HydrophobicContact CG-CD1 4.32Å; L242-M285 HydrophobicContact CD1-CB 3.96Å; L242-N289 HydrophobicContact CD1-CB 4.1Å; L242-N289 HydrophobicContact CD2-CB 4.16Å
243	H	97.6	Very high	98.2	Very high	78 Å²	78	51 Å²	51	36%	0.361	26%	0.263	S	S	.	.	H	α-helix	trans	-104.8	-3	-173.2	-64.5	-69.5	0	0	0	114.6	G26 Y239	G26-H243 PolarHBondContact O-CE1 2.95Å; G26-H243 VanDerWaalsContact O-CE1 3.31Å; G26-H243 PolarHBondContact O-ND1 3.45Å; Y239-H243 AromaticContact CD2-CD2 3.37Å; Y239-H243 WeakPolarHBondContact CD2-CD2 3.48Å; Y239-H243 AromaticContact CD2-NE2 3.67Å; Y239-H243 HydrophobicContact CE1-CB 4.48Å; Y239-H243 AromaticContact CE1-CD2 3.89Å; Y239-H243 AromaticContact CE2-CD2 3.22Å; Y239-H243 WeakPolarHBondContact CE2-CD2 3.38Å; Y239-H243 AromaticContact CE2-NE2 3.39Å; Y239-H243 WeakPolarHBondContact CE2-NE2 3.47Å; Y239-H243 AromaticContact CG-CD2 3.78Å; Y239-H243 AromaticContact CZ-CD2 3.49Å; Y239-H243 VanDerWaalsContact CZ-CD2 3.49Å; Y239-H243 PolarHBondContact O-CD2 2.93Å; Y239-H243 VanDerWaalsContact O-CD2 3.23Å; Y239-H243 PolarHBondContact O-N 3.3Å
244	G	95.9	Very high	97.8	Very high	38 Å²	38	48.7 Å²	48.7	39%	0.392	25%	0.253	S	S	.	.	S	Bend	trans	-79.9	-154	172.7	0	0	0	0	0	113.7	E240	E240-G244 WeakPolarHBondContact O-CA 3.48Å; E240-G244 PolarHBondContact O-N 2.84Å
245	P	97.1	Very high	97.6	Very high	94 Å²	94	49.6 Å²	49.6	61%	0.61	26%	0.258	S	S	*	.	S	Bend	trans	-62.7	164.4	176.8	28.5	-35	0	0	0	111.7	N28 K247	N28-P245 PolarHBondContact ND2-O 2.74Å; P245-K247 PolarHBondContact O-N 3.3Å
246	P	98.1	Very high	97.5	Very high	122 Å²	122	47 Å²	47	79%	0.792	24%	0.242	S	C	*	.			trans	-51.4	125.8	178	-28.3	36.3	0	0	0	112.4	N28	N28-P246 VanDerWaalsContact OD1-CA 3.28Å; N28-P246 WeakPolarHBondContact OD1-CA 3.46Å
247	K	98.3	Very high	97.4	Very high	80 Å²	80	40.2 Å²	40.2	35%	0.348	22%	0.216	S	C	.	.			trans	-139	142.9	176.4	-76	-168.2	173.8	-171.6	0	111.2	N28 D55 I56 A241 P245 I249	N28-K247 VanDerWaalsContact CG-N 3.28Å; N28-K247 PolarHBondContact ND2-N 2.86Å; N28-K247 PolarHBondContact OD1-N 2.94Å; N28-K247 PolarHBondContact OD1-O 3.24Å; D55-K247 HydrophobicContact CB-CB 4.33Å; D55-K247 HydrophobicContact CB-CD 4.38Å; D55-K247 HydrophobicContact CB-CG 4.31Å; D55-K247 VanDerWaalsContact OD2-CA 3.24Å; D55-K247 WeakPolarHBondContact OD2-CA 3.14Å; I56-K247 HydrophobicContact CD1-CD 4.2Å; A241-K247 HydrophobicContact CB-CD 4.48Å; P245-K247 PolarHBondContact O-N 3.3Å; K247-I249 HydrophobicContact CB-CG1 4.28Å
248	K	98.6	Very high	97.4	Very high	115 Å²	115	38.8 Å²	38.8	50%	0.5	21%	0.21	S	C	.	.			trans	-92	110.7	169.9	-71.4	171.5	176.2	-179.2	0	109.1	D53 D55 I56	D53-K248 WeakPolarHBondContact O-CD 3.3Å; D53-K248 IonicContact OD2-NZ 3.55Å; D53-K248 PolarHBondContact OD2-NZ 3.39Å; D55-K248 PolarHBondContact N-O 2.6Å; D55-K248 PolarHBondContact OD2-N 2.68Å; I56-K248 PolarHBondContact N-O 3.16Å
249	I	98.8	Very high	97.3	Very high	2 Å²	2	40.2 Å²	40.2	1%	0.01	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	116.2	-178.5	-54.8	175.2	0	0	0	108.1	V30 T31 I56 L238 A241 L242 K247	V30-I249 CarbonylContact C-O 3.52Å; V30-I249 WeakPolarHBondContact CA-O 3.39Å; V30-I249 HydrophobicContact CB-CB 4.41Å; V30-I249 HydrophobicContact CB-CG2 4.34Å; V30-I249 HydrophobicContact CG1-CB 3.97Å; V30-I249 HydrophobicContact CG1-CG2 3.77Å; T31-I249 PolarHBondContact N-O 3.17Å; I56-I249 HydrophobicContact CB-CG1 4.29Å; I56-I249 HydrophobicContact CB-CG2 4.25Å; I56-I249 HydrophobicContact CD1-CD1 4.48Å; I56-I249 HydrophobicContact CD1-CG1 4.36Å; I56-I249 HydrophobicContact CG2-CG2 4.39Å; I56-I249 WeakPolarHBondContact O-CA 3.29Å; L238-I249 HydrophobicContact CD1-CD1 4.2Å; L238-I249 HydrophobicContact CD1-CG2 4.43Å; A241-I249 HydrophobicContact CB-CD1 4.02Å; L242-I249 HydrophobicContact CD2-CD1 3.83Å; L242-I249 HydrophobicContact CG-CD1 4.32Å; K247-I249 HydrophobicContact CB-CG1 4.28Å
250	L	98.8	Very high	97.3	Very high	4 Å²	4	34.2 Å²	34.2	2%	0.021	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	135.4	178.9	179.1	64.4	0	0	0	110	T31 V33 V47 L50 A51 A54 I56 V57 C58	T31-L250 HydrophobicContact CG2-CD1 3.97Å; T31-L250 CarbonylContact O-C 3.53Å; T31-L250 WeakPolarHBondContact O-CA 3.46Å; V33-L250 HydrophobicContact CG2-CD1 3.93Å; V47-L250 HydrophobicContact CG1-CD2 4.2Å; L50-L250 HydrophobicContact CB-CD1 4Å; L50-L250 HydrophobicContact CB-CD2 3.79Å; L50-L250 HydrophobicContact CD1-CD1 3.94Å; A51-L250 HydrophobicContact CB-CD2 4.21Å; A54-L250 HydrophobicContact CB-CB 4.27Å; I56-L250 PolarHBondContact O-N 3.27Å; V57-L250 CarbonylContact C-O 3.55Å; V57-L250 WeakPolarHBondContact CA-O 3.39Å; V57-L250 HydrophobicContact CG1-CB 4.43Å; V57-L250 HydrophobicContact CG1-CD2 4.21Å; V57-L250 HydrophobicContact CG1-CG 4.41Å; V57-L250 HydrophobicContact CG2-CB 4.17Å; V57-L250 HydrophobicContact CG2-CD2 4.3Å; C58-L250 PolarHBondContact N-O 3.13Å
251	V	98.7	Very high	97.3	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	116.5	174.5	-173.7	0	0	0	0	109.3	V30 T31 V32 V33 C58 C60 G253 V279 L283	V30-V251 HydrophobicContact CB-CG2 4.02Å; V30-V251 HydrophobicContact CG2-CG2 4.02Å; T31-V251 PolarHBondContact O-N 3.02Å; V32-V251 HydrophobicContact CG1-CB 4.36Å; V32-V251 HydrophobicContact CG2-CB 4.34Å; V33-V251 PolarHBondContact N-O 3.34Å; C58-V251 HydrophobicContact CB-CG1 4.48Å; C58-V251 HydrophobicContact CB-CG2 4.18Å; C60-V251 HydrophobicContact CB-CG1 4.06Å; V251-G253 PolarHBondContact O-N 3.15Å; V251-V279 HydrophobicContact CG1-CG1 4.22Å; V251-V279 HydrophobicContact CG1-CG2 4.22Å; V251-V279 HydrophobicContact CG2-CG1 4.17Å; V251-L283 HydrophobicContact CG1-CD1 4.16Å; V251-L283 HydrophobicContact CG2-CD1 3.75Å
252	E	97.4	Very high	97.3	Very high	6 Å²	6	37.1 Å²	37.1	3%	0.028	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	108.4	175.1	-56.6	-174	-175.2	0	0	109.7	V47 V57 C58 R59 H68 P83 S84 G85	V47-E252 HydrophobicContact CB-CG 4.43Å; V47-E252 HydrophobicContact CG1-CG 3.54Å; V47-E252 WeakPolarHBondContact CG1-OE1 3.33Å; V47-E252 HydrophobicContact CG2-CB 4.4Å; V47-E252 HydrophobicContact CG2-CG 3.96Å; V57-E252 HydrophobicContact CG1-CG 3.66Å; V57-E252 WeakPolarHBondContact CG1-OE1 3.19Å; C58-E252 PolarHBondContact O-N 3.2Å; R59-E252 WeakPolarHBondContact CD-O 3.27Å; H68-E252 IonicContact CE1-OE2 3.53Å; P83-E252 WeakPolarHBondContact CA-OE2 3.39Å; S84-E252 PolarHBondContact N-OE1 2.9Å; S84-E252 PolarHBondContact N-OE2 2.71Å; S84-E252 VanDerWaalsContact OG-CD 3.3Å; S84-E252 PolarHBondContact OG-OE1 3Å; S84-E252 PolarHBondContact OG-OE2 2.85Å; G85-E252 PolarHBondContact N-OE1 2.8Å
253	G	95.8	Very high	97.3	Very high	11 Å²	11	40.7 Å²	40.7	11%	0.113	23%	0.226	C	C	.	.			trans	-69.6	128	172.9	0	0	0	0	0	112.2	V33 K43 V251	V33-G253 VanDerWaalsContact O-CA 3.27Å; V33-G253 WeakPolarHBondContact O-CA 3.22Å; V33-G253 PolarHBondContact O-N 2.85Å; K43-G253 WeakPolarHBondContact CE-O 2.99Å; V251-G253 PolarHBondContact O-N 3.15Å
254	A	91.1	Very high	97.4	Very high	10 Å²	10	37.6 Å²	37.6	8%	0.083	22%	0.215	C	C	.	.			trans	-81.2	152.1	170	0	0	0	0	0	111.1	A256	A254-A256 PolarHBondContact O-N 3.45Å
255	N	93.6	Very high	97.4	Very high	19 Å²	19	36.3 Å²	36.3	10%	0.102	20%	0.2	C	C	.	.	S	Bend	trans	51.9	-136.3	178.9	-64.9	97.6	0	0	0	111.7	K43 N65 L259 T270 C274	K43-N255 WeakPolarHBondContact CE-O 3.28Å; K43-N255 PolarHBondContact NZ-O 2.88Å; N65-N255 PolarHBondContact ND2-ND2 2.93Å; N65-N255 PolarHBondContact ND2-OD1 2.74Å; N255-L259 HydrophobicContact CB-CB 4.35Å; N255-L259 HydrophobicContact CB-CD1 4.16Å; N255-T270 HydrophobicContact CB-CG2 4.32Å; N255-C274 HydrophobicContact CB-CB 4.39Å; N255-C274 VanDerWaalsContact CB-SG 3.58Å
256	A	96.9	Very high	97.4	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.197	C	C	.	.			trans	-162.1	168.2	-177.6	0	0	0	0	0	111.6	G35 Q37 E41 A254 L258 L259 D260 C274	G35-A256 CarbonylContact O-C 3.51Å; G35-A256 WeakPolarHBondContact O-CA 3.37Å; G35-A256 WeakPolarHBondContact O-CB 3.28Å; Q37-A256 WeakPolarHBondContact O-CB 3.39Å; E41-A256 WeakPolarHBondContact OE1-CB 3.43Å; A254-A256 PolarHBondContact O-N 3.45Å; A256-L258 VanDerWaalsContact C-N 3.33Å; A256-L258 PolarHBondContact O-N 2.72Å; A256-L259 WeakPolarHBondContact O-CB 3.31Å; A256-L259 PolarHBondContact O-N 3.38Å; A256-D260 PolarHBondContact O-N 3.15Å; A256-C274 WeakPolarHBondContact O-CB 3.42Å
257	A	98.4	Very high	97.2	Very high	2 Å²	2	35.1 Å²	35.1	2%	0.017	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-53.2	-43.9	-174.9	0	0	0	0	0	113.6	G35 L259 D260 T275 A349	G35-A257 PolarHBondContact O-N 3.19Å; A257-L259 PolarHBondContact O-N 2.89Å; A257-D260 WeakPolarHBondContact O-CB 3.45Å; A257-D260 PolarHBondContact O-N 3.36Å; A257-D260 VanDerWaalsContact O-N 3.09Å; A257-T275 HydrophobicContact CB-CG2 4.38Å; A257-A349 HydrophobicContact CB-CB 3.88Å
258	L	98.2	Very high	97	Very high	3 Å²	3	32.7 Å²	32.7	2%	0.016	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-81.3	-0.1	-176.7	-51.7	176.5	0	0	0	113.4	Q37 W38 A256 G264 T265 L345 Y348	Q37-L258 VanDerWaalsContact O-CB 3.26Å; Q37-L258 WeakPolarHBondContact O-CB 3.16Å; Q37-L258 WeakPolarHBondContact O-CG 3.21Å; Q37-L258 PolarHBondContact O-N 3.28Å; W38-L258 HydrophobicContact CD2-CB 3.79Å; W38-L258 HydrophobicContact CD2-CD1 3.6Å; W38-L258 HydrophobicContact CD2-CG 4.35Å; W38-L258 HydrophobicContact CE3-CD1 3.58Å; W38-L258 HydrophobicContact CG-CB 3.84Å; W38-L258 HydrophobicContact CG-CD1 4.39Å; W38-L258 HydrophobicContact CH2-CD1 3.69Å; W38-L258 HydrophobicContact CZ2-CB 4.15Å; W38-L258 HydrophobicContact CZ2-CD1 3.66Å; W38-L258 HydrophobicContact CZ2-CG 4.48Å; W38-L258 HydrophobicContact CZ3-CD1 3.63Å; W38-L258 VanDerWaalsContact NE1-CB 3.33Å; W38-L258 PolarHBondContact NE1-O 3.36Å; A256-L258 VanDerWaalsContact C-N 3.33Å; A256-L258 PolarHBondContact O-N 2.72Å; L258-G264 VanDerWaalsContact C-CA 3.44Å; L258-G264 WeakPolarHBondContact O-CA 3.31Å; L258-T265 PolarHBondContact O-N 3.38Å; L258-T265 VanDerWaalsContact O-N 3.08Å; L258-L345 HydrophobicContact CD1-CB 4.06Å; L258-L345 HydrophobicContact CD1-CD1 4.11Å; L258-L345 HydrophobicContact CD1-CD2 4.14Å; L258-L345 HydrophobicContact CD1-CG 4.35Å; L258-L345 HydrophobicContact CD2-CD2 4.07Å; L258-Y348 HydrophobicContact CD2-CD1 4.05Å; L258-Y348 HydrophobicContact CD2-CE1 4.35Å
259	L	97.2	Very high	96.8	Very high	30 Å²	30	28.6 Å²	28.6	16%	0.157	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	-104.5	2.3	168	-66.1	175.2	0	0	0	112.4	W38 N255 A256 A257 V269 T270	W38-L259 HydrophobicContact CB-CG 4.46Å; W38-L259 WeakPolarHBondContact O-CD1 3.27Å; N255-L259 HydrophobicContact CB-CB 4.35Å; N255-L259 HydrophobicContact CB-CD1 4.16Å; A256-L259 WeakPolarHBondContact O-CB 3.31Å; A256-L259 PolarHBondContact O-N 3.38Å; A257-L259 PolarHBondContact O-N 2.89Å; L259-V269 WeakPolarHBondContact O-CB 3.49Å; L259-T270 WeakPolarHBondContact O-CG2 3.07Å; L259-T270 PolarHBondContact O-N 2.75Å
260	D	98.5	Very high	96.6	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.153	C	C	.	.			trans	-61.2	142.3	176.4	-169.6	-68	0	0	0	110.8	A256 A257 D262 F263 G264 V269 N273 C274 T275	A256-D260 PolarHBondContact O-N 3.15Å; A257-D260 WeakPolarHBondContact O-CB 3.45Å; A257-D260 PolarHBondContact O-N 3.36Å; A257-D260 VanDerWaalsContact O-N 3.09Å; D260-D262 VanDerWaalsContact C-N 3.28Å; D260-D262 PolarHBondContact O-N 3Å; D260-D262 PolarHBondContact OD1-N 3.27Å; D260-F263 HydrophobicContact CB-CB 4.19Å; D260-F263 PolarHBondContact OD1-N 2.99Å; D260-G264 VanDerWaalsContact O-CA 3.24Å; D260-G264 WeakPolarHBondContact O-CA 3.43Å; D260-G264 PolarHBondContact O-N 3.48Å; D260-V269 WeakPolarHBondContact O-CB 3.24Å; D260-V269 WeakPolarHBondContact O-CG1 3.41Å; D260-N273 PolarHBondContact OD1-ND2 3.48Å; D260-N273 VanDerWaalsContact OD1-ND2 3.15Å; D260-N273 WeakPolarHBondContact OD2-CA 3.3Å; D260-C274 HydrophobicContact CB-CB 4.29Å; D260-C274 PolarHBondContact OD2-N 3.32Å; D260-T275 HydrophobicContact CB-CG2 4.08Å; D260-T275 WeakPolarHBondContact OD2-CB 3.37Å; D260-T275 VanDerWaalsContact OD2-CG2 3.24Å; D260-T275 WeakPolarHBondContact OD2-CG2 3.25Å; D260-T275 PolarHBondContact OD2-N 3.13Å; D260-T275 VanDerWaalsContact OD2-N 3.08Å; D260-T275 PolarHBondContact OD2-OG1 2.67Å
261	I	98.4	Very high	96.5	Very high	54 Å²	54	31 Å²	31	28%	0.277	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-33.4	-178.8	-174.1	56.7	0	0	0	113.4	Y266 V269 T270 S272	I261-Y266 HydrophobicContact CD1-CD2 4.41Å; I261-Y266 HydrophobicContact CD1-CE2 4.35Å; I261-V269 HydrophobicContact CD1-CG2 3.96Å; I261-T270 WeakPolarHBondContact CB-O 3.13Å; I261-T270 WeakPolarHBondContact CD1-O 3.47Å; I261-S272 PolarHBondContact N-O 2.84Å
262	D	98.6	Very high	96.5	Very high	109 Å²	109	31.2 Å²	31.2	58%	0.583	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.1	-38.7	-178.1	-70.3	-72.4	0	0	0	111.9	D260 N273	D260-D262 VanDerWaalsContact C-N 3.28Å; D260-D262 PolarHBondContact O-N 3Å; D260-D262 PolarHBondContact OD1-N 3.27Å; D262-N273 PolarHBondContact OD2-ND2 3.35Å
263	F	98.6	Very high	96.5	Very high	78 Å²	78	33 Å²	33	34%	0.342	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.4	-9.2	-168.6	-53.7	-62.6	0	0	0	114.3	D260 T275 Y348 I352	D260-F263 HydrophobicContact CB-CB 4.19Å; D260-F263 PolarHBondContact OD1-N 2.99Å; F263-T275 HydrophobicContact CD2-CG2 4.02Å; F263-Y348 HydrophobicContact CB-CE1 4.45Å; F263-Y348 VanDerWaalsContact O-CE1 3.27Å; F263-Y348 WeakPolarHBondContact O-CE1 3.12Å; F263-Y348 PolarHBondContact O-OH 3.23Å; F263-Y348 VanDerWaalsContact O-OH 3.09Å; F263-I352 HydrophobicContact CB-CD1 3.61Å; F263-I352 HydrophobicContact CD1-CD1 4.02Å; F263-I352 HydrophobicContact CD1-CG1 4.35Å; F263-I352 HydrophobicContact CD2-CD1 4.44Å; F263-I352 HydrophobicContact CD2-CG2 3.85Å; F263-I352 HydrophobicContact CE2-CG2 3.98Å; F263-I352 HydrophobicContact CG-CD1 3.77Å; F263-I352 HydrophobicContact CG-CG1 4.34Å; F263-I352 HydrophobicContact CG-CG2 4.25Å; F263-I352 HydrophobicContact CZ-CG2 4.49Å
264	G	97.9	Very high	96.6	Very high	13 Å²	13	32.7 Å²	32.7	13%	0.134	17%	0.173	C	C	.	.	S	Bend	trans	-77.3	-176.8	179.2	0	0	0	0	0	113.4	L258 D260 Y266	L258-G264 VanDerWaalsContact C-CA 3.44Å; L258-G264 WeakPolarHBondContact O-CA 3.31Å; D260-G264 VanDerWaalsContact O-CA 3.24Å; D260-G264 WeakPolarHBondContact O-CA 3.43Å; D260-G264 PolarHBondContact O-N 3.48Å; G264-Y266 PolarHBondContact O-N 2.96Å
265	T	97	Very high	97	Very high	10 Å²	10	32.4 Å²	32.4	6%	0.061	17%	0.17	C	C	.	.	S	Bend	trans	-76.5	68.4	175.5	51.7	0	0	0	0	111.9	W38 L258 F268 R303 L395	W38-T265 HydrophobicContact CZ2-CG2 3.66Å; W38-T265 PolarHBondContact NE1-OG1 2.9Å; W38-T265 VanDerWaalsContact NE1-OG1 3.16Å; L258-T265 PolarHBondContact O-N 3.38Å; L258-T265 VanDerWaalsContact O-N 3.08Å; T265-F268 CarbonylContact O-C 3.42Å; T265-F268 WeakPolarHBondContact O-CA 3.49Å; T265-F268 WeakPolarHBondContact O-CB 3.19Å; T265-F268 PolarHBondContact O-N 3.19Å; T265-R303 PolarHBondContact OG1-NH1 2.75Å; T265-R303 PolarHBondContact OG1-NH2 3.31Å; T265-L395 HydrophobicContact CG2-CD2 3.71Å
266	Y	96.4	Very high	97.3	Very high	143 Å²	143	33 Å²	33	56%	0.561	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.4	137.8	-179.1	-175.9	-85.9	0	0	0	111.3	I261 G264 V269	I261-Y266 HydrophobicContact CD1-CD2 4.41Å; I261-Y266 HydrophobicContact CD1-CE2 4.35Å; G264-Y266 PolarHBondContact O-N 2.96Å; Y266-V269 HydrophobicContact CD2-CG2 3.83Å
267	P	93.8	Very high	97.3	Very high	49 Å²	49	34.8 Å²	34.8	32%	0.318	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	cis	-88	2.4	7.4	35.9	-37.2	0	0	0	115.2	L159 V269	L159-P267 HydrophobicContact CD2-CB 3.97Å; L159-P267 HydrophobicContact CD2-CG 4.04Å; L159-P267 WeakPolarHBondContact CD2-O 3.4Å; P267-V269 PolarHBondContact O-N 2.99Å
268	F	94	Very high	97.4	Very high	28 Å²	28	34.7 Å²	34.7	12%	0.123	19%	0.192	C	C	.	.	S	Bend	trans	-84.6	62	-175.5	-55.1	-60.6	0	0	0	111.8	L159 T265 I306 Q392	L159-F268 HydrophobicContact CD2-CD1 3.73Å; L159-F268 HydrophobicContact CD2-CE1 3.85Å; T265-F268 CarbonylContact O-C 3.42Å; T265-F268 WeakPolarHBondContact O-CA 3.49Å; T265-F268 WeakPolarHBondContact O-CB 3.19Å; T265-F268 PolarHBondContact O-N 3.19Å; F268-I306 HydrophobicContact CD1-CD1 4.28Å; F268-I306 HydrophobicContact CD1-CG1 3.73Å; F268-I306 HydrophobicContact CE1-CD1 3.39Å; F268-I306 HydrophobicContact CE1-CG1 3.34Å; F268-I306 HydrophobicContact CE2-CG1 4.46Å; F268-I306 HydrophobicContact CG-CG1 4.48Å; F268-I306 HydrophobicContact CZ-CD1 3.58Å; F268-I306 HydrophobicContact CZ-CG1 3.74Å; F268-Q392 HydrophobicContact CD2-CG 4.42Å; F268-Q392 HydrophobicContact CE2-CG 3.94Å
269	V	94.9	Very high	97.4	Very high	29 Å²	29	34.5 Å²	34.5	18%	0.176	19%	0.191	C	C	.	.	S	Bend	trans	-135.9	170.7	-172.6	-65.8	0	0	0	0	110.3	L259 D260 I261 Y266 P267	L259-V269 WeakPolarHBondContact O-CB 3.49Å; D260-V269 WeakPolarHBondContact O-CB 3.24Å; D260-V269 WeakPolarHBondContact O-CG1 3.41Å; I261-V269 HydrophobicContact CD1-CG2 3.96Å; Y266-V269 HydrophobicContact CD2-CG2 3.83Å; P267-V269 PolarHBondContact O-N 2.99Å
270	T	94.8	Very high	97.5	Very high	16 Å²	16	34.3 Å²	34.3	10%	0.098	19%	0.192	C	C	.	.			trans	-82.6	175.7	166.1	-170.2	0	0	0	0	110.5	N255 L259 I261 C274	N255-T270 HydrophobicContact CB-CG2 4.32Å; L259-T270 WeakPolarHBondContact O-CG2 3.07Å; L259-T270 PolarHBondContact O-N 2.75Å; I261-T270 WeakPolarHBondContact CB-O 3.13Å; I261-T270 WeakPolarHBondContact CD1-O 3.47Å; T270-C274 WeakPolarHBondContact CG2-SG 3.41Å
271	S	96.9	Very high	97.5	Very high	42 Å²	42	38.4 Å²	38.4	29%	0.294	22%	0.217	S	C	.	.	S	Bend	trans	-97.7	21.7	-177.8	-51.7	0	0	0	0	113.7	G167	G167-S271 WeakPolarHBondContact CA-OG 3.09Å
272	S	97.6	Very high	97.5	Very high	4 Å²	4	35.8 Å²	35.8	3%	0.028	20%	0.204	C	C	.	.	S	Bend	trans	-136.8	157.8	-178.7	62.2	0	0	0	0	111.3	I261 C274	I261-S272 PolarHBondContact N-O 2.84Å; S272-C274 PolarHBondContact O-N 3.24Å; S272-C274 PolarHBondContact O-SG 3.07Å
273	N	98.6	Very high	97.5	Very high	42 Å²	42	30.6 Å²	30.6	23%	0.225	18%	0.176	C	C	.	.			trans	-74.5	119.6	169.5	-59.6	110.1	0	0	0	110.4	Q61 D260 D262	Q61-N273 WeakPolarHBondContact CG-O 3.13Å; D260-N273 PolarHBondContact OD1-ND2 3.48Å; D260-N273 VanDerWaalsContact OD1-ND2 3.15Å; D260-N273 WeakPolarHBondContact OD2-CA 3.3Å; D262-N273 PolarHBondContact OD2-ND2 3.35Å
274	C	98.3	Very high	97.5	Very high	6 Å²	6	28.9 Å²	28.9	4%	0.041	18%	0.18	C	C	.	.			trans	-100.3	5.8	178.3	-54.7	0	0	0	0	112.2	N255 A256 D260 T270 S272	N255-C274 HydrophobicContact CB-CB 4.39Å; N255-C274 VanDerWaalsContact CB-SG 3.58Å; A256-C274 WeakPolarHBondContact O-CB 3.42Å; D260-C274 HydrophobicContact CB-CB 4.29Å; D260-C274 PolarHBondContact OD2-N 3.32Å; T270-C274 WeakPolarHBondContact CG2-SG 3.41Å; S272-C274 PolarHBondContact O-N 3.24Å; S272-C274 PolarHBondContact O-SG 3.07Å
275	T	98.8	Very high	97.5	Very high	4 Å²	4	28.8 Å²	28.8	3%	0.025	18%	0.176	C	C	.	.	S	Bend	trans	-100.9	172.4	-179.6	52.4	0	0	0	0	111.8	A257 D260 F263 G277 G278 I352 N353	A257-T275 HydrophobicContact CB-CG2 4.38Å; D260-T275 HydrophobicContact CB-CG2 4.08Å; D260-T275 WeakPolarHBondContact OD2-CB 3.37Å; D260-T275 VanDerWaalsContact OD2-CG2 3.24Å; D260-T275 WeakPolarHBondContact OD2-CG2 3.25Å; D260-T275 PolarHBondContact OD2-N 3.13Å; D260-T275 VanDerWaalsContact OD2-N 3.08Å; D260-T275 PolarHBondContact OD2-OG1 2.67Å; F263-T275 HydrophobicContact CD2-CG2 4.02Å; T275-G277 PolarHBondContact O-N 3.27Å; T275-G277 VanDerWaalsContact O-N 3.13Å; T275-G278 WeakPolarHBondContact O-CA 3.28Å; T275-G278 PolarHBondContact O-N 3.42Å; T275-I352 HydrophobicContact CG2-CG2 3.66Å; T275-N353 WeakPolarHBondContact CA-OD1 3.44Å; T275-N353 WeakPolarHBondContact CB-OD1 3.35Å
276	V	98.7	Very high	97.6	Very high	30 Å²	30	30.6 Å²	30.6	18%	0.182	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-30.9	-174.1	72.2	0	0	0	0	113.5	L34 G278 V279 V290 V293 N353	L34-V276 HydrophobicContact CD1-CB 4.07Å; V276-G278 PolarHBondContact O-N 2.81Å; V276-V279 VanDerWaalsContact O-CB 3.26Å; V276-V279 WeakPolarHBondContact O-CB 3.15Å; V276-V279 PolarHBondContact O-N 3.5Å; V276-V290 HydrophobicContact CG2-CG1 4.15Å; V276-V293 HydrophobicContact CG2-CG1 4.33Å; V276-V293 HydrophobicContact CG2-CG2 4.04Å; V276-N353 PolarHBondContact N-OD1 2.83Å
277	G	98.7	Very high	97.7	Very high	38 Å²	38	28.2 Å²	28.2	39%	0.392	19%	0.19	S	C	.	.	H	α-helix	trans	-60.2	-33.2	174.1	0	0	0	0	0	112.9	T275 V279 C280 T281	T275-G277 PolarHBondContact O-N 3.27Å; T275-G277 VanDerWaalsContact O-N 3.13Å; G277-V279 PolarHBondContact O-N 2.8Å; G277-C280 PolarHBondContact O-N 2.8Å; G277-T281 PolarHBondContact O-N 2.93Å; G277-T281 VanDerWaalsContact O-N 3.16Å; G277-T281 PolarHBondContact O-OG1 2.78Å
278	G	98.7	Very high	97.8	Very high	0 Å²	0	31 Å²	31	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-62.6	-24.6	175	0	0	0	0	0	113.9	Q61 T275 V276 G282	Q61-G278 WeakPolarHBondContact CG-O 3.33Å; Q61-G278 PolarHBondContact NE2-O 2.88Å; T275-G278 WeakPolarHBondContact O-CA 3.28Å; T275-G278 PolarHBondContact O-N 3.42Å; V276-G278 PolarHBondContact O-N 2.81Å; G278-G282 WeakPolarHBondContact O-CA 3.45Å; G278-G282 PolarHBondContact O-N 3.06Å
279	V	98.8	Very high	98	Very high	0 Å²	0	30 Å²	30	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-66.9	-48.7	173.7	-180	0	0	0	0	110.1	V30 V32 V251 V276 G277 L283 M285	V30-V279 HydrophobicContact CG2-CG1 4.3Å; V32-V279 HydrophobicContact CG1-CG2 3.63Å; V32-V279 HydrophobicContact CG2-CG1 4.22Å; V32-V279 HydrophobicContact CG2-CG2 4.11Å; V251-V279 HydrophobicContact CG1-CG1 4.22Å; V251-V279 HydrophobicContact CG1-CG2 4.22Å; V251-V279 HydrophobicContact CG2-CG1 4.17Å; V276-V279 VanDerWaalsContact O-CB 3.26Å; V276-V279 WeakPolarHBondContact O-CB 3.15Å; V276-V279 PolarHBondContact O-N 3.5Å; G277-V279 PolarHBondContact O-N 2.8Å; V279-L283 HydrophobicContact CG1-CD1 3.92Å; V279-L283 VanDerWaalsContact O-CB 3.28Å; V279-L283 WeakPolarHBondContact O-CB 3.48Å; V279-L283 WeakPolarHBondContact O-CG 3.33Å; V279-L283 PolarHBondContact O-N 3.4Å; V279-L283 VanDerWaalsContact O-N 3.14Å; V279-M285 HydrophobicContact CG1-SD 4.25Å
280	C	98.8	Very high	98.2	Very high	25 Å²	25	29.3 Å²	29.3	17%	0.169	19%	0.191	C	C	.	.	H	α-helix	trans	-63.8	-51.9	-179.4	-62.5	0	0	0	0	111	G277 G282 G284 M285	G277-C280 PolarHBondContact O-N 2.8Å; C280-G282 PolarHBondContact O-N 2.83Å; C280-G284 WeakPolarHBondContact O-CA 3.4Å; C280-G284 PolarHBondContact O-N 2.95Å; C280-M285 WeakPolarHBondContact CA-O 3.3Å; C280-M285 WeakPolarHBondContact CB-O 3.36Å; C280-M285 PolarHBondContact O-N 3.38Å
281	T	98.8	Very high	98.4	Very high	86 Å²	86	29.3 Å²	29.3	53%	0.528	19%	0.194	S	C	.	.	H	α-helix	trans	-69.9	-33.1	-177.5	59.2	0	0	0	0	112.8	Q61 N97 G277	Q61-T281 PolarHBondContact NE2-OG1 2.65Å; N97-T281 PolarHBondContact ND2-O 2.95Å; G277-T281 PolarHBondContact O-N 2.93Å; G277-T281 VanDerWaalsContact O-N 3.16Å; G277-T281 PolarHBondContact O-OG1 2.78Å
282	G	98.8	Very high	98.5	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-81.7	-16.2	-176.7	0	0	0	0	0	114.8	C60 G96 N97 G98 G278 C280	C60-G282 VanDerWaalsContact O-CA 3.26Å; C60-G282 WeakPolarHBondContact O-CA 3.32Å; G96-G282 CarbonylContact C-O 3.58Å; G96-G282 WeakPolarHBondContact CA-O 3.19Å; N97-G282 PolarHBondContact N-O 3.41Å; N97-G282 PolarHBondContact OD1-O 3.33Å; N97-G282 VanDerWaalsContact OD1-O 3.09Å; G98-G282 PolarHBondContact N-O 3.46Å; G278-G282 WeakPolarHBondContact O-CA 3.45Å; G278-G282 PolarHBondContact O-N 3.06Å; C280-G282 PolarHBondContact O-N 2.83Å
283	L	98.8	Very high	98.5	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-119.2	-10.1	-179.9	-62.3	177.8	0	0	0	113.8	C58 C60 F94 L238 V251 V279 M285	C58-L283 HydrophobicContact CB-CD1 4.39Å; C58-L283 HydrophobicContact CB-CD2 4.19Å; C60-L283 HydrophobicContact CB-CD1 4.16Å; C60-L283 HydrophobicContact CB-CD2 3.99Å; C60-L283 HydrophobicContact CB-CG 3.7Å; F94-L283 HydrophobicContact CD1-CD2 4.04Å; F94-L283 HydrophobicContact CE1-CD2 3.8Å; L238-L283 HydrophobicContact CD2-CB 3.56Å; L238-L283 HydrophobicContact CD2-CD1 4.22Å; L238-L283 HydrophobicContact CD2-CG 4.34Å; V251-L283 HydrophobicContact CG1-CD1 4.16Å; V251-L283 HydrophobicContact CG2-CD1 3.75Å; V279-L283 HydrophobicContact CG1-CD1 3.92Å; V279-L283 VanDerWaalsContact O-CB 3.28Å; V279-L283 WeakPolarHBondContact O-CB 3.48Å; V279-L283 WeakPolarHBondContact O-CG 3.33Å; V279-L283 PolarHBondContact O-N 3.4Å; V279-L283 VanDerWaalsContact O-N 3.14Å; L283-M285 HydrophobicContact CB-CG 4.08Å; L283-M285 HydrophobicContact CB-SD 4.37Å; L283-M285 HydrophobicContact CD1-SD 4.08Å
284	G	98.4	Very high	98.5	Very high	41 Å²	41	30.3 Å²	30.3	42%	0.423	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	70	33	-179.2	0	0	0	0	0	113.3	C280	C280-G284 WeakPolarHBondContact O-CA 3.4Å; C280-G284 PolarHBondContact O-N 2.95Å
285	M	98.4	Very high	98.6	Very high	11 Å²	11	30 Å²	30	5%	0.054	19%	0.19	C	C	.	.			trans	-115.8	151.7	180	62.2	175	-81.3	0	0	111.4	V30 L238 L242 V279 C280 L283 N289 V290	V30-M285 HydrophobicContact CB-CE 4.39Å; V30-M285 HydrophobicContact CG1-CE 3.82Å; V30-M285 HydrophobicContact CG1-SD 3.84Å; V30-M285 HydrophobicContact CG2-CE 3.61Å; V30-M285 HydrophobicContact CG2-SD 4.01Å; L238-M285 HydrophobicContact CD2-CB 4.06Å; L238-M285 HydrophobicContact CD2-CG 4.26Å; L238-M285 HydrophobicContact CD2-SD 4.02Å; L242-M285 HydrophobicContact CD1-CB 3.96Å; V279-M285 HydrophobicContact CG1-SD 4.25Å; C280-M285 WeakPolarHBondContact CA-O 3.3Å; C280-M285 WeakPolarHBondContact CB-O 3.36Å; C280-M285 PolarHBondContact O-N 3.38Å; L283-M285 HydrophobicContact CB-CG 4.08Å; L283-M285 HydrophobicContact CB-SD 4.37Å; L283-M285 HydrophobicContact CD1-SD 4.08Å; M285-N289 HydrophobicContact CE-CB 3.38Å; M285-N289 VanDerWaalsContact CE-O 3.25Å; M285-N289 WeakPolarHBondContact CE-O 3.49Å; M285-V290 HydrophobicContact CE-CG2 3.91Å
286	P	98.1	Very high	98.6	Very high	48 Å²	48	29.9 Å²	29.9	31%	0.312	19%	0.189	S	C	.	.			trans	-86.1	158.8	-177.7	39.4	-39.2	0	0	0	111.7	Q288 N289	P286-Q288 VanDerWaalsContact C-N 3.27Å; P286-Q288 HydrophobicContact CG-CG 4.2Å; P286-Q288 VanDerWaalsContact CG-NE2 3.32Å; P286-Q288 PolarHBondContact O-N 2.92Å; P286-Q288 VanDerWaalsContact O-N 3.16Å; P286-N289 WeakPolarHBondContact CD-OD1 3.19Å; P286-N289 WeakPolarHBondContact CG-OD1 3.28Å; P286-N289 PolarHBondContact O-N 3.27Å; P286-N289 VanDerWaalsContact O-N 3.07Å
287	P	98.3	Very high	98.6	Very high	93 Å²	93	28.5 Å²	28.5	60%	0.604	18%	0.18	S	C	*	.	G	3₁₀ helix	trans	-59.3	-30.4	-173.3	-26.9	35.6	0	0	0	115.2	N289 V290	P287-N289 PolarHBondContact O-N 3.21Å; P287-N289 VanDerWaalsContact O-N 3.13Å; P287-V290 WeakPolarHBondContact O-CB 3.44Å; P287-V290 PolarHBondContact O-N 3.18Å
288	Q	97.5	Very high	98.6	Very high	108 Å²	108	26.7 Å²	26.7	51%	0.505	16%	0.162	S	C	.	.	G	3₁₀ helix	trans	-63.2	-17.7	178.4	62.1	-89.3	23.6	0	0	113.9	P25 P286	P25-Q288 HydrophobicContact CB-CB 4.36Å; P25-Q288 HydrophobicContact CB-CG 4.34Å; P286-Q288 VanDerWaalsContact C-N 3.27Å; P286-Q288 HydrophobicContact CG-CG 4.2Å; P286-Q288 VanDerWaalsContact CG-NE2 3.32Å; P286-Q288 PolarHBondContact O-N 2.92Å; P286-Q288 VanDerWaalsContact O-N 3.16Å
289	N	98.3	Very high	98.6	Very high	6 Å²	6	26.7 Å²	26.7	3%	0.032	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-90.5	1.7	174.4	-69.5	100.3	0	0	0	112.6	N28 R29 V30 L242 M285 P286 P287	N28-N289 PolarHBondContact O-ND2 3.18Å; R29-N289 CarbonylContact C-O 3.6Å; R29-N289 WeakPolarHBondContact CA-O 3.09Å; V30-N289 PolarHBondContact N-O 3.14Å; L242-N289 HydrophobicContact CD1-CB 4.1Å; L242-N289 HydrophobicContact CD2-CB 4.16Å; M285-N289 HydrophobicContact CE-CB 3.38Å; M285-N289 VanDerWaalsContact CE-O 3.25Å; M285-N289 WeakPolarHBondContact CE-O 3.49Å; P286-N289 WeakPolarHBondContact CD-OD1 3.19Å; P286-N289 WeakPolarHBondContact CG-OD1 3.28Å; P286-N289 PolarHBondContact O-N 3.27Å; P286-N289 VanDerWaalsContact O-N 3.07Å; P287-N289 PolarHBondContact O-N 3.21Å; P287-N289 VanDerWaalsContact O-N 3.13Å
290	V	98.6	Very high	98.6	Very high	16 Å²	16	26.7 Å²	26.7	10%	0.097	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	125.9	169.1	-177.9	0	0	0	0	108.8	R29 V30 V32 V276 M285 P287 V293	R29-V290 VanDerWaalsContact CZ-O 3.26Å; R29-V290 PolarHBondContact NE-O 2.9Å; R29-V290 PolarHBondContact NH2-O 3.49Å; V30-V290 HydrophobicContact CG2-CG2 4.5Å; V32-V290 HydrophobicContact CG2-CG1 4.15Å; V276-V290 HydrophobicContact CG2-CG1 4.15Å; M285-V290 HydrophobicContact CE-CG2 3.91Å; P287-V290 WeakPolarHBondContact O-CB 3.44Å; P287-V290 PolarHBondContact O-N 3.18Å; V290-V293 HydrophobicContact CG1-CG2 3.65Å
291	G	98.4	Very high	98.6	Very high	16 Å²	16	25.6 Å²	25.6	17%	0.165	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	-118.2	179.1	0	0	0	0	0	111.2	V30	V30-G291 WeakPolarHBondContact O-CA 3.47Å; V30-G291 PolarHBondContact O-N 2.98Å
292	E	98.6	Very high	98.5	Very high	84 Å²	84	21.6 Å²	21.6	39%	0.393	13%	0.13	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	135.8	176.4	-62.2	-61.4	155.4	0	0	111.2	T31 V32 Y294 T356	T31-E292 CarbonylContact C-O 3.5Å; T31-E292 WeakPolarHBondContact CA-O 3.28Å; T31-E292 HydrophobicContact CG2-CB 4.26Å; V32-E292 PolarHBondContact N-O 2.59Å; E292-Y294 HydrophobicContact CB-CE1 3.98Å; E292-Y294 HydrophobicContact CB-CE2 4.06Å; E292-Y294 HydrophobicContact CG-CE1 4.43Å; E292-T356 WeakPolarHBondContact OE2-CB 3.25Å; E292-T356 PolarHBondContact OE2-OG1 3.43Å
293	V	98.8	Very high	98.3	Very high	6 Å²	6	21.7 Å²	21.7	4%	0.036	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	101.8	175.7	-173.4	0	0	0	0	108.1	V32 L34 V276 V290 F355 T356	V32-V293 HydrophobicContact CB-CG1 4.29Å; V32-V293 HydrophobicContact CB-CG2 4.36Å; V32-V293 HydrophobicContact CG2-CG2 4.4Å; L34-V293 HydrophobicContact CD1-CG1 3.95Å; L34-V293 HydrophobicContact CG-CG1 4.46Å; V276-V293 HydrophobicContact CG2-CG1 4.33Å; V276-V293 HydrophobicContact CG2-CG2 4.04Å; V290-V293 HydrophobicContact CG1-CG2 3.65Å; V293-F355 HydrophobicContact CG1-CD1 4.03Å; V293-F355 HydrophobicContact CG1-CE1 4.46Å; V293-F355 CarbonylContact O-C 3.5Å; V293-F355 VanDerWaalsContact O-CA 3.3Å; V293-F355 WeakPolarHBondContact O-CA 3.48Å; V293-T356 PolarHBondContact N-OG1 3.46Å; V293-T356 PolarHBondContact O-N 2.92Å; V293-T356 PolarHBondContact O-OG1 2.78Å
294	Y	98.9	Very high	97.7	Very high	19 Å²	19	25.1 Å²	25.1	8%	0.075	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	120.7	-177.8	-57.9	-49.3	0	0	0	111.4	T31 V32 V33 L34 L50 E292 A357 K441 W442	T31-Y294 HydrophobicContact CG2-CD2 3.8Å; T31-Y294 HydrophobicContact CG2-CE2 3.46Å; T31-Y294 VanDerWaalsContact CG2-CE2 3.46Å; V32-Y294 PolarHBondContact O-N 3.15Å; V33-Y294 HydrophobicContact CG2-CD2 4.47Å; L34-Y294 PolarHBondContact N-O 3.19Å; L50-Y294 HydrophobicContact CD1-CD2 3.82Å; L50-Y294 HydrophobicContact CD1-CE2 3.94Å; L50-Y294 HydrophobicContact CD2-CE2 4.38Å; E292-Y294 HydrophobicContact CB-CE1 3.98Å; E292-Y294 HydrophobicContact CB-CE2 4.06Å; E292-Y294 HydrophobicContact CG-CE1 4.43Å; Y294-A357 WeakPolarHBondContact CA-O 3.26Å; Y294-A357 HydrophobicContact CD1-CB 3.91Å; Y294-A357 HydrophobicContact CE1-CB 4Å; Y294-K441 HydrophobicContact CE1-CD 3.89Å; Y294-W442 HydrophobicContact CD1-CH2 4.41Å; Y294-W442 AromaticContact CD1-CZ3 3.78Å; Y294-W442 HydrophobicContact CD1-CZ3 3.78Å; Y294-W442 AromaticContact CD2-CH2 3.89Å; Y294-W442 HydrophobicContact CD2-CH2 3.89Å; Y294-W442 AromaticContact CD2-CZ3 3.71Å; Y294-W442 HydrophobicContact CD2-CZ3 3.71Å; Y294-W442 HydrophobicContact CE1-CH2 4.09Å; Y294-W442 AromaticContact CE1-CZ3 3.85Å; Y294-W442 HydrophobicContact CE1-CZ3 3.85Å; Y294-W442 AromaticContact CE2-CH2 3.51Å; Y294-W442 HydrophobicContact CE2-CH2 3.51Å; Y294-W442 AromaticContact CE2-CZ3 3.77Å; Y294-W442 HydrophobicContact CE2-CZ3 3.77Å; Y294-W442 HydrophobicContact CG-CH2 4.32Å; Y294-W442 AromaticContact CG-CZ3 3.7Å; Y294-W442 HydrophobicContact CG-CZ3 3.7Å; Y294-W442 AromaticContact CZ-CH2 3.61Å; Y294-W442 AromaticContact CZ-CZ3 3.84Å
295	G	98.8	Very high	97	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	114.7	172.5	0	0	0	0	0	110.8	F355 A357 L358 A359	G295-F355 VanDerWaalsContact CA-CD1 3.5Å; G295-A357 PolarHBondContact N-O 2.94Å; G295-L358 CarbonylContact O-C 3.47Å; G295-L358 VanDerWaalsContact O-CA 3.29Å; G295-L358 WeakPolarHBondContact O-CA 3.46Å; G295-A359 PolarHBondContact O-N 2.89Å
296	V	98.7	Very high	96.3	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	116.1	174.7	-169.9	0	0	0	0	108.8	V33 L34 A36 E41 K43 V46 A359 T361	V33-V296 HydrophobicContact CG1-CG2 3.46Å; V33-V296 VanDerWaalsContact CG1-CG2 3.46Å; L34-V296 PolarHBondContact O-N 3.4Å; A36-V296 WeakPolarHBondContact CB-O 3.42Å; A36-V296 PolarHBondContact N-O 3.2Å; E41-V296 HydrophobicContact CB-CB 4.28Å; E41-V296 HydrophobicContact CB-CG1 3.8Å; E41-V296 WeakPolarHBondContact O-CG1 3.22Å; K43-V296 HydrophobicContact CB-CG2 4.42Å; K43-V296 HydrophobicContact CG-CB 3.85Å; K43-V296 HydrophobicContact CG-CG1 4.23Å; K43-V296 HydrophobicContact CG-CG2 3.82Å; V46-V296 HydrophobicContact CB-CG2 4.35Å; V46-V296 HydrophobicContact CG2-CG1 4.33Å; V46-V296 HydrophobicContact CG2-CG2 4.04Å; V296-A359 HydrophobicContact CG2-CB 4.38Å; V296-T361 HydrophobicContact CG1-CG2 3.8Å
297	V	98.7	Very high	96	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.006	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	123.7	-174.2	179	0	0	0	0	107.6	A36 L341 L346 L358 A359 L360 T361	A36-V297 HydrophobicContact CB-CG2 3.69Å; V297-L341 HydrophobicContact CG1-CD1 4.09Å; V297-L346 HydrophobicContact CB-CD2 4.43Å; V297-L346 HydrophobicContact CG1-CD1 3.56Å; V297-L346 HydrophobicContact CG1-CD2 3.87Å; V297-L346 HydrophobicContact CG1-CG 4.39Å; V297-L346 HydrophobicContact CG2-CD2 3.81Å; V297-L358 HydrophobicContact CG2-CD1 4.4Å; V297-L358 HydrophobicContact CG2-CD2 4.07Å; V297-A359 PolarHBondContact N-O 3.35Å; V297-A359 VanDerWaalsContact O-O 3.11Å; V297-L360 HydrophobicContact CB-CD1 4.48Å; V297-L360 HydrophobicContact CG1-CD1 4.18Å; V297-L360 CarbonylContact O-C 3.59Å; V297-L360 VanDerWaalsContact O-CA 3.25Å; V297-L360 WeakPolarHBondContact O-CA 3.49Å; V297-T361 PolarHBondContact O-N 3.42Å; V297-T361 PolarHBondContact O-OG1 2.94Å
298	K	98.6	Very high	95.8	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	143.4	168.6	-173.7	161.2	57.8	-170.4	0	109.6	Q37 D40 E41 Y300 T302 E327 L341 T361 K362	Q37-K298 PolarHBondContact NE2-O 3.11Å; D40-K298 PolarHBondContact O-NZ 2.92Å; E41-K298 HydrophobicContact CB-CB 4.39Å; K298-Y300 CarbonylContact C-O 3.56Å; K298-Y300 VanDerWaalsContact CB-O 3.28Å; K298-Y300 WeakPolarHBondContact CB-O 3.36Å; K298-Y300 HydrophobicContact CD-CD1 4.44Å; K298-Y300 HydrophobicContact CD-CD2 4.42Å; K298-Y300 HydrophobicContact CD-CE1 3.91Å; K298-Y300 HydrophobicContact CD-CE2 3.9Å; K298-Y300 HydrophobicContact CG-CD1 3.99Å; K298-Y300 HydrophobicContact CG-CE1 3.83Å; K298-Y300 HydrophobicContact CG-CE2 4.43Å; K298-Y300 HydrophobicContact CG-CG 4.35Å; K298-Y300 WeakPolarHBondContact CG-O 3.45Å; K298-Y300 PolarHBondContact O-N 3.42Å; K298-T302 WeakPolarHBondContact CE-OG1 3.27Å; K298-T302 PolarHBondContact NZ-OG1 3.24Å; K298-E327 IonicContact NZ-OE1 3.4Å; K298-E327 PolarHBondContact NZ-OE1 2.8Å; K298-E327 IonicContact NZ-OE2 2.72Å; K298-E327 PolarHBondContact NZ-OE2 3.37Å; K298-L341 VanDerWaalsContact O-CD1 3.31Å; K298-L341 WeakPolarHBondContact O-CD1 3.48Å; K298-T361 WeakPolarHBondContact CA-OG1 3.16Å; K298-K362 HydrophobicContact CD-CB 4.42Å; K298-K362 HydrophobicContact CD-CD 3.81Å; K298-K362 HydrophobicContact CD-CG 4.26Å; K298-K362 HydrophobicContact CG-CB 4.13Å; K298-K362 HydrophobicContact CG-CD 4.4Å; K298-K362 HydrophobicContact CG-CG 4.38Å
299	A	98.7	Very high	95.8	Very high	1 Å²	1	14.8 Å²	14.8	1%	0.008	9%	0.086	C	C	.	.	S	Bend	trans	-62.3	-4.8	179.7	0	0	0	0	0	114.3	L360 T361 L363 L366 Y428	A299-L360 HydrophobicContact CB-CD1 4.05Å; A299-L360 HydrophobicContact CB-CG 4.48Å; A299-T361 WeakPolarHBondContact CB-O 3.44Å; A299-T361 PolarHBondContact N-O 3.07Å; A299-L363 HydrophobicContact CB-CD1 4.06Å; A299-L366 HydrophobicContact CB-CD1 3.9Å; A299-L366 HydrophobicContact CB-CG 4.4Å; A299-Y428 HydrophobicContact CB-CE1 4.25Å; A299-Y428 PolarHBondContact O-OH 3.44Å
300	Y	98.8	Very high	95.8	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	9%	0.092	C	C	.	.	S	Bend	trans	-147.6	171.7	170.8	59.8	-85	0	0	0	107.6	Q37 K298 T302 L321 G325 E327 G339 K362 I365 L366	Q37-Y300 PolarHBondContact NE2-O 2.99Å; K298-Y300 CarbonylContact C-O 3.56Å; K298-Y300 VanDerWaalsContact CB-O 3.28Å; K298-Y300 WeakPolarHBondContact CB-O 3.36Å; K298-Y300 HydrophobicContact CD-CD1 4.44Å; K298-Y300 HydrophobicContact CD-CD2 4.42Å; K298-Y300 HydrophobicContact CD-CE1 3.91Å; K298-Y300 HydrophobicContact CD-CE2 3.9Å; K298-Y300 HydrophobicContact CG-CD1 3.99Å; K298-Y300 HydrophobicContact CG-CE1 3.83Å; K298-Y300 HydrophobicContact CG-CE2 4.43Å; K298-Y300 HydrophobicContact CG-CG 4.35Å; K298-Y300 WeakPolarHBondContact CG-O 3.45Å; K298-Y300 PolarHBondContact O-N 3.42Å; Y300-T302 HydrophobicContact CD2-CG2 4Å; Y300-T302 HydrophobicContact CE2-CG2 3.6Å; Y300-L321 HydrophobicContact CD1-CD2 4.07Å; Y300-L321 HydrophobicContact CD2-CB 4.36Å; Y300-L321 HydrophobicContact CD2-CD1 4.38Å; Y300-L321 HydrophobicContact CD2-CD2 4.13Å; Y300-L321 HydrophobicContact CE2-CB 4.47Å; Y300-L321 HydrophobicContact CG-CD2 3.82Å; Y300-G325 WeakPolarHBondContact OH-CA 3.27Å; Y300-E327 HydrophobicContact CE2-CG 4.13Å; Y300-E327 PolarHBondContact OH-OE1 2.94Å; Y300-G339 WeakPolarHBondContact CB-O 3.45Å; Y300-K362 HydrophobicContact CE1-CB 4Å; Y300-K362 HydrophobicContact CE1-CD 4.35Å; Y300-K362 WeakPolarHBondContact OH-CD 3.15Å; Y300-I365 HydrophobicContact CD1-CB 4.38Å; Y300-I365 HydrophobicContact CD1-CG2 4.24Å; Y300-I365 HydrophobicContact CE1-CB 3.7Å; Y300-I365 HydrophobicContact CE1-CG1 3.93Å; Y300-I365 HydrophobicContact CE1-CG2 3.61Å; Y300-L366 HydrophobicContact CD1-CD2 4.37Å
301	T	98.7	Very high	95.8	Very high	2 Å²	2	14.9 Å²	14.9	1%	0.012	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	143.6	-173.5	-48	0	0	0	0	110.7	Q37 W38 F309 G339 W340	Q37-T301 PolarHBondContact NE2-OG1 3.28Å; W38-T301 HydrophobicContact CE3-CG2 3.77Å; W38-T301 HydrophobicContact CZ3-CG2 3.67Å; T301-F309 HydrophobicContact CG2-CD1 4.46Å; T301-F309 HydrophobicContact CG2-CE1 3.47Å; T301-F309 VanDerWaalsContact CG2-CE1 3.47Å; T301-F309 HydrophobicContact CG2-CZ 3.79Å; T301-F309 WeakPolarHBondContact O-CZ 3.26Å; T301-G339 PolarHBondContact N-O 3.05Å; T301-G339 PolarHBondContact O-N 3.39Å; T301-W340 VanDerWaalsContact CB-O 3.31Å; T301-W340 WeakPolarHBondContact CB-O 3.35Å; T301-W340 PolarHBondContact OG1-O 3.42Å
302	T	97.6	Very high	95.9	Very high	1 Å²	1	16.2 Å²	16.2	1%	0.006	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	154.5	170.5	60.4	0	0	0	0	111.4	K298 Y300 E327 R337	K298-T302 WeakPolarHBondContact CE-OG1 3.27Å; K298-T302 PolarHBondContact NZ-OG1 3.24Å; Y300-T302 HydrophobicContact CD2-CG2 4Å; Y300-T302 HydrophobicContact CE2-CG2 3.6Å; T302-E327 HydrophobicContact CG2-CB 4.49Å; T302-E327 HydrophobicContact CG2-CG 3.92Å; T302-R337 CarbonylContact C-O 3.46Å; T302-R337 WeakPolarHBondContact CA-O 3.43Å; T302-R337 WeakPolarHBondContact CB-O 3.49Å
303	R	94.1	Very high	95.8	Very high	3 Å²	3	13.8 Å²	13.8	1%	0.011	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	138.7	174.5	-173.9	174.4	170.1	131.9	16.1	110.9	W38 T265 I306 A308 F309 R337	W38-R303 HydrophobicContact CB-CB 4.45Å; W38-R303 HydrophobicContact CB-CG 4.32Å; W38-R303 HydrophobicContact CD2-CG 4.41Å; W38-R303 HydrophobicContact CG-CG 4.15Å; T265-R303 PolarHBondContact OG1-NH1 2.75Å; T265-R303 PolarHBondContact OG1-NH2 3.31Å; R303-I306 VanDerWaalsContact CZ-O 3.32Å; R303-I306 PolarHBondContact NE-O 2.73Å; R303-I306 VanDerWaalsContact NE-O 3.07Å; R303-I306 PolarHBondContact NH2-O 3.33Å; R303-A308 PolarHBondContact NH1-O 3.17Å; R303-F309 HydrophobicContact CB-CD2 4.04Å; R303-F309 HydrophobicContact CB-CE2 4.25Å; R303-R337 PolarHBondContact N-O 3.44Å; R303-R337 WeakPolarHBondContact O-CB 3.39Å; R303-R337 PolarHBondContact O-N 2.64Å
304	V	87.4	Confident	95.8	Very high	72 Å²	72	21.9 Å²	21.9	44%	0.436	12%	0.115	S	C	.	.			trans	-96.4	138.7	166.7	-179	0	0	0	0	108.4	R336	V304-R336 HydrophobicContact CG2-CG 3.93Å
305	G	82.3	Confident	95.7	Very high	9 Å²	9	23.6 Å²	23.6	9%	0.093	13%	0.126	C	C	.	.	S	Bend	trans	81.7	-174.9	178	0	0	0	0	0	113.8	R337	G305-R337 WeakPolarHBondContact O-CD 3.34Å; G305-R337 PolarHBondContact O-NH1 2.69Å
306	I	84.9	Confident	95.7	Very high	50 Å²	50	30 Å²	30	26%	0.256	16%	0.156	S	C	.	.	S	Bend	trans	-84.2	178.9	-177.6	67.1	167.6	0	0	0	111.3	K157 N158 F268 R303	K157-I306 HydrophobicContact CB-CD1 3.82Å; K157-I306 HydrophobicContact CD-CD1 4.29Å; K157-I306 HydrophobicContact CG-CD1 4.17Å; N158-I306 WeakPolarHBondContact O-CD1 3.24Å; N158-I306 WeakPolarHBondContact O-CG1 3.45Å; F268-I306 HydrophobicContact CD1-CD1 4.28Å; F268-I306 HydrophobicContact CD1-CG1 3.73Å; F268-I306 HydrophobicContact CE1-CD1 3.39Å; F268-I306 HydrophobicContact CE1-CG1 3.34Å; F268-I306 HydrophobicContact CE2-CG1 4.46Å; F268-I306 HydrophobicContact CG-CG1 4.48Å; F268-I306 HydrophobicContact CZ-CD1 3.58Å; F268-I306 HydrophobicContact CZ-CG1 3.74Å; R303-I306 VanDerWaalsContact CZ-O 3.32Å; R303-I306 PolarHBondContact NE-O 2.73Å; R303-I306 VanDerWaalsContact NE-O 3.07Å; R303-I306 PolarHBondContact NH2-O 3.33Å
307	G	90.6	Very high	95.6	Very high	12 Å²	12	31.7 Å²	31.7	12%	0.124	16%	0.164	C	C	.	.	S	Bend	trans	107.5	172.7	-179.2	0	0	0	0	0	113	R337	G307-R337 VanDerWaalsContact O-CZ 3.31Å; G307-R337 PolarHBondContact O-NH1 3.05Å; G307-R337 PolarHBondContact O-NH2 3.09Å
308	A	95.1	Very high	95.6	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.166	C	C	.	.			trans	-66.1	139.7	-167.1	0	0	0	0	0	110.8	R303 Q392 L395 N396	R303-A308 PolarHBondContact NH1-O 3.17Å; A308-Q392 VanDerWaalsContact N-CD 3.33Å; A308-L395 HydrophobicContact CB-CB 3.99Å; A308-L395 HydrophobicContact CB-CD2 3.64Å; A308-L395 HydrophobicContact CB-CG 3.6Å; A308-N396 WeakPolarHBondContact CA-OD1 3.13Å; A308-N396 WeakPolarHBondContact CB-OD1 3.33Å
309	F	98.1	Very high	95.6	Very high	13 Å²	13	38 Å²	38	6%	0.057	20%	0.195	C	C	.	.			trans	-144	87.2	174.1	-171.1	3.2	0	0	0	108.7	W38 T301 R303 T311 E312 R337	W38-F309 HydrophobicContact CH2-CD1 4.5Å; W38-F309 HydrophobicContact CZ3-CD1 4.15Å; W38-F309 HydrophobicContact CZ3-CE1 4.34Å; T301-F309 HydrophobicContact CG2-CD1 4.46Å; T301-F309 HydrophobicContact CG2-CE1 3.47Å; T301-F309 VanDerWaalsContact CG2-CE1 3.47Å; T301-F309 HydrophobicContact CG2-CZ 3.79Å; T301-F309 WeakPolarHBondContact O-CZ 3.26Å; R303-F309 HydrophobicContact CB-CD2 4.04Å; R303-F309 HydrophobicContact CB-CE2 4.25Å; F309-T311 VanDerWaalsContact C-N 3.27Å; F309-T311 WeakPolarHBondContact CE1-OG1 3.47Å; F309-T311 PolarHBondContact O-N 2.8Å; F309-E312 HydrophobicContact CB-CB 3.91Å; F309-E312 HydrophobicContact CD1-CB 4.32Å; F309-E312 HydrophobicContact CD2-CB 3.6Å; F309-E312 HydrophobicContact CD2-CG 3.84Å; F309-E312 HydrophobicContact CE2-CB 4.14Å; F309-E312 HydrophobicContact CE2-CG 4.26Å; F309-E312 HydrophobicContact CG-CB 3.7Å; F309-E312 HydrophobicContact CG-CG 4.42Å; F309-E312 VanDerWaalsContact O-CB 3.23Å; F309-E312 WeakPolarHBondContact O-CB 3.48Å; F309-E312 PolarHBondContact O-N 3.09Å; F309-R337 HydrophobicContact CD2-CB 3.87Å; F309-R337 HydrophobicContact CE2-CB 3.94Å
310	P	98.5	Very high	95.6	Very high	24 Å²	24	41 Å²	41	16%	0.156	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-34.2	-168.8	-32.7	42.3	0	0	0	114.7	Y378 L395 V398 V400	P310-Y378 HydrophobicContact CB-CE1 3.86Å; P310-Y378 HydrophobicContact CB-CE2 4.36Å; P310-Y378 VanDerWaalsContact CB-OH 3.28Å; P310-Y378 WeakPolarHBondContact CB-OH 3.46Å; P310-Y378 HydrophobicContact CG-CE1 4.45Å; P310-Y378 HydrophobicContact CG-CE2 4.1Å; P310-Y378 WeakPolarHBondContact CG-OH 3.49Å; P310-L395 HydrophobicContact CG-CD1 3.95Å; P310-L395 HydrophobicContact CG-CG 4.23Å; P310-V398 HydrophobicContact CB-CG2 3.75Å; P310-V398 HydrophobicContact CG-CG2 3.82Å; P310-V400 HydrophobicContact CB-CG2 3.53Å; P310-V400 VanDerWaalsContact O-CG2 3.25Å; P310-V400 WeakPolarHBondContact O-CG2 3.45Å
311	T	98.6	Very high	95.5	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.8	15.2	178.5	58.1	0	0	0	0	114.5	F309 G339 W340 D342 V400 Y402	F309-T311 VanDerWaalsContact C-N 3.27Å; F309-T311 WeakPolarHBondContact CE1-OG1 3.47Å; F309-T311 PolarHBondContact O-N 2.8Å; T311-G339 CarbonylContact O-C 3.54Å; T311-G339 WeakPolarHBondContact O-CA 3.41Å; T311-W340 WeakPolarHBondContact CB-O 3.36Å; T311-W340 PolarHBondContact O-N 3.44Å; T311-W340 PolarHBondContact OG1-O 3.16Å; T311-D342 HydrophobicContact CG2-CB 3.83Å; T311-D342 WeakPolarHBondContact CG2-OD2 3.49Å; T311-V400 HydrophobicContact CG2-CG1 4.02Å; T311-V400 HydrophobicContact CG2-CG2 4.29Å; T311-Y402 WeakPolarHBondContact CA-OH 3.43Å; T311-Y402 HydrophobicContact CG2-CE1 3.97Å
312	E	98.6	Very high	95.5	Very high	44 Å²	44	41.9 Å²	41.9	21%	0.206	22%	0.215	C	C	.	.	B	Isolated β-bridge	trans	-59.3	139.7	178.8	-173.2	164	-147.8	0	0	112.2	F309 E314 R337	F309-E312 HydrophobicContact CB-CB 3.91Å; F309-E312 HydrophobicContact CD1-CB 4.32Å; F309-E312 HydrophobicContact CD2-CB 3.6Å; F309-E312 HydrophobicContact CD2-CG 3.84Å; F309-E312 HydrophobicContact CE2-CB 4.14Å; F309-E312 HydrophobicContact CE2-CG 4.26Å; F309-E312 HydrophobicContact CG-CB 3.7Å; F309-E312 HydrophobicContact CG-CG 4.42Å; F309-E312 VanDerWaalsContact O-CB 3.23Å; F309-E312 WeakPolarHBondContact O-CB 3.48Å; F309-E312 PolarHBondContact O-N 3.09Å; E312-E314 HydrophobicContact CG-CG 4.02Å; E312-R337 VanDerWaalsContact CD-NE 3.27Å; E312-R337 WeakPolarHBondContact OE1-CB 3.44Å; E312-R337 WeakPolarHBondContact OE1-CD 3.5Å; E312-R337 WeakPolarHBondContact OE1-CG 3.28Å; E312-R337 IonicContact OE1-CZ 3.82Å; E312-R337 IonicContact OE1-NE 2.83Å; E312-R337 PolarHBondContact OE1-NE 3.23Å; E312-R337 IonicContact OE1-NH2 2.84Å; E312-R337 IonicContact OE2-CZ 3.79Å; E312-R337 VanDerWaalsContact OE2-CZ 3.28Å; E312-R337 IonicContact OE2-NE 2.83Å; E312-R337 PolarHBondContact OE2-NE 3.17Å; E312-R337 VanDerWaalsContact OE2-NE 3.13Å; E312-R337 IonicContact OE2-NH2 2.6Å; E312-R337 PolarHBondContact OE2-NH2 2.9Å
313	Q	98.4	Very high	95.4	Very high	33 Å²	33	46.1 Å²	46.1	15%	0.154	24%	0.241	C	C	.	.			trans	-116.7	89.4	179.2	-69.4	-56.9	141.4	0	0	109.4	N315 I317 G318 C338 W340	Q313-N315 WeakPolarHBondContact CB-OD1 3.46Å; Q313-N315 PolarHBondContact NE2-ND2 3.36Å; Q313-N315 PolarHBondContact NE2-OD1 3.07Å; Q313-N315 VanDerWaalsContact NE2-OD1 3.16Å; Q313-N315 PolarHBondContact O-N 3.46Å; Q313-I317 HydrophobicContact CB-CB 4.32Å; Q313-I317 HydrophobicContact CB-CG2 4.13Å; Q313-I317 HydrophobicContact CG-CB 4.42Å; Q313-I317 HydrophobicContact CG-CG2 3.9Å; Q313-G318 WeakPolarHBondContact O-CA 3.39Å; Q313-C338 PolarHBondContact N-O 3.07Å; Q313-W340 HydrophobicContact CG-CG 4.35Å
314	E	96.9	Very high	95.5	Very high	175 Å²	175	49.8 Å²	49.8	82%	0.818	26%	0.255	S	S	*	.			trans	-80.2	52.4	173.1	-60.9	-168.3	156.3	0	0	111.3	E312	E312-E314 HydrophobicContact CG-CG 4.02Å
315	N	97.9	Very high	95.9	Very high	56 Å²	56	46.7 Å²	46.7	30%	0.299	24%	0.237	S	C	.	.	S	Bend	trans	-154.9	-172.2	-176.7	65.8	3.8	0	0	0	111.1	Q313 I317 G318 E319	Q313-N315 WeakPolarHBondContact CB-OD1 3.46Å; Q313-N315 PolarHBondContact NE2-ND2 3.36Å; Q313-N315 PolarHBondContact NE2-OD1 3.07Å; Q313-N315 VanDerWaalsContact NE2-OD1 3.16Å; Q313-N315 PolarHBondContact O-N 3.46Å; N315-I317 PolarHBondContact O-N 3.31Å; N315-I317 VanDerWaalsContact O-N 3.11Å; N315-I317 WeakPolarHBondContact OD1-CB 3.26Å; N315-I317 PolarHBondContact OD1-N 2.82Å; N315-G318 PolarHBondContact O-N 3.26Å; N315-E319 PolarHBondContact O-N 3.09Å; N315-E319 VanDerWaalsContact O-N 3.16Å
316	E	97.9	Very high	96.5	Very high	135 Å²	135	54.1 Å²	54.1	63%	0.631	26%	0.262	S	S	*	.	H	α-helix	trans	-57.2	-28.8	-175.3	66.3	-77.3	178.1	0	0	113.8	L320	E316-L320 WeakPolarHBondContact O-CB 3.42Å; E316-L320 PolarHBondContact O-N 2.97Å
317	I	98.3	Very high	96.9	Very high	34 Å²	34	51.7 Å²	51.7	17%	0.174	25%	0.25	C	S	.	.	H	α-helix	trans	-64.2	-49.2	174.9	-69.4	157.8	0	0	0	110.2	Q313 N315 E319 L320 L321 W340 F369	Q313-I317 HydrophobicContact CB-CB 4.32Å; Q313-I317 HydrophobicContact CB-CG2 4.13Å; Q313-I317 HydrophobicContact CG-CB 4.42Å; Q313-I317 HydrophobicContact CG-CG2 3.9Å; N315-I317 PolarHBondContact O-N 3.31Å; N315-I317 VanDerWaalsContact O-N 3.11Å; N315-I317 WeakPolarHBondContact OD1-CB 3.26Å; N315-I317 PolarHBondContact OD1-N 2.82Å; I317-E319 VanDerWaalsContact C-N 3.32Å; I317-E319 PolarHBondContact O-N 3.43Å; I317-L320 PolarHBondContact O-N 3.23Å; I317-L321 HydrophobicContact CG2-CD1 4.13Å; I317-L321 WeakPolarHBondContact O-CG 3.4Å; I317-L321 PolarHBondContact O-N 2.88Å; I317-W340 HydrophobicContact CB-CZ2 4.33Å; I317-W340 HydrophobicContact CD1-CZ2 3.83Å; I317-W340 HydrophobicContact CG1-CZ2 4.11Å; I317-W340 HydrophobicContact CG2-CD2 4.36Å; I317-W340 HydrophobicContact CG2-CH2 3.69Å; I317-W340 HydrophobicContact CG2-CZ2 3.32Å; I317-W340 HydrophobicContact CG2-CZ3 4.31Å; I317-F369 HydrophobicContact CB-CE1 4.44Å; I317-F369 HydrophobicContact CG1-CE1 4.32Å; I317-F369 HydrophobicContact CG2-CE1 3.95Å; I317-F369 HydrophobicContact CG2-CZ 4.36Å
318	G	98.1	Very high	96.7	Very high	5 Å²	5	54.7 Å²	54.7	5%	0.052	26%	0.26	C	S	.	.	H	α-helix	trans	-64.8	-37.9	-179.9	0	0	0	0	0	112.2	Q313 N315 Q322	Q313-G318 WeakPolarHBondContact O-CA 3.39Å; N315-G318 PolarHBondContact O-N 3.26Å; G318-Q322 VanDerWaalsContact O-CB 3.28Å; G318-Q322 WeakPolarHBondContact O-CB 3.5Å; G318-Q322 PolarHBondContact O-N 3.47Å
319	E	97.8	Very high	95.9	Very high	128 Å²	128	55.4 Å²	55.4	60%	0.598	27%	0.267	S	S	*	.	H	α-helix	trans	-64.1	-41	174.1	-65.5	-175.2	167.8	0	0	112.3	N315 I317 Q322 T323	N315-E319 PolarHBondContact O-N 3.09Å; N315-E319 VanDerWaalsContact O-N 3.16Å; I317-E319 VanDerWaalsContact C-N 3.32Å; I317-E319 PolarHBondContact O-N 3.43Å; E319-Q322 PolarHBondContact O-N 3.3Å; E319-T323 VanDerWaalsContact O-CB 3.31Å; E319-T323 WeakPolarHBondContact O-CB 3.39Å; E319-T323 PolarHBondContact O-N 3.29Å; E319-T323 PolarHBondContact O-OG1 2.84Å
320	L	98.1	Very high	94.5	Very high	65 Å²	65	60.7 Å²	60.7	34%	0.34	30%	0.3	S	S	.	.	H	α-helix	trans	-65.7	-46.4	176.8	-177.5	59.3	0	0	0	111.6	E316 I317 Q322 T323 R324 F369	E316-L320 WeakPolarHBondContact O-CB 3.42Å; E316-L320 PolarHBondContact O-N 2.97Å; I317-L320 PolarHBondContact O-N 3.23Å; L320-Q322 VanDerWaalsContact C-N 3.34Å; L320-Q322 PolarHBondContact O-N 3.1Å; L320-T323 PolarHBondContact O-N 3.33Å; L320-R324 HydrophobicContact CD1-CG 3.93Å; L320-R324 WeakPolarHBondContact O-CB 3.28Å; L320-R324 PolarHBondContact O-N 3.47Å; L320-F369 HydrophobicContact CB-CZ 4.18Å; L320-F369 HydrophobicContact CD2-CD2 4.47Å; L320-F369 HydrophobicContact CD2-CE1 3.98Å; L320-F369 HydrophobicContact CD2-CE2 3.84Å; L320-F369 HydrophobicContact CD2-CZ 3.57Å; L320-F369 HydrophobicContact CG-CE2 4.12Å; L320-F369 HydrophobicContact CG-CZ 3.91Å
321	L	98.4	Very high	92.8	Very high	0 Å²	0	65.1 Å²	65.1	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-57.6	-47.1	174.2	-72.3	172.6	0	0	0	111.1	Y300 I317 T323 G325 C338 I365 L366 F369	Y300-L321 HydrophobicContact CD1-CD2 4.07Å; Y300-L321 HydrophobicContact CD2-CB 4.36Å; Y300-L321 HydrophobicContact CD2-CD1 4.38Å; Y300-L321 HydrophobicContact CD2-CD2 4.13Å; Y300-L321 HydrophobicContact CE2-CB 4.47Å; Y300-L321 HydrophobicContact CG-CD2 3.82Å; I317-L321 HydrophobicContact CG2-CD1 4.13Å; I317-L321 WeakPolarHBondContact O-CG 3.4Å; I317-L321 PolarHBondContact O-N 2.88Å; L321-T323 PolarHBondContact O-N 2.96Å; L321-G325 WeakPolarHBondContact O-CA 3.48Å; L321-G325 PolarHBondContact O-N 3.47Å; L321-C338 HydrophobicContact CB-CB 3.95Å; L321-C338 HydrophobicContact CD1-CB 4.45Å; L321-I365 HydrophobicContact CD2-CG2 4.17Å; L321-L366 HydrophobicContact CD2-CD2 3.76Å; L321-F369 HydrophobicContact CD2-CE2 3.91Å; L321-F369 HydrophobicContact CD2-CZ 3.94Å; L321-F369 HydrophobicContact CG-CE2 4.44Å; L321-F369 HydrophobicContact CG-CZ 3.99Å
322	Q	97.3	Very high	91.4	Very high	20 Å²	20	70.4 Å²	70.4	9%	0.093	36%	0.359	C	S	.	.	H	α-helix	trans	-60.3	-46.6	178.8	-177.5	-173.6	92.3	0	0	111.7	G318 E319 L320 R326 E327 F328 R336	G318-Q322 VanDerWaalsContact O-CB 3.28Å; G318-Q322 WeakPolarHBondContact O-CB 3.5Å; G318-Q322 PolarHBondContact O-N 3.47Å; E319-Q322 PolarHBondContact O-N 3.3Å; L320-Q322 VanDerWaalsContact C-N 3.34Å; L320-Q322 PolarHBondContact O-N 3.1Å; Q322-R326 WeakPolarHBondContact O-CA 3.49Å; Q322-R326 PolarHBondContact O-N 3.03Å; Q322-E327 HydrophobicContact CG-CB 4.19Å; Q322-E327 PolarHBondContact O-N 2.94Å; Q322-F328 HydrophobicContact CG-CE1 3.84Å; Q322-F328 HydrophobicContact CG-CZ 4.29Å; Q322-R336 PolarHBondContact NE2-O 2.93Å
323	T	96.8	Very high	90.3	Very high	90 Å²	90	70.8 Å²	70.8	55%	0.552	38%	0.375	S	S	*	.	H	α-helix	trans	-68.8	-51.7	-175.2	-60	0	0	0	0	111.4	E319 L320 L321 R326	E319-T323 VanDerWaalsContact O-CB 3.31Å; E319-T323 WeakPolarHBondContact O-CB 3.39Å; E319-T323 PolarHBondContact O-N 3.29Å; E319-T323 PolarHBondContact O-OG1 2.84Å; L320-T323 PolarHBondContact O-N 3.33Å; L321-T323 PolarHBondContact O-N 2.96Å; T323-R326 PolarHBondContact O-N 3.29Å
324	R	96.4	Very high	89.4	Confident	81 Å²	81	75 Å²	75	31%	0.306	39%	0.39	S	S	.	.	H	α-helix	trans	-65.4	-44.8	179.2	-71.6	-175.9	63.1	73.1	2.2	111.3	L320 R326 D364 I365 M368	L320-R324 HydrophobicContact CD1-CG 3.93Å; L320-R324 WeakPolarHBondContact O-CB 3.28Å; L320-R324 PolarHBondContact O-N 3.47Å; R324-R326 PolarHBondContact O-N 2.95Å; R324-D364 PolarHBondContact NH2-O 3.42Å; R324-I365 HydrophobicContact CB-CD1 4.18Å; R324-I365 HydrophobicContact CB-CG2 3.85Å; R324-I365 PolarHBondContact NE-O 2.85Å; R324-I365 WeakPolarHBondContact O-CD1 3.42Å; R324-M368 VanDerWaalsContact CZ-CG 3.48Å
325	G	95.6	Very high	89.1	Confident	7 Å²	7	73.1 Å²	73.1	7%	0.072	38%	0.379	C	S	.	.	H	α-helix	trans	-71.3	-9	179.8	0	0	0	0	0	115.1	Y300 L321 E327 K362	Y300-G325 WeakPolarHBondContact OH-CA 3.27Å; L321-G325 WeakPolarHBondContact O-CA 3.48Å; L321-G325 PolarHBondContact O-N 3.47Å; G325-E327 VanDerWaalsContact C-N 3.31Å; G325-E327 PolarHBondContact O-N 2.86Å; G325-K362 PolarHBondContact O-NZ 2.97Å
326	R	94	Very high	88.9	Confident	164 Å²	164	71.8 Å²	71.8	62%	0.619	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.6	51.8	-169.8	-59.7	-169.5	-176.2	166.9	3.2	112.1	Q322 T323 R324 F328 K447	Q322-R326 WeakPolarHBondContact O-CA 3.49Å; Q322-R326 PolarHBondContact O-N 3.03Å; T323-R326 PolarHBondContact O-N 3.29Å; R324-R326 PolarHBondContact O-N 2.95Å; R326-F328 VanDerWaalsContact C-CD2 3.42Å; R326-F328 VanDerWaalsContact C-N 3.27Å; R326-F328 VanDerWaalsContact CA-CE2 3.5Å; R326-F328 HydrophobicContact CB-CD2 4.19Å; R326-F328 HydrophobicContact CB-CE2 4.06Å; R326-F328 PolarHBondContact O-N 2.85Å; R326-K447 VanDerWaalsContact NH1-NZ 3.15Å
327	E	93.6	Very high	88.8	Confident	0 Å²	0	68 Å²	68	0%	0	35%	0.35	C	S	.	.			trans	-83.4	73.3	-172.1	-61.6	-66.8	-178.4	0	0	111.6	K298 Y300 T302 Q322 G325 R336 K362	K298-E327 IonicContact NZ-OE1 3.4Å; K298-E327 PolarHBondContact NZ-OE1 2.8Å; K298-E327 IonicContact NZ-OE2 2.72Å; K298-E327 PolarHBondContact NZ-OE2 3.37Å; Y300-E327 HydrophobicContact CE2-CG 4.13Å; Y300-E327 PolarHBondContact OH-OE1 2.94Å; T302-E327 HydrophobicContact CG2-CB 4.49Å; T302-E327 HydrophobicContact CG2-CG 3.92Å; Q322-E327 HydrophobicContact CG-CB 4.19Å; Q322-E327 PolarHBondContact O-N 2.94Å; G325-E327 VanDerWaalsContact C-N 3.31Å; G325-E327 PolarHBondContact O-N 2.86Å; E327-R336 HydrophobicContact CB-CB 4.03Å; E327-R336 HydrophobicContact CB-CG 4.26Å; E327-R336 WeakPolarHBondContact O-CG 3.3Å; E327-R336 PolarHBondContact O-N 3.4Å; E327-R336 WeakPolarHBondContact OE2-CD 3.3Å; E327-R336 IonicContact OE2-CZ 2.72Å; E327-R336 IonicContact OE2-NE 3.13Å; E327-R336 IonicContact OE2-NH1 2.66Å; E327-R336 PolarHBondContact OE2-NH1 3.43Å; E327-K362 IonicContact OE1-NZ 3.69Å; E327-K362 PolarHBondContact OE1-NZ 3.49Å; E327-K362 IonicContact OE2-NZ 3.81Å
328	F	86.6	Confident	88.8	Confident	74 Å²	74	66.7 Å²	66.7	33%	0.325	34%	0.343	S	S	.	.	B	Isolated β-bridge	trans	-131.5	143.3	177.7	-38.2	-76.2	0	0	0	109.2	Q322 R326 V330 R334 K335	Q322-F328 HydrophobicContact CG-CE1 3.84Å; Q322-F328 HydrophobicContact CG-CZ 4.29Å; R326-F328 VanDerWaalsContact C-CD2 3.42Å; R326-F328 VanDerWaalsContact C-N 3.27Å; R326-F328 VanDerWaalsContact CA-CE2 3.5Å; R326-F328 HydrophobicContact CB-CD2 4.19Å; R326-F328 HydrophobicContact CB-CE2 4.06Å; R326-F328 PolarHBondContact O-N 2.85Å; F328-V330 PolarHBondContact O-N 3.32Å; F328-R334 WeakPolarHBondContact CA-O 3.49Å; F328-K335 HydrophobicContact CD1-CG 3.86Å; F328-K335 HydrophobicContact CE1-CG 4Å
329	G	78.1	Confident	88.8	Confident	15 Å²	15	66.4 Å²	66.4	16%	0.155	34%	0.341	C	S	.	.			trans	-63.5	125.7	173.6	0	0	0	0	0	111.2	T331 T332 G333 R334	G329-T331 VanDerWaalsContact C-N 3.29Å; G329-T331 PolarHBondContact O-N 3.43Å; G329-T332 PolarHBondContact O-N 3.44Å; G329-G333 VanDerWaalsContact O-CA 3.31Å; G329-G333 WeakPolarHBondContact O-CA 3.38Å; G329-G333 PolarHBondContact O-N 3.25Å; G329-R334 PolarHBondContact N-O 2.86Å
330	V	68.3	Low	88.9	Confident	124 Å²	124	60.7 Å²	60.7	75%	0.752	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-36.3	-176.9	-69	0	0	0	0	113.3	F328	F328-V330 PolarHBondContact O-N 3.32Å
331	T	63.4	Low	88.9	Confident	118 Å²	118	57.6 Å²	57.6	72%	0.724	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.8	-32.7	-179.3	-41.9	0	0	0	0	113	G329	G329-T331 VanDerWaalsContact C-N 3.29Å; G329-T331 PolarHBondContact O-N 3.43Å
332	T	69.3	Low	88.9	Confident	110 Å²	110	57.7 Å²	57.7	68%	0.675	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.2	-16.4	-169.6	61	0	0	0	0	114	G329 R334	G329-T332 PolarHBondContact O-N 3.44Å; T332-R334 PolarHBondContact O-N 3.12Å; T332-R334 VanDerWaalsContact O-N 3.13Å; T332-R334 PolarHBondContact OG1-N 2.98Å
333	G	75.6	Confident	89	Confident	53 Å²	53	57 Å²	57	55%	0.546	30%	0.295	S	S	.	.			trans	67.3	1.1	-171	0	0	0	0	0	114.5	G329 K335	G329-G333 VanDerWaalsContact O-CA 3.31Å; G329-G333 WeakPolarHBondContact O-CA 3.38Å; G329-G333 PolarHBondContact O-N 3.25Å; G333-K335 PolarHBondContact O-N 2.89Å
334	R	79.1	Confident	89.1	Confident	122 Å²	122	53.8 Å²	53.8	46%	0.46	28%	0.275	S	S	.	.	P	Polyproline II helix	trans	-66.3	126	-175.6	-171.5	177.9	179.2	178.6	2.3	110.4	F328 G329 T332	F328-R334 WeakPolarHBondContact CA-O 3.49Å; G329-R334 PolarHBondContact N-O 2.86Å; T332-R334 PolarHBondContact O-N 3.12Å; T332-R334 VanDerWaalsContact O-N 3.13Å; T332-R334 PolarHBondContact OG1-N 2.98Å
335	K	89.8	Confident	89.2	Confident	135 Å²	135	50.1 Å²	50.1	59%	0.587	26%	0.262	S	S	*	.	B	Isolated β-bridge	trans	-57.1	135.1	171.1	-80.2	-177	172	-154.2	0	111.1	F328 G333	F328-K335 HydrophobicContact CD1-CG 3.86Å; F328-K335 HydrophobicContact CE1-CG 4Å; G333-K335 PolarHBondContact O-N 2.89Å
336	R	93.5	Very high	89.4	Confident	28 Å²	28	50 Å²	50	11%	0.106	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-89.5	147	172.8	-51.7	-179.2	177.1	163.5	-13.1	109.8	D40 V304 Q322 E327	D40-R336 IonicContact OD1-CZ 3.28Å; D40-R336 IonicContact OD1-NH1 2.65Å; D40-R336 PolarHBondContact OD1-NH1 3.42Å; D40-R336 IonicContact OD1-NH2 3.8Å; D40-R336 PolarHBondContact OD1-NH2 2.82Å; D40-R336 IonicContact OD2-CZ 2.78Å; D40-R336 IonicContact OD2-NE 3.97Å; D40-R336 PolarHBondContact OD2-NE 3.03Å; D40-R336 IonicContact OD2-NH1 3.66Å; D40-R336 IonicContact OD2-NH2 3.76Å; D40-R336 PolarHBondContact OD2-NH2 2.85Å; D40-R336 VanDerWaalsContact OD2-NH2 3.16Å; V304-R336 HydrophobicContact CG2-CG 3.93Å; Q322-R336 PolarHBondContact NE2-O 2.93Å; E327-R336 HydrophobicContact CB-CB 4.03Å; E327-R336 HydrophobicContact CB-CG 4.26Å; E327-R336 WeakPolarHBondContact O-CG 3.3Å; E327-R336 PolarHBondContact O-N 3.4Å; E327-R336 WeakPolarHBondContact OE2-CD 3.3Å; E327-R336 IonicContact OE2-CZ 2.72Å; E327-R336 IonicContact OE2-NE 3.13Å; E327-R336 IonicContact OE2-NH1 2.66Å; E327-R336 PolarHBondContact OE2-NH1 3.43Å
337	R	96.5	Very high	89.6	Confident	56 Å²	56	45.7 Å²	45.7	21%	0.211	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	136.6	168.7	-67	163.8	64.1	-160.5	4.5	107.9	T302 R303 G305 G307 F309 E312	T302-R337 CarbonylContact C-O 3.46Å; T302-R337 WeakPolarHBondContact CA-O 3.43Å; T302-R337 WeakPolarHBondContact CB-O 3.49Å; R303-R337 PolarHBondContact N-O 3.44Å; R303-R337 WeakPolarHBondContact O-CB 3.39Å; R303-R337 PolarHBondContact O-N 2.64Å; G305-R337 WeakPolarHBondContact O-CD 3.34Å; G305-R337 PolarHBondContact O-NH1 2.69Å; G307-R337 VanDerWaalsContact O-CZ 3.31Å; G307-R337 PolarHBondContact O-NH1 3.05Å; G307-R337 PolarHBondContact O-NH2 3.09Å; F309-R337 HydrophobicContact CD2-CB 3.87Å; F309-R337 HydrophobicContact CE2-CB 3.94Å; E312-R337 VanDerWaalsContact CD-NE 3.27Å; E312-R337 WeakPolarHBondContact OE1-CB 3.44Å; E312-R337 WeakPolarHBondContact OE1-CD 3.5Å; E312-R337 WeakPolarHBondContact OE1-CG 3.28Å; E312-R337 IonicContact OE1-CZ 3.82Å; E312-R337 IonicContact OE1-NE 2.83Å; E312-R337 PolarHBondContact OE1-NE 3.23Å; E312-R337 IonicContact OE1-NH2 2.84Å; E312-R337 IonicContact OE2-CZ 3.79Å; E312-R337 VanDerWaalsContact OE2-CZ 3.28Å; E312-R337 IonicContact OE2-NE 2.83Å; E312-R337 PolarHBondContact OE2-NE 3.17Å; E312-R337 VanDerWaalsContact OE2-NE 3.13Å; E312-R337 IonicContact OE2-NH2 2.6Å; E312-R337 PolarHBondContact OE2-NH2 2.9Å
338	C	98.5	Very high	89.8	Confident	5 Å²	5	48.3 Å²	48.3	3%	0.034	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	146.2	-175.7	-63.6	0	0	0	0	110.2	Q313 L321	Q313-C338 PolarHBondContact N-O 3.07Å; L321-C338 HydrophobicContact CB-CB 3.95Å; L321-C338 HydrophobicContact CD1-CB 4.45Å
339	G	98.7	Very high	90.4	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.7	171.4	-175.3	0	0	0	0	0	112	Y300 T301 T311	Y300-G339 WeakPolarHBondContact CB-O 3.45Å; T301-G339 PolarHBondContact N-O 3.05Å; T301-G339 PolarHBondContact O-N 3.39Å; T311-G339 CarbonylContact O-C 3.54Å; T311-G339 WeakPolarHBondContact O-CA 3.41Å
340	W	98.9	Very high	91.4	Very high	7 Å²	7	46.2 Å²	46.2	3%	0.027	24%	0.242	C	C	.	.			trans	-64.7	162.5	178.1	-69.3	123.7	0	0	0	112.5	T301 T311 Q313 I317 D342 F369 I372 K373 Y402	T301-W340 VanDerWaalsContact CB-O 3.31Å; T301-W340 WeakPolarHBondContact CB-O 3.35Å; T301-W340 PolarHBondContact OG1-O 3.42Å; T311-W340 WeakPolarHBondContact CB-O 3.36Å; T311-W340 PolarHBondContact O-N 3.44Å; T311-W340 PolarHBondContact OG1-O 3.16Å; Q313-W340 HydrophobicContact CG-CG 4.35Å; I317-W340 HydrophobicContact CB-CZ2 4.33Å; I317-W340 HydrophobicContact CD1-CZ2 3.83Å; I317-W340 HydrophobicContact CG1-CZ2 4.11Å; I317-W340 HydrophobicContact CG2-CD2 4.36Å; I317-W340 HydrophobicContact CG2-CH2 3.69Å; I317-W340 HydrophobicContact CG2-CZ2 3.32Å; I317-W340 HydrophobicContact CG2-CZ3 4.31Å; W340-D342 PolarHBondContact O-N 3.46Å; W340-F369 AromaticContact CH2-CD1 3.55Å; W340-F369 HydrophobicContact CH2-CD1 3.55Å; W340-F369 AromaticContact CH2-CE1 3.54Å; W340-F369 HydrophobicContact CH2-CE1 3.54Å; W340-F369 HydrophobicContact CH2-CG 4.33Å; W340-F369 HydrophobicContact CH2-CZ 4.31Å; W340-F369 HydrophobicContact CZ2-CE1 4.37Å; W340-F369 HydrophobicContact CZ3-CD1 4.26Å; W340-F369 HydrophobicContact CZ3-CE1 4.2Å; W340-I372 HydrophobicContact CE3-CG2 4.18Å; W340-I372 HydrophobicContact CZ3-CG2 3.92Å; W340-K373 WeakPolarHBondContact CB-O 3.41Å; W340-K373 HydrophobicContact CD2-CB 4.09Å; W340-K373 HydrophobicContact CG-CB 3.99Å; W340-Y402 HydrophobicContact CB-CE1 4.09Å; W340-Y402 AromaticContact CD1-CE1 3.94Å; W340-Y402 HydrophobicContact CG-CE1 4.35Å
341	L	98.9	Very high	92.9	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	136.5	171.4	-172.8	65.2	0	0	0	109.8	V297 K298 L343 L346 V374 G375 Y428 I432	V297-L341 HydrophobicContact CG1-CD1 4.09Å; K298-L341 VanDerWaalsContact O-CD1 3.31Å; K298-L341 WeakPolarHBondContact O-CD1 3.48Å; L341-L343 HydrophobicContact CD2-CD2 3.81Å; L341-L343 HydrophobicContact CG-CD2 4.12Å; L341-L346 HydrophobicContact CD1-CD1 3.66Å; L341-L346 HydrophobicContact CG-CD1 4.18Å; L341-V374 HydrophobicContact CB-CG1 4.18Å; L341-V374 HydrophobicContact CB-CG2 4.43Å; L341-V374 HydrophobicContact CD2-CG1 4.27Å; L341-V374 HydrophobicContact CG-CG1 4.34Å; L341-G375 PolarHBondContact O-N 3.26Å; L341-Y428 WeakPolarHBondContact CB-OH 3.49Å; L341-Y428 HydrophobicContact CD2-CE1 4.47Å; L341-Y428 VanDerWaalsContact CD2-OH 3.26Å; L341-Y428 WeakPolarHBondContact CD2-OH 3.39Å; L341-I432 HydrophobicContact CD2-CD1 3.55Å; L341-I432 HydrophobicContact CD2-CG1 3.75Å
342	D	98.9	Very high	94.5	Very high	2 Å²	2	42.9 Å²	42.9	1%	0.011	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	104.8	-179.7	-167.9	-46.4	0	0	0	110.3	T311 W340 V344 L345 L346 Y378	T311-D342 HydrophobicContact CG2-CB 3.83Å; T311-D342 WeakPolarHBondContact CG2-OD2 3.49Å; W340-D342 PolarHBondContact O-N 3.46Å; D342-V344 VanDerWaalsContact C-N 3.34Å; D342-V344 WeakPolarHBondContact OD1-CA 3.37Å; D342-V344 WeakPolarHBondContact OD1-CB 3.38Å; D342-V344 PolarHBondContact OD1-N 3.4Å; D342-L345 HydrophobicContact CB-CB 4.33Å; D342-L345 HydrophobicContact CB-CD1 4.03Å; D342-L345 HydrophobicContact CB-CG 4.49Å; D342-L345 PolarHBondContact OD1-N 2.98Å; D342-L346 VanDerWaalsContact O-CG 3.28Å; D342-L346 WeakPolarHBondContact O-CG 3.48Å; D342-L346 PolarHBondContact O-N 3.34Å; D342-Y378 WeakPolarHBondContact OD2-CE1 3.25Å; D342-Y378 PolarHBondContact OD2-OH 2.93Å
343	L	98.8	Very high	95.9	Very high	7 Å²	7	37.9 Å²	37.9	4%	0.037	18%	0.182	C	C	.	.	H	α-helix	trans	-77.3	-21.6	-179.4	-60.1	-173.8	0	0	0	112.7	L341 L346 K347 V374 G375 V376 F431 I432 E435	L341-L343 HydrophobicContact CD2-CD2 3.81Å; L341-L343 HydrophobicContact CG-CD2 4.12Å; L343-L346 HydrophobicContact CD2-CD1 3.9Å; L343-L346 PolarHBondContact O-N 3.27Å; L343-K347 VanDerWaalsContact O-CB 3.27Å; L343-K347 WeakPolarHBondContact O-CB 3.42Å; L343-K347 PolarHBondContact O-N 2.83Å; L343-V374 HydrophobicContact CD1-CG1 3.76Å; L343-V374 HydrophobicContact CD2-CG1 4.17Å; L343-V374 HydrophobicContact CG-CG1 3.54Å; L343-G375 WeakPolarHBondContact CB-O 3.46Å; L343-G375 PolarHBondContact N-O 3.08Å; L343-V376 HydrophobicContact CD1-CG1 4.36Å; L343-F431 HydrophobicContact CD1-CD1 4.21Å; L343-F431 HydrophobicContact CD1-CE1 3.63Å; L343-F431 HydrophobicContact CD1-CZ 4.26Å; L343-I432 HydrophobicContact CD2-CG1 4.38Å; L343-E435 HydrophobicContact CD1-CB 3.58Å; L343-E435 HydrophobicContact CD1-CG 3.68Å
344	V	98.8	Very high	97	Very high	22 Å²	22	37.4 Å²	37.4	13%	0.133	18%	0.177	C	C	.	.	H	α-helix	trans	-65.9	-46.8	177.3	-165.2	0	0	0	0	109.1	D342 K347 Y348 Y378 I388	D342-V344 VanDerWaalsContact C-N 3.34Å; D342-V344 WeakPolarHBondContact OD1-CA 3.37Å; D342-V344 WeakPolarHBondContact OD1-CB 3.38Å; D342-V344 PolarHBondContact OD1-N 3.4Å; V344-K347 PolarHBondContact O-N 2.74Å; V344-Y348 PolarHBondContact O-N 2.75Å; V344-Y378 HydrophobicContact CB-CD1 4.41Å; V344-Y378 HydrophobicContact CB-CE1 4.18Å; V344-Y378 HydrophobicContact CG1-CD2 4.28Å; V344-Y378 HydrophobicContact CG1-CE2 4.42Å; V344-Y378 HydrophobicContact CG1-CG 4.38Å; V344-Y378 HydrophobicContact CG2-CD1 3.95Å; V344-Y378 HydrophobicContact CG2-CE1 3.98Å; V344-Y378 HydrophobicContact CG2-CG 4.45Å; V344-I388 HydrophobicContact CB-CD1 4.15Å; V344-I388 HydrophobicContact CG1-CD1 3.5Å
345	L	98.6	Very high	98	Very high	4 Å²	4	32.1 Å²	32.1	2%	0.021	16%	0.158	C	C	.	.	H	α-helix	trans	-68.6	-37.3	175.8	-71.4	168.1	0	0	0	112.8	W38 L258 D342 Y348 A349 Y378 I388	W38-L345 HydrophobicContact CH2-CD1 3.26Å; W38-L345 HydrophobicContact CH2-CD2 4.47Å; W38-L345 HydrophobicContact CH2-CG 4.49Å; W38-L345 HydrophobicContact CZ2-CD1 4.24Å; W38-L345 HydrophobicContact CZ3-CD1 3.66Å; L258-L345 HydrophobicContact CD1-CB 4.06Å; L258-L345 HydrophobicContact CD1-CD1 4.11Å; L258-L345 HydrophobicContact CD1-CD2 4.14Å; L258-L345 HydrophobicContact CD1-CG 4.35Å; L258-L345 HydrophobicContact CD2-CD2 4.07Å; D342-L345 HydrophobicContact CB-CB 4.33Å; D342-L345 HydrophobicContact CB-CD1 4.03Å; D342-L345 HydrophobicContact CB-CG 4.49Å; D342-L345 PolarHBondContact OD1-N 2.98Å; L345-Y348 WeakPolarHBondContact O-CB 3.47Å; L345-Y348 PolarHBondContact O-N 3.5Å; L345-A349 PolarHBondContact O-N 2.69Å; L345-Y378 WeakPolarHBondContact CD1-OH 3.43Å; L345-Y378 WeakPolarHBondContact CG-OH 3.33Å; L345-I388 HydrophobicContact CD2-CD1 3.69Å; L345-I388 HydrophobicContact CD2-CG1 4.12Å; L345-I388 HydrophobicContact CD2-CG2 4.18Å; L345-I388 HydrophobicContact CG-CD1 4.13Å
346	L	98.8	Very high	98.4	Very high	5 Å²	5	28.3 Å²	28.3	3%	0.026	15%	0.146	C	C	.	.	H	α-helix	trans	-67.2	-38.8	175.6	-71.7	174.9	0	0	0	112.3	A36 Q37 V297 L341 D342 L343 Y348 A349 H350 L436	A36-L346 HydrophobicContact CB-CD2 3.67Å; Q37-L346 HydrophobicContact CG-CD2 3.9Å; V297-L346 HydrophobicContact CB-CD2 4.43Å; V297-L346 HydrophobicContact CG1-CD1 3.56Å; V297-L346 HydrophobicContact CG1-CD2 3.87Å; V297-L346 HydrophobicContact CG1-CG 4.39Å; V297-L346 HydrophobicContact CG2-CD2 3.81Å; L341-L346 HydrophobicContact CD1-CD1 3.66Å; L341-L346 HydrophobicContact CG-CD1 4.18Å; D342-L346 VanDerWaalsContact O-CG 3.28Å; D342-L346 WeakPolarHBondContact O-CG 3.48Å; D342-L346 PolarHBondContact O-N 3.34Å; L343-L346 HydrophobicContact CD2-CD1 3.9Å; L343-L346 PolarHBondContact O-N 3.27Å; L346-Y348 VanDerWaalsContact C-N 3.32Å; L346-A349 PolarHBondContact O-N 2.57Å; L346-H350 PolarHBondContact O-N 3.4Å; L346-L436 HydrophobicContact CB-CD1 4.08Å; L346-L436 HydrophobicContact CB-CD2 4.08Å; L346-L436 HydrophobicContact CD1-CD1 4.42Å
347	K	98.8	Very high	98.7	Very high	72 Å²	72	27 Å²	27	31%	0.313	14%	0.141	S	C	.	.	H	α-helix	trans	-61.4	-44.5	172.9	-169.3	73.1	172.6	-160.1	0	110.5	L343 V344 H350 M351 L436	L343-K347 VanDerWaalsContact O-CB 3.27Å; L343-K347 WeakPolarHBondContact O-CB 3.42Å; L343-K347 PolarHBondContact O-N 2.83Å; V344-K347 PolarHBondContact O-N 2.74Å; K347-H350 WeakPolarHBondContact O-CB 3.35Å; K347-H350 PolarHBondContact O-N 3.05Å; K347-M351 HydrophobicContact CG-CE 3.94Å; K347-M351 WeakPolarHBondContact O-CG 3.31Å; K347-M351 PolarHBondContact O-N 3.2Å; K347-L436 HydrophobicContact CB-CD2 4.04Å; K347-L436 HydrophobicContact CD-CD2 4.12Å; K347-L436 PolarHBondContact NZ-O 2.96Å; K347-L436 VanDerWaalsContact NZ-O 3.16Å
348	Y	98.9	Very high	98.8	Very high	56 Å²	56	24.5 Å²	24.5	22%	0.22	13%	0.132	C	C	.	.	H	α-helix	trans	-58.7	-47	174.3	174.7	-103.6	0	0	0	112.3	L258 F263 V344 L345 L346 H350 M351 I352 I388	L258-Y348 HydrophobicContact CD2-CD1 4.05Å; L258-Y348 HydrophobicContact CD2-CE1 4.35Å; F263-Y348 HydrophobicContact CB-CE1 4.45Å; F263-Y348 VanDerWaalsContact O-CE1 3.27Å; F263-Y348 WeakPolarHBondContact O-CE1 3.12Å; F263-Y348 PolarHBondContact O-OH 3.23Å; F263-Y348 VanDerWaalsContact O-OH 3.09Å; V344-Y348 PolarHBondContact O-N 2.75Å; L345-Y348 WeakPolarHBondContact O-CB 3.47Å; L345-Y348 PolarHBondContact O-N 3.5Å; L346-Y348 VanDerWaalsContact C-N 3.32Å; Y348-H350 VanDerWaalsContact C-N 3.26Å; Y348-H350 PolarHBondContact O-N 3.16Å; Y348-M351 WeakPolarHBondContact O-CB 3.37Å; Y348-M351 PolarHBondContact O-N 3.42Å; Y348-M351 VanDerWaalsContact O-N 3.15Å; Y348-I352 HydrophobicContact CD1-CD1 4Å; Y348-I352 HydrophobicContact CD2-CD1 4.35Å; Y348-I352 HydrophobicContact CE1-CD1 3.48Å; Y348-I352 VanDerWaalsContact CE1-CD1 3.48Å; Y348-I352 HydrophobicContact CE2-CD1 3.89Å; Y348-I352 HydrophobicContact CG-CD1 4.41Å; Y348-I352 VanDerWaalsContact CZ-CD1 3.42Å; Y348-I352 PolarHBondContact O-N 2.91Å; Y348-I388 HydrophobicContact CD1-CG1 4.36Å; Y348-I388 HydrophobicContact CD2-CB 4.29Å; Y348-I388 HydrophobicContact CD2-CG1 4.08Å; Y348-I388 HydrophobicContact CG-CB 4.35Å; Y348-I388 HydrophobicContact CG-CG1 3.78Å
349	A	98.8	Very high	98.8	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-59.7	-36.7	175.4	0	0	0	0	0	112.2	A36 A257 L345 L346 N353 F355	A36-A349 WeakPolarHBondContact O-CB 3.35Å; A257-A349 HydrophobicContact CB-CB 3.88Å; L345-A349 PolarHBondContact O-N 2.69Å; L346-A349 PolarHBondContact O-N 2.57Å; A349-N353 WeakPolarHBondContact O-CB 3.38Å; A349-N353 PolarHBondContact O-N 3.09Å; A349-N353 PolarHBondContact O-ND2 2.97Å; A349-F355 HydrophobicContact CB-CE2 4.1Å; A349-F355 HydrophobicContact CB-CZ 4.43Å
350	H	98.8	Very high	98.8	Very high	45 Å²	45	24.3 Å²	24.3	21%	0.208	13%	0.131	C	C	.	.	H	α-helix	trans	-68.8	-40.9	174.4	175.8	66.6	0	0	0	112.9	L346 K347 Y348 I352 N353 G354 F355 I438	L346-H350 PolarHBondContact O-N 3.4Å; K347-H350 WeakPolarHBondContact O-CB 3.35Å; K347-H350 PolarHBondContact O-N 3.05Å; Y348-H350 VanDerWaalsContact C-N 3.26Å; Y348-H350 PolarHBondContact O-N 3.16Å; H350-I352 PolarHBondContact O-N 3.29Å; H350-I352 VanDerWaalsContact O-N 3.13Å; H350-N353 PolarHBondContact O-N 3.02Å; H350-G354 WeakPolarHBondContact O-CA 3.48Å; H350-G354 PolarHBondContact O-N 3.01Å; H350-F355 HydrophobicContact CB-CD2 3.92Å; H350-F355 HydrophobicContact CB-CE2 4.39Å; H350-F355 PolarHBondContact CE1-O 3.08Å; H350-F355 PolarHBondContact ND1-N 3.34Å; H350-F355 VanDerWaalsContact ND1-N 3.17Å; H350-I438 HydrophobicContact CB-CD1 3.73Å; H350-I438 WeakPolarHBondContact ND1-CD1 3.41Å
351	M	98.8	Very high	98.8	Very high	130 Å²	130	24.2 Å²	24.2	64%	0.64	13%	0.131	S	C	*	.	H	α-helix	trans	-53.9	-35.2	176.5	-69.1	177.4	-173.7	0	0	111.9	K347 Y348	K347-M351 HydrophobicContact CG-CE 3.94Å; K347-M351 WeakPolarHBondContact O-CG 3.31Å; K347-M351 PolarHBondContact O-N 3.2Å; Y348-M351 WeakPolarHBondContact O-CB 3.37Å; Y348-M351 PolarHBondContact O-N 3.42Å; Y348-M351 VanDerWaalsContact O-N 3.15Å
352	I	98.8	Very high	98.7	Very high	41 Å²	41	26.7 Å²	26.7	21%	0.21	14%	0.141	C	C	.	.	H	α-helix	trans	-85	-43.2	-179.1	-61.9	155.7	0	0	0	112	F263 T275 Y348 H350	F263-I352 HydrophobicContact CB-CD1 3.61Å; F263-I352 HydrophobicContact CD1-CD1 4.02Å; F263-I352 HydrophobicContact CD1-CG1 4.35Å; F263-I352 HydrophobicContact CD2-CD1 4.44Å; F263-I352 HydrophobicContact CD2-CG2 3.85Å; F263-I352 HydrophobicContact CE2-CG2 3.98Å; F263-I352 HydrophobicContact CG-CD1 3.77Å; F263-I352 HydrophobicContact CG-CG1 4.34Å; F263-I352 HydrophobicContact CG-CG2 4.25Å; F263-I352 HydrophobicContact CZ-CG2 4.49Å; T275-I352 HydrophobicContact CG2-CG2 3.66Å; Y348-I352 HydrophobicContact CD1-CD1 4Å; Y348-I352 HydrophobicContact CD2-CD1 4.35Å; Y348-I352 HydrophobicContact CE1-CD1 3.48Å; Y348-I352 VanDerWaalsContact CE1-CD1 3.48Å; Y348-I352 HydrophobicContact CE2-CD1 3.89Å; Y348-I352 HydrophobicContact CG-CD1 4.41Å; Y348-I352 VanDerWaalsContact CZ-CD1 3.42Å; Y348-I352 PolarHBondContact O-N 2.91Å; H350-I352 PolarHBondContact O-N 3.29Å; H350-I352 VanDerWaalsContact O-N 3.13Å
353	N	98.8	Very high	98.7	Very high	5 Å²	5	26.6 Å²	26.6	3%	0.027	14%	0.141	C	C	.	.	H	α-helix	trans	-94.4	-18.4	-169.5	-67.9	-60.1	0	0	0	114.6	L34 T275 V276 A349 H350 F355	L34-N353 HydrophobicContact CD1-CB 4.29Å; L34-N353 WeakPolarHBondContact CD1-OD1 3.31Å; T275-N353 WeakPolarHBondContact CA-OD1 3.44Å; T275-N353 WeakPolarHBondContact CB-OD1 3.35Å; V276-N353 PolarHBondContact N-OD1 2.83Å; A349-N353 WeakPolarHBondContact O-CB 3.38Å; A349-N353 PolarHBondContact O-N 3.09Å; A349-N353 PolarHBondContact O-ND2 2.97Å; H350-N353 PolarHBondContact O-N 3.02Å; N353-F355 HydrophobicContact CB-CD1 3.78Å; N353-F355 HydrophobicContact CB-CE1 3.34Å; N353-F355 HydrophobicContact CB-CE2 4.29Å; N353-F355 HydrophobicContact CB-CG 4.41Å; N353-F355 HydrophobicContact CB-CZ 3.63Å; N353-F355 PolarHBondContact O-N 3.39Å
354	G	98.7	Very high	98.7	Very high	44 Å²	44	27.5 Å²	27.5	45%	0.454	15%	0.146	S	C	.	.			trans	57.1	46.8	-177.9	0	0	0	0	0	112.9	H350 T356	H350-G354 WeakPolarHBondContact O-CA 3.48Å; H350-G354 PolarHBondContact O-N 3.01Å; G354-T356 PolarHBondContact O-N 3.37Å
355	F	98.9	Very high	98.7	Very high	10 Å²	10	27 Å²	27	4%	0.044	14%	0.142	C	C	.	.			trans	-52.6	132.1	-177.5	-59	-49.9	0	0	0	112.4	L34 A36 V293 G295 A349 H350 N353 L358 I438	L34-F355 HydrophobicContact CB-CE1 4.2Å; L34-F355 HydrophobicContact CD1-CE1 4.48Å; A36-F355 HydrophobicContact CB-CE2 4.03Å; A36-F355 HydrophobicContact CB-CZ 4.04Å; V293-F355 HydrophobicContact CG1-CD1 4.03Å; V293-F355 HydrophobicContact CG1-CE1 4.46Å; V293-F355 CarbonylContact O-C 3.5Å; V293-F355 VanDerWaalsContact O-CA 3.3Å; V293-F355 WeakPolarHBondContact O-CA 3.48Å; G295-F355 VanDerWaalsContact CA-CD1 3.5Å; A349-F355 HydrophobicContact CB-CE2 4.1Å; A349-F355 HydrophobicContact CB-CZ 4.43Å; H350-F355 HydrophobicContact CB-CD2 3.92Å; H350-F355 HydrophobicContact CB-CE2 4.39Å; H350-F355 PolarHBondContact CE1-O 3.08Å; H350-F355 PolarHBondContact ND1-N 3.34Å; H350-F355 VanDerWaalsContact ND1-N 3.17Å; N353-F355 HydrophobicContact CB-CD1 3.78Å; N353-F355 HydrophobicContact CB-CE1 3.34Å; N353-F355 HydrophobicContact CB-CE2 4.29Å; N353-F355 HydrophobicContact CB-CG 4.41Å; N353-F355 HydrophobicContact CB-CZ 3.63Å; N353-F355 PolarHBondContact O-N 3.39Å; F355-L358 HydrophobicContact CB-CD2 4.17Å; F355-L358 HydrophobicContact CD2-CD2 3.99Å; F355-L358 HydrophobicContact CG-CD2 4.23Å; F355-I438 HydrophobicContact CB-CD1 4.34Å; F355-I438 HydrophobicContact CB-CG2 4.29Å; F355-I438 HydrophobicContact CD2-CD1 4.42Å
356	T	98.8	Very high	98.7	Very high	55 Å²	55	26.8 Å²	26.8	34%	0.337	14%	0.141	S	C	.	.	S	Bend	trans	-86.5	-31.7	176.8	56.6	0	0	0	0	112.1	E292 V293 G354	E292-T356 WeakPolarHBondContact OE2-CB 3.25Å; E292-T356 PolarHBondContact OE2-OG1 3.43Å; V293-T356 PolarHBondContact N-OG1 3.46Å; V293-T356 PolarHBondContact O-N 2.92Å; V293-T356 PolarHBondContact O-OG1 2.78Å; G354-T356 PolarHBondContact O-N 3.37Å
357	A	98.8	Very high	98.7	Very high	2 Å²	2	26.8 Å²	26.8	2%	0.017	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	165.7	171.4	0	0	0	0	0	110.9	Y294 G295 P439 K441 F456	Y294-A357 WeakPolarHBondContact CA-O 3.26Å; Y294-A357 HydrophobicContact CD1-CB 3.91Å; Y294-A357 HydrophobicContact CE1-CB 4Å; G295-A357 PolarHBondContact N-O 2.94Å; A357-P439 CarbonylContact C-O 3.5Å; A357-P439 VanDerWaalsContact CA-O 3.23Å; A357-P439 WeakPolarHBondContact CA-O 3.4Å; A357-P439 HydrophobicContact CB-CG 4.3Å; A357-P439 WeakPolarHBondContact CB-O 3.28Å; A357-K441 HydrophobicContact CB-CB 3.83Å; A357-K441 HydrophobicContact CB-CD 4.47Å; A357-F456 HydrophobicContact CB-CZ 4.3Å
358	L	98.9	Very high	98.5	Very high	3 Å²	3	29.2 Å²	29.2	2%	0.016	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	149.9	179.2	-56.5	178.7	0	0	0	112.3	G295 V297 F355 I432 L436 I438 P439 V440 K441 W442	G295-L358 CarbonylContact O-C 3.47Å; G295-L358 VanDerWaalsContact O-CA 3.29Å; G295-L358 WeakPolarHBondContact O-CA 3.46Å; V297-L358 HydrophobicContact CG2-CD1 4.4Å; V297-L358 HydrophobicContact CG2-CD2 4.07Å; F355-L358 HydrophobicContact CB-CD2 4.17Å; F355-L358 HydrophobicContact CD2-CD2 3.99Å; F355-L358 HydrophobicContact CG-CD2 4.23Å; L358-I432 HydrophobicContact CD1-CG2 4.22Å; L358-L436 HydrophobicContact CD1-CD1 3.78Å; L358-I438 HydrophobicContact CD1-CB 4.21Å; L358-I438 HydrophobicContact CD1-CD1 4.48Å; L358-I438 HydrophobicContact CD1-CG2 4.36Å; L358-I438 HydrophobicContact CD2-CD1 4.29Å; L358-I438 HydrophobicContact CD2-CG2 4.07Å; L358-I438 HydrophobicContact CG-CB 4.16Å; L358-I438 HydrophobicContact CG-CG2 3.75Å; L358-P439 PolarHBondContact N-O 2.87Å; L358-V440 HydrophobicContact CB-CG2 4.16Å; L358-V440 HydrophobicContact CD1-CG2 4.48Å; L358-K441 PolarHBondContact O-N 2.81Å; L358-W442 PolarHBondContact O-N 3.35Å
359	A	98.8	Very high	98.5	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	107	161.9	0	0	0	0	0	108.5	V46 G295 V296 V297 W442	V46-A359 HydrophobicContact CG1-CB 4.45Å; V46-A359 HydrophobicContact CG2-CB 3.57Å; G295-A359 PolarHBondContact O-N 2.89Å; V296-A359 HydrophobicContact CG2-CB 4.38Å; V297-A359 PolarHBondContact N-O 3.35Å; V297-A359 VanDerWaalsContact O-O 3.11Å; A359-W442 CarbonylContact C-O 3.59Å; A359-W442 WeakPolarHBondContact CA-O 3.31Å; A359-W442 HydrophobicContact CB-CB 4.06Å; A359-W442 HydrophobicContact CB-CE3 4.14Å
360	L	98.8	Very high	98.4	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.005	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	106.7	179.3	-177.8	64.3	0	0	0	110.1	V297 A299 L363 Y428 V429 I432 V440 W442 I443 G444	V297-L360 HydrophobicContact CB-CD1 4.48Å; V297-L360 HydrophobicContact CG1-CD1 4.18Å; V297-L360 CarbonylContact O-C 3.59Å; V297-L360 VanDerWaalsContact O-CA 3.25Å; V297-L360 WeakPolarHBondContact O-CA 3.49Å; A299-L360 HydrophobicContact CB-CD1 4.05Å; A299-L360 HydrophobicContact CB-CG 4.48Å; L360-L363 HydrophobicContact CD2-CD1 4.28Å; L360-Y428 HydrophobicContact CD2-CD1 4.43Å; L360-Y428 HydrophobicContact CD2-CE1 4.48Å; L360-V429 HydrophobicContact CD2-CG2 3.95Å; L360-I432 HydrophobicContact CD1-CD1 3.85Å; L360-I432 HydrophobicContact CD2-CD1 3.79Å; L360-I432 HydrophobicContact CG-CD1 4.48Å; L360-V440 HydrophobicContact CB-CG1 4.06Å; L360-W442 PolarHBondContact N-O 2.98Å; L360-I443 CarbonylContact O-C 3.53Å; L360-I443 VanDerWaalsContact O-CA 3.28Å; L360-I443 WeakPolarHBondContact O-CA 3.18Å; L360-G444 PolarHBondContact O-N 2.81Å
361	T	98.4	Very high	98.4	Very high	5 Å²	5	34.9 Å²	34.9	3%	0.031	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	159.1	-173.5	67.8	0	0	0	0	112.9	E41 V296 V297 K298 A299 L363	E41-T361 WeakPolarHBondContact O-CB 3.47Å; E41-T361 VanDerWaalsContact O-CG2 3.3Å; E41-T361 WeakPolarHBondContact O-CG2 3.49Å; E41-T361 PolarHBondContact O-OG1 3.3Å; V296-T361 HydrophobicContact CG1-CG2 3.8Å; V297-T361 PolarHBondContact O-N 3.42Å; V297-T361 PolarHBondContact O-OG1 2.94Å; K298-T361 WeakPolarHBondContact CA-OG1 3.16Å; A299-T361 WeakPolarHBondContact CB-O 3.44Å; A299-T361 PolarHBondContact N-O 3.07Å; T361-L363 VanDerWaalsContact C-N 3.29Å; T361-L363 PolarHBondContact O-N 2.85Å
362	K	97.9	Very high	98.4	Very high	51 Å²	51	28.7 Å²	28.7	22%	0.222	16%	0.16	C	C	.	.			trans	57.9	37.2	175.1	-57.7	-156.6	-169.9	-179.8	0	113.5	K298 Y300 G325 E327 D364 I365 G444	K298-K362 HydrophobicContact CD-CB 4.42Å; K298-K362 HydrophobicContact CD-CD 3.81Å; K298-K362 HydrophobicContact CD-CG 4.26Å; K298-K362 HydrophobicContact CG-CB 4.13Å; K298-K362 HydrophobicContact CG-CD 4.4Å; K298-K362 HydrophobicContact CG-CG 4.38Å; Y300-K362 HydrophobicContact CE1-CB 4Å; Y300-K362 HydrophobicContact CE1-CD 4.35Å; Y300-K362 WeakPolarHBondContact OH-CD 3.15Å; G325-K362 PolarHBondContact O-NZ 2.97Å; E327-K362 IonicContact OE1-NZ 3.69Å; E327-K362 PolarHBondContact OE1-NZ 3.49Å; E327-K362 IonicContact OE2-NZ 3.81Å; K362-D364 WeakPolarHBondContact CA-OD1 3.49Å; K362-D364 PolarHBondContact O-N 3.08Å; K362-I365 HydrophobicContact CB-CG1 3.76Å; K362-I365 HydrophobicContact CD-CG1 4.27Å; K362-I365 WeakPolarHBondContact O-CB 3.5Å; K362-I365 WeakPolarHBondContact O-CG1 3.36Å; K362-I365 PolarHBondContact O-N 3.24Å; K362-G444 PolarHBondContact N-O 3.28Å
363	L	98.8	Very high	98.4	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-63.7	-33.7	177	-171.6	63.6	0	0	0	110.9	A299 L360 T361 I365 L366 W408 I412 L421 A425 Y428 V429 I443 G444	A299-L363 HydrophobicContact CB-CD1 4.06Å; L360-L363 HydrophobicContact CD2-CD1 4.28Å; T361-L363 VanDerWaalsContact C-N 3.29Å; T361-L363 PolarHBondContact O-N 2.85Å; L363-I365 PolarHBondContact O-N 2.98Å; L363-I365 VanDerWaalsContact O-N 3.08Å; L363-L366 HydrophobicContact CD1-CD1 4.45Å; L363-L366 WeakPolarHBondContact O-CB 3.48Å; L363-L366 PolarHBondContact O-N 2.84Å; L363-W408 HydrophobicContact CD1-CH2 3.57Å; L363-W408 HydrophobicContact CD1-CZ2 3.95Å; L363-W408 HydrophobicContact CG-CH2 4.08Å; L363-W408 HydrophobicContact CG-CZ2 3.96Å; L363-I412 HydrophobicContact CB-CD1 3.97Å; L363-I412 HydrophobicContact CD2-CD1 3.85Å; L363-I412 HydrophobicContact CG-CD1 3.68Å; L363-L421 HydrophobicContact CD2-CD1 4.49Å; L363-A425 HydrophobicContact CD2-CB 4.49Å; L363-Y428 HydrophobicContact CD1-CD1 3.64Å; L363-Y428 HydrophobicContact CD1-CE1 3.97Å; L363-V429 HydrophobicContact CD2-CG2 4.19Å; L363-I443 HydrophobicContact CB-CG2 4.07Å; L363-I443 HydrophobicContact CD2-CG2 3.56Å; L363-I443 HydrophobicContact CG-CG2 4.47Å; L363-G444 PolarHBondContact N-O 2.96Å
364	D	98.3	Very high	98.4	Very high	27 Å²	27	29.9 Å²	29.9	14%	0.144	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-58.6	-19.8	177.2	58.8	-66.7	0	0	0	114.3	R324 K362 L366 D367 I412 V445 G446	R324-D364 PolarHBondContact NH2-O 3.42Å; K362-D364 WeakPolarHBondContact CA-OD1 3.49Å; K362-D364 PolarHBondContact O-N 3.08Å; D364-L366 PolarHBondContact O-N 2.71Å; D364-D367 WeakPolarHBondContact CA-OD1 3.45Å; D364-D367 WeakPolarHBondContact O-CB 3.31Å; D364-D367 PolarHBondContact O-N 3.49Å; D364-I412 HydrophobicContact CB-CG1 4.09Å; D364-V445 VanDerWaalsContact CG-C 3.48Å; D364-V445 VanDerWaalsContact OD1-C 3.25Å; D364-G446 PolarHBondContact OD1-N 3.2Å
365	I	98.4	Very high	98.4	Very high	10 Å²	10	27.8 Å²	27.8	5%	0.051	14%	0.142	C	C	.	.	G	3₁₀ helix	trans	-68.8	-29.6	176.6	-57.6	-49.6	0	0	0	110.9	Y300 L321 R324 K362 L363 D367	Y300-I365 HydrophobicContact CD1-CB 4.38Å; Y300-I365 HydrophobicContact CD1-CG2 4.24Å; Y300-I365 HydrophobicContact CE1-CB 3.7Å; Y300-I365 HydrophobicContact CE1-CG1 3.93Å; Y300-I365 HydrophobicContact CE1-CG2 3.61Å; L321-I365 HydrophobicContact CD2-CG2 4.17Å; R324-I365 HydrophobicContact CB-CD1 4.18Å; R324-I365 HydrophobicContact CB-CG2 3.85Å; R324-I365 PolarHBondContact NE-O 2.85Å; R324-I365 WeakPolarHBondContact O-CD1 3.42Å; K362-I365 HydrophobicContact CB-CG1 3.76Å; K362-I365 HydrophobicContact CD-CG1 4.27Å; K362-I365 WeakPolarHBondContact O-CB 3.5Å; K362-I365 WeakPolarHBondContact O-CG1 3.36Å; K362-I365 PolarHBondContact O-N 3.24Å; L363-I365 PolarHBondContact O-N 2.98Å; L363-I365 VanDerWaalsContact O-N 3.08Å; I365-D367 VanDerWaalsContact C-N 3.31Å; I365-D367 PolarHBondContact O-N 3.06Å
366	L	98.6	Very high	98.4	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-83.1	-4.2	-179.1	-54.9	-174.5	0	0	0	113.5	A299 Y300 L321 L363 D364 M368 F369 I372 W408 Y428	A299-L366 HydrophobicContact CB-CD1 3.9Å; A299-L366 HydrophobicContact CB-CG 4.4Å; Y300-L366 HydrophobicContact CD1-CD2 4.37Å; L321-L366 HydrophobicContact CD2-CD2 3.76Å; L363-L366 HydrophobicContact CD1-CD1 4.45Å; L363-L366 WeakPolarHBondContact O-CB 3.48Å; L363-L366 PolarHBondContact O-N 2.84Å; D364-L366 PolarHBondContact O-N 2.71Å; L366-M368 PolarHBondContact O-N 2.91Å; L366-F369 HydrophobicContact CD2-CD2 4.31Å; L366-F369 HydrophobicContact CD2-CE2 4.36Å; L366-F369 PolarHBondContact O-N 3.16Å; L366-I372 HydrophobicContact CB-CD1 3.95Å; L366-I372 HydrophobicContact CD1-CD1 4.1Å; L366-I372 HydrophobicContact CD1-CG2 4.23Å; L366-W408 HydrophobicContact CB-CH2 3.66Å; L366-W408 HydrophobicContact CB-CZ2 3.65Å; L366-W408 HydrophobicContact CD1-CH2 4.16Å; L366-Y428 HydrophobicContact CD1-CE1 4.04Å; L366-Y428 HydrophobicContact CD1-CE2 4.29Å
367	D	98.3	Very high	98.4	Very high	6 Å²	6	28.2 Å²	28.2	3%	0.032	15%	0.148	C	C	.	.	G	3₁₀ helix	trans	-54.7	-28.3	-177.1	-69.7	-0.5	0	0	0	114.7	D364 I365 W408 N409 T410 D411 I412	D364-D367 WeakPolarHBondContact CA-OD1 3.45Å; D364-D367 WeakPolarHBondContact O-CB 3.31Å; D364-D367 PolarHBondContact O-N 3.49Å; I365-D367 VanDerWaalsContact C-N 3.31Å; I365-D367 PolarHBondContact O-N 3.06Å; D367-W408 PolarHBondContact OD1-NE1 3.31Å; D367-N409 CarbonylContact O-C 3.5Å; D367-N409 WeakPolarHBondContact O-CA 3.36Å; D367-N409 PolarHBondContact O-N 3.13Å; D367-T410 WeakPolarHBondContact CB-O 3.4Å; D367-T410 PolarHBondContact O-N 3.48Å; D367-D411 WeakPolarHBondContact OD2-CA 3.4Å; D367-I412 WeakPolarHBondContact OD1-CD1 3.23Å; D367-I412 WeakPolarHBondContact OD1-CG1 3.39Å; D367-I412 PolarHBondContact OD2-N 2.92Å
368	M	95.5	Very high	98.4	Very high	122 Å²	122	28.1 Å²	28.1	60%	0.601	15%	0.147	S	C	*	.	G	3₁₀ helix	trans	-92.8	-1	-176.1	-69.1	-70	174.4	0	0	114	R324 L366	R324-M368 VanDerWaalsContact CZ-CG 3.48Å; L366-M368 PolarHBondContact O-N 2.91Å
369	F	98	Very high	98.4	Very high	15 Å²	15	30.8 Å²	30.8	7%	0.066	16%	0.159	C	C	.	.			trans	-90.3	131.1	-178.5	-73.3	-92.8	0	0	0	110.6	I317 L320 L321 W340 L366 I372 G407 N409	I317-F369 HydrophobicContact CB-CE1 4.44Å; I317-F369 HydrophobicContact CG1-CE1 4.32Å; I317-F369 HydrophobicContact CG2-CE1 3.95Å; I317-F369 HydrophobicContact CG2-CZ 4.36Å; L320-F369 HydrophobicContact CB-CZ 4.18Å; L320-F369 HydrophobicContact CD2-CD2 4.47Å; L320-F369 HydrophobicContact CD2-CE1 3.98Å; L320-F369 HydrophobicContact CD2-CE2 3.84Å; L320-F369 HydrophobicContact CD2-CZ 3.57Å; L320-F369 HydrophobicContact CG-CE2 4.12Å; L320-F369 HydrophobicContact CG-CZ 3.91Å; L321-F369 HydrophobicContact CD2-CE2 3.91Å; L321-F369 HydrophobicContact CD2-CZ 3.94Å; L321-F369 HydrophobicContact CG-CE2 4.44Å; L321-F369 HydrophobicContact CG-CZ 3.99Å; W340-F369 AromaticContact CH2-CD1 3.55Å; W340-F369 HydrophobicContact CH2-CD1 3.55Å; W340-F369 AromaticContact CH2-CE1 3.54Å; W340-F369 HydrophobicContact CH2-CE1 3.54Å; W340-F369 HydrophobicContact CH2-CG 4.33Å; W340-F369 HydrophobicContact CH2-CZ 4.31Å; W340-F369 HydrophobicContact CZ2-CE1 4.37Å; W340-F369 HydrophobicContact CZ3-CD1 4.26Å; W340-F369 HydrophobicContact CZ3-CE1 4.2Å; L366-F369 HydrophobicContact CD2-CD2 4.31Å; L366-F369 HydrophobicContact CD2-CE2 4.36Å; L366-F369 PolarHBondContact O-N 3.16Å; F369-I372 HydrophobicContact CB-CG1 3.84Å; F369-G407 WeakPolarHBondContact O-CA 3.36Å; F369-N409 PolarHBondContact O-OD1 2.9Å
370	T	97.8	Very high	98.3	Very high	104 Å²	104	32.3 Å²	32.3	64%	0.638	17%	0.167	S	C	*	.	S	Bend	trans	-77.2	-33.9	173	51.1	0	0	0	0	111.8	G407 N409	T370-G407 PolarHBondContact O-N 2.93Å; T370-N409 WeakPolarHBondContact CG2-OD1 3.42Å
371	E	98.1	Very high	98.2	Very high	101 Å²	101	39.3 Å²	39.3	47%	0.472	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	144.9	171.9	60.6	170.7	-144.5	0	0	110.4	T404 L405	E371-T404 HydrophobicContact CB-CG2 3.85Å; E371-T404 HydrophobicContact CG-CG2 4.48Å; E371-L405 WeakPolarHBondContact CA-O 3.35Å
372	I	98.8	Very high	98.2	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	126.1	-179.7	-59.9	160.8	0	0	0	107.4	W340 L366 F369 L405 W408 Y428	W340-I372 HydrophobicContact CE3-CG2 4.18Å; W340-I372 HydrophobicContact CZ3-CG2 3.92Å; L366-I372 HydrophobicContact CB-CD1 3.95Å; L366-I372 HydrophobicContact CD1-CD1 4.1Å; L366-I372 HydrophobicContact CD1-CG2 4.23Å; F369-I372 HydrophobicContact CB-CG1 3.84Å; I372-L405 PolarHBondContact N-O 3.47Å; I372-L405 PolarHBondContact O-N 2.9Å; I372-W408 HydrophobicContact CD1-CE3 4.08Å; I372-W408 HydrophobicContact CD1-CH2 3.76Å; I372-W408 HydrophobicContact CD1-CZ3 3.43Å; I372-W408 VanDerWaalsContact CD1-CZ3 3.43Å; I372-Y428 HydrophobicContact CB-CE2 4.49Å; I372-Y428 HydrophobicContact CD1-CD2 4.46Å; I372-Y428 HydrophobicContact CG2-CD2 4.33Å; I372-Y428 HydrophobicContact CG2-CE2 3.63Å
373	K	98.9	Very high	98.2	Very high	71 Å²	71	45.9 Å²	45.9	31%	0.309	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	144	173.7	-65.1	-177.4	-179	177	0	110.2	W340 Y402 K403	W340-K373 WeakPolarHBondContact CB-O 3.41Å; W340-K373 HydrophobicContact CD2-CB 4.09Å; W340-K373 HydrophobicContact CG-CB 3.99Å; K373-Y402 HydrophobicContact CB-CD1 3.74Å; K373-Y402 HydrophobicContact CB-CE1 4.41Å; K373-Y402 HydrophobicContact CB-CG 4.22Å; K373-Y402 HydrophobicContact CD-CG 4.4Å; K373-K403 WeakPolarHBondContact CA-O 3.43Å
374	V	98.9	Very high	98.1	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	126.1	175.4	-178.3	0	0	0	0	108.4	L341 L343 V376 Y402 K403 L405 Y428 F431	L341-V374 HydrophobicContact CB-CG1 4.18Å; L341-V374 HydrophobicContact CB-CG2 4.43Å; L341-V374 HydrophobicContact CD2-CG1 4.27Å; L341-V374 HydrophobicContact CG-CG1 4.34Å; L343-V374 HydrophobicContact CD1-CG1 3.76Å; L343-V374 HydrophobicContact CD2-CG1 4.17Å; L343-V374 HydrophobicContact CG-CG1 3.54Å; V374-V376 PolarHBondContact O-N 2.92Å; V374-Y402 CarbonylContact O-C 3.58Å; V374-Y402 WeakPolarHBondContact O-CA 3.48Å; V374-K403 PolarHBondContact N-O 3.07Å; V374-K403 PolarHBondContact O-N 3.34Å; V374-L405 HydrophobicContact CG2-CD1 4.16Å; V374-Y428 HydrophobicContact CG2-CE2 3.69Å; V374-F431 HydrophobicContact CB-CE1 4Å; V374-F431 HydrophobicContact CG1-CE1 3.86Å; V374-F431 HydrophobicContact CG2-CE1 4.36Å
375	G	98.8	Very high	98.1	Very high	0 Å²	0	50 Å²	50	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	123	176.3	0	0	0	0	0	110.4	L341 L343	L341-G375 PolarHBondContact O-N 3.26Å; L343-G375 WeakPolarHBondContact CB-O 3.46Å; L343-G375 PolarHBondContact N-O 3.08Å
376	V	98.8	Very high	98	Very high	49 Å²	49	55.3 Å²	55.3	30%	0.297	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	-21.2	-173.4	-65	0	0	0	0	113.8	L343 V374 Q401 K403 F431	L343-V376 HydrophobicContact CD1-CG1 4.36Å; V374-V376 PolarHBondContact O-N 2.92Å; V376-Q401 WeakPolarHBondContact CG2-O 3.39Å; V376-Q401 PolarHBondContact N-O 3.49Å; V376-K403 HydrophobicContact CG1-CB 3.87Å; V376-F431 HydrophobicContact CG1-CE1 4.26Å; V376-F431 HydrophobicContact CG1-CZ 3.8Å
377	A	98.8	Very high	97.9	Very high	25 Å²	25	60.4 Å²	60.4	21%	0.207	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	156.9	176.5	0	0	0	0	0	110.7	I384 Q401	A377-I384 HydrophobicContact CB-CD1 3.94Å; A377-I384 HydrophobicContact CB-CG2 4.48Å; A377-Q401 HydrophobicContact CB-CB 4.18Å; A377-Q401 HydrophobicContact CB-CG 4.31Å; A377-Q401 PolarHBondContact O-N 3.13Å
378	Y	98.8	Very high	97.9	Very high	1 Å²	1	61.4 Å²	61.4	0%	0.004	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	136.9	170.7	-72.7	-5.6	0	0	0	110.1	P310 D342 V344 L345 I384 I385 I388 L395 V398 V400	P310-Y378 HydrophobicContact CB-CE1 3.86Å; P310-Y378 HydrophobicContact CB-CE2 4.36Å; P310-Y378 VanDerWaalsContact CB-OH 3.28Å; P310-Y378 WeakPolarHBondContact CB-OH 3.46Å; P310-Y378 HydrophobicContact CG-CE1 4.45Å; P310-Y378 HydrophobicContact CG-CE2 4.1Å; P310-Y378 WeakPolarHBondContact CG-OH 3.49Å; D342-Y378 WeakPolarHBondContact OD2-CE1 3.25Å; D342-Y378 PolarHBondContact OD2-OH 2.93Å; V344-Y378 HydrophobicContact CB-CD1 4.41Å; V344-Y378 HydrophobicContact CB-CE1 4.18Å; V344-Y378 HydrophobicContact CG1-CD2 4.28Å; V344-Y378 HydrophobicContact CG1-CE2 4.42Å; V344-Y378 HydrophobicContact CG1-CG 4.38Å; V344-Y378 HydrophobicContact CG2-CD1 3.95Å; V344-Y378 HydrophobicContact CG2-CE1 3.98Å; V344-Y378 HydrophobicContact CG2-CG 4.45Å; L345-Y378 WeakPolarHBondContact CD1-OH 3.43Å; L345-Y378 WeakPolarHBondContact CG-OH 3.33Å; Y378-I384 WeakPolarHBondContact O-CA 3.43Å; Y378-I385 PolarHBondContact O-N 2.99Å; Y378-I388 HydrophobicContact CD2-CD1 4.16Å; Y378-I388 HydrophobicContact CE2-CD1 3.68Å; Y378-L395 HydrophobicContact CD2-CD1 4.48Å; Y378-L395 HydrophobicContact CE2-CD1 3.84Å; Y378-V398 HydrophobicContact CD1-CG2 4.22Å; Y378-V398 HydrophobicContact CD2-CB 4.01Å; Y378-V398 HydrophobicContact CD2-CG1 3.98Å; Y378-V398 HydrophobicContact CD2-CG2 3.83Å; Y378-V398 HydrophobicContact CE1-CG2 4.37Å; Y378-V398 HydrophobicContact CE2-CG2 3.94Å; Y378-V398 HydrophobicContact CG-CB 4.02Å; Y378-V398 HydrophobicContact CG-CG1 4.4Å; Y378-V398 HydrophobicContact CG-CG2 3.98Å; Y378-V400 HydrophobicContact CD1-CB 4.45Å; Y378-V400 HydrophobicContact CD1-CG1 4.42Å; Y378-V400 HydrophobicContact CD1-CG2 3.96Å; Y378-V400 HydrophobicContact CE1-CB 4.45Å; Y378-V400 HydrophobicContact CE1-CG1 4.28Å; Y378-V400 HydrophobicContact CE1-CG2 3.67Å
379	K	98.6	Very high	98	Very high	59 Å²	59	56 Å²	56	26%	0.257	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	142.6	162.2	-72.2	-175.8	-179.3	167.9	0	110.3	E383 I384 V398 E399 Q401	K379-E383 CarbonylContact C-O 3.57Å; K379-E383 WeakPolarHBondContact CA-O 3.11Å; K379-I384 HydrophobicContact CD-CD1 4.19Å; K379-I384 HydrophobicContact CG-CD1 3.38Å; K379-I384 HydrophobicContact CG-CG1 3.96Å; K379-V398 CarbonylContact O-C 3.37Å; K379-V398 VanDerWaalsContact O-CA 3.31Å; K379-V398 WeakPolarHBondContact O-CA 3.42Å; K379-E399 HydrophobicContact CB-CB 4.26Å; K379-E399 PolarHBondContact N-O 2.93Å; K379-E399 PolarHBondContact O-N 2.8Å; K379-Q401 HydrophobicContact CD-CG 4.3Å; K379-Q401 VanDerWaalsContact CE-OE1 3.32Å; K379-Q401 HydrophobicContact CG-CG 4Å
380	L	98.2	Very high	98	Very high	32 Å²	32	59.7 Å²	59.7	17%	0.168	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	124.1	169	-177.2	67.8	0	0	0	107.4	G382 E383 I385 V394 K397	L380-G382 PolarHBondContact O-N 2.76Å; L380-G382 VanDerWaalsContact O-N 3.17Å; L380-E383 PolarHBondContact N-O 2.93Å; L380-E383 PolarHBondContact O-N 2.91Å; L380-E383 VanDerWaalsContact O-N 3.09Å; L380-I385 HydrophobicContact CB-CD1 4.2Å; L380-I385 HydrophobicContact CB-CG2 4.05Å; L380-V394 HydrophobicContact CD1-CG1 4.19Å; L380-V394 HydrophobicContact CD2-CG1 3.52Å; L380-K397 HydrophobicContact CD1-CB 3.77Å
381	D	96.5	Very high	98	Very high	147 Å²	147	58.4 Å²	58.4	79%	0.786	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.6	36.8	-178	-55.2	-41.3	0	0	0	113.6
382	G	96.7	Very high	97.9	Very high	50 Å²	50	54.2 Å²	54.2	52%	0.515	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.3	-14.5	178.5	0	0	0	0	0	115.5	L380	L380-G382 PolarHBondContact O-N 2.76Å; L380-G382 VanDerWaalsContact O-N 3.17Å
383	E	97.8	Very high	97.7	Very high	144 Å²	144	59 Å²	59	67%	0.673	33%	0.332	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.9	139.4	-175.1	-69	-63	150.8	0	0	112.3	K379 L380 I385	K379-E383 CarbonylContact C-O 3.57Å; K379-E383 WeakPolarHBondContact CA-O 3.11Å; L380-E383 PolarHBondContact N-O 2.93Å; L380-E383 PolarHBondContact O-N 2.91Å; L380-E383 VanDerWaalsContact O-N 3.09Å; E383-I385 PolarHBondContact O-N 3.07Å
384	I	98.4	Very high	97.7	Very high	91 Å²	91	57.9 Å²	57.9	47%	0.467	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	127.1	175.4	-65.5	-77.2	0	0	0	109.3	A377 Y378 K379 Q401	A377-I384 HydrophobicContact CB-CD1 3.94Å; A377-I384 HydrophobicContact CB-CG2 4.48Å; Y378-I384 WeakPolarHBondContact O-CA 3.43Å; K379-I384 HydrophobicContact CD-CD1 4.19Å; K379-I384 HydrophobicContact CG-CD1 3.38Å; K379-I384 HydrophobicContact CG-CG1 3.96Å; I384-Q401 HydrophobicContact CD1-CG 3.9Å
385	I	98.3	Very high	97.7	Very high	24 Å²	24	58 Å²	58	12%	0.123	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	137.7	177.8	58.6	171.5	0	0	0	111.5	Y378 L380 E383 H387 P389 V398	Y378-I385 PolarHBondContact O-N 2.99Å; L380-I385 HydrophobicContact CB-CD1 4.2Å; L380-I385 HydrophobicContact CB-CG2 4.05Å; E383-I385 PolarHBondContact O-N 3.07Å; I385-H387 VanDerWaalsContact C-N 3.31Å; I385-H387 WeakPolarHBondContact CD1-O 3.42Å; I385-H387 PolarHBondContact O-N 2.76Å; I385-P389 HydrophobicContact CD1-CG 3.68Å; I385-V398 HydrophobicContact CD1-CG1 4.38Å
386	P	96.1	Very high	97.6	Very high	120 Å²	120	62.6 Å²	62.6	78%	0.779	36%	0.357	S	S	*	.	S	Bend	trans	-88.2	5.9	-178.9	35.7	-37.4	0	0	0	113.8
387	H	96.6	Very high	97.6	Very high	108 Å²	108	67.1 Å²	67.1	50%	0.5	37%	0.373	S	S	.	.	S	Bend	trans	-135.2	161.7	-172.9	63.7	-85.7	0	0	0	111.3	I385 P389	I385-H387 VanDerWaalsContact C-N 3.31Å; I385-H387 WeakPolarHBondContact CD1-O 3.42Å; I385-H387 PolarHBondContact O-N 2.76Å; H387-P389 WeakPolarHBondContact O-CD 3.41Å
388	I	97.8	Very high	97.5	Very high	26 Å²	26	66.8 Å²	66.8	13%	0.133	37%	0.368	C	S	.	.			trans	-85.4	124.2	169.2	-61.7	-61.6	0	0	0	108.7	V344 L345 Y348 Y378 A390 L395	V344-I388 HydrophobicContact CB-CD1 4.15Å; V344-I388 HydrophobicContact CG1-CD1 3.5Å; L345-I388 HydrophobicContact CD2-CD1 3.69Å; L345-I388 HydrophobicContact CD2-CG1 4.12Å; L345-I388 HydrophobicContact CD2-CG2 4.18Å; L345-I388 HydrophobicContact CG-CD1 4.13Å; Y348-I388 HydrophobicContact CD1-CG1 4.36Å; Y348-I388 HydrophobicContact CD2-CB 4.29Å; Y348-I388 HydrophobicContact CD2-CG1 4.08Å; Y348-I388 HydrophobicContact CG-CB 4.35Å; Y348-I388 HydrophobicContact CG-CG1 3.78Å; Y378-I388 HydrophobicContact CD2-CD1 4.16Å; Y378-I388 HydrophobicContact CE2-CD1 3.68Å; I388-A390 PolarHBondContact O-N 2.87Å; I388-L395 HydrophobicContact CG2-CD1 4.28Å
389	P	98.3	Very high	97.5	Very high	9 Å²	9	72 Å²	72	6%	0.058	39%	0.392	C	S	.	.			trans	-59.1	122.5	171.5	-25.6	34.3	0	0	0	111.7	I385 H387 N391 V394 L395 V398	I385-P389 HydrophobicContact CD1-CG 3.68Å; H387-P389 WeakPolarHBondContact O-CD 3.41Å; P389-N391 VanDerWaalsContact C-N 3.34Å; P389-V394 HydrophobicContact CB-CB 3.92Å; P389-V394 HydrophobicContact CB-CG1 3.61Å; P389-V394 HydrophobicContact CG-CG1 3.91Å; P389-L395 HydrophobicContact CB-CB 4.25Å; P389-L395 HydrophobicContact CG-CD1 4.45Å; P389-V398 HydrophobicContact CG-CG1 3.97Å
390	A	98	Very high	97.5	Very high	93 Å²	93	70 Å²	70	77%	0.769	39%	0.385	S	S	*	.	S	Bend	trans	-72.2	-29	178.4	0	0	0	0	0	112.7	I388	I388-A390 PolarHBondContact O-N 2.87Å
391	N	97.8	Very high	97.6	Very high	77 Å²	77	70.6 Å²	70.6	41%	0.412	39%	0.387	S	S	.	.	S	Bend	trans	-81.8	130.3	176.1	171.6	-94.6	0	0	0	110.9	P389 E393 V394 L395	P389-N391 VanDerWaalsContact C-N 3.34Å; N391-E393 PolarHBondContact ND2-OE2 3.46Å; N391-E393 PolarHBondContact O-N 3.49Å; N391-E393 WeakPolarHBondContact OD1-CA 3.39Å; N391-E393 WeakPolarHBondContact OD1-CB 3.42Å; N391-E393 PolarHBondContact OD1-N 3.16Å; N391-E393 PolarHBondContact OD1-OE2 2.98Å; N391-V394 HydrophobicContact CB-CB 4.41Å; N391-V394 HydrophobicContact CB-CG2 4.15Å; N391-V394 PolarHBondContact O-N 2.95Å; N391-V394 WeakPolarHBondContact OD1-CG2 3.37Å; N391-V394 PolarHBondContact OD1-N 2.98Å; N391-L395 PolarHBondContact O-N 3.36Å
392	Q	94.5	Very high	97.7	Very high	13 Å²	13	67.3 Å²	67.3	6%	0.061	36%	0.364	C	S	.	.	H	α-helix	trans	-57.9	-40.8	-179.1	168.4	59.8	41.5	0	0	113.7	F268 A308 L395 N396	F268-Q392 HydrophobicContact CD2-CG 4.42Å; F268-Q392 HydrophobicContact CE2-CG 3.94Å; A308-Q392 VanDerWaalsContact N-CD 3.33Å; Q392-L395 PolarHBondContact O-N 2.69Å; Q392-N396 PolarHBondContact NE2-ND2 3.04Å; Q392-N396 PolarHBondContact NE2-OD1 3.41Å; Q392-N396 VanDerWaalsContact NE2-OD1 3.09Å; Q392-N396 PolarHBondContact O-N 3.06Å
393	E	95.9	Very high	97.8	Very high	99 Å²	99	70.1 Å²	70.1	46%	0.463	36%	0.362	S	S	.	.	H	α-helix	trans	-70.9	-32.8	179.6	-67.2	66.1	-142.8	0	0	112.3	N391 K397	N391-E393 PolarHBondContact ND2-OE2 3.46Å; N391-E393 PolarHBondContact O-N 3.49Å; N391-E393 WeakPolarHBondContact OD1-CA 3.39Å; N391-E393 WeakPolarHBondContact OD1-CB 3.42Å; N391-E393 PolarHBondContact OD1-N 3.16Å; N391-E393 PolarHBondContact OD1-OE2 2.98Å; E393-K397 WeakPolarHBondContact O-CG 3.48Å
394	V	98.1	Very high	97.8	Very high	48 Å²	48	66.5 Å²	66.5	29%	0.291	35%	0.35	S	S	.	.	H	α-helix	trans	-72.2	-43.3	173	-177.9	0	0	0	0	110.5	L380 P389 N391 N396 K397	L380-V394 HydrophobicContact CD1-CG1 4.19Å; L380-V394 HydrophobicContact CD2-CG1 3.52Å; P389-V394 HydrophobicContact CB-CB 3.92Å; P389-V394 HydrophobicContact CB-CG1 3.61Å; P389-V394 HydrophobicContact CG-CG1 3.91Å; N391-V394 HydrophobicContact CB-CB 4.41Å; N391-V394 HydrophobicContact CB-CG2 4.15Å; N391-V394 PolarHBondContact O-N 2.95Å; N391-V394 WeakPolarHBondContact OD1-CG2 3.37Å; N391-V394 PolarHBondContact OD1-N 2.98Å; V394-N396 PolarHBondContact O-N 3.16Å; V394-K397 WeakPolarHBondContact O-CB 3.49Å; V394-K397 PolarHBondContact O-N 3.23Å
395	L	98.2	Very high	97.8	Very high	4 Å²	4	63.3 Å²	63.3	2%	0.021	33%	0.334	C	S	.	.	H	α-helix	trans	-61.1	-32.4	176.9	-173.6	59.6	0	0	0	112	T265 A308 P310 Y378 I388 P389 N391 Q392 K397 V398	T265-L395 HydrophobicContact CG2-CD2 3.71Å; A308-L395 HydrophobicContact CB-CB 3.99Å; A308-L395 HydrophobicContact CB-CD2 3.64Å; A308-L395 HydrophobicContact CB-CG 3.6Å; P310-L395 HydrophobicContact CG-CD1 3.95Å; P310-L395 HydrophobicContact CG-CG 4.23Å; Y378-L395 HydrophobicContact CD2-CD1 4.48Å; Y378-L395 HydrophobicContact CE2-CD1 3.84Å; I388-L395 HydrophobicContact CG2-CD1 4.28Å; P389-L395 HydrophobicContact CB-CB 4.25Å; P389-L395 HydrophobicContact CG-CD1 4.45Å; N391-L395 PolarHBondContact O-N 3.36Å; Q392-L395 PolarHBondContact O-N 2.69Å; L395-K397 PolarHBondContact O-N 2.84Å; L395-V398 HydrophobicContact CD1-CG1 4.35Å; L395-V398 HydrophobicContact CD1-CG2 4.42Å; L395-V398 VanDerWaalsContact O-CG2 3.25Å; L395-V398 WeakPolarHBondContact O-CG2 3.21Å; L395-V398 PolarHBondContact O-N 2.99Å
396	N	97.1	Very high	97.9	Very high	96 Å²	96	65.9 Å²	65.9	51%	0.513	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-18.2	174.3	-82.9	-19.6	0	0	0	114.4	A308 Q392 V394	A308-N396 WeakPolarHBondContact CA-OD1 3.13Å; A308-N396 WeakPolarHBondContact CB-OD1 3.33Å; Q392-N396 PolarHBondContact NE2-ND2 3.04Å; Q392-N396 PolarHBondContact NE2-OD1 3.41Å; Q392-N396 VanDerWaalsContact NE2-OD1 3.09Å; Q392-N396 PolarHBondContact O-N 3.06Å; V394-N396 PolarHBondContact O-N 3.16Å
397	K	98.3	Very high	98	Very high	144 Å²	144	60.3 Å²	60.3	63%	0.626	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95	-4.9	-177.8	-68	174.1	-178.8	-177.1	0	113.2	L380 E393 V394 L395 E399	L380-K397 HydrophobicContact CD1-CB 3.77Å; E393-K397 WeakPolarHBondContact O-CG 3.48Å; V394-K397 WeakPolarHBondContact O-CB 3.49Å; V394-K397 PolarHBondContact O-N 3.23Å; L395-K397 PolarHBondContact O-N 2.84Å; K397-E399 PolarHBondContact O-N 3.48Å
398	V	98.4	Very high	98.1	Very high	18 Å²	18	55.9 Å²	55.9	11%	0.109	30%	0.295	C	S	.	.			trans	-68.6	135.5	-176.6	-54.1	0	0	0	0	110.4	P310 Y378 K379 I385 P389 L395	P310-V398 HydrophobicContact CB-CG2 3.75Å; P310-V398 HydrophobicContact CG-CG2 3.82Å; Y378-V398 HydrophobicContact CD1-CG2 4.22Å; Y378-V398 HydrophobicContact CD2-CB 4.01Å; Y378-V398 HydrophobicContact CD2-CG1 3.98Å; Y378-V398 HydrophobicContact CD2-CG2 3.83Å; Y378-V398 HydrophobicContact CE1-CG2 4.37Å; Y378-V398 HydrophobicContact CE2-CG2 3.94Å; Y378-V398 HydrophobicContact CG-CB 4.02Å; Y378-V398 HydrophobicContact CG-CG1 4.4Å; Y378-V398 HydrophobicContact CG-CG2 3.98Å; K379-V398 CarbonylContact O-C 3.37Å; K379-V398 VanDerWaalsContact O-CA 3.31Å; K379-V398 WeakPolarHBondContact O-CA 3.42Å; I385-V398 HydrophobicContact CD1-CG1 4.38Å; P389-V398 HydrophobicContact CG-CG1 3.97Å; L395-V398 HydrophobicContact CD1-CG1 4.35Å; L395-V398 HydrophobicContact CD1-CG2 4.42Å; L395-V398 VanDerWaalsContact O-CG2 3.25Å; L395-V398 WeakPolarHBondContact O-CG2 3.21Å; L395-V398 PolarHBondContact O-N 2.99Å
399	E	98.7	Very high	98	Very high	111 Å²	111	59 Å²	59	52%	0.519	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	112.2	170	-174.8	-160.1	134.3	0	0	108.6	K379 K397 Q401	K379-E399 HydrophobicContact CB-CB 4.26Å; K379-E399 PolarHBondContact N-O 2.93Å; K379-E399 PolarHBondContact O-N 2.8Å; K397-E399 PolarHBondContact O-N 3.48Å; E399-Q401 PolarHBondContact O-N 3.35Å; E399-Q401 PolarHBondContact O-NE2 3.04Å; E399-Q401 PolarHBondContact OE1-NE2 3.23Å
400	V	98.8	Very high	97.9	Very high	16 Å²	16	62.2 Å²	62.2	10%	0.097	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	128.2	-180	-174.9	0	0	0	0	110.6	P310 T311 Y378 Y402	P310-V400 HydrophobicContact CB-CG2 3.53Å; P310-V400 VanDerWaalsContact O-CG2 3.25Å; P310-V400 WeakPolarHBondContact O-CG2 3.45Å; T311-V400 HydrophobicContact CG2-CG1 4.02Å; T311-V400 HydrophobicContact CG2-CG2 4.29Å; Y378-V400 HydrophobicContact CD1-CB 4.45Å; Y378-V400 HydrophobicContact CD1-CG1 4.42Å; Y378-V400 HydrophobicContact CD1-CG2 3.96Å; Y378-V400 HydrophobicContact CE1-CB 4.45Å; Y378-V400 HydrophobicContact CE1-CG1 4.28Å; Y378-V400 HydrophobicContact CE1-CG2 3.67Å; V400-Y402 HydrophobicContact CB-CD2 4.34Å; V400-Y402 HydrophobicContact CB-CE1 4.5Å; V400-Y402 HydrophobicContact CB-CE2 3.67Å; V400-Y402 HydrophobicContact CG1-CD1 4.2Å; V400-Y402 HydrophobicContact CG1-CD2 4.15Å; V400-Y402 HydrophobicContact CG1-CE1 3.81Å; V400-Y402 HydrophobicContact CG1-CE2 3.75Å; V400-Y402 HydrophobicContact CG1-CG 4.37Å; V400-Y402 WeakPolarHBondContact O-CD2 3.28Å
401	Q	98.8	Very high	97.9	Very high	45 Å²	45	62.9 Å²	62.9	21%	0.21	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	125.1	169.8	-51.3	-58.2	-77.7	0	0	108.9	V376 A377 K379 I384 E399	V376-Q401 WeakPolarHBondContact CG2-O 3.39Å; V376-Q401 PolarHBondContact N-O 3.49Å; A377-Q401 HydrophobicContact CB-CB 4.18Å; A377-Q401 HydrophobicContact CB-CG 4.31Å; A377-Q401 PolarHBondContact O-N 3.13Å; K379-Q401 HydrophobicContact CD-CG 4.3Å; K379-Q401 VanDerWaalsContact CE-OE1 3.32Å; K379-Q401 HydrophobicContact CG-CG 4Å; I384-Q401 HydrophobicContact CD1-CG 3.9Å; E399-Q401 PolarHBondContact O-N 3.35Å; E399-Q401 PolarHBondContact O-NE2 3.04Å; E399-Q401 PolarHBondContact OE1-NE2 3.23Å
402	Y	98.9	Very high	98	Very high	78 Å²	78	59.5 Å²	59.5	31%	0.306	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	140.8	-174.2	-69.7	-82.3	0	0	0	112.5	T311 W340 K373 V374 V400	T311-Y402 WeakPolarHBondContact CA-OH 3.43Å; T311-Y402 HydrophobicContact CG2-CE1 3.97Å; W340-Y402 HydrophobicContact CB-CE1 4.09Å; W340-Y402 AromaticContact CD1-CE1 3.94Å; W340-Y402 HydrophobicContact CG-CE1 4.35Å; K373-Y402 HydrophobicContact CB-CD1 3.74Å; K373-Y402 HydrophobicContact CB-CE1 4.41Å; K373-Y402 HydrophobicContact CB-CG 4.22Å; K373-Y402 HydrophobicContact CD-CG 4.4Å; V374-Y402 CarbonylContact O-C 3.58Å; V374-Y402 WeakPolarHBondContact O-CA 3.48Å; V400-Y402 HydrophobicContact CB-CD2 4.34Å; V400-Y402 HydrophobicContact CB-CE1 4.5Å; V400-Y402 HydrophobicContact CB-CE2 3.67Å; V400-Y402 HydrophobicContact CG1-CD1 4.2Å; V400-Y402 HydrophobicContact CG1-CD2 4.15Å; V400-Y402 HydrophobicContact CG1-CE1 3.81Å; V400-Y402 HydrophobicContact CG1-CE2 3.75Å; V400-Y402 HydrophobicContact CG1-CG 4.37Å; V400-Y402 WeakPolarHBondContact O-CD2 3.28Å
403	K	98.7	Very high	98.1	Very high	108 Å²	108	60.4 Å²	60.4	47%	0.47	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	125.6	158.1	-178.4	65.2	173.1	-179.7	0	108.7	K373 V374 V376 L405 F431	K373-K403 WeakPolarHBondContact CA-O 3.43Å; V374-K403 PolarHBondContact N-O 3.07Å; V374-K403 PolarHBondContact O-N 3.34Å; V376-K403 HydrophobicContact CG1-CB 3.87Å; K403-L405 HydrophobicContact CG-CD2 4.07Å; K403-L405 HydrophobicContact CG-CG 4.39Å; K403-F431 HydrophobicContact CB-CZ 3.92Å; K403-F431 HydrophobicContact CG-CE2 4.01Å; K403-F431 HydrophobicContact CG-CZ 3.78Å
404	T	98.8	Very high	98.2	Very high	68 Å²	68	61.6 Å²	61.6	42%	0.417	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	127.9	170.8	-52.9	0	0	0	0	109.6	E371	E371-T404 HydrophobicContact CB-CG2 3.85Å; E371-T404 HydrophobicContact CG-CG2 4.48Å
405	L	98.8	Very high	98.2	Very high	25 Å²	25	59.8 Å²	59.8	13%	0.131	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	144.3	175.8	-61.7	174.9	0	0	0	109.4	E371 I372 V374 K403 G407 Y428 F431	E371-L405 WeakPolarHBondContact CA-O 3.35Å; I372-L405 PolarHBondContact N-O 3.47Å; I372-L405 PolarHBondContact O-N 2.9Å; V374-L405 HydrophobicContact CG2-CD1 4.16Å; K403-L405 HydrophobicContact CG-CD2 4.07Å; K403-L405 HydrophobicContact CG-CG 4.39Å; L405-G407 PolarHBondContact O-N 2.92Å; L405-Y428 HydrophobicContact CD1-CD2 3.74Å; L405-Y428 HydrophobicContact CD1-CE2 4.21Å; L405-F431 HydrophobicContact CD1-CB 4.19Å; L405-F431 HydrophobicContact CD1-CD1 3.69Å; L405-F431 HydrophobicContact CD1-CE1 4.22Å; L405-F431 HydrophobicContact CD1-CG 3.9Å; L405-F431 HydrophobicContact CD2-CD2 4.47Å
406	P	98.7	Very high	98.1	Very high	77 Å²	77	64.5 Å²	64.5	50%	0.5	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	133.8	174.1	30.2	-34.2	0	0	0	109.7	N424	P406-N424 WeakPolarHBondContact O-CB 3.45Å
407	G	98.4	Very high	98.2	Very high	4 Å²	4	61.3 Å²	61.3	4%	0.041	32%	0.316	C	S	.	.			trans	-76.2	175.4	171.2	0	0	0	0	0	112.3	F369 T370 L405 N424	F369-G407 WeakPolarHBondContact O-CA 3.36Å; T370-G407 PolarHBondContact O-N 2.93Å; L405-G407 PolarHBondContact O-N 2.92Å; G407-N424 PolarHBondContact O-ND2 2.87Å
408	W	98.6	Very high	98.2	Very high	14 Å²	14	56.7 Å²	56.7	5%	0.053	30%	0.296	C	S	.	.			trans	-109.5	-13.6	-175.5	47.8	93.3	0	0	0	114.9	L363 L366 D367 I372 T410 I412 P422 N424 A425 Y428	L363-W408 HydrophobicContact CD1-CH2 3.57Å; L363-W408 HydrophobicContact CD1-CZ2 3.95Å; L363-W408 HydrophobicContact CG-CH2 4.08Å; L363-W408 HydrophobicContact CG-CZ2 3.96Å; L366-W408 HydrophobicContact CB-CH2 3.66Å; L366-W408 HydrophobicContact CB-CZ2 3.65Å; L366-W408 HydrophobicContact CD1-CH2 4.16Å; D367-W408 PolarHBondContact OD1-NE1 3.31Å; I372-W408 HydrophobicContact CD1-CE3 4.08Å; I372-W408 HydrophobicContact CD1-CH2 3.76Å; I372-W408 HydrophobicContact CD1-CZ3 3.43Å; I372-W408 VanDerWaalsContact CD1-CZ3 3.43Å; W408-T410 VanDerWaalsContact CD1-O 3.26Å; W408-T410 PolarHBondContact O-N 3.22Å; W408-T410 PolarHBondContact O-OG1 3.39Å; W408-I412 HydrophobicContact CZ2-CD1 4.41Å; W408-P422 HydrophobicContact CB-CB 3.99Å; W408-P422 HydrophobicContact CB-CG 3.54Å; W408-P422 HydrophobicContact CG-CG 3.74Å; W408-N424 HydrophobicContact CB-CB 4.07Å; W408-N424 HydrophobicContact CE3-CB 4.38Å; W408-A425 HydrophobicContact CD2-CB 3.67Å; W408-A425 VanDerWaalsContact CE3-CA 3.49Å; W408-A425 HydrophobicContact CE3-CB 3.77Å; W408-A425 HydrophobicContact CG-CB 4.1Å; W408-A425 HydrophobicContact CH2-CB 4.38Å; W408-A425 HydrophobicContact CZ2-CB 4.29Å; W408-A425 HydrophobicContact CZ3-CB 4.13Å; W408-Y428 HydrophobicContact CH2-CG 4.42Å; W408-Y428 HydrophobicContact CZ3-CG 4.15Å
409	N	95.9	Very high	98.2	Very high	91 Å²	91	64.1 Å²	64.1	49%	0.487	33%	0.327	S	S	.	.			trans	48	34.7	173.2	-56	-68.9	0	0	0	114.3	D367 F369 T370	D367-N409 CarbonylContact O-C 3.5Å; D367-N409 WeakPolarHBondContact O-CA 3.36Å; D367-N409 PolarHBondContact O-N 3.13Å; F369-N409 PolarHBondContact O-OD1 2.9Å; T370-N409 WeakPolarHBondContact CG2-OD1 3.42Å
410	T	97.4	Very high	98.2	Very high	78 Å²	78	63.8 Å²	63.8	48%	0.479	33%	0.325	S	S	.	.	S	Bend	trans	-143.4	138.7	-173.3	-53.9	0	0	0	0	108.8	D367 W408 I412	D367-T410 WeakPolarHBondContact CB-O 3.4Å; D367-T410 PolarHBondContact O-N 3.48Å; W408-T410 VanDerWaalsContact CD1-O 3.26Å; W408-T410 PolarHBondContact O-N 3.22Å; W408-T410 PolarHBondContact O-OG1 3.39Å; T410-I412 PolarHBondContact O-N 2.82Å
411	D	98.2	Very high	98.2	Very high	107 Å²	107	63.2 Å²	63.2	57%	0.572	32%	0.322	S	S	*	.			trans	-69.9	119.7	176.9	-176.5	-8.8	0	0	0	111	D367 S413	D367-D411 WeakPolarHBondContact OD2-CA 3.4Å; D411-S413 WeakPolarHBondContact OD1-CB 3.12Å; D411-S413 PolarHBondContact OD1-N 3.49Å; D411-S413 PolarHBondContact OD1-OG 2.83Å; D411-S413 PolarHBondContact OD2-OG 2.52Å
412	I	98.4	Very high	98.1	Very high	5 Å²	5	62.8 Å²	62.8	3%	0.026	32%	0.323	C	S	.	.			trans	-102.8	3	179	72	-179.2	0	0	0	113.4	L363 D364 D367 W408 T410 N414 A415 L421 P422 V445	L363-I412 HydrophobicContact CB-CD1 3.97Å; L363-I412 HydrophobicContact CD2-CD1 3.85Å; L363-I412 HydrophobicContact CG-CD1 3.68Å; D364-I412 HydrophobicContact CB-CG1 4.09Å; D367-I412 WeakPolarHBondContact OD1-CD1 3.23Å; D367-I412 WeakPolarHBondContact OD1-CG1 3.39Å; D367-I412 PolarHBondContact OD2-N 2.92Å; W408-I412 HydrophobicContact CZ2-CD1 4.41Å; T410-I412 PolarHBondContact O-N 2.82Å; I412-N414 PolarHBondContact O-N 2.91Å; I412-A415 VanDerWaalsContact O-CB 3.28Å; I412-A415 WeakPolarHBondContact O-CB 3.21Å; I412-A415 PolarHBondContact O-N 3.46Å; I412-L421 HydrophobicContact CB-CD2 3.96Å; I412-L421 HydrophobicContact CD1-CD2 4.12Å; I412-L421 HydrophobicContact CG1-CD2 4.49Å; I412-L421 HydrophobicContact CG2-CD2 4.24Å; I412-P422 HydrophobicContact CG2-CG 3.95Å; I412-V445 HydrophobicContact CD1-CG1 3.83Å; I412-V445 HydrophobicContact CG1-CB 4.15Å; I412-V445 HydrophobicContact CG1-CG1 3.92Å
413	S	97.1	Very high	98.1	Very high	32 Å²	32	63.6 Å²	63.6	22%	0.224	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-22.8	-169.5	63.6	0	0	0	0	114.9	D411 R416 V445	D411-S413 WeakPolarHBondContact OD1-CB 3.12Å; D411-S413 PolarHBondContact OD1-N 3.49Å; D411-S413 PolarHBondContact OD1-OG 2.83Å; D411-S413 PolarHBondContact OD2-OG 2.52Å; S413-R416 PolarHBondContact O-NH1 2.82Å; S413-V445 VanDerWaalsContact CA-O 3.22Å; S413-V445 WeakPolarHBondContact CA-O 3.31Å
414	N	97.4	Very high	98.1	Very high	125 Å²	125	61 Å²	61	67%	0.668	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95	-4.1	178	-64.6	-50	0	0	0	114.1	I412 R416	I412-N414 PolarHBondContact O-N 2.91Å; N414-R416 PolarHBondContact O-NH1 3.03Å
415	A	97.9	Very high	98.1	Very high	10 Å²	10	57.8 Å²	57.8	8%	0.083	31%	0.307	C	S	.	.			trans	-66.1	136	177	0	0	0	0	0	111.1	I412 E420 L421 I453	I412-A415 VanDerWaalsContact O-CB 3.28Å; I412-A415 WeakPolarHBondContact O-CB 3.21Å; I412-A415 PolarHBondContact O-N 3.46Å; A415-E420 HydrophobicContact CB-CB 4.19Å; A415-L421 HydrophobicContact CB-CD2 3.79Å; A415-I453 HydrophobicContact CB-CD1 3.88Å
416	R	97.7	Very high	98.1	Very high	103 Å²	103	57.9 Å²	57.9	39%	0.389	31%	0.307	S	S	.	.			trans	-126.8	-7.9	179.6	-62	-61.3	177.4	-90.5	-1	113	S413 N414 E420 E450	S413-R416 PolarHBondContact O-NH1 2.82Å; N414-R416 PolarHBondContact O-NH1 3.03Å; R416-E420 PolarHBondContact N-OE2 3.05Å; R416-E450 WeakPolarHBondContact CD-O 3.5Å; R416-E450 PolarHBondContact NE-O 3.16Å
417	A	97.8	Very high	98.2	Very high	29 Å²	29	57.6 Å²	57.6	24%	0.24	30%	0.302	C	S	.	.	S	Bend	trans	-133	150.8	170.9	0	0	0	0	0	111.7	K419 E420	A417-K419 HydrophobicContact CB-CG 4.05Å; A417-K419 PolarHBondContact O-N 2.85Å; A417-E420 HydrophobicContact CB-CG 4.15Å; A417-E420 PolarHBondContact N-OE2 2.9Å; A417-E420 VanDerWaalsContact O-CB 3.31Å; A417-E420 WeakPolarHBondContact O-CB 3.46Å; A417-E420 PolarHBondContact O-N 2.81Å
418	F	98.5	Very high	98.2	Very high	47 Å²	47	57.6 Å²	57.6	21%	0.206	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-57.8	-36.2	-178.8	-175.5	-109.1	0	0	0	113.1	E420 L421 Q426 V429 I443 L455	F418-E420 PolarHBondContact O-N 3.21Å; F418-L421 HydrophobicContact CD2-CD1 3.88Å; F418-L421 HydrophobicContact CE2-CD1 4.25Å; F418-L421 WeakPolarHBondContact O-CB 3.37Å; F418-L421 PolarHBondContact O-N 3.09Å; F418-L421 VanDerWaalsContact O-N 3.14Å; F418-Q426 HydrophobicContact CD1-CG 4.49Å; F418-Q426 HydrophobicContact CE1-CB 4.17Å; F418-Q426 HydrophobicContact CE1-CG 4.01Å; F418-Q426 HydrophobicContact CE2-CB 4.18Å; F418-Q426 HydrophobicContact CE2-CG 4.09Å; F418-Q426 HydrophobicContact CZ-CB 3.66Å; F418-Q426 HydrophobicContact CZ-CG 3.8Å; F418-Q426 PolarHBondContact O-NE2 3.13Å; F418-V429 HydrophobicContact CE2-CB 4.14Å; F418-V429 HydrophobicContact CE2-CG1 4.09Å; F418-V429 HydrophobicContact CE2-CG2 4.3Å; F418-I443 HydrophobicContact CD2-CD1 3.71Å; F418-I443 HydrophobicContact CE2-CD1 3.97Å; F418-L455 HydrophobicContact CB-CG 4.26Å; F418-L455 HydrophobicContact CD2-CD1 4.37Å; F418-L455 HydrophobicContact CD2-CD2 3.9Å; F418-L455 HydrophobicContact CD2-CG 4.25Å; F418-L455 HydrophobicContact CE2-CD2 4.2Å; F418-L455 HydrophobicContact CG-CD2 4.26Å; F418-L455 HydrophobicContact CG-CG 4.37Å
419	K	98.1	Very high	98.2	Very high	174 Å²	174	56.9 Å²	56.9	76%	0.757	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-63.9	-18	176.1	67.9	-177.9	179.8	-179.1	0	114.3	A417	A417-K419 HydrophobicContact CB-CG 4.05Å; A417-K419 PolarHBondContact O-N 2.85Å
420	E	98.4	Very high	98.3	Very high	103 Å²	103	56.9 Å²	56.9	48%	0.481	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-87.2	-14.6	179	-61.6	164.4	-171.8	0	0	111.8	A415 R416 A417 F418	A415-E420 HydrophobicContact CB-CB 4.19Å; R416-E420 PolarHBondContact N-OE2 3.05Å; A417-E420 HydrophobicContact CB-CG 4.15Å; A417-E420 PolarHBondContact N-OE2 2.9Å; A417-E420 VanDerWaalsContact O-CB 3.31Å; A417-E420 WeakPolarHBondContact O-CB 3.46Å; A417-E420 PolarHBondContact O-N 2.81Å; F418-E420 PolarHBondContact O-N 3.21Å
421	L	98.7	Very high	98.4	Very high	5 Å²	5	54.5 Å²	54.5	3%	0.026	27%	0.274	C	S	.	.	S	Bend	trans	-70.6	142.4	173.1	-64.2	177.8	0	0	0	110.3	L363 I412 A415 F418 A425 Q426 I443 V445 I453	L363-L421 HydrophobicContact CD2-CD1 4.49Å; I412-L421 HydrophobicContact CB-CD2 3.96Å; I412-L421 HydrophobicContact CD1-CD2 4.12Å; I412-L421 HydrophobicContact CG1-CD2 4.49Å; I412-L421 HydrophobicContact CG2-CD2 4.24Å; A415-L421 HydrophobicContact CB-CD2 3.79Å; F418-L421 HydrophobicContact CD2-CD1 3.88Å; F418-L421 HydrophobicContact CE2-CD1 4.25Å; F418-L421 WeakPolarHBondContact O-CB 3.37Å; F418-L421 PolarHBondContact O-N 3.09Å; F418-L421 VanDerWaalsContact O-N 3.14Å; L421-A425 HydrophobicContact CB-CB 4.27Å; L421-Q426 HydrophobicContact CB-CG 3.82Å; L421-Q426 PolarHBondContact O-NE2 3.49Å; L421-I443 HydrophobicContact CD1-CD1 3.74Å; L421-V445 HydrophobicContact CD2-CG1 4.3Å; L421-I453 HydrophobicContact CD1-CD1 4.19Å; L421-I453 HydrophobicContact CD2-CD1 3.93Å; L421-I453 HydrophobicContact CG-CD1 4.03Å
422	P	98.6	Very high	98.4	Very high	36 Å²	36	49.5 Å²	49.5	23%	0.234	25%	0.247	C	C	.	.			trans	-62.6	153.3	173.8	25.9	-32.6	0	0	0	111	W408 I412 N424 A425 Q426	W408-P422 HydrophobicContact CB-CB 3.99Å; W408-P422 HydrophobicContact CB-CG 3.54Å; W408-P422 HydrophobicContact CG-CG 3.74Å; I412-P422 HydrophobicContact CG2-CG 3.95Å; P422-N424 PolarHBondContact O-N 2.86Å; P422-N424 VanDerWaalsContact O-N 3.13Å; P422-A425 HydrophobicContact CG-CB 3.77Å; P422-A425 WeakPolarHBondContact O-CA 3.49Å; P422-A425 WeakPolarHBondContact O-CB 2.96Å; P422-A425 PolarHBondContact O-N 3.49Å; P422-Q426 PolarHBondContact O-N 3.02Å
423	V	98.7	Very high	98.5	Very high	94 Å²	94	51.2 Å²	51.2	57%	0.57	26%	0.255	S	S	*	.	H	α-helix	trans	-51.7	-42.9	-174.6	174	0	0	0	0	112.3	A425 Q426 N427	V423-A425 PolarHBondContact O-N 3.07Å; V423-Q426 PolarHBondContact O-N 2.89Å; V423-N427 WeakPolarHBondContact O-CB 3.35Å; V423-N427 PolarHBondContact O-N 2.8Å; V423-N427 PolarHBondContact O-ND2 3.17Å; V423-N427 PolarHBondContact O-OD1 3.05Å
424	N	98.8	Very high	98.5	Very high	54 Å²	54	54.7 Å²	54.7	29%	0.289	27%	0.271	S	S	.	.	H	α-helix	trans	-69.1	-32.9	-179.9	-69.6	-9	0	0	0	112.9	P406 G407 W408 P422 N427 Y428	P406-N424 WeakPolarHBondContact O-CB 3.45Å; G407-N424 PolarHBondContact O-ND2 2.87Å; W408-N424 HydrophobicContact CB-CB 4.07Å; W408-N424 HydrophobicContact CE3-CB 4.38Å; P422-N424 PolarHBondContact O-N 2.86Å; P422-N424 VanDerWaalsContact O-N 3.13Å; N424-N427 PolarHBondContact O-N 3.35Å; N424-Y428 WeakPolarHBondContact O-CB 3.36Å; N424-Y428 PolarHBondContact O-N 2.88Å
425	A	98.8	Very high	98.6	Very high	0 Å²	0	53 Å²	53	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-69.4	-42.1	172.6	0	0	0	0	0	111.4	L363 W408 L421 P422 V423 N427 Y428 V429	L363-A425 HydrophobicContact CD2-CB 4.49Å; W408-A425 HydrophobicContact CD2-CB 3.67Å; W408-A425 VanDerWaalsContact CE3-CA 3.49Å; W408-A425 HydrophobicContact CE3-CB 3.77Å; W408-A425 HydrophobicContact CG-CB 4.1Å; W408-A425 HydrophobicContact CH2-CB 4.38Å; W408-A425 HydrophobicContact CZ2-CB 4.29Å; W408-A425 HydrophobicContact CZ3-CB 4.13Å; L421-A425 HydrophobicContact CB-CB 4.27Å; P422-A425 HydrophobicContact CG-CB 3.77Å; P422-A425 WeakPolarHBondContact O-CA 3.49Å; P422-A425 WeakPolarHBondContact O-CB 2.96Å; P422-A425 PolarHBondContact O-N 3.49Å; V423-A425 PolarHBondContact O-N 3.07Å; A425-N427 VanDerWaalsContact C-N 3.29Å; A425-N427 PolarHBondContact O-N 2.97Å; A425-Y428 WeakPolarHBondContact O-CB 3.42Å; A425-Y428 PolarHBondContact O-N 2.98Å; A425-V429 WeakPolarHBondContact O-CG2 3.09Å; A425-V429 PolarHBondContact O-N 2.65Å; A425-V429 VanDerWaalsContact O-N 3.12Å
426	Q	98.9	Very high	98.6	Very high	27 Å²	27	52.7 Å²	52.7	13%	0.126	26%	0.256	C	S	.	.	H	α-helix	trans	-60.7	-41.1	173.2	-63.2	-178.8	20.6	0	0	111.4	F418 L421 P422 V423 Y428 V429 R430	F418-Q426 HydrophobicContact CD1-CG 4.49Å; F418-Q426 HydrophobicContact CE1-CB 4.17Å; F418-Q426 HydrophobicContact CE1-CG 4.01Å; F418-Q426 HydrophobicContact CE2-CB 4.18Å; F418-Q426 HydrophobicContact CE2-CG 4.09Å; F418-Q426 HydrophobicContact CZ-CB 3.66Å; F418-Q426 HydrophobicContact CZ-CG 3.8Å; F418-Q426 PolarHBondContact O-NE2 3.13Å; L421-Q426 HydrophobicContact CB-CG 3.82Å; L421-Q426 PolarHBondContact O-NE2 3.49Å; P422-Q426 PolarHBondContact O-N 3.02Å; V423-Q426 PolarHBondContact O-N 2.89Å; Q426-Y428 VanDerWaalsContact C-N 3.34Å; Q426-V429 WeakPolarHBondContact O-CB 3.16Å; Q426-V429 PolarHBondContact O-N 2.72Å; Q426-R430 WeakPolarHBondContact O-CG 3.33Å; Q426-R430 PolarHBondContact O-N 3.4Å
427	N	98.8	Very high	98.6	Very high	72 Å²	72	54.9 Å²	54.9	39%	0.385	27%	0.271	S	S	.	.	H	α-helix	trans	-69.1	-32.1	178.1	-69.7	-12.7	0	0	0	112.4	V423 N424 A425 R430 F431	V423-N427 WeakPolarHBondContact O-CB 3.35Å; V423-N427 PolarHBondContact O-N 2.8Å; V423-N427 PolarHBondContact O-ND2 3.17Å; V423-N427 PolarHBondContact O-OD1 3.05Å; N424-N427 PolarHBondContact O-N 3.35Å; A425-N427 VanDerWaalsContact C-N 3.29Å; A425-N427 PolarHBondContact O-N 2.97Å; N427-R430 PolarHBondContact O-N 2.94Å; N427-R430 PolarHBondContact OD1-NH1 3.29Å; N427-F431 VanDerWaalsContact O-CB 3.25Å; N427-F431 WeakPolarHBondContact O-CB 3.04Å; N427-F431 PolarHBondContact O-N 3.47Å
428	Y	98.9	Very high	98.7	Very high	3 Å²	3	53.7 Å²	53.7	1%	0.012	26%	0.26	C	S	.	.	H	α-helix	trans	-62.2	-43.4	171.4	-173.2	-94.1	0	0	0	111.7	A299 L341 L360 L363 L366 I372 V374 L405 W408 N424 A425 Q426 F431 I432	A299-Y428 HydrophobicContact CB-CE1 4.25Å; A299-Y428 PolarHBondContact O-OH 3.44Å; L341-Y428 WeakPolarHBondContact CB-OH 3.49Å; L341-Y428 HydrophobicContact CD2-CE1 4.47Å; L341-Y428 VanDerWaalsContact CD2-OH 3.26Å; L341-Y428 WeakPolarHBondContact CD2-OH 3.39Å; L360-Y428 HydrophobicContact CD2-CD1 4.43Å; L360-Y428 HydrophobicContact CD2-CE1 4.48Å; L363-Y428 HydrophobicContact CD1-CD1 3.64Å; L363-Y428 HydrophobicContact CD1-CE1 3.97Å; L366-Y428 HydrophobicContact CD1-CE1 4.04Å; L366-Y428 HydrophobicContact CD1-CE2 4.29Å; I372-Y428 HydrophobicContact CB-CE2 4.49Å; I372-Y428 HydrophobicContact CD1-CD2 4.46Å; I372-Y428 HydrophobicContact CG2-CD2 4.33Å; I372-Y428 HydrophobicContact CG2-CE2 3.63Å; V374-Y428 HydrophobicContact CG2-CE2 3.69Å; L405-Y428 HydrophobicContact CD1-CD2 3.74Å; L405-Y428 HydrophobicContact CD1-CE2 4.21Å; W408-Y428 HydrophobicContact CH2-CG 4.42Å; W408-Y428 HydrophobicContact CZ3-CG 4.15Å; N424-Y428 WeakPolarHBondContact O-CB 3.36Å; N424-Y428 PolarHBondContact O-N 2.88Å; A425-Y428 WeakPolarHBondContact O-CB 3.42Å; A425-Y428 PolarHBondContact O-N 2.98Å; Q426-Y428 VanDerWaalsContact C-N 3.34Å; Y428-F431 PolarHBondContact O-N 2.94Å; Y428-I432 HydrophobicContact CD1-CD1 3.91Å; Y428-I432 HydrophobicContact CE1-CD1 3.52Å; Y428-I432 WeakPolarHBondContact O-CG1 3.36Å; Y428-I432 PolarHBondContact O-N 3.01Å
429	V	98.9	Very high	98.7	Very high	0 Å²	0	54 Å²	54	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-62	-51.8	174.7	176.7	0	0	0	0	110.6	L360 L363 F418 A425 Q426 F431 I432 E433 V440 I443	L360-V429 HydrophobicContact CD2-CG2 3.95Å; L363-V429 HydrophobicContact CD2-CG2 4.19Å; F418-V429 HydrophobicContact CE2-CB 4.14Å; F418-V429 HydrophobicContact CE2-CG1 4.09Å; F418-V429 HydrophobicContact CE2-CG2 4.3Å; A425-V429 WeakPolarHBondContact O-CG2 3.09Å; A425-V429 PolarHBondContact O-N 2.65Å; A425-V429 VanDerWaalsContact O-N 3.12Å; Q426-V429 WeakPolarHBondContact O-CB 3.16Å; Q426-V429 PolarHBondContact O-N 2.72Å; V429-F431 VanDerWaalsContact C-N 3.29Å; V429-F431 PolarHBondContact O-N 3.27Å; V429-I432 WeakPolarHBondContact O-CB 3.28Å; V429-I432 PolarHBondContact O-N 3.33Å; V429-I432 VanDerWaalsContact O-N 3.1Å; V429-E433 PolarHBondContact O-N 2.92Å; V429-E433 VanDerWaalsContact O-N 3.07Å; V429-V440 HydrophobicContact CG1-CB 3.97Å; V429-V440 HydrophobicContact CG1-CG1 4.13Å; V429-V440 HydrophobicContact CG1-CG2 4.06Å; V429-I443 HydrophobicContact CG1-CD1 4.13Å; V429-I443 HydrophobicContact CG2-CD1 3.67Å; V429-I443 HydrophobicContact CG2-CG1 4.35Å
430	R	98.9	Very high	98.7	Very high	90 Å²	90	45.7 Å²	45.7	34%	0.34	23%	0.231	S	C	.	.	H	α-helix	trans	-59	-39.7	179.2	-69.9	173.2	-172.5	122.7	4.5	112.2	Q426 N427 I432 E433 D434	Q426-R430 WeakPolarHBondContact O-CG 3.33Å; Q426-R430 PolarHBondContact O-N 3.4Å; N427-R430 PolarHBondContact O-N 2.94Å; N427-R430 PolarHBondContact OD1-NH1 3.29Å; R430-I432 VanDerWaalsContact C-N 3.29Å; R430-I432 PolarHBondContact O-N 2.85Å; R430-E433 PolarHBondContact O-N 3.48Å; R430-E433 VanDerWaalsContact O-N 3.16Å; R430-D434 WeakPolarHBondContact O-CB 3.47Å; R430-D434 PolarHBondContact O-N 3.44Å
431	F	98.9	Very high	98.7	Very high	29 Å²	29	41.9 Å²	41.9	13%	0.127	21%	0.212	C	C	.	.	H	α-helix	trans	-58.9	-40.9	176.7	-179.8	-103.1	0	0	0	112.2	L343 V374 V376 K403 L405 N427 Y428 V429 E435	L343-F431 HydrophobicContact CD1-CD1 4.21Å; L343-F431 HydrophobicContact CD1-CE1 3.63Å; L343-F431 HydrophobicContact CD1-CZ 4.26Å; V374-F431 HydrophobicContact CB-CE1 4Å; V374-F431 HydrophobicContact CG1-CE1 3.86Å; V374-F431 HydrophobicContact CG2-CE1 4.36Å; V376-F431 HydrophobicContact CG1-CE1 4.26Å; V376-F431 HydrophobicContact CG1-CZ 3.8Å; K403-F431 HydrophobicContact CB-CZ 3.92Å; K403-F431 HydrophobicContact CG-CE2 4.01Å; K403-F431 HydrophobicContact CG-CZ 3.78Å; L405-F431 HydrophobicContact CD1-CB 4.19Å; L405-F431 HydrophobicContact CD1-CD1 3.69Å; L405-F431 HydrophobicContact CD1-CE1 4.22Å; L405-F431 HydrophobicContact CD1-CG 3.9Å; L405-F431 HydrophobicContact CD2-CD2 4.47Å; N427-F431 VanDerWaalsContact O-CB 3.25Å; N427-F431 WeakPolarHBondContact O-CB 3.04Å; N427-F431 PolarHBondContact O-N 3.47Å; Y428-F431 PolarHBondContact O-N 2.94Å; V429-F431 VanDerWaalsContact C-N 3.29Å; V429-F431 PolarHBondContact O-N 3.27Å; F431-E435 HydrophobicContact CD2-CG 4.29Å; F431-E435 HydrophobicContact CE1-CG 4.19Å; F431-E435 HydrophobicContact CE2-CG 3.88Å; F431-E435 HydrophobicContact CZ-CG 3.83Å; F431-E435 WeakPolarHBondContact O-CB 3.37Å; F431-E435 VanDerWaalsContact O-CG 3.26Å; F431-E435 WeakPolarHBondContact O-CG 3.33Å; F431-E435 PolarHBondContact O-N 2.91Å; F431-E435 VanDerWaalsContact O-N 3.09Å
432	I	98.8	Very high	98.7	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.005	21%	0.212	C	C	.	.	H	α-helix	trans	-66.7	-44.5	175.5	-63.8	165.6	0	0	0	110.7	L341 L343 L358 L360 Y428 V429 R430 L436	L341-I432 HydrophobicContact CD2-CD1 3.55Å; L341-I432 HydrophobicContact CD2-CG1 3.75Å; L343-I432 HydrophobicContact CD2-CG1 4.38Å; L358-I432 HydrophobicContact CD1-CG2 4.22Å; L360-I432 HydrophobicContact CD1-CD1 3.85Å; L360-I432 HydrophobicContact CD2-CD1 3.79Å; L360-I432 HydrophobicContact CG-CD1 4.48Å; Y428-I432 HydrophobicContact CD1-CD1 3.91Å; Y428-I432 HydrophobicContact CE1-CD1 3.52Å; Y428-I432 WeakPolarHBondContact O-CG1 3.36Å; Y428-I432 PolarHBondContact O-N 3.01Å; V429-I432 WeakPolarHBondContact O-CB 3.28Å; V429-I432 PolarHBondContact O-N 3.33Å; V429-I432 VanDerWaalsContact O-N 3.1Å; R430-I432 VanDerWaalsContact C-N 3.29Å; R430-I432 PolarHBondContact O-N 2.85Å; I432-L436 HydrophobicContact CG2-CD1 3.77Å; I432-L436 HydrophobicContact CG2-CG 4.47Å; I432-L436 WeakPolarHBondContact O-CB 3.4Å; I432-L436 WeakPolarHBondContact O-CG 3.44Å; I432-L436 PolarHBondContact O-N 2.95Å; I432-L436 VanDerWaalsContact O-N 3.07Å
433	E	98.8	Very high	98.7	Very high	42 Å²	42	40.1 Å²	40.1	20%	0.196	20%	0.201	C	C	.	.	H	α-helix	trans	-60.5	-44.9	177.4	-67	-177.7	121.1	0	0	111.8	V429 R430 Q437 I438 P439 V440	V429-E433 PolarHBondContact O-N 2.92Å; V429-E433 VanDerWaalsContact O-N 3.07Å; R430-E433 PolarHBondContact O-N 3.48Å; R430-E433 VanDerWaalsContact O-N 3.16Å; E433-Q437 WeakPolarHBondContact O-CA 3.33Å; E433-Q437 PolarHBondContact O-N 2.79Å; E433-I438 PolarHBondContact O-N 3.46Å; E433-P439 WeakPolarHBondContact OE1-CA 3.31Å; E433-V440 HydrophobicContact CG-CB 4.08Å; E433-V440 HydrophobicContact CG-CG2 3.63Å; E433-V440 PolarHBondContact OE1-N 2.88Å
434	D	98.7	Very high	98.7	Very high	104 Å²	104	35.8 Å²	35.8	56%	0.556	18%	0.175	S	C	*	.	H	α-helix	trans	-66.7	-43.9	-177.8	-71.1	-23.7	0	0	0	111.7	R430 Q437	R430-D434 WeakPolarHBondContact O-CB 3.47Å; R430-D434 PolarHBondContact O-N 3.44Å; D434-Q437 PolarHBondContact O-NE2 2.97Å
435	E	98.5	Very high	98.7	Very high	91 Å²	91	33.2 Å²	33.2	43%	0.425	16%	0.161	S	C	.	.	H	α-helix	trans	-72	-37.9	-179.5	-70.4	-70.9	133.5	0	0	112.2	L343 F431	L343-E435 HydrophobicContact CD1-CB 3.58Å; L343-E435 HydrophobicContact CD1-CG 3.68Å; F431-E435 HydrophobicContact CD2-CG 4.29Å; F431-E435 HydrophobicContact CE1-CG 4.19Å; F431-E435 HydrophobicContact CE2-CG 3.88Å; F431-E435 HydrophobicContact CZ-CG 3.83Å; F431-E435 WeakPolarHBondContact O-CB 3.37Å; F431-E435 VanDerWaalsContact O-CG 3.26Å; F431-E435 WeakPolarHBondContact O-CG 3.33Å; F431-E435 PolarHBondContact O-N 2.91Å; F431-E435 VanDerWaalsContact O-N 3.09Å
436	L	98.1	Very high	98.4	Very high	3 Å²	3	34 Å²	34	2%	0.016	17%	0.169	C	C	.	.	H	α-helix	trans	-85.6	-26.5	-178.4	-62.3	-179.5	0	0	0	112.8	L346 K347 L358 I432 I438	L346-L436 HydrophobicContact CB-CD1 4.08Å; L346-L436 HydrophobicContact CB-CD2 4.08Å; L346-L436 HydrophobicContact CD1-CD1 4.42Å; K347-L436 HydrophobicContact CB-CD2 4.04Å; K347-L436 HydrophobicContact CD-CD2 4.12Å; K347-L436 PolarHBondContact NZ-O 2.96Å; K347-L436 VanDerWaalsContact NZ-O 3.16Å; L358-L436 HydrophobicContact CD1-CD1 3.78Å; I432-L436 HydrophobicContact CG2-CD1 3.77Å; I432-L436 HydrophobicContact CG2-CG 4.47Å; I432-L436 WeakPolarHBondContact O-CB 3.4Å; I432-L436 WeakPolarHBondContact O-CG 3.44Å; I432-L436 PolarHBondContact O-N 2.95Å; I432-L436 VanDerWaalsContact O-N 3.07Å; L436-I438 VanDerWaalsContact C-N 3.34Å; L436-I438 HydrophobicContact CB-CB 4.41Å; L436-I438 HydrophobicContact CB-CD1 3.83Å; L436-I438 HydrophobicContact CB-CG1 4.02Å; L436-I438 HydrophobicContact CD1-CD1 4.46Å
437	Q	98.7	Very high	97.7	Very high	149 Å²	149	40 Å²	40	70%	0.696	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.7	41.7	-167.7	-62.7	-70.4	-63.1	0	0	112.1	E433 D434	E433-Q437 WeakPolarHBondContact O-CA 3.33Å; E433-Q437 PolarHBondContact O-N 2.79Å; D434-Q437 PolarHBondContact O-NE2 2.97Å
438	I	98.5	Very high	97	Very high	4 Å²	4	39.1 Å²	39.1	2%	0.021	20%	0.195	C	C	.	.			trans	-134	127.4	179.5	-48	162	0	0	0	107.9	H350 F355 L358 E433 L436	H350-I438 HydrophobicContact CB-CD1 3.73Å; H350-I438 WeakPolarHBondContact ND1-CD1 3.41Å; F355-I438 HydrophobicContact CB-CD1 4.34Å; F355-I438 HydrophobicContact CB-CG2 4.29Å; F355-I438 HydrophobicContact CD2-CD1 4.42Å; L358-I438 HydrophobicContact CD1-CB 4.21Å; L358-I438 HydrophobicContact CD1-CD1 4.48Å; L358-I438 HydrophobicContact CD1-CG2 4.36Å; L358-I438 HydrophobicContact CD2-CD1 4.29Å; L358-I438 HydrophobicContact CD2-CG2 4.07Å; L358-I438 HydrophobicContact CG-CB 4.16Å; L358-I438 HydrophobicContact CG-CG2 3.75Å; E433-I438 PolarHBondContact O-N 3.46Å; L436-I438 VanDerWaalsContact C-N 3.34Å; L436-I438 HydrophobicContact CB-CB 4.41Å; L436-I438 HydrophobicContact CB-CD1 3.83Å; L436-I438 HydrophobicContact CB-CG1 4.02Å; L436-I438 HydrophobicContact CD1-CD1 4.46Å
439	P	98.7	Very high	96.3	Very high	52 Å²	52	43 Å²	43	34%	0.338	21%	0.209	S	C	.	.			trans	-70.9	142.9	-178.9	29.9	-35.4	0	0	0	111.6	A357 L358 E433 F456	A357-P439 CarbonylContact C-O 3.5Å; A357-P439 VanDerWaalsContact CA-O 3.23Å; A357-P439 WeakPolarHBondContact CA-O 3.4Å; A357-P439 HydrophobicContact CB-CG 4.3Å; A357-P439 WeakPolarHBondContact CB-O 3.28Å; L358-P439 PolarHBondContact N-O 2.87Å; E433-P439 WeakPolarHBondContact OE1-CA 3.31Å; P439-F456 HydrophobicContact CB-CE1 3.97Å; P439-F456 HydrophobicContact CB-CZ 3.89Å; P439-F456 HydrophobicContact CG-CZ 4.06Å
440	V	98.8	Very high	95.7	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	115.5	169.7	173.7	0	0	0	0	107.9	L358 L360 V429 E433 W442 I443 L455 F456	L358-V440 HydrophobicContact CB-CG2 4.16Å; L358-V440 HydrophobicContact CD1-CG2 4.48Å; L360-V440 HydrophobicContact CB-CG1 4.06Å; V429-V440 HydrophobicContact CG1-CB 3.97Å; V429-V440 HydrophobicContact CG1-CG1 4.13Å; V429-V440 HydrophobicContact CG1-CG2 4.06Å; E433-V440 HydrophobicContact CG-CB 4.08Å; E433-V440 HydrophobicContact CG-CG2 3.63Å; E433-V440 PolarHBondContact OE1-N 2.88Å; V440-W442 VanDerWaalsContact CG1-O 3.31Å; V440-W442 WeakPolarHBondContact CG1-O 3.43Å; V440-I443 HydrophobicContact CG1-CG1 3.84Å; V440-L455 WeakPolarHBondContact O-CD2 3.21Å; V440-F456 WeakPolarHBondContact O-CE1 3.43Å
441	K	98.8	Very high	95.4	Very high	23 Å²	23	44.9 Å²	44.9	10%	0.1	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	-32.8	177.6	-175.7	170.7	173.8	74.8	0	112.2	Y294 A357 L358 Q454 L455 F456	Y294-K441 HydrophobicContact CE1-CD 3.89Å; A357-K441 HydrophobicContact CB-CB 3.83Å; A357-K441 HydrophobicContact CB-CD 4.47Å; L358-K441 PolarHBondContact O-N 2.81Å; K441-Q454 WeakPolarHBondContact O-CA 3.46Å; K441-L455 PolarHBondContact O-N 3.11Å; K441-F456 HydrophobicContact CB-CE1 4.06Å; K441-F456 HydrophobicContact CB-CE2 4.15Å; K441-F456 HydrophobicContact CB-CZ 3.71Å; K441-F456 HydrophobicContact CD-CD2 4.45Å; K441-F456 HydrophobicContact CD-CE2 3.98Å; K441-F456 HydrophobicContact CD-CZ 4.39Å; K441-F456 HydrophobicContact CG-CD2 4.33Å; K441-F456 HydrophobicContact CG-CE1 4.43Å; K441-F456 HydrophobicContact CG-CE2 3.99Å; K441-F456 HydrophobicContact CG-CZ 4.04Å; K441-F456 PolarHBondContact NZ-O 3.09Å
442	W	98.8	Very high	95.3	Very high	5 Å²	5	44.6 Å²	44.6	2%	0.019	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	142.4	-178.8	-65.6	-76.7	0	0	0	113.2	V46 L49 L50 Y294 L358 A359 L360 V440 M452 I453	V46-W442 HydrophobicContact CG1-CE3 4.46Å; V46-W442 HydrophobicContact CG1-CZ3 4.44Å; L49-W442 HydrophobicContact CD2-CZ2 4.38Å; L49-W442 VanDerWaalsContact CD2-NE1 3.27Å; L50-W442 HydrophobicContact CD1-CH2 4.38Å; L50-W442 HydrophobicContact CD2-CH2 3.97Å; L50-W442 HydrophobicContact CD2-CZ2 4.05Å; Y294-W442 HydrophobicContact CD1-CH2 4.41Å; Y294-W442 AromaticContact CD1-CZ3 3.78Å; Y294-W442 HydrophobicContact CD1-CZ3 3.78Å; Y294-W442 AromaticContact CD2-CH2 3.89Å; Y294-W442 HydrophobicContact CD2-CH2 3.89Å; Y294-W442 AromaticContact CD2-CZ3 3.71Å; Y294-W442 HydrophobicContact CD2-CZ3 3.71Å; Y294-W442 HydrophobicContact CE1-CH2 4.09Å; Y294-W442 AromaticContact CE1-CZ3 3.85Å; Y294-W442 HydrophobicContact CE1-CZ3 3.85Å; Y294-W442 AromaticContact CE2-CH2 3.51Å; Y294-W442 HydrophobicContact CE2-CH2 3.51Å; Y294-W442 AromaticContact CE2-CZ3 3.77Å; Y294-W442 HydrophobicContact CE2-CZ3 3.77Å; Y294-W442 HydrophobicContact CG-CH2 4.32Å; Y294-W442 AromaticContact CG-CZ3 3.7Å; Y294-W442 HydrophobicContact CG-CZ3 3.7Å; Y294-W442 AromaticContact CZ-CH2 3.61Å; Y294-W442 AromaticContact CZ-CZ3 3.84Å; L358-W442 PolarHBondContact O-N 3.35Å; A359-W442 CarbonylContact C-O 3.59Å; A359-W442 WeakPolarHBondContact CA-O 3.31Å; A359-W442 HydrophobicContact CB-CB 4.06Å; A359-W442 HydrophobicContact CB-CE3 4.14Å; L360-W442 PolarHBondContact N-O 2.98Å; V440-W442 VanDerWaalsContact CG1-O 3.31Å; V440-W442 WeakPolarHBondContact CG1-O 3.43Å; W442-M452 HydrophobicContact CB-CG 4.14Å; W442-M452 HydrophobicContact CB-SD 3.77Å; W442-M452 HydrophobicContact CG-CG 4.27Å; W442-M452 HydrophobicContact CG-SD 4.48Å; W442-I453 CarbonylContact C-O 3.36Å; W442-I453 VanDerWaalsContact CA-O 3.24Å; W442-I453 WeakPolarHBondContact CA-O 3.25Å
443	I	98.8	Very high	95.2	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	117	172.7	-55.4	169.5	0	0	0	109.5	L360 L363 F418 L421 V429 V440 V445 M452 I453 L455	L360-I443 CarbonylContact O-C 3.53Å; L360-I443 VanDerWaalsContact O-CA 3.28Å; L360-I443 WeakPolarHBondContact O-CA 3.18Å; L363-I443 HydrophobicContact CB-CG2 4.07Å; L363-I443 HydrophobicContact CD2-CG2 3.56Å; L363-I443 HydrophobicContact CG-CG2 4.47Å; F418-I443 HydrophobicContact CD2-CD1 3.71Å; F418-I443 HydrophobicContact CE2-CD1 3.97Å; L421-I443 HydrophobicContact CD1-CD1 3.74Å; V429-I443 HydrophobicContact CG1-CD1 4.13Å; V429-I443 HydrophobicContact CG2-CD1 3.67Å; V429-I443 HydrophobicContact CG2-CG1 4.35Å; V440-I443 HydrophobicContact CG1-CG1 3.84Å; I443-V445 HydrophobicContact CG2-CG1 4.08Å; I443-M452 WeakPolarHBondContact O-CA 3.42Å; I443-M452 VanDerWaalsContact O-SD 3.37Å; I443-I453 HydrophobicContact CB-CB 4.28Å; I443-I453 PolarHBondContact N-O 3.16Å; I443-I453 PolarHBondContact O-N 2.97Å; I443-L455 HydrophobicContact CD1-CD1 3.71Å; I443-L455 HydrophobicContact CD1-CD2 4.45Å; I443-L455 HydrophobicContact CG1-CD1 3.87Å
444	G	98.1	Very high	95.2	Very high	2 Å²	2	47.7 Å²	47.7	2%	0.021	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	119.7	174.7	0	0	0	0	0	111	L360 K362 L363 M452	L360-G444 PolarHBondContact O-N 2.81Å; K362-G444 PolarHBondContact N-O 3.28Å; L363-G444 PolarHBondContact N-O 2.96Å; G444-M452 VanDerWaalsContact CA-SD 3.54Å; G444-M452 PolarHBondContact N-SD 3.41Å; G444-M452 VanDerWaalsContact N-SD 3.39Å
445	V	97.9	Very high	95.1	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	22%	0.224	C	C	.	.			trans	-115.4	17.6	179.2	-62.3	0	0	0	0	112.2	D364 I412 S413 L421 I443 S451 I453	D364-V445 VanDerWaalsContact CG-C 3.48Å; D364-V445 VanDerWaalsContact OD1-C 3.25Å; I412-V445 HydrophobicContact CD1-CG1 3.83Å; I412-V445 HydrophobicContact CG1-CB 4.15Å; I412-V445 HydrophobicContact CG1-CG1 3.92Å; S413-V445 VanDerWaalsContact CA-O 3.22Å; S413-V445 WeakPolarHBondContact CA-O 3.31Å; L421-V445 HydrophobicContact CD2-CG1 4.3Å; I443-V445 HydrophobicContact CG2-CG1 4.08Å; V445-S451 PolarHBondContact N-O 2.98Å; V445-I453 HydrophobicContact CG1-CD1 4.09Å
446	G	92.9	Very high	95	Very high	17 Å²	17	47.5 Å²	47.5	18%	0.175	23%	0.232	C	C	.	.	S	Bend	trans	165.2	-175.1	179.5	0	0	0	0	0	112.8	K45 D364	K45-G446 WeakPolarHBondContact CE-O 3.48Å; D364-G446 PolarHBondContact OD1-N 3.2Å
447	K	85.2	Confident	94.8	Very high	153 Å²	153	49.7 Å²	49.7	67%	0.665	24%	0.243	S	C	*	.	S	Bend	trans	-81.1	-48.9	-174.2	-61.2	-170.8	179.5	-168.7	0	113.4	K45 R326	K45-K447 PolarHBondContact NZ-O 2.98Å; R326-K447 VanDerWaalsContact NH1-NZ 3.15Å
448	S	84.2	Confident	94.6	Very high	54 Å²	54	44.5 Å²	44.5	38%	0.378	22%	0.219	S	C	.	.	S	Bend	trans	-54.3	145	-175	76.7	0	0	0	0	111.1	K45 E450 S451	K45-S448 VanDerWaalsContact NZ-C 3.29Å; K45-S448 PolarHBondContact NZ-O 3.29Å; S448-E450 WeakPolarHBondContact CB-OE2 3.47Å; S448-E450 PolarHBondContact O-N 3.23Å; S448-E450 VanDerWaalsContact O-N 3.1Å; S448-E450 PolarHBondContact OG-OE2 3.08Å; S448-S451 WeakPolarHBondContact O-CA 3.35Å; S448-S451 VanDerWaalsContact O-CB 3.29Å; S448-S451 WeakPolarHBondContact O-CB 3.44Å; S448-S451 PolarHBondContact O-N 3.12Å; S448-S451 PolarHBondContact OG-N 3.1Å; S448-S451 PolarHBondContact OG-OG 3Å
449	R	82.9	Confident	94.4	Very high	83 Å²	83	46.7 Å²	46.7	31%	0.313	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.5	-41.8	-178.9	-179.3	-176.6	-77.8	173.8	1.9	111.5	K45 D48 S451	K45-R449 PolarHBondContact NZ-O 2.86Å; D48-R449 VanDerWaalsContact CG-NH2 3.29Å; D48-R449 IonicContact OD1-CZ 3.41Å; D48-R449 IonicContact OD1-NE 3.63Å; D48-R449 IonicContact OD1-NH2 2.66Å; D48-R449 PolarHBondContact OD1-NH2 3.45Å; D48-R449 IonicContact OD2-CZ 2.74Å; D48-R449 IonicContact OD2-NE 3.34Å; D48-R449 PolarHBondContact OD2-NE 3.49Å; D48-R449 IonicContact OD2-NH2 3.13Å; D48-R449 PolarHBondContact OD2-NH2 3.32Å; D48-R449 VanDerWaalsContact OD2-NH2 3.14Å; R449-S451 VanDerWaalsContact C-N 3.28Å; R449-S451 PolarHBondContact O-N 3.46Å
450	E	86.8	Confident	94.1	Very high	121 Å²	121	46.4 Å²	46.4	57%	0.565	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-23.5	-179.7	-57.3	69.7	-149.3	0	0	113.3	R416 S448 M452	R416-E450 WeakPolarHBondContact CD-O 3.5Å; R416-E450 PolarHBondContact NE-O 3.16Å; S448-E450 WeakPolarHBondContact CB-OE2 3.47Å; S448-E450 PolarHBondContact O-N 3.23Å; S448-E450 VanDerWaalsContact O-N 3.1Å; S448-E450 PolarHBondContact OG-OE2 3.08Å; E450-M452 PolarHBondContact O-N 2.96Å
451	S	93.2	Very high	93.9	Very high	9 Å²	9	49.3 Å²	49.3	6%	0.063	24%	0.238	C	C	.	.	S	Bend	trans	-75.5	48	172.1	-56	0	0	0	0	111.9	K45 V445 S448 R449	K45-S451 VanDerWaalsContact CE-O 3.3Å; K45-S451 WeakPolarHBondContact CE-O 3.25Å; V445-S451 PolarHBondContact N-O 2.98Å; S448-S451 WeakPolarHBondContact O-CA 3.35Å; S448-S451 VanDerWaalsContact O-CB 3.29Å; S448-S451 WeakPolarHBondContact O-CB 3.44Å; S448-S451 PolarHBondContact O-N 3.12Å; S448-S451 PolarHBondContact OG-N 3.1Å; S448-S451 PolarHBondContact OG-OG 3Å; R449-S451 VanDerWaalsContact C-N 3.28Å; R449-S451 PolarHBondContact O-N 3.46Å
452	M	95.3	Very high	93.5	Very high	24 Å²	24	51.1 Å²	51.1	12%	0.118	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	117.9	173.9	-168.1	63.3	84.9	0	0	109.1	K45 V46 L49 W442 I443 G444 E450	K45-M452 HydrophobicContact CB-CE 4.41Å; K45-M452 HydrophobicContact CD-CE 3.5Å; K45-M452 VanDerWaalsContact CD-CE 3.5Å; K45-M452 VanDerWaalsContact CE-CE 3.44Å; K45-M452 HydrophobicContact CG-CE 3.7Å; V46-M452 HydrophobicContact CG2-CE 4.32Å; L49-M452 HydrophobicContact CD2-CG 4.45Å; W442-M452 HydrophobicContact CB-CG 4.14Å; W442-M452 HydrophobicContact CB-SD 3.77Å; W442-M452 HydrophobicContact CG-CG 4.27Å; W442-M452 HydrophobicContact CG-SD 4.48Å; I443-M452 WeakPolarHBondContact O-CA 3.42Å; I443-M452 VanDerWaalsContact O-SD 3.37Å; G444-M452 VanDerWaalsContact CA-SD 3.54Å; G444-M452 PolarHBondContact N-SD 3.41Å; G444-M452 VanDerWaalsContact N-SD 3.39Å; E450-M452 PolarHBondContact O-N 2.96Å
453	I	97.8	Very high	93.2	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	123.7	175.8	-55.9	173.6	0	0	0	107.6	A415 L421 W442 I443 V445 L455	A415-I453 HydrophobicContact CB-CD1 3.88Å; L421-I453 HydrophobicContact CD1-CD1 4.19Å; L421-I453 HydrophobicContact CD2-CD1 3.93Å; L421-I453 HydrophobicContact CG-CD1 4.03Å; W442-I453 CarbonylContact C-O 3.36Å; W442-I453 VanDerWaalsContact CA-O 3.24Å; W442-I453 WeakPolarHBondContact CA-O 3.25Å; I443-I453 HydrophobicContact CB-CB 4.28Å; I443-I453 PolarHBondContact N-O 3.16Å; I443-I453 PolarHBondContact O-N 2.97Å; V445-I453 HydrophobicContact CG1-CD1 4.09Å; I453-L455 HydrophobicContact CG2-CD1 4.1Å
454	Q	97.8	Very high	92.7	Very high	108 Å²	108	58.5 Å²	58.5	51%	0.505	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	129.1	171.4	-177.1	176.4	-12.4	0	0	109.9	K441 F456	K441-Q454 WeakPolarHBondContact O-CA 3.46Å; Q454-F456 VanDerWaalsContact CG-O 3.24Å; Q454-F456 WeakPolarHBondContact CG-O 3.44Å; Q454-F456 PolarHBondContact NE2-O 3.17Å
455	L	97.3	Very high	92.3	Very high	53 Å²	53	63.3 Å²	63.3	28%	0.277	31%	0.305	S	S	.	.			trans	-89.3	-33.6	-175.3	-84.2	69.6	0	0	0	112.8	F418 V440 K441 I443 I453	F418-L455 HydrophobicContact CB-CG 4.26Å; F418-L455 HydrophobicContact CD2-CD1 4.37Å; F418-L455 HydrophobicContact CD2-CD2 3.9Å; F418-L455 HydrophobicContact CD2-CG 4.25Å; F418-L455 HydrophobicContact CE2-CD2 4.2Å; F418-L455 HydrophobicContact CG-CD2 4.26Å; F418-L455 HydrophobicContact CG-CG 4.37Å; V440-L455 WeakPolarHBondContact O-CD2 3.21Å; K441-L455 PolarHBondContact O-N 3.11Å; I443-L455 HydrophobicContact CD1-CD1 3.71Å; I443-L455 HydrophobicContact CD1-CD2 4.45Å; I443-L455 HydrophobicContact CG1-CD1 3.87Å; I453-L455 HydrophobicContact CG2-CD1 4.1Å
456	F	96.1	Very high	91.8	Very high	137 Å²	137	69 Å²	69	60%	0.601	33%	0.333	S	S	*	.			trans	-157.2	0	178.8	57.7	-90.8	0	0	0	111.5	A357 P439 V440 K441 Q454	A357-F456 HydrophobicContact CB-CZ 4.3Å; P439-F456 HydrophobicContact CB-CE1 3.97Å; P439-F456 HydrophobicContact CB-CZ 3.89Å; P439-F456 HydrophobicContact CG-CZ 4.06Å; V440-F456 WeakPolarHBondContact O-CE1 3.43Å; K441-F456 HydrophobicContact CB-CE1 4.06Å; K441-F456 HydrophobicContact CB-CE2 4.15Å; K441-F456 HydrophobicContact CB-CZ 3.71Å; K441-F456 HydrophobicContact CD-CD2 4.45Å; K441-F456 HydrophobicContact CD-CE2 3.98Å; K441-F456 HydrophobicContact CD-CZ 4.39Å; K441-F456 HydrophobicContact CG-CD2 4.33Å; K441-F456 HydrophobicContact CG-CE1 4.43Å; K441-F456 HydrophobicContact CG-CE2 3.99Å; K441-F456 HydrophobicContact CG-CZ 4.04Å; K441-F456 PolarHBondContact NZ-O 3.09Å; Q454-F456 VanDerWaalsContact CG-O 3.24Å; Q454-F456 WeakPolarHBondContact CG-O 3.44Å; Q454-F456 PolarHBondContact NE2-O 3.17Å

Retrieved 456 of 456 residues in 218.6 ms (Link to these results)

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