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Succinyl-CoA:3-ketoacid-coenzyme A transferase

Key enzyme for ketone body catabolism. Transfers the CoA moiety from succinate to acetoacetate. Formation of the enzyme-CoA intermediate proceeds via an unstable anhydride species formed between the carboxylate groups of the enzyme and substrate.

AlphaFold DB , UniProt , Accession A0A077Z712, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 502 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	41.2	Very low	36.4	Very low	237 Å²	237	150.4 Å²	150.4	100%	1.167	81%	0.812	S	S	*	*				0	105.9	0	-75.8	174.1	-175.5	0	0	107.5	V3	M1-V3 PolarHBondContact O-N 2.81Å
2	C	36	Very low	37	Very low	133 Å²	133	154.3 Å²	154.3	90%	0.899	82%	0.821	S	S	*	*			trans	-73.6	113.7	174.3	-92.8	0	0	0	0	108.5
3	V	36.4	Very low	37.6	Very low	108 Å²	108	151.6 Å²	151.6	66%	0.655	82%	0.815	S	S	*	*			trans	-92.9	98	171.4	-178.9	0	0	0	0	106.7	M1 F5	M1-V3 PolarHBondContact O-N 2.81Å; V3-F5 HydrophobicContact CB-CE2 4.44Å; V3-F5 HydrophobicContact CG1-CD2 4.12Å; V3-F5 HydrophobicContact CG1-CE2 3.81Å; V3-F5 HydrophobicContact CG1-CZ 4.27Å; V3-F5 PolarHBondContact O-N 3.49Å; V3-F5 VanDerWaalsContact O-N 3.15Å
4	C	35.7	Very low	38.1	Very low	112 Å²	112	147.8 Å²	147.8	76%	0.757	81%	0.814	S	S	*	*			trans	-64	107.2	167.5	-78.4	0	0	0	0	108.5	T6	C4-T6 PolarHBondContact O-N 3.39Å; C4-T6 VanDerWaalsContact O-N 3.15Å
5	F	35.6	Very low	38.7	Very low	173 Å²	173	147.8 Å²	147.8	76%	0.759	81%	0.812	S	S	*	*			trans	-77.9	94.2	163.5	-81.4	-85.6	0	0	0	107.9	V3 F7	V3-F5 HydrophobicContact CB-CE2 4.44Å; V3-F5 HydrophobicContact CG1-CD2 4.12Å; V3-F5 HydrophobicContact CG1-CE2 3.81Å; V3-F5 HydrophobicContact CG1-CZ 4.27Å; V3-F5 PolarHBondContact O-N 3.49Å; V3-F5 VanDerWaalsContact O-N 3.15Å; F5-F7 PolarHBondContact O-N 3.29Å; F5-F7 VanDerWaalsContact O-N 3.11Å
6	T	33.7	Very low	39.3	Very low	122 Å²	122	149.8 Å²	149.8	75%	0.748	81%	0.814	S	S	*	*			trans	-62.4	108.9	166.7	-41.6	0	0	0	0	107.1	C4 T8	C4-T6 PolarHBondContact O-N 3.39Å; C4-T6 VanDerWaalsContact O-N 3.15Å; T6-T8 VanDerWaalsContact C-N 3.31Å; T6-T8 PolarHBondContact O-N 3.4Å
7	F	34.5	Very low	39.9	Very low	189 Å²	189	147.8 Å²	147.8	83%	0.829	80%	0.801	S	S	*	*			trans	-65	95.8	169	-82.4	-94.2	0	0	0	107.7	F5 F9	F5-F7 PolarHBondContact O-N 3.29Å; F5-F7 VanDerWaalsContact O-N 3.11Å; F7-F9 PolarHBondContact O-N 3.25Å; F7-F9 VanDerWaalsContact O-N 3.13Å
8	T	34.5	Very low	40.4	Very low	123 Å²	123	151.9 Å²	151.9	76%	0.755	80%	0.803	S	S	*	*			trans	-62.6	114.7	172	-35.8	0	0	0	0	107.2	T6 L10	T6-T8 VanDerWaalsContact C-N 3.31Å; T6-T8 PolarHBondContact O-N 3.4Å; T8-L10 PolarHBondContact O-N 3.08Å
9	F	36.5	Very low	40.7	Very low	202 Å²	202	154.6 Å²	154.6	89%	0.886	80%	0.801	S	S	*	*			trans	-49.1	100.4	169.7	-80.9	-102.9	0	0	0	108.9	F7 S11	F7-F9 PolarHBondContact O-N 3.25Å; F7-F9 VanDerWaalsContact O-N 3.13Å; F9-S11 PolarHBondContact O-N 3.29Å
10	L	37.4	Very low	41.5	Very low	173 Å²	173	155.3 Å²	155.3	91%	0.906	80%	0.798	S	S	*	*			trans	-65.8	109.4	164.5	-86.9	160.3	0	0	0	105.9	T8	T8-L10 PolarHBondContact O-N 3.08Å
11	S	39.4	Very low	42	Very low	82 Å²	82	153.1 Å²	153.1	57%	0.573	79%	0.792	S	S	*	*			trans	-51.4	152.3	-178.8	59.2	0	0	0	0	111.7	F9 T13	F9-S11 PolarHBondContact O-N 3.29Å; S11-T13 PolarHBondContact O-N 3.05Å; S11-T13 PolarHBondContact O-OG1 2.95Å
12	E	43.2	Very low	42.5	Very low	197 Å²	197	148.1 Å²	148.1	92%	0.921	78%	0.775	S	S	*	*	S	Bend	trans	-55.8	22.5	-174.2	-63.9	171.4	135.4	0	0	116.9	A14	E12-A14 PolarHBondContact O-N 3.34Å
13	T	44.3	Very low	43	Very low	120 Å²	120	146.8 Å²	146.8	74%	0.736	77%	0.767	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.4	4.5	-175.1	48.6	0	0	0	0	114.7	S11	S11-T13 PolarHBondContact O-N 3.05Å; S11-T13 PolarHBondContact O-OG1 2.95Å
14	A	45.2	Very low	43.8	Very low	98 Å²	98	152.2 Å²	152.2	81%	0.81	78%	0.776	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.8	-4.7	-178.9	0	0	0	0	0	115.6	E12 Q16	E12-A14 PolarHBondContact O-N 3.34Å; A14-Q16 VanDerWaalsContact C-N 3.33Å; A14-Q16 PolarHBondContact O-N 3.44Å
15	L	46.9	Very low	44.8	Very low	148 Å²	148	154.5 Å²	154.5	78%	0.775	78%	0.78	S	S	*	*			trans	-99.2	60.4	169.6	-81.6	157.5	0	0	0	109.6	L17	L15-L17 PolarHBondContact O-N 3.43Å
16	Q	48.5	Very low	46	Very low	180 Å²	180	152.2 Å²	152.2	84%	0.841	78%	0.775	S	S	*	*			trans	-62.1	79	144	-83	-170	-7.3	0	0	106.5	A14 R18	A14-Q16 VanDerWaalsContact C-N 3.33Å; A14-Q16 PolarHBondContact O-N 3.44Å; Q16-R18 VanDerWaalsContact C-N 3.34Å; Q16-R18 PolarHBondContact O-N 2.93Å
17	L	49.9	Very low	47.7	Very low	116 Å²	116	152.4 Å²	152.4	61%	0.607	76%	0.763	S	S	*	*			trans	-44.6	109.2	159	-86.3	151.2	0	0	0	104.6	L15 R19	L15-L17 PolarHBondContact O-N 3.43Å; L17-R19 HydrophobicContact CB-CG 4.16Å; L17-R19 PolarHBondContact O-N 3.12Å
18	R	48.8	Very low	50	Low	222 Å²	222	152.5 Å²	152.5	84%	0.838	76%	0.763	S	S	*	*			trans	-61.4	78.5	168	-69.3	-176.2	176.6	-159.6	-0.2	106.2	Q16 F20	Q16-R18 VanDerWaalsContact C-N 3.34Å; Q16-R18 PolarHBondContact O-N 2.93Å; R18-F20 HydrophobicContact CB-CE2 4.34Å; R18-F20 PolarHBondContact O-N 3.24Å
19	R	45.3	Very low	52.8	Low	202 Å²	202	149.6 Å²	149.6	76%	0.762	75%	0.747	S	S	*	*			trans	-72.3	83.3	170.3	-71	-171.9	178.9	-171	0.1	104.3	L17 T21	L17-R19 HydrophobicContact CB-CG 4.16Å; L17-R19 PolarHBondContact O-N 3.12Å; R19-T21 PolarHBondContact O-N 3.31Å
20	F	56.5	Low	55.7	Low	168 Å²	168	142.3 Å²	142.3	74%	0.737	72%	0.715	S	S	*	*			trans	-46.3	126.3	151.5	-70.7	-83.8	0	0	0	105.6	R18 T22	R18-F20 HydrophobicContact CB-CE2 4.34Å; R18-F20 PolarHBondContact O-N 3.24Å; F20-T22 WeakPolarHBondContact O-CG2 3.16Å; F20-T22 PolarHBondContact O-N 3.18Å
21	T	52.9	Low	58.5	Low	110 Å²	110	138 Å²	138	68%	0.675	69%	0.69	S	S	*	*			trans	-55.7	111.8	-163.7	69.2	0	0	0	0	109.9	R19	R19-T21 PolarHBondContact O-N 3.31Å
22	T	50.7	Low	61.3	Low	132 Å²	132	136.6 Å²	136.6	81%	0.81	67%	0.674	S	S	*	*			trans	-103.2	3.8	179.3	52	0	0	0	0	113.6	F20	F20-T22 WeakPolarHBondContact O-CG2 3.16Å; F20-T22 PolarHBondContact O-N 3.18Å
23	S	46.7	Very low	63.8	Low	105 Å²	105	130.7 Å²	130.7	73%	0.734	67%	0.666	S	S	*	*	S	Bend	trans	-110.5	4.5	-153.8	64.4	0	0	0	0	118.6
24	R	53.4	Low	66.3	Low	223 Å²	223	127.5 Å²	127.5	84%	0.842	65%	0.649	S	S	*	*	S	Bend	trans	-145.3	139.2	167.4	-71.3	-171.2	176	-177.6	-2.4	109.2	L26	R24-L26 PolarHBondContact O-N 2.76Å
25	L	56.4	Low	68.8	Low	159 Å²	159	123.5 Å²	123.5	83%	0.832	62%	0.615	S	S	*	*			trans	-30.8	104.4	170.4	-70.6	159.6	0	0	0	108.9	Y27	L25-Y27 PolarHBondContact O-N 3.32Å
26	L	60.8	Low	71.3	Confident	125 Å²	125	119.5 Å²	119.5	65%	0.654	60%	0.599	S	S	*	*	S	Bend	trans	-61.8	-10.8	-173.5	-82.5	162.9	0	0	0	111.9	R24	R24-L26 PolarHBondContact O-N 2.76Å
27	Y	69.5	Low	73.6	Confident	126 Å²	126	114.6 Å²	114.6	49%	0.494	58%	0.576	S	S	.	*	S	Bend	trans	-127.8	125.4	-172.8	-57.4	-78.1	0	0	0	110.7	L25 A207 V240	L25-Y27 PolarHBondContact O-N 3.32Å; Y27-A207 HydrophobicContact CD1-CB 3.88Å; Y27-A207 HydrophobicContact CD2-CB 4.02Å; Y27-A207 HydrophobicContact CG-CB 3.57Å; Y27-V240 HydrophobicContact CD2-CG1 4.08Å
28	K	82.8	Confident	75.9	Confident	192 Å²	192	109.1 Å²	109.1	84%	0.835	55%	0.547	S	S	*	.			trans	-65.6	129.5	159.7	-178.5	-177.9	177.8	-176	0	107.4	K30	K28-K30 PolarHBondContact O-N 3.37Å
29	S	92.9	Very high	78.3	Confident	61 Å²	61	98.5 Å²	98.5	43%	0.427	51%	0.508	S	S	.	.			trans	-55.9	133.6	175.7	-176.6	0	0	0	0	110.4	E31 K206	S29-E31 WeakPolarHBondContact OG-CB 3.49Å; S29-E31 PolarHBondContact OG-N 2.68Å; S29-K206 CarbonylContact C-O 3.59Å; S29-K206 WeakPolarHBondContact CA-O 3.38Å
30	K	97.4	Very high	80.8	Confident	49 Å²	49	95.4 Å²	95.4	21%	0.213	50%	0.5	C	S	.	.			trans	-101.7	4.7	173.7	-59.7	-176.8	-177.5	164.5	0	112.1	K28 F32 K206 A207 G252 V255 R257 V258	K28-K30 PolarHBondContact O-N 3.37Å; K30-F32 WeakPolarHBondContact O-CD2 3.45Å; K30-K206 PolarHBondContact N-O 3.39Å; K30-A207 WeakPolarHBondContact CD-O 3.41Å; K30-A207 VanDerWaalsContact CE-O 3.29Å; K30-A207 WeakPolarHBondContact CE-O 3.24Å; K30-A207 PolarHBondContact NZ-O 2.67Å; K30-G252 PolarHBondContact NZ-O 3.17Å; K30-V255 WeakPolarHBondContact CD-O 3.29Å; K30-V255 VanDerWaalsContact CE-O 3.28Å; K30-V255 WeakPolarHBondContact CE-O 3.21Å; K30-V255 PolarHBondContact NZ-O 3.09Å; K30-R257 CarbonylContact O-C 3.57Å; K30-R257 WeakPolarHBondContact O-CA 3.32Å; K30-V258 HydrophobicContact CB-CG2 4.27Å; K30-V258 PolarHBondContact O-N 3.16Å
31	E	97.7	Very high	82.8	Confident	82 Å²	82	91.1 Å²	91.1	38%	0.383	48%	0.484	S	S	.	.	B	Isolated β-bridge	trans	-64	136	176	178.3	178.4	-162	0	0	111.3	S29 K206 L237 V258	S29-E31 WeakPolarHBondContact OG-CB 3.49Å; S29-E31 PolarHBondContact OG-N 2.68Å; E31-K206 HydrophobicContact CB-CG 4.28Å; E31-K206 WeakPolarHBondContact OE2-CD 3.38Å; E31-K206 WeakPolarHBondContact OE2-CE 3.25Å; E31-K206 IonicContact OE2-NZ 2.97Å; E31-K206 PolarHBondContact OE2-NZ 3.05Å; E31-L237 HydrophobicContact CG-CD2 3.83Å; E31-L237 VanDerWaalsContact OE1-CD2 3.27Å; E31-L237 WeakPolarHBondContact OE1-CD2 3.45Å; E31-V258 CarbonylContact C-O 3.54Å; E31-V258 WeakPolarHBondContact CA-O 3.23Å
32	F	98.1	Very high	84.9	Confident	54 Å²	54	86.1 Å²	86.1	24%	0.237	45%	0.454	C	S	.	.			trans	-116.5	147.3	170.1	-83.6	-112.4	0	0	0	109.4	K30 S34 E37 A38 R257 V258 V259	K30-F32 WeakPolarHBondContact O-CD2 3.45Å; F32-S34 VanDerWaalsContact C-N 3.32Å; F32-S34 PolarHBondContact O-N 3.42Å; F32-E37 HydrophobicContact CD1-CG 4.08Å; F32-A38 HydrophobicContact CB-CB 4.08Å; F32-A38 HydrophobicContact CD1-CB 4.21Å; F32-A38 HydrophobicContact CG-CB 4.22Å; F32-R257 HydrophobicContact CD2-CB 3.73Å; F32-R257 HydrophobicContact CD2-CG 3.94Å; F32-R257 HydrophobicContact CE2-CB 3.77Å; F32-R257 HydrophobicContact CE2-CG 3.44Å; F32-R257 VanDerWaalsContact CE2-CG 3.44Å; F32-R257 HydrophobicContact CG-CB 4.5Å; F32-R257 HydrophobicContact CZ-CG 3.86Å; F32-V258 PolarHBondContact N-O 3Å; F32-V259 HydrophobicContact CB-CG1 3.65Å
33	G	94.8	Very high	87.2	Confident	72 Å²	72	83.3 Å²	83.3	74%	0.742	44%	0.438	S	S	*	.	S	Bend	trans	-72.9	-22.6	-172.1	0	0	0	0	0	114.3	E37	G33-E37 PolarHBondContact N-OE2 3.17Å
34	S	97.7	Very high	89.7	Confident	54 Å²	54	81.5 Å²	81.5	38%	0.378	43%	0.425	S	S	.	.			trans	-157.4	158.8	177.4	65.4	0	0	0	0	112.3	F32 S36 E37 A38	F32-S34 VanDerWaalsContact C-N 3.32Å; F32-S34 PolarHBondContact O-N 3.42Å; S34-S36 VanDerWaalsContact C-N 3.29Å; S34-S36 PolarHBondContact O-N 3.03Å; S34-E37 PolarHBondContact O-N 3Å; S34-E37 WeakPolarHBondContact OG-CB 3.38Å; S34-E37 PolarHBondContact OG-N 2.75Å; S34-E37 VanDerWaalsContact OG-N 3.14Å; S34-A38 PolarHBondContact O-N 3.03Å
35	S	98	Very high	91.8	Very high	13 Å²	13	73 Å²	73	9%	0.091	41%	0.407	C	S	.	.	H	α-helix	trans	-58.7	-39	172.6	-60.6	0	0	0	0	112.4	A38 V39 S65	S35-A38 PolarHBondContact O-N 3.01Å; S35-V39 WeakPolarHBondContact O-CG1 3.43Å; S35-V39 WeakPolarHBondContact O-CG2 3.17Å; S35-V39 PolarHBondContact O-N 2.99Å; S35-V39 VanDerWaalsContact O-N 3.09Å; S35-S65 WeakPolarHBondContact CB-OG 2.8Å
36	S	98.2	Very high	93.9	Very high	64 Å²	64	65.6 Å²	65.6	45%	0.448	37%	0.368	S	S	.	.	H	α-helix	trans	-60.5	-45.9	175.1	-176.3	0	0	0	0	112.1	S34 A38 V39 K40 S65	S34-S36 VanDerWaalsContact C-N 3.29Å; S34-S36 PolarHBondContact O-N 3.03Å; S36-A38 VanDerWaalsContact C-N 3.3Å; S36-A38 PolarHBondContact O-N 2.98Å; S36-V39 PolarHBondContact O-N 3.37Å; S36-K40 PolarHBondContact O-N 3.13Å; S36-S65 PolarHBondContact N-OG 2.87Å
37	E	98.1	Very high	95.7	Very high	78 Å²	78	64 Å²	64	36%	0.364	35%	0.353	S	S	.	.	H	α-helix	trans	-63.8	-38.8	176.3	-170	-172.9	-173.8	0	0	111.9	F32 G33 S34 V39 K40	F32-E37 HydrophobicContact CD1-CG 4.08Å; G33-E37 PolarHBondContact N-OE2 3.17Å; S34-E37 PolarHBondContact O-N 3Å; S34-E37 WeakPolarHBondContact OG-CB 3.38Å; S34-E37 PolarHBondContact OG-N 2.75Å; S34-E37 VanDerWaalsContact OG-N 3.14Å; E37-V39 VanDerWaalsContact C-N 3.33Å; E37-V39 PolarHBondContact O-N 2.69Å; E37-K40 HydrophobicContact CG-CD 4.28Å; E37-K40 WeakPolarHBondContact O-CD 3.32Å; E37-K40 VanDerWaalsContact O-CG 3.29Å; E37-K40 WeakPolarHBondContact O-CG 3.49Å; E37-K40 IonicContact OE1-NZ 2.86Å
38	A	98.4	Very high	97.1	Very high	0 Å²	0	58 Å²	58	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-68.5	-29.2	-178	0	0	0	0	0	113	F32 S34 S35 S36 L62 I231 R257 V259	F32-A38 HydrophobicContact CB-CB 4.08Å; F32-A38 HydrophobicContact CD1-CB 4.21Å; F32-A38 HydrophobicContact CG-CB 4.22Å; S34-A38 PolarHBondContact O-N 3.03Å; S35-A38 PolarHBondContact O-N 3.01Å; S36-A38 VanDerWaalsContact C-N 3.3Å; S36-A38 PolarHBondContact O-N 2.98Å; A38-L62 HydrophobicContact CB-CD2 4.38Å; A38-I231 HydrophobicContact CB-CD1 4.49Å; A38-I231 HydrophobicContact CB-CG2 3.92Å; A38-I231 WeakPolarHBondContact O-CD1 3.38Å; A38-R257 PolarHBondContact O-NH1 3.1Å; A38-V259 HydrophobicContact CB-CG1 3.54Å
39	V	98.6	Very high	97.8	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-102	-3.8	-177.3	-54.2	0	0	0	0	114.5	S35 S36 E37 D41 V42 L62 L66 T69 F198 I231	S35-V39 WeakPolarHBondContact O-CG1 3.43Å; S35-V39 WeakPolarHBondContact O-CG2 3.17Å; S35-V39 PolarHBondContact O-N 2.99Å; S35-V39 VanDerWaalsContact O-N 3.09Å; S36-V39 PolarHBondContact O-N 3.37Å; E37-V39 VanDerWaalsContact C-N 3.33Å; E37-V39 PolarHBondContact O-N 2.69Å; V39-D41 PolarHBondContact O-N 3.3Å; V39-V42 HydrophobicContact CB-CG2 4.34Å; V39-V42 WeakPolarHBondContact O-CB 3.38Å; V39-V42 VanDerWaalsContact O-CG2 3.32Å; V39-V42 WeakPolarHBondContact O-CG2 3.32Å; V39-V42 PolarHBondContact O-N 3.41Å; V39-V42 VanDerWaalsContact O-N 3.08Å; V39-L62 HydrophobicContact CG1-CB 4.45Å; V39-L62 HydrophobicContact CG1-CD2 3.77Å; V39-L66 HydrophobicContact CB-CD1 4.31Å; V39-L66 HydrophobicContact CG2-CB 4.4Å; V39-T69 HydrophobicContact CG2-CG2 4.34Å; V39-F198 HydrophobicContact CB-CZ 4.07Å; V39-F198 HydrophobicContact CG1-CE1 3.92Å; V39-F198 HydrophobicContact CG1-CE2 3.98Å; V39-F198 HydrophobicContact CG1-CZ 3.39Å; V39-I231 HydrophobicContact CG1-CD1 4.33Å
40	K	97.6	Very high	98.1	Very high	137 Å²	137	46 Å²	46	60%	0.596	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-25.1	-169.9	73.2	-170.2	173.3	-169.5	0	115.8	S36 E37	S36-K40 PolarHBondContact O-N 3.13Å; E37-K40 HydrophobicContact CG-CD 4.28Å; E37-K40 WeakPolarHBondContact O-CD 3.32Å; E37-K40 VanDerWaalsContact O-CG 3.29Å; E37-K40 WeakPolarHBondContact O-CG 3.49Å; E37-K40 IonicContact OE1-NZ 2.86Å
41	D	97.8	Very high	98.1	Very high	78 Å²	78	43.6 Å²	43.6	42%	0.417	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.4	9	-176.5	71	-31.5	0	0	0	113.1	V39 P43 R257	V39-D41 PolarHBondContact O-N 3.3Å; D41-P43 WeakPolarHBondContact O-CD 3.25Å; D41-R257 IonicContact OD1-CZ 2.62Å; D41-R257 IonicContact OD1-NH1 3.25Å; D41-R257 PolarHBondContact OD1-NH1 2.97Å; D41-R257 IonicContact OD1-NH2 3.34Å; D41-R257 PolarHBondContact OD1-NH2 3.33Å; D41-R257 IonicContact OD2-CZ 3.55Å; D41-R257 IonicContact OD2-NH1 2.8Å; D41-R257 IonicContact OD2-NH2 2.69Å; D41-R257 PolarHBondContact OD2-NH2 3.01Å
42	V	98.7	Very high	98.1	Very high	5 Å²	5	39.7 Å²	39.7	3%	0.03	24%	0.241	C	C	.	.			trans	-68.8	114.2	170.4	177.8	0	0	0	0	108.1	V39 L66 V71 F196 F198	V39-V42 HydrophobicContact CB-CG2 4.34Å; V39-V42 WeakPolarHBondContact O-CB 3.38Å; V39-V42 VanDerWaalsContact O-CG2 3.32Å; V39-V42 WeakPolarHBondContact O-CG2 3.32Å; V39-V42 PolarHBondContact O-N 3.41Å; V39-V42 VanDerWaalsContact O-N 3.08Å; V42-L66 HydrophobicContact CB-CD1 3.88Å; V42-L66 HydrophobicContact CG1-CD1 3.94Å; V42-L66 HydrophobicContact CG2-CD1 4.26Å; V42-V71 VanDerWaalsContact O-CG1 3.28Å; V42-V71 WeakPolarHBondContact O-CG1 3.48Å; V42-F196 HydrophobicContact CB-CE2 4.45Å; V42-F196 HydrophobicContact CG1-CD2 4.27Å; V42-F196 HydrophobicContact CG1-CE2 4.46Å; V42-F196 HydrophobicContact CG2-CD1 3.8Å; V42-F196 HydrophobicContact CG2-CD2 4.19Å; V42-F196 HydrophobicContact CG2-CE1 3.78Å; V42-F196 HydrophobicContact CG2-CE2 4.19Å; V42-F196 HydrophobicContact CG2-CG 4Å; V42-F196 HydrophobicContact CG2-CZ 3.99Å; V42-F198 HydrophobicContact CG2-CE1 4.45Å; V42-F198 HydrophobicContact CG2-CZ 4.31Å
43	P	98.2	Very high	97.9	Very high	73 Å²	73	37.4 Å²	37.4	47%	0.474	23%	0.232	S	C	.	.			trans	-79.5	154.9	-179.9	31.1	-33.2	0	0	0	112	D41 S46	D41-P43 WeakPolarHBondContact O-CD 3.25Å; P43-S46 WeakPolarHBondContact CD-OG 3.44Å; P43-S46 VanDerWaalsContact CG-OG 3.29Å; P43-S46 WeakPolarHBondContact CG-OG 3.12Å; P43-S46 VanDerWaalsContact O-CB 3.31Å; P43-S46 WeakPolarHBondContact O-CB 3.39Å; P43-S46 PolarHBondContact O-N 2.52Å; P43-S46 PolarHBondContact O-OG 3.48Å
44	S	98.7	Very high	97.7	Very high	67 Å²	67	34.1 Å²	34.1	47%	0.469	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.2	146.5	163.6	-57.8	0	0	0	0	110.6	S46 T72	S44-S46 VanDerWaalsContact C-N 3.27Å; S44-S46 PolarHBondContact O-N 3.11Å; S44-T72 CarbonylContact C-O 3.58Å; S44-T72 WeakPolarHBondContact CA-O 3.27Å; S44-T72 VanDerWaalsContact CB-O 3.24Å; S44-T72 WeakPolarHBondContact CB-O 3.45Å; S44-T72 PolarHBondContact OG-N 2.94Å
45	G	98.6	Very high	97.5	Very high	44 Å²	44	32 Å²	32	45%	0.454	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.7	-2.1	-176.4	0	0	0	0	0	115.2	T72 D73	G45-T72 PolarHBondContact N-O 3.21Å; G45-D73 WeakPolarHBondContact CA-O 3.12Å
46	S	98.8	Very high	97.4	Very high	4 Å²	4	31.6 Å²	31.6	3%	0.028	18%	0.18	C	C	.	.			trans	-62.5	145	178.5	-67.8	0	0	0	0	112.7	P43 S44 T75	P43-S46 WeakPolarHBondContact CD-OG 3.44Å; P43-S46 VanDerWaalsContact CG-OG 3.29Å; P43-S46 WeakPolarHBondContact CG-OG 3.12Å; P43-S46 VanDerWaalsContact O-CB 3.31Å; P43-S46 WeakPolarHBondContact O-CB 3.39Å; P43-S46 PolarHBondContact O-N 2.52Å; P43-S46 PolarHBondContact O-OG 3.48Å; S44-S46 VanDerWaalsContact C-N 3.27Å; S44-S46 PolarHBondContact O-N 3.11Å; S46-T75 PolarHBondContact O-N 3.16Å
47	R	98.8	Very high	97.3	Very high	91 Å²	91	28.7 Å²	28.7	34%	0.343	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	111.4	162	-174.3	-176.4	-73.4	175.2	-1.9	110.2	L49 T75 V77 N193 D195 F196	R47-L49 HydrophobicContact CG-CD2 4.47Å; R47-T75 CarbonylContact C-O 3.26Å; R47-T75 VanDerWaalsContact CA-O 3.31Å; R47-T75 WeakPolarHBondContact CA-O 3.44Å; R47-T75 HydrophobicContact CG-CG2 4.04Å; R47-V77 HydrophobicContact CG-CG2 4.08Å; R47-N193 WeakPolarHBondContact CD-O 3.25Å; R47-N193 PolarHBondContact NH1-O 3.31Å; R47-D195 PolarHBondContact N-OD2 2.81Å; R47-D195 PolarHBondContact O-N 3.23Å; R47-F196 PolarHBondContact O-N 3.09Å
48	L	98.8	Very high	97.2	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	118.5	-177.4	178.5	65.2	0	0	0	110.6	V50 L66 T75 I76 V77 F196 F198	L48-V50 HydrophobicContact CD2-CG2 3.9Å; L48-V50 HydrophobicContact CG-CG2 3.77Å; L48-L66 HydrophobicContact CD2-CD2 3.51Å; L48-T75 PolarHBondContact N-O 2.8Å; L48-I76 HydrophobicContact CB-CD1 4.03Å; L48-I76 HydrophobicContact CD2-CD1 3.93Å; L48-I76 HydrophobicContact CG-CD1 4.38Å; L48-I76 WeakPolarHBondContact O-CA 3.5Å; L48-V77 PolarHBondContact O-N 3.09Å; L48-F196 WeakPolarHBondContact CA-O 3.46Å; L48-F196 HydrophobicContact CD1-CB 3.69Å; L48-F198 HydrophobicContact CD1-CD1 3.72Å; L48-F198 HydrophobicContact CD1-CD2 4.1Å; L48-F198 HydrophobicContact CD1-CE1 3.71Å; L48-F198 HydrophobicContact CD1-CE2 4.14Å; L48-F198 HydrophobicContact CD1-CG 3.89Å; L48-F198 HydrophobicContact CD1-CZ 3.94Å; L48-F198 HydrophobicContact CD2-CD2 4.13Å; L48-F198 HydrophobicContact CD2-CE2 3.95Å; L48-F198 HydrophobicContact CD2-CZ 4.34Å
49	L	98.8	Very high	97.2	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	127.2	170.5	-41	-177.9	0	0	0	108.5	R47 V77 L134 F196 A197 F198 M223 A226 A227	R47-L49 HydrophobicContact CG-CD2 4.47Å; L49-V77 HydrophobicContact CD2-CB 3.53Å; L49-V77 HydrophobicContact CD2-CG1 4.08Å; L49-V77 HydrophobicContact CD2-CG2 3.53Å; L49-L134 HydrophobicContact CD1-CD2 3.85Å; L49-L134 HydrophobicContact CD2-CD2 4.23Å; L49-F196 PolarHBondContact N-O 3.1Å; L49-A197 HydrophobicContact CB-CB 4.07Å; L49-A197 HydrophobicContact CD1-CB 4.48Å; L49-A197 CarbonylContact O-C 3.24Å; L49-A197 VanDerWaalsContact O-CA 3.25Å; L49-A197 WeakPolarHBondContact O-CA 3.33Å; L49-F198 PolarHBondContact O-N 2.85Å; L49-M223 HydrophobicContact CB-CB 4.01Å; L49-M223 HydrophobicContact CB-CG 4.04Å; L49-M223 HydrophobicContact CB-SD 3.96Å; L49-M223 HydrophobicContact CD1-CB 4.41Å; L49-A226 HydrophobicContact CD1-CB 3.77Å; L49-A227 HydrophobicContact CD1-CB 4.06Å
50	V	98.6	Very high	97.1	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	108	-179.2	-177.3	0	0	0	0	109	L48 L58 P59 I63 I76 V77 S78 L88 M223	L48-V50 HydrophobicContact CD2-CG2 3.9Å; L48-V50 HydrophobicContact CG-CG2 3.77Å; V50-L58 HydrophobicContact CG1-CD1 3.93Å; V50-P59 HydrophobicContact CG1-CG 4.11Å; V50-I63 HydrophobicContact CG1-CD1 3.71Å; V50-I63 HydrophobicContact CG1-CG1 4.29Å; V50-I76 HydrophobicContact CG2-CG2 4.4Å; V50-V77 PolarHBondContact N-O 2.94Å; V50-S78 PolarHBondContact O-OG 2.77Å; V50-L88 HydrophobicContact CB-CD2 4.29Å; V50-L88 HydrophobicContact CG1-CD2 4.15Å; V50-L88 HydrophobicContact CG2-CD2 4.01Å; V50-M223 PolarHBondContact N-SD 2.84Å
51	G	97.9	Very high	97.1	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	12%	0.124	C	C	.	.			trans	-66	177.4	178.2	0	0	0	0	0	112.6	F198 N220 M223	G51-F198 PolarHBondContact N-O 3.34Å; G51-N220 WeakPolarHBondContact CA-OD1 3.41Å; G51-M223 VanDerWaalsContact CA-SD 3.52Å; G51-M223 PolarHBondContact N-SD 3.04Å
52	G	96.3	Very high	97.2	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	10%	0.104	C	C	.	.	S	Bend	trans	92.4	178.1	-172.7	0	0	0	0	0	113.7	C56 G57 N218 N220	G52-C56 CarbonylContact C-O 3.58Å; G52-C56 VanDerWaalsContact CA-O 3.26Å; G52-C56 WeakPolarHBondContact CA-O 3.37Å; G52-G57 WeakPolarHBondContact CA-O 3.38Å; G52-G57 PolarHBondContact N-O 3.3Å; G52-N218 WeakPolarHBondContact CA-OD1 3.47Å; G52-N218 PolarHBondContact N-OD1 3.45Å; G52-N220 PolarHBondContact N-ND2 3.02Å; G52-N220 PolarHBondContact N-OD1 3.04Å
53	L	94.1	Very high	97.1	Very high	6 Å²	6	16.1 Å²	16.1	3%	0.031	10%	0.103	C	C	.	.	B	Isolated β-bridge	trans	-143.1	111.1	174.4	-175.6	80.4	0	0	0	108.2	A55 C56 S79 T80 Q127 N218 V329 I348	L53-A55 PolarHBondContact O-N 3Å; L53-C56 PolarHBondContact N-O 2.8Å; L53-C56 WeakPolarHBondContact O-CB 3.24Å; L53-C56 PolarHBondContact O-N 3.13Å; L53-S79 WeakPolarHBondContact CD1-OG 3.38Å; L53-T80 HydrophobicContact CD1-CG2 3.85Å; L53-T80 HydrophobicContact CG-CG2 4.36Å; L53-Q127 VanDerWaalsContact CD1-NE2 3.26Å; L53-N218 HydrophobicContact CB-CB 4.49Å; L53-N218 PolarHBondContact N-ND2 3.31Å; L53-V329 HydrophobicContact CD2-CB 3.62Å; L53-V329 HydrophobicContact CD2-CG1 3.19Å; L53-I348 HydrophobicContact CD2-CD1 3.97Å
54	G	90.6	Very high	97.1	Very high	2 Å²	2	17.2 Å²	17.2	2%	0.021	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.7	-131.8	-168.1	0	0	0	0	0	110.5	T80 E268	G54-T80 WeakPolarHBondContact CA-OG1 3.24Å; G54-T80 PolarHBondContact N-OG1 2.71Å; G54-E268 WeakPolarHBondContact CA-OE2 3.18Å
55	A	93.1	Very high	97.1	Very high	11 Å²	11	14.7 Å²	14.7	9%	0.091	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-17.1	171.9	0	0	0	0	0	114.9	L53 G57 Y86 S266 E268	L53-A55 PolarHBondContact O-N 3Å; A55-G57 PolarHBondContact O-N 3.27Å; A55-Y86 HydrophobicContact CB-CE1 4.12Å; A55-S266 WeakPolarHBondContact CB-O 3.08Å; A55-E268 HydrophobicContact CB-CB 4.13Å; A55-E268 PolarHBondContact N-OE2 3.23Å; A55-E268 VanDerWaalsContact N-OE2 3.08Å
56	C	96.1	Very high	97.1	Very high	3 Å²	3	12.6 Å²	12.6	2%	0.02	6%	0.061	C	C	.	.	B	Isolated β-bridge	trans	-78.6	118.2	-173	173.7	0	0	0	0	111.8	G52 L53 L58 N218 I348	G52-C56 CarbonylContact C-O 3.58Å; G52-C56 VanDerWaalsContact CA-O 3.26Å; G52-C56 WeakPolarHBondContact CA-O 3.37Å; L53-C56 PolarHBondContact N-O 2.8Å; L53-C56 WeakPolarHBondContact O-CB 3.24Å; L53-C56 PolarHBondContact O-N 3.13Å; C56-L58 PolarHBondContact O-N 3.06Å; C56-N218 PolarHBondContact O-ND2 3.33Å; C56-N218 VanDerWaalsContact O-ND2 3.14Å; C56-I348 HydrophobicContact CB-CD1 3.44Å; C56-I348 VanDerWaalsContact CB-CD1 3.44Å; C56-I348 HydrophobicContact CB-CG1 3.89Å; C56-I348 HydrophobicContact CB-CG2 4.37Å
57	G	96.7	Very high	97	Very high	4 Å²	4	12.7 Å²	12.7	4%	0.041	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.6	27	-176.7	0	0	0	0	0	113.6	G52 A55 K200 N220	G52-G57 WeakPolarHBondContact CA-O 3.38Å; G52-G57 PolarHBondContact N-O 3.3Å; A55-G57 PolarHBondContact O-N 3.27Å; G57-K200 WeakPolarHBondContact O-CB 3.22Å; G57-N220 PolarHBondContact O-ND2 3.4Å
58	L	96.6	Very high	97	Very high	11 Å²	11	14.3 Å²	14.3	6%	0.058	7%	0.073	C	C	.	.			trans	-83.5	131.9	177.7	-169.7	73.2	0	0	0	110.4	V50 C56 S60 I63 Y86	V50-L58 HydrophobicContact CG1-CD1 3.93Å; C56-L58 PolarHBondContact O-N 3.06Å; L58-S60 PolarHBondContact O-N 3.48Å; L58-I63 HydrophobicContact CD1-CD1 3.81Å; L58-I63 HydrophobicContact CD2-CD1 4.15Å; L58-I63 HydrophobicContact CG-CD1 3.79Å; L58-Y86 HydrophobicContact CD2-CD1 4.11Å; L58-Y86 HydrophobicContact CD2-CE1 3.75Å
59	P	97.6	Very high	96.9	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.09	C	C	.	.			trans	-79.1	68.5	176.1	33.3	-36.5	0	0	0	111.3	V50 D61 L62 I63 F198 K200 E233	V50-P59 HydrophobicContact CG1-CG 4.11Å; P59-D61 PolarHBondContact O-N 3.3Å; P59-L62 HydrophobicContact CB-CB 4.36Å; P59-L62 HydrophobicContact CB-CD1 4.11Å; P59-L62 PolarHBondContact O-N 2.97Å; P59-I63 HydrophobicContact CG-CD1 4.25Å; P59-I63 HydrophobicContact CG-CG1 4.49Å; P59-I63 WeakPolarHBondContact O-CD1 3.18Å; P59-I63 VanDerWaalsContact O-CG1 3.26Å; P59-I63 WeakPolarHBondContact O-CG1 3.39Å; P59-I63 PolarHBondContact O-N 2.84Å; P59-I63 VanDerWaalsContact O-N 3.09Å; P59-F198 HydrophobicContact CB-CB 4.13Å; P59-F198 HydrophobicContact CG-CB 3.61Å; P59-K200 HydrophobicContact CB-CB 4.41Å; P59-E233 WeakPolarHBondContact CA-OE2 3.32Å; P59-E233 HydrophobicContact CB-CB 4.2Å
60	S	96.6	Very high	96.6	Very high	3 Å²	3	19.6 Å²	19.6	2%	0.021	12%	0.116	C	C	.	.	H	α-helix	trans	-62.4	-37	-171.6	49.2	0	0	0	0	113.5	L58 I63 K64 Y86 W90 E233	L58-S60 PolarHBondContact O-N 3.48Å; S60-I63 PolarHBondContact O-N 3.46Å; S60-K64 VanDerWaalsContact O-CB 3.31Å; S60-K64 WeakPolarHBondContact O-CB 3.2Å; S60-K64 PolarHBondContact O-N 3.43Å; S60-Y86 WeakPolarHBondContact CB-OH 3.32Å; S60-Y86 PolarHBondContact OG-OH 2.94Å; S60-W90 WeakPolarHBondContact O-CZ3 3.23Å; S60-E233 PolarHBondContact N-OE2 3.04Å
61	D	98.1	Very high	96.6	Very high	20 Å²	20	20.4 Å²	20.4	11%	0.107	12%	0.12	C	C	.	.	H	α-helix	trans	-68.7	-39.1	-177.8	-58.6	-36.6	0	0	0	111.1	P59 S65 E233 S261 S262	P59-D61 PolarHBondContact O-N 3.3Å; D61-S65 WeakPolarHBondContact O-CB 3.48Å; D61-S65 PolarHBondContact O-N 2.75Å; D61-S65 PolarHBondContact O-OG 3.48Å; D61-E233 WeakPolarHBondContact CB-OE2 3.44Å; D61-E233 PolarHBondContact N-OE2 2.88Å; D61-S261 WeakPolarHBondContact OD2-CA 3.43Å; D61-S261 PolarHBondContact OD2-OG 3.31Å; D61-S262 VanDerWaalsContact CG-OG 3.29Å; D61-S262 WeakPolarHBondContact OD1-CB 3.21Å; D61-S262 PolarHBondContact OD1-OG 3.3Å; D61-S262 PolarHBondContact OD2-N 3.31Å; D61-S262 PolarHBondContact OD2-OG 2.87Å; D61-S262 VanDerWaalsContact OD2-OG 3.08Å
62	L	98.7	Very high	96.6	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-65.1	-44.7	174.2	-69.4	176.1	0	0	0	111.6	A38 V39 P59 S65 L66 F198 I231 E233 V259	A38-L62 HydrophobicContact CB-CD2 4.38Å; V39-L62 HydrophobicContact CG1-CB 4.45Å; V39-L62 HydrophobicContact CG1-CD2 3.77Å; P59-L62 HydrophobicContact CB-CB 4.36Å; P59-L62 HydrophobicContact CB-CD1 4.11Å; P59-L62 PolarHBondContact O-N 2.97Å; L62-S65 PolarHBondContact O-N 3.46Å; L62-L66 WeakPolarHBondContact O-CB 3.34Å; L62-L66 PolarHBondContact O-N 3.02Å; L62-F198 HydrophobicContact CB-CB 4.37Å; L62-F198 HydrophobicContact CB-CD2 3.62Å; L62-F198 HydrophobicContact CB-CE2 3.99Å; L62-F198 HydrophobicContact CB-CG 3.96Å; L62-F198 HydrophobicContact CD1-CB 4Å; L62-F198 HydrophobicContact CD1-CD1 4.26Å; L62-F198 HydrophobicContact CD1-CG 4.03Å; L62-I231 HydrophobicContact CD1-CB 4.07Å; L62-I231 HydrophobicContact CD1-CG2 3.68Å; L62-I231 WeakPolarHBondContact CD1-O 3.41Å; L62-I231 HydrophobicContact CD2-CG2 3.61Å; L62-I231 HydrophobicContact CG-CG2 4.34Å; L62-E233 HydrophobicContact CD1-CB 3.88Å; L62-E233 HydrophobicContact CG-CB 4.16Å; L62-E233 PolarHBondContact N-OE2 2.93Å; L62-E233 VanDerWaalsContact N-OE2 3.14Å; L62-V259 HydrophobicContact CD2-CG2 3.73Å; L62-V259 HydrophobicContact CG-CG2 4.2Å
63	I	98.1	Very high	96.7	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-64.2	-43.1	178.4	-61.3	161.7	0	0	0	110.7	V50 L58 P59 S60 S65 L66 S67 G87 L88 W90 L91 F198	V50-I63 HydrophobicContact CG1-CD1 3.71Å; V50-I63 HydrophobicContact CG1-CG1 4.29Å; L58-I63 HydrophobicContact CD1-CD1 3.81Å; L58-I63 HydrophobicContact CD2-CD1 4.15Å; L58-I63 HydrophobicContact CG-CD1 3.79Å; P59-I63 HydrophobicContact CG-CD1 4.25Å; P59-I63 HydrophobicContact CG-CG1 4.49Å; P59-I63 WeakPolarHBondContact O-CD1 3.18Å; P59-I63 VanDerWaalsContact O-CG1 3.26Å; P59-I63 WeakPolarHBondContact O-CG1 3.39Å; P59-I63 PolarHBondContact O-N 2.84Å; P59-I63 VanDerWaalsContact O-N 3.09Å; S60-I63 PolarHBondContact O-N 3.46Å; I63-S65 PolarHBondContact O-N 3.03Å; I63-L66 PolarHBondContact O-N 3.43Å; I63-S67 WeakPolarHBondContact O-CB 3.49Å; I63-S67 PolarHBondContact O-N 3.37Å; I63-G87 VanDerWaalsContact CG2-C 3.45Å; I63-G87 WeakPolarHBondContact CG2-O 2.92Å; I63-L88 HydrophobicContact CD1-CD2 4.46Å; I63-W90 HydrophobicContact CG2-CE3 4.24Å; I63-L91 HydrophobicContact CG2-CD1 4.06Å; I63-L91 HydrophobicContact CG2-CD2 4.36Å; I63-L91 HydrophobicContact CG2-CG 3.94Å; I63-F198 HydrophobicContact CG1-CD2 4.32Å
64	K	97.4	Very high	96.9	Very high	95 Å²	95	27 Å²	27	41%	0.413	16%	0.158	S	C	.	.	H	α-helix	trans	-58.4	-49.5	176.1	-171.6	174.1	179.4	177.3	0	111	S60 L66 S67 E68 W90	S60-K64 VanDerWaalsContact O-CB 3.31Å; S60-K64 WeakPolarHBondContact O-CB 3.2Å; S60-K64 PolarHBondContact O-N 3.43Å; K64-L66 VanDerWaalsContact C-N 3.33Å; K64-L66 PolarHBondContact O-N 2.93Å; K64-S67 WeakPolarHBondContact O-CB 3.15Å; K64-S67 PolarHBondContact O-N 2.92Å; K64-S67 VanDerWaalsContact O-N 3.09Å; K64-S67 PolarHBondContact O-OG 3.14Å; K64-E68 PolarHBondContact O-N 2.81Å; K64-W90 HydrophobicContact CB-CE3 3.87Å; K64-W90 HydrophobicContact CB-CH2 4.19Å; K64-W90 HydrophobicContact CB-CZ3 3.53Å; K64-W90 HydrophobicContact CD-CH2 4.37Å; K64-W90 HydrophobicContact CG-CE3 4.36Å; K64-W90 HydrophobicContact CG-CH2 4.48Å; K64-W90 HydrophobicContact CG-CZ3 4.17Å
65	S	98.6	Very high	97.3	Very high	15 Å²	15	28 Å²	28	11%	0.105	16%	0.163	C	C	.	.	H	α-helix	trans	-61.5	-41.4	179.4	-59.9	0	0	0	0	111.9	S35 S36 D61 L62 I63 S67 E68	S35-S65 WeakPolarHBondContact CB-OG 2.8Å; S36-S65 PolarHBondContact N-OG 2.87Å; D61-S65 WeakPolarHBondContact O-CB 3.48Å; D61-S65 PolarHBondContact O-N 2.75Å; D61-S65 PolarHBondContact O-OG 3.48Å; L62-S65 PolarHBondContact O-N 3.46Å; I63-S65 PolarHBondContact O-N 3.03Å; S65-S67 VanDerWaalsContact C-N 3.31Å; S65-S67 PolarHBondContact O-N 2.92Å; S65-E68 PolarHBondContact O-N 3.48Å
66	L	98.6	Very high	97.5	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-64	-40	175.3	-173.2	70.5	0	0	0	110.9	V39 V42 L48 L62 I63 K64 E68 T69 V71 L74 L91 M96 F198	V39-L66 HydrophobicContact CB-CD1 4.31Å; V39-L66 HydrophobicContact CG2-CB 4.4Å; V42-L66 HydrophobicContact CB-CD1 3.88Å; V42-L66 HydrophobicContact CG1-CD1 3.94Å; V42-L66 HydrophobicContact CG2-CD1 4.26Å; L48-L66 HydrophobicContact CD2-CD2 3.51Å; L62-L66 WeakPolarHBondContact O-CB 3.34Å; L62-L66 PolarHBondContact O-N 3.02Å; I63-L66 PolarHBondContact O-N 3.43Å; K64-L66 VanDerWaalsContact C-N 3.33Å; K64-L66 PolarHBondContact O-N 2.93Å; L66-E68 PolarHBondContact O-N 2.76Å; L66-T69 PolarHBondContact O-N 2.78Å; L66-T69 PolarHBondContact O-OG1 2.72Å; L66-V71 HydrophobicContact CD1-CG2 3.81Å; L66-V71 HydrophobicContact CG-CG2 4.1Å; L66-L74 HydrophobicContact CD2-CD1 3.99Å; L66-L91 HydrophobicContact CD2-CD1 4.48Å; L66-M96 WeakPolarHBondContact O-CE 2.93Å; L66-F198 HydrophobicContact CB-CE2 4Å; L66-F198 HydrophobicContact CB-CZ 4.41Å; L66-F198 HydrophobicContact CD1-CZ 4.48Å; L66-F198 HydrophobicContact CD2-CE2 3.84Å; L66-F198 HydrophobicContact CD2-CZ 4.12Å; L66-F198 HydrophobicContact CG-CE2 4.43Å
67	S	97.4	Very high	97.7	Very high	6 Å²	6	27.3 Å²	27.3	4%	0.042	16%	0.158	C	C	.	.	H	α-helix	trans	-59.7	-17.3	178.4	88.3	0	0	0	0	113.6	I63 K64 S65 K94	I63-S67 WeakPolarHBondContact O-CB 3.49Å; I63-S67 PolarHBondContact O-N 3.37Å; K64-S67 WeakPolarHBondContact O-CB 3.15Å; K64-S67 PolarHBondContact O-N 2.92Å; K64-S67 VanDerWaalsContact O-N 3.09Å; K64-S67 PolarHBondContact O-OG 3.14Å; S65-S67 VanDerWaalsContact C-N 3.31Å; S65-S67 PolarHBondContact O-N 2.92Å; S67-K94 WeakPolarHBondContact O-CD 3.48Å; S67-K94 WeakPolarHBondContact O-CE 3.38Å; S67-K94 PolarHBondContact O-NZ 3.36Å
68	E	97.6	Very high	97.7	Very high	125 Å²	125	27.1 Å²	27.1	58%	0.584	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.1	-10.2	-179.2	-66.4	170	178.1	0	0	113	K64 S65 L66	K64-E68 PolarHBondContact O-N 2.81Å; S65-E68 PolarHBondContact O-N 3.48Å; L66-E68 PolarHBondContact O-N 2.76Å
69	T	97.2	Very high	97.6	Very high	59 Å²	59	26.6 Å²	26.6	36%	0.362	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-22.2	-178.4	67.9	0	0	0	0	113.6	V39 L66 V71	V39-T69 HydrophobicContact CG2-CG2 4.34Å; L66-T69 PolarHBondContact O-N 2.78Å; L66-T69 PolarHBondContact O-OG1 2.72Å; T69-V71 VanDerWaalsContact C-N 3.32Å; T69-V71 WeakPolarHBondContact OG1-CG1 3.41Å; T69-V71 WeakPolarHBondContact OG1-CG2 3.33Å; T69-V71 PolarHBondContact OG1-N 3.18Å
70	G	92.6	Very high	97.4	Very high	52 Å²	52	26.9 Å²	26.9	54%	0.536	16%	0.155	S	C	.	.			trans	75.8	14.7	-176.3	0	0	0	0	0	114.8
71	V	98	Very high	97.1	Very high	16 Å²	16	26.7 Å²	26.7	10%	0.097	15%	0.154	C	C	.	.			trans	-60.7	146.4	171.9	-63.2	0	0	0	0	111.1	V42 L66 T69 L74 M96	V42-V71 VanDerWaalsContact O-CG1 3.28Å; V42-V71 WeakPolarHBondContact O-CG1 3.48Å; L66-V71 HydrophobicContact CD1-CG2 3.81Å; L66-V71 HydrophobicContact CG-CG2 4.1Å; T69-V71 VanDerWaalsContact C-N 3.32Å; T69-V71 WeakPolarHBondContact OG1-CG1 3.41Å; T69-V71 WeakPolarHBondContact OG1-CG2 3.33Å; T69-V71 PolarHBondContact OG1-N 3.18Å; V71-L74 HydrophobicContact CG2-CD1 4.09Å; V71-L74 HydrophobicContact CG2-CD2 4.19Å; V71-L74 HydrophobicContact CG2-CG 4.37Å; V71-M96 HydrophobicContact CB-CE 4.43Å; V71-M96 HydrophobicContact CG2-CE 3.47Å; V71-M96 VanDerWaalsContact CG2-CE 3.47Å; V71-M96 WeakPolarHBondContact O-CB 3.06Å; V71-M96 WeakPolarHBondContact O-CE 3.32Å; V71-M96 VanDerWaalsContact O-CG 3.3Å; V71-M96 WeakPolarHBondContact O-CG 3.35Å
72	T	98	Very high	96.7	Very high	57 Å²	57	26.1 Å²	26.1	35%	0.35	15%	0.153	S	C	.	.			trans	-127.4	176.1	-176	61.9	0	0	0	0	111.7	S44 G45 L74 M96	S44-T72 CarbonylContact C-O 3.58Å; S44-T72 WeakPolarHBondContact CA-O 3.27Å; S44-T72 VanDerWaalsContact CB-O 3.24Å; S44-T72 WeakPolarHBondContact CB-O 3.45Å; S44-T72 PolarHBondContact OG-N 2.94Å; G45-T72 PolarHBondContact N-O 3.21Å; T72-L74 PolarHBondContact O-N 3.25Å; T72-L74 VanDerWaalsContact O-N 3.15Å; T72-M96 CarbonylContact C-O 3.2Å
73	D	98.4	Very high	96.2	Very high	87 Å²	87	28.4 Å²	28.4	47%	0.465	17%	0.167	S	C	.	.	S	Bend	trans	60.7	25.3	173	-55.2	-69.3	0	0	0	114.8	G45 M96 K98	G45-D73 WeakPolarHBondContact CA-O 3.12Å; D73-M96 PolarHBondContact N-O 2.95Å; D73-M96 VanDerWaalsContact N-O 3.14Å; D73-K98 HydrophobicContact CB-CB 4.37Å
74	L	98.8	Very high	95.7	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	141.7	-178.9	-62.1	175.8	0	0	0	111.2	L66 V71 T72 I76 L91 M96 K98 R99	L66-L74 HydrophobicContact CD2-CD1 3.99Å; V71-L74 HydrophobicContact CG2-CD1 4.09Å; V71-L74 HydrophobicContact CG2-CD2 4.19Å; V71-L74 HydrophobicContact CG2-CG 4.37Å; T72-L74 PolarHBondContact O-N 3.25Å; T72-L74 VanDerWaalsContact O-N 3.15Å; L74-I76 HydrophobicContact CB-CD1 4.01Å; L74-I76 HydrophobicContact CB-CG1 4.47Å; L74-I76 HydrophobicContact CD1-CD1 4.21Å; L74-L91 HydrophobicContact CD1-CD1 4.45Å; L74-M96 WeakPolarHBondContact CB-O 3.48Å; L74-M96 HydrophobicContact CD1-CB 4.47Å; L74-M96 WeakPolarHBondContact CG-O 3.4Å; L74-M96 PolarHBondContact N-O 3.17Å; L74-K98 PolarHBondContact O-N 3.3Å; L74-R99 PolarHBondContact O-N 3.08Å; L74-R99 VanDerWaalsContact O-N 3.16Å
75	T	98.8	Very high	95.2	Very high	23 Å²	23	33.1 Å²	33.1	14%	0.141	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	106.9	161.3	-61.2	0	0	0	0	108.5	S46 R47 L48 R99 I101	S46-T75 PolarHBondContact O-N 3.16Å; R47-T75 CarbonylContact C-O 3.26Å; R47-T75 VanDerWaalsContact CA-O 3.31Å; R47-T75 WeakPolarHBondContact CA-O 3.44Å; R47-T75 HydrophobicContact CG-CG2 4.04Å; L48-T75 PolarHBondContact N-O 2.8Å; T75-R99 CarbonylContact C-O 3.5Å; T75-R99 WeakPolarHBondContact CA-O 3.5Å; T75-R99 HydrophobicContact CG2-CB 4.06Å; T75-R99 HydrophobicContact CG2-CG 4.09Å; T75-I101 HydrophobicContact CG2-CD1 4.25Å; T75-I101 HydrophobicContact CG2-CG1 4.41Å
76	I	98.5	Very high	94.9	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	130.2	178.2	-56.9	-57.8	0	0	0	109.6	L48 V50 L74 L88 L91 V97 R99 V100 I101	L48-I76 HydrophobicContact CB-CD1 4.03Å; L48-I76 HydrophobicContact CD2-CD1 3.93Å; L48-I76 HydrophobicContact CG-CD1 4.38Å; L48-I76 WeakPolarHBondContact O-CA 3.5Å; V50-I76 HydrophobicContact CG2-CG2 4.4Å; L74-I76 HydrophobicContact CB-CD1 4.01Å; L74-I76 HydrophobicContact CB-CG1 4.47Å; L74-I76 HydrophobicContact CD1-CD1 4.21Å; I76-L88 HydrophobicContact CG2-CD1 4.2Å; I76-L88 HydrophobicContact CG2-CD2 3.93Å; I76-L91 HydrophobicContact CD1-CD1 4.04Å; I76-V97 HydrophobicContact CB-CG1 4.4Å; I76-V97 HydrophobicContact CD1-CG2 4.35Å; I76-V97 HydrophobicContact CG1-CB 4.36Å; I76-V97 HydrophobicContact CG1-CG1 3.74Å; I76-V97 HydrophobicContact CG1-CG2 3.67Å; I76-R99 PolarHBondContact N-O 3.36Å; I76-V100 HydrophobicContact CB-CG2 4.36Å; I76-V100 CarbonylContact O-C 3.46Å; I76-V100 WeakPolarHBondContact O-CA 3.05Å; I76-I101 PolarHBondContact O-N 2.75Å
77	V	98.6	Very high	94.7	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	114.6	167.1	-176.2	0	0	0	0	107.7	R47 L48 L49 V50 I101 L130 L134 L192 M223	R47-V77 HydrophobicContact CG-CG2 4.08Å; L48-V77 PolarHBondContact O-N 3.09Å; L49-V77 HydrophobicContact CD2-CB 3.53Å; L49-V77 HydrophobicContact CD2-CG1 4.08Å; L49-V77 HydrophobicContact CD2-CG2 3.53Å; V50-V77 PolarHBondContact N-O 2.94Å; V77-I101 WeakPolarHBondContact CA-O 3.37Å; V77-I101 HydrophobicContact CG2-CB 4.22Å; V77-I101 HydrophobicContact CG2-CD1 4.2Å; V77-L130 HydrophobicContact CG1-CD1 3.73Å; V77-L134 HydrophobicContact CG1-CD2 4.49Å; V77-L192 HydrophobicContact CB-CD2 4.41Å; V77-L192 HydrophobicContact CG1-CD2 3.49Å; V77-L192 VanDerWaalsContact CG1-CD2 3.49Å; V77-L192 HydrophobicContact CG2-CD1 4.49Å; V77-L192 HydrophobicContact CG2-CD2 4.03Å; V77-M223 HydrophobicContact CG1-CE 4.41Å
78	S	97.5	Very high	94.6	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.007	19%	0.193	C	C	.	.			trans	-150	151.5	177.3	-169.7	0	0	0	0	110.8	V50 T80 I101 S102	V50-S78 PolarHBondContact O-OG 2.77Å; S78-T80 WeakPolarHBondContact CB-O 3.41Å; S78-T80 PolarHBondContact O-N 2.87Å; S78-T80 PolarHBondContact OG-O 2.93Å; S78-I101 PolarHBondContact N-O 3.29Å; S78-I101 VanDerWaalsContact N-O 3.17Å; S78-S102 WeakPolarHBondContact O-CA 3.46Å; S78-S102 WeakPolarHBondContact O-CB 3.41Å; S78-S102 PolarHBondContact O-OG 3.31Å
79	S	94.6	Very high	94.4	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	17%	0.165	C	C	.	.	S	Bend	trans	-62.5	-31.9	177.2	-172.5	0	0	0	0	112.7	L53 S102 S103 Y104 Q127 F219	L53-S79 WeakPolarHBondContact CD1-OG 3.38Å; S79-S102 VanDerWaalsContact C-OG 3.3Å; S79-S102 PolarHBondContact O-OG 3.08Å; S79-S103 PolarHBondContact O-N 2.9Å; S79-Y104 PolarHBondContact O-N 3.33Å; S79-Y104 VanDerWaalsContact O-N 3.11Å; S79-Q127 PolarHBondContact OG-NE2 3.26Å; S79-F219 WeakPolarHBondContact OG-CE2 3.35Å
80	T	93.2	Very high	94.4	Very high	5 Å²	5	27.4 Å²	27.4	3%	0.031	16%	0.158	C	C	.	.	B	Isolated β-bridge	trans	-134.1	157.4	-177.9	63.2	0	0	0	0	111.4	L53 G54 S78 G82 L88 S102 Y104 M352	L53-T80 HydrophobicContact CD1-CG2 3.85Å; L53-T80 HydrophobicContact CG-CG2 4.36Å; G54-T80 WeakPolarHBondContact CA-OG1 3.24Å; G54-T80 PolarHBondContact N-OG1 2.71Å; S78-T80 WeakPolarHBondContact CB-O 3.41Å; S78-T80 PolarHBondContact O-N 2.87Å; S78-T80 PolarHBondContact OG-O 2.93Å; T80-G82 VanDerWaalsContact C-N 3.3Å; T80-L88 WeakPolarHBondContact O-CD1 3.47Å; T80-S102 PolarHBondContact N-OG 2.95Å; T80-Y104 CarbonylContact C-O 3.55Å; T80-Y104 WeakPolarHBondContact CA-O 3.04Å; T80-Y104 HydrophobicContact CG2-CD1 4.37Å; T80-M352 HydrophobicContact CG2-CE 3.65Å
81	C	91.3	Very high	94.6	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.132	C	C	.	.			trans	-86	4.5	170.5	-61.5	0	0	0	0	114.3	F92 Y104 N108 F111	C81-F92 HydrophobicContact CB-CE2 4.25Å; C81-F92 HydrophobicContact CB-CZ 4.49Å; C81-F92 WeakPolarHBondContact O-CE2 3.47Å; C81-Y104 PolarHBondContact N-O 2.98Å; C81-N108 PolarHBondContact O-ND2 3.12Å; C81-F111 HydrophobicContact CB-CD1 4.34Å; C81-F111 HydrophobicContact CB-CG 4.27Å
82	G	88.2	Confident	94.5	Very high	8 Å²	8	24.2 Å²	24.2	8%	0.082	13%	0.128	C	C	.	.			trans	63.1	-153.7	176.3	0	0	0	0	0	114	T80 G107 N108	T80-G82 VanDerWaalsContact C-N 3.3Å; G82-G107 CarbonylContact O-C 3.57Å; G82-G107 VanDerWaalsContact O-C 3.26Å; G82-N108 WeakPolarHBondContact O-CB 3.26Å
83	V	89.8	Confident	94.4	Very high	47 Å²	47	23.9 Å²	23.9	29%	0.285	13%	0.128	S	C	.	.	B	Isolated β-bridge	trans	-116.1	156.9	179.6	-60.6	0	0	0	0	111.2	N85 Y86 G89 N108 E268	V83-N85 PolarHBondContact O-N 3.17Å; V83-Y86 VanDerWaalsContact O-O 3.1Å; V83-G89 WeakPolarHBondContact O-CA 3.34Å; V83-N108 PolarHBondContact O-ND2 2.84Å; V83-E268 HydrophobicContact CG1-CG 4.22Å
84	E	86	Confident	94.3	Very high	71 Å²	71	24.7 Å²	24.7	33%	0.332	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-39.4	-169.2	-172.2	172	-167.9	0	0	114.9	G89 E110	E84-G89 CarbonylContact O-C 3.55Å; E84-G89 WeakPolarHBondContact O-CA 3.06Å; E84-E110 HydrophobicContact CG-CB 3.95Å
85	N	88.1	Confident	94.2	Very high	123 Å²	123	29.5 Å²	29.5	66%	0.658	15%	0.15	S	C	*	.	T	Hydrogen-bonded Turn	trans	-111.1	19.8	-171.3	-67.4	-52.2	0	0	0	114.5	V83 W90	V83-N85 PolarHBondContact O-N 3.17Å; N85-W90 PolarHBondContact O-NE1 2.02Å
86	Y	91.6	Very high	94.1	Very high	26 Å²	26	28.6 Å²	28.6	10%	0.102	14%	0.144	C	C	.	.	B	Isolated β-bridge	trans	-149.4	141.8	179.7	-179	-100	0	0	0	111.5	A55 L58 S60 V83 L88 G89 W90	A55-Y86 HydrophobicContact CB-CE1 4.12Å; L58-Y86 HydrophobicContact CD2-CD1 4.11Å; L58-Y86 HydrophobicContact CD2-CE1 3.75Å; S60-Y86 WeakPolarHBondContact CB-OH 3.32Å; S60-Y86 PolarHBondContact OG-OH 2.94Å; V83-Y86 VanDerWaalsContact O-O 3.1Å; Y86-L88 PolarHBondContact O-N 3.38Å; Y86-G89 PolarHBondContact O-N 3.39Å; Y86-G89 VanDerWaalsContact O-N 3.17Å; Y86-W90 AromaticContact CD2-CH2 3.92Å; Y86-W90 HydrophobicContact CD2-CH2 3.92Å; Y86-W90 AromaticContact CD2-CZ2 3.91Å; Y86-W90 HydrophobicContact CD2-CZ2 3.91Å; Y86-W90 HydrophobicContact CE2-CH2 4.25Å; Y86-W90 HydrophobicContact CG-CZ2 4.5Å
87	G	93.7	Very high	94.1	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.5	-123.9	176.5	0	0	0	0	0	112.6	I63 G89 W90	I63-G87 VanDerWaalsContact CG2-C 3.45Å; I63-G87 WeakPolarHBondContact CG2-O 2.92Å; G87-G89 PolarHBondContact O-N 3.06Å; G87-G89 VanDerWaalsContact O-N 3.12Å; G87-W90 WeakPolarHBondContact O-CB 3.41Å; G87-W90 PolarHBondContact O-N 3.4Å
88	L	95.6	Very high	94.1	Very high	4 Å²	4	33.6 Å²	33.6	2%	0.021	17%	0.166	C	C	.	.	H	α-helix	trans	-57.1	-27.2	179.8	-67	179.9	0	0	0	113.1	V50 I63 I76 T80 Y86 W90 L91 F92	V50-L88 HydrophobicContact CB-CD2 4.29Å; V50-L88 HydrophobicContact CG1-CD2 4.15Å; V50-L88 HydrophobicContact CG2-CD2 4.01Å; I63-L88 HydrophobicContact CD1-CD2 4.46Å; I76-L88 HydrophobicContact CG2-CD1 4.2Å; I76-L88 HydrophobicContact CG2-CD2 3.93Å; T80-L88 WeakPolarHBondContact O-CD1 3.47Å; Y86-L88 PolarHBondContact O-N 3.38Å; L88-W90 PolarHBondContact O-N 2.89Å; L88-L91 HydrophobicContact CD2-CD1 4.12Å; L88-L91 WeakPolarHBondContact O-CB 3.41Å; L88-L91 PolarHBondContact O-N 3.2Å; L88-F92 HydrophobicContact CB-CD2 4.38Å; L88-F92 HydrophobicContact CB-CE2 3.73Å; L88-F92 HydrophobicContact CB-CZ 4.25Å; L88-F92 WeakPolarHBondContact O-CD2 3.39Å; L88-F92 PolarHBondContact O-N 2.89Å; L88-F92 VanDerWaalsContact O-N 3.14Å
89	G	94.9	Very high	94.2	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-52.7	-36.1	173.5	0	0	0	0	0	114.2	V83 E84 Y86 G87 L91 F92 S93	V83-G89 WeakPolarHBondContact O-CA 3.34Å; E84-G89 CarbonylContact O-C 3.55Å; E84-G89 WeakPolarHBondContact O-CA 3.06Å; Y86-G89 PolarHBondContact O-N 3.39Å; Y86-G89 VanDerWaalsContact O-N 3.17Å; G87-G89 PolarHBondContact O-N 3.06Å; G87-G89 VanDerWaalsContact O-N 3.12Å; G89-L91 VanDerWaalsContact C-N 3.34Å; G89-L91 PolarHBondContact O-N 2.8Å; G89-F92 PolarHBondContact O-N 2.84Å; G89-S93 WeakPolarHBondContact O-CB 3.42Å; G89-S93 PolarHBondContact O-N 3.02Å; G89-S93 PolarHBondContact O-OG 3.33Å
90	W	95.8	Very high	94.3	Very high	55 Å²	55	36.8 Å²	36.8	21%	0.208	18%	0.178	C	C	.	.	H	α-helix	trans	-65.5	-36.8	176.5	-59	-38.8	0	0	0	112.5	S60 I63 K64 N85 Y86 G87 L88 K94	S60-W90 WeakPolarHBondContact O-CZ3 3.23Å; I63-W90 HydrophobicContact CG2-CE3 4.24Å; K64-W90 HydrophobicContact CB-CE3 3.87Å; K64-W90 HydrophobicContact CB-CH2 4.19Å; K64-W90 HydrophobicContact CB-CZ3 3.53Å; K64-W90 HydrophobicContact CD-CH2 4.37Å; K64-W90 HydrophobicContact CG-CE3 4.36Å; K64-W90 HydrophobicContact CG-CH2 4.48Å; K64-W90 HydrophobicContact CG-CZ3 4.17Å; N85-W90 PolarHBondContact O-NE1 2.02Å; Y86-W90 AromaticContact CD2-CH2 3.92Å; Y86-W90 HydrophobicContact CD2-CH2 3.92Å; Y86-W90 AromaticContact CD2-CZ2 3.91Å; Y86-W90 HydrophobicContact CD2-CZ2 3.91Å; Y86-W90 HydrophobicContact CE2-CH2 4.25Å; Y86-W90 HydrophobicContact CG-CZ2 4.5Å; G87-W90 WeakPolarHBondContact O-CB 3.41Å; G87-W90 PolarHBondContact O-N 3.4Å; L88-W90 PolarHBondContact O-N 2.89Å; W90-K94 WeakPolarHBondContact O-CB 3.45Å; W90-K94 WeakPolarHBondContact O-CG 3.32Å; W90-K94 PolarHBondContact O-N 3.21Å
91	L	97.2	Very high	94.6	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-71.6	-38.5	178.3	-56.1	-177	0	0	0	111.4	I63 L66 L74 I76 L88 G89 K94 H95 M96 V97	I63-L91 HydrophobicContact CG2-CD1 4.06Å; I63-L91 HydrophobicContact CG2-CD2 4.36Å; I63-L91 HydrophobicContact CG2-CG 3.94Å; L66-L91 HydrophobicContact CD2-CD1 4.48Å; L74-L91 HydrophobicContact CD1-CD1 4.45Å; I76-L91 HydrophobicContact CD1-CD1 4.04Å; L88-L91 HydrophobicContact CD2-CD1 4.12Å; L88-L91 WeakPolarHBondContact O-CB 3.41Å; L88-L91 PolarHBondContact O-N 3.2Å; G89-L91 VanDerWaalsContact C-N 3.34Å; G89-L91 PolarHBondContact O-N 2.8Å; L91-K94 PolarHBondContact O-N 3.04Å; L91-H95 PolarHBondContact O-N 3.16Å; L91-M96 HydrophobicContact CD2-CE 4.14Å; L91-M96 HydrophobicContact CD2-SD 3.86Å; L91-M96 PolarHBondContact O-N 2.98Å; L91-V97 HydrophobicContact CB-CG2 3.83Å
92	F	96	Very high	94.8	Very high	1 Å²	1	36.8 Å²	36.8	0%	0.004	18%	0.178	C	C	.	.	H	α-helix	trans	-66.3	-49	175.4	-59.2	-47.8	0	0	0	111.4	C81 L88 G89 K94 H95 V97 V100 N108 F111 Q114 I120	C81-F92 HydrophobicContact CB-CE2 4.25Å; C81-F92 HydrophobicContact CB-CZ 4.49Å; C81-F92 WeakPolarHBondContact O-CE2 3.47Å; L88-F92 HydrophobicContact CB-CD2 4.38Å; L88-F92 HydrophobicContact CB-CE2 3.73Å; L88-F92 HydrophobicContact CB-CZ 4.25Å; L88-F92 WeakPolarHBondContact O-CD2 3.39Å; L88-F92 PolarHBondContact O-N 2.89Å; L88-F92 VanDerWaalsContact O-N 3.14Å; G89-F92 PolarHBondContact O-N 2.84Å; F92-K94 PolarHBondContact O-N 2.9Å; F92-K94 VanDerWaalsContact O-N 3.14Å; F92-H95 PolarHBondContact O-N 2.85Å; F92-V97 HydrophobicContact CD1-CB 4.06Å; F92-V97 HydrophobicContact CD1-CG1 4.48Å; F92-V97 HydrophobicContact CD1-CG2 3.91Å; F92-V97 HydrophobicContact CE1-CB 4.05Å; F92-V97 HydrophobicContact CE1-CG1 4Å; F92-V97 HydrophobicContact CE1-CG2 3.89Å; F92-V100 HydrophobicContact CE1-CG2 3.63Å; F92-V100 HydrophobicContact CZ-CG2 3.94Å; F92-N108 WeakPolarHBondContact CD2-ND2 3.48Å; F92-F111 AromaticContact CD1-CD2 3.92Å; F92-F111 HydrophobicContact CD1-CD2 3.92Å; F92-F111 HydrophobicContact CD2-CB 4.06Å; F92-F111 HydrophobicContact CD2-CD2 4.42Å; F92-F111 AromaticContact CE1-CD2 3.59Å; F92-F111 HydrophobicContact CE1-CD2 3.59Å; F92-F111 HydrophobicContact CE1-CE2 4.18Å; F92-F111 HydrophobicContact CE2-CB 4.28Å; F92-F111 HydrophobicContact CE2-CD2 4.12Å; F92-F111 HydrophobicContact CE2-CG 4.48Å; F92-F111 HydrophobicContact CG-CB 4.26Å; F92-F111 HydrophobicContact CG-CD2 4.33Å; F92-F111 AromaticContact CZ-CD2 3.7Å; F92-F111 HydrophobicContact CZ-CD2 3.7Å; F92-F111 HydrophobicContact CZ-CE2 4.34Å; F92-F111 HydrophobicContact CZ-CG 4.46Å; F92-Q114 PolarHBondContact O-NE2 2.9Å; F92-I120 HydrophobicContact CD1-CD1 3.95Å; F92-I120 HydrophobicContact CE1-CD1 4.47Å
93	S	95.2	Very high	95.1	Very high	50 Å²	50	36.4 Å²	36.4	35%	0.35	17%	0.174	S	C	.	.	H	α-helix	trans	-60.3	-26.9	179.5	-60.5	0	0	0	0	113	G89	G89-S93 WeakPolarHBondContact O-CB 3.42Å; G89-S93 PolarHBondContact O-N 3.02Å; G89-S93 PolarHBondContact O-OG 3.33Å
94	K	96.4	Very high	94.9	Very high	105 Å²	105	37.1 Å²	37.1	46%	0.457	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	6.9	176	-66.9	-174	-177.8	-164.6	0	114.2	S67 W90 L91 F92 M96	S67-K94 WeakPolarHBondContact O-CD 3.48Å; S67-K94 WeakPolarHBondContact O-CE 3.38Å; S67-K94 PolarHBondContact O-NZ 3.36Å; W90-K94 WeakPolarHBondContact O-CB 3.45Å; W90-K94 WeakPolarHBondContact O-CG 3.32Å; W90-K94 PolarHBondContact O-N 3.21Å; L91-K94 PolarHBondContact O-N 3.04Å; F92-K94 PolarHBondContact O-N 2.9Å; F92-K94 VanDerWaalsContact O-N 3.14Å; K94-M96 HydrophobicContact CB-CG 3.82Å; K94-M96 HydrophobicContact CB-SD 3.81Å; K94-M96 HydrophobicContact CD-SD 4.18Å; K94-M96 PolarHBondContact O-N 3.14Å
95	H	96.6	Very high	94.8	Very high	100 Å²	100	33.7 Å²	33.7	46%	0.463	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.5	36.7	179.4	-55.6	-62.3	0	0	0	114.1	L91 F92 E110 Q114	L91-H95 PolarHBondContact O-N 3.16Å; F92-H95 PolarHBondContact O-N 2.85Å; H95-E110 IonicContact CE1-OE1 2.67Å; H95-Q114 PolarHBondContact CE1-NE2 3.38Å; H95-Q114 VanDerWaalsContact ND1-CD 3.3Å; H95-Q114 PolarHBondContact ND1-NE2 2.99Å; H95-Q114 PolarHBondContact ND1-OE1 3.4Å
96	M	98.1	Very high	94.1	Very high	4 Å²	4	29.1 Å²	29.1	2%	0.02	14%	0.135	C	C	.	.			trans	-88.3	-10.6	-176.4	-63.6	173.6	69.8	0	0	113.3	L66 V71 T72 D73 L74 L91 K94	L66-M96 WeakPolarHBondContact O-CE 2.93Å; V71-M96 HydrophobicContact CB-CE 4.43Å; V71-M96 HydrophobicContact CG2-CE 3.47Å; V71-M96 VanDerWaalsContact CG2-CE 3.47Å; V71-M96 WeakPolarHBondContact O-CB 3.06Å; V71-M96 WeakPolarHBondContact O-CE 3.32Å; V71-M96 VanDerWaalsContact O-CG 3.3Å; V71-M96 WeakPolarHBondContact O-CG 3.35Å; T72-M96 CarbonylContact C-O 3.2Å; D73-M96 PolarHBondContact N-O 2.95Å; D73-M96 VanDerWaalsContact N-O 3.14Å; L74-M96 WeakPolarHBondContact CB-O 3.48Å; L74-M96 HydrophobicContact CD1-CB 4.47Å; L74-M96 WeakPolarHBondContact CG-O 3.4Å; L74-M96 PolarHBondContact N-O 3.17Å; L91-M96 HydrophobicContact CD2-CE 4.14Å; L91-M96 HydrophobicContact CD2-SD 3.86Å; L91-M96 PolarHBondContact O-N 2.98Å; K94-M96 HydrophobicContact CB-CG 3.82Å; K94-M96 HydrophobicContact CB-SD 3.81Å; K94-M96 HydrophobicContact CD-SD 4.18Å; K94-M96 PolarHBondContact O-N 3.14Å
97	V	98.5	Very high	93.5	Very high	8 Å²	8	29.9 Å²	29.9	5%	0.048	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	127	-170.7	-177.9	0	0	0	0	110.3	I76 L91 F92 R99 V100	I76-V97 HydrophobicContact CB-CG1 4.4Å; I76-V97 HydrophobicContact CD1-CG2 4.35Å; I76-V97 HydrophobicContact CG1-CB 4.36Å; I76-V97 HydrophobicContact CG1-CG1 3.74Å; I76-V97 HydrophobicContact CG1-CG2 3.67Å; L91-V97 HydrophobicContact CB-CG2 3.83Å; F92-V97 HydrophobicContact CD1-CB 4.06Å; F92-V97 HydrophobicContact CD1-CG1 4.48Å; F92-V97 HydrophobicContact CD1-CG2 3.91Å; F92-V97 HydrophobicContact CE1-CB 4.05Å; F92-V97 HydrophobicContact CE1-CG1 4Å; F92-V97 HydrophobicContact CE1-CG2 3.89Å; V97-R99 WeakPolarHBondContact CG1-O 3.38Å; V97-V100 HydrophobicContact CG1-CG2 3.69Å
98	K	98.4	Very high	93.3	Very high	97 Å²	97	30 Å²	30	42%	0.422	15%	0.152	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	-43.3	172.1	170	-179.4	176	-177.8	0	111.8	D73 L74 E121	D73-K98 HydrophobicContact CB-CB 4.37Å; L74-K98 PolarHBondContact O-N 3.3Å; K98-E121 WeakPolarHBondContact CE-OE1 3.44Å; K98-E121 PolarHBondContact O-N 3.25Å
99	R	98.5	Very high	93	Very high	67 Å²	67	33.7 Å²	33.7	25%	0.253	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	142.4	-175.4	179.7	176.6	-66.7	-162.1	1.2	111.5	L74 T75 I76 V97 I101 E121 E123	L74-R99 PolarHBondContact O-N 3.08Å; L74-R99 VanDerWaalsContact O-N 3.16Å; T75-R99 CarbonylContact C-O 3.5Å; T75-R99 WeakPolarHBondContact CA-O 3.5Å; T75-R99 HydrophobicContact CG2-CB 4.06Å; T75-R99 HydrophobicContact CG2-CG 4.09Å; I76-R99 PolarHBondContact N-O 3.36Å; V97-R99 WeakPolarHBondContact CG1-O 3.38Å; R99-I101 HydrophobicContact CG-CG1 4.37Å; R99-E121 CarbonylContact C-O 3.5Å; R99-E121 WeakPolarHBondContact CA-O 3.4Å; R99-E121 HydrophobicContact CB-CB 3.94Å; R99-E121 HydrophobicContact CG-CB 3.95Å; R99-E121 IonicContact CZ-OE2 3.36Å; R99-E121 IonicContact NE-OE2 2.76Å; R99-E121 PolarHBondContact NE-OE2 3.05Å; R99-E121 IonicContact NH2-OE2 3.45Å; R99-E121 PolarHBondContact NH2-OE2 2.95Å; R99-E123 IonicContact NH1-OE2 3.87Å
100	V	98.3	Very high	92.9	Very high	2 Å²	2	34.8 Å²	34.8	1%	0.012	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	128.1	168.9	178.9	0	0	0	0	109.5	I76 F92 V97 F111 I120 E121 L122 E123	I76-V100 HydrophobicContact CB-CG2 4.36Å; I76-V100 CarbonylContact O-C 3.46Å; I76-V100 WeakPolarHBondContact O-CA 3.05Å; F92-V100 HydrophobicContact CE1-CG2 3.63Å; F92-V100 HydrophobicContact CZ-CG2 3.94Å; V97-V100 HydrophobicContact CG1-CG2 3.69Å; V100-F111 HydrophobicContact CB-CE2 3.86Å; V100-F111 HydrophobicContact CB-CZ 4.28Å; V100-F111 HydrophobicContact CG1-CE2 4.34Å; V100-F111 HydrophobicContact CG2-CD2 4.23Å; V100-F111 HydrophobicContact CG2-CE2 3.51Å; V100-F111 HydrophobicContact CG2-CZ 4.4Å; V100-I120 HydrophobicContact CG2-CG2 4.23Å; V100-E121 PolarHBondContact N-O 2.92Å; V100-L122 HydrophobicContact CG1-CD1 4.45Å; V100-L122 WeakPolarHBondContact O-CA 3.29Å; V100-E123 PolarHBondContact O-N 3.27Å
101	I	98	Very high	92.7	Very high	5 Å²	5	32.2 Å²	32.2	3%	0.026	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	108.4	167.9	-53.1	-180	0	0	0	106.3	T75 I76 V77 S78 R99 E123 I125 L192	T75-I101 HydrophobicContact CG2-CD1 4.25Å; T75-I101 HydrophobicContact CG2-CG1 4.41Å; I76-I101 PolarHBondContact O-N 2.75Å; V77-I101 WeakPolarHBondContact CA-O 3.37Å; V77-I101 HydrophobicContact CG2-CB 4.22Å; V77-I101 HydrophobicContact CG2-CD1 4.2Å; S78-I101 PolarHBondContact N-O 3.29Å; S78-I101 VanDerWaalsContact N-O 3.17Å; R99-I101 HydrophobicContact CG-CG1 4.37Å; I101-E123 WeakPolarHBondContact CA-O 3.35Å; I101-E123 HydrophobicContact CG1-CB 4.23Å; I101-I125 HydrophobicContact CG2-CD1 3.3Å; I101-I125 HydrophobicContact CG2-CG1 3.97Å; I101-L192 HydrophobicContact CD1-CD1 4.27Å; I101-L192 HydrophobicContact CG2-CD2 4.45Å
102	S	96.3	Very high	92.5	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	167.5	-172.8	-163.6	0	0	0	0	112.7	S78 S79 T80 Y104 E123 V124 I125	S78-S102 WeakPolarHBondContact O-CA 3.46Å; S78-S102 WeakPolarHBondContact O-CB 3.41Å; S78-S102 PolarHBondContact O-OG 3.31Å; S79-S102 VanDerWaalsContact C-OG 3.3Å; S79-S102 PolarHBondContact O-OG 3.08Å; T80-S102 PolarHBondContact N-OG 2.95Å; S102-Y104 PolarHBondContact OG-O 3.01Å; S102-E123 PolarHBondContact N-O 2.94Å; S102-V124 CarbonylContact O-C 3.52Å; S102-V124 VanDerWaalsContact O-CA 3.29Å; S102-V124 WeakPolarHBondContact O-CA 3.37Å; S102-I125 PolarHBondContact O-N 3.05Å
103	S	94.2	Very high	92.3	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.2	C	C	.	.	S	Bend	trans	-106.3	-32.7	176.6	-164.9	0	0	0	0	113	S79 I125 Q127 G406 I407 G408	S79-S103 PolarHBondContact O-N 2.9Å; S103-I125 WeakPolarHBondContact CA-O 3.48Å; S103-I125 WeakPolarHBondContact CB-O 3.45Å; S103-I125 PolarHBondContact OG-O 2.97Å; S103-Q127 WeakPolarHBondContact OG-CA 3.47Å; S103-Q127 WeakPolarHBondContact OG-CB 3.38Å; S103-Q127 PolarHBondContact OG-N 2.94Å; S103-G406 CarbonylContact O-C 3.48Å; S103-G406 VanDerWaalsContact O-C 3.24Å; S103-G406 WeakPolarHBondContact O-CA 3.31Å; S103-I407 PolarHBondContact O-N 2.92Å; S103-G408 PolarHBondContact O-N 3.4Å; S103-G408 VanDerWaalsContact O-N 3.16Å; S103-G408 WeakPolarHBondContact OG-CA 3.22Å; S103-G408 PolarHBondContact OG-N 2.88Å; S103-G408 VanDerWaalsContact OG-N 3.15Å; S103-G408 PolarHBondContact OG-O 2.59Å
104	Y	85.7	Confident	92.3	Very high	61 Å²	61	36.4 Å²	36.4	24%	0.239	18%	0.184	C	C	.	.	B	Isolated β-bridge	trans	-129.6	126.3	-177.7	-168.7	-94.9	0	0	0	110.6	S79 T80 C81 S102 A106 M352 K405	S79-Y104 PolarHBondContact O-N 3.33Å; S79-Y104 VanDerWaalsContact O-N 3.11Å; T80-Y104 CarbonylContact C-O 3.55Å; T80-Y104 WeakPolarHBondContact CA-O 3.04Å; T80-Y104 HydrophobicContact CG2-CD1 4.37Å; C81-Y104 PolarHBondContact N-O 2.98Å; S102-Y104 PolarHBondContact OG-O 3.01Å; Y104-A106 HydrophobicContact CD1-CB 4.49Å; Y104-A106 HydrophobicContact CE1-CB 3.68Å; Y104-M352 HydrophobicContact CD1-CE 3.7Å; Y104-M352 HydrophobicContact CE1-CE 3.76Å; Y104-K405 VanDerWaalsContact CD2-O 3.26Å; Y104-K405 WeakPolarHBondContact CD2-O 3.47Å; Y104-K405 HydrophobicContact CE2-CB 4.42Å
105	V	83.4	Confident	92.2	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.163	C	C	.	.			trans	-115.1	-22.4	-166.1	174.1	0	0	0	0	112.1	F111 V112 L122 V404 K405	V105-F111 HydrophobicContact CB-CE1 4.46Å; V105-F111 HydrophobicContact CG1-CD1 3.55Å; V105-F111 HydrophobicContact CG1-CE1 3.22Å; V105-F111 HydrophobicContact CG1-CZ 4.31Å; V105-V112 HydrophobicContact CG1-CG2 4.22Å; V105-L122 HydrophobicContact CG1-CD2 4.22Å; V105-L122 HydrophobicContact CG2-CD1 3.73Å; V105-L122 HydrophobicContact CG2-CD2 3.86Å; V105-L122 HydrophobicContact CG2-CG 4.42Å; V105-V404 HydrophobicContact CB-CG1 4.2Å; V105-V404 HydrophobicContact CG1-CG1 4.25Å; V105-V404 HydrophobicContact CG2-CG1 4.35Å; V105-K405 PolarHBondContact N-O 3.35Å
106	A	73.4	Confident	91.9	Very high	26 Å²	26	29.6 Å²	29.6	22%	0.215	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	154.5	178.4	0	0	0	0	0	112	Y104 K405	Y104-A106 HydrophobicContact CD1-CB 4.49Å; Y104-A106 HydrophobicContact CE1-CB 3.68Å; A106-K405 HydrophobicContact CB-CB 4.48Å; A106-K405 HydrophobicContact CB-CG 4.42Å; A106-K405 PolarHBondContact N-O 3.22Å
107	G	79.5	Confident	91.7	Very high	43 Å²	43	32.6 Å²	32.6	44%	0.443	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	108.5	-16.9	-179.7	0	0	0	0	0	114.6	G82	G82-G107 CarbonylContact O-C 3.57Å; G82-G107 VanDerWaalsContact O-C 3.26Å
108	N	88.5	Confident	91.6	Very high	2 Å²	2	32.7 Å²	32.7	1%	0.011	17%	0.172	C	C	.	.			trans	-126.4	91.8	-177.1	-162.1	-42.1	0	0	0	112.7	C81 G82 V83 F92 E110 F111 V112	C81-N108 PolarHBondContact O-ND2 3.12Å; G82-N108 WeakPolarHBondContact O-CB 3.26Å; V83-N108 PolarHBondContact O-ND2 2.84Å; F92-N108 WeakPolarHBondContact CD2-ND2 3.48Å; N108-E110 VanDerWaalsContact C-N 3.29Å; N108-E110 PolarHBondContact O-N 3.28Å; N108-E110 PolarHBondContact OD1-N 3.1Å; N108-F111 HydrophobicContact CB-CB 3.86Å; N108-F111 PolarHBondContact O-N 3.32Å; N108-F111 PolarHBondContact OD1-N 3.31Å; N108-V112 WeakPolarHBondContact O-CG2 3.47Å; N108-V112 PolarHBondContact O-N 3.26Å; N108-V112 VanDerWaalsContact O-N 3.11Å
109	P	89.8	Confident	91.4	Very high	82 Å²	82	33.4 Å²	33.4	53%	0.532	18%	0.175	S	C	.	.	H	α-helix	trans	-58.2	-37.5	179.1	-25.9	35.6	0	0	0	113.8	V112 R113	P109-V112 PolarHBondContact O-N 3.06Å; P109-R113 WeakPolarHBondContact O-CB 3.35Å; P109-R113 PolarHBondContact O-N 2.82Å
110	E	92.5	Very high	91.3	Very high	23 Å²	23	30.3 Å²	30.3	11%	0.107	16%	0.164	C	C	.	.	H	α-helix	trans	-66.6	-42.6	179.8	177.4	52.1	-150.7	0	0	111.9	E84 H95 N108 R113 Q114	E84-E110 HydrophobicContact CG-CB 3.95Å; H95-E110 IonicContact CE1-OE1 2.67Å; N108-E110 VanDerWaalsContact C-N 3.29Å; N108-E110 PolarHBondContact O-N 3.28Å; N108-E110 PolarHBondContact OD1-N 3.1Å; E110-R113 PolarHBondContact O-N 2.83Å; E110-R113 IonicContact OE1-CZ 3.26Å; E110-R113 IonicContact OE1-NE 3.27Å; E110-R113 IonicContact OE1-NH2 2.75Å; E110-R113 PolarHBondContact OE1-NH2 2.91Å; E110-R113 IonicContact OE2-CZ 3.51Å; E110-R113 VanDerWaalsContact OE2-CZ 3.25Å; E110-R113 IonicContact OE2-NE 3.5Å; E110-R113 PolarHBondContact OE2-NE 3.18Å; E110-R113 IonicContact OE2-NH2 3.91Å; E110-R113 PolarHBondContact OE2-NH2 3.2Å; E110-Q114 WeakPolarHBondContact O-CG 3.11Å; E110-Q114 PolarHBondContact O-N 2.92Å; E110-Q114 VanDerWaalsContact OE1-CG 3.29Å; E110-Q114 WeakPolarHBondContact OE1-CG 3.25Å; E110-Q114 PolarHBondContact OE1-NE2 3.4Å
111	F	93	Very high	91.3	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-57.5	-50.5	171.4	170.4	-88.6	0	0	0	111.1	C81 F92 V100 V105 N108 R113 Q114 Y115 I120 L122	C81-F111 HydrophobicContact CB-CD1 4.34Å; C81-F111 HydrophobicContact CB-CG 4.27Å; F92-F111 AromaticContact CD1-CD2 3.92Å; F92-F111 HydrophobicContact CD1-CD2 3.92Å; F92-F111 HydrophobicContact CD2-CB 4.06Å; F92-F111 HydrophobicContact CD2-CD2 4.42Å; F92-F111 AromaticContact CE1-CD2 3.59Å; F92-F111 HydrophobicContact CE1-CD2 3.59Å; F92-F111 HydrophobicContact CE1-CE2 4.18Å; F92-F111 HydrophobicContact CE2-CB 4.28Å; F92-F111 HydrophobicContact CE2-CD2 4.12Å; F92-F111 HydrophobicContact CE2-CG 4.48Å; F92-F111 HydrophobicContact CG-CB 4.26Å; F92-F111 HydrophobicContact CG-CD2 4.33Å; F92-F111 AromaticContact CZ-CD2 3.7Å; F92-F111 HydrophobicContact CZ-CD2 3.7Å; F92-F111 HydrophobicContact CZ-CE2 4.34Å; F92-F111 HydrophobicContact CZ-CG 4.46Å; V100-F111 HydrophobicContact CB-CE2 3.86Å; V100-F111 HydrophobicContact CB-CZ 4.28Å; V100-F111 HydrophobicContact CG1-CE2 4.34Å; V100-F111 HydrophobicContact CG2-CD2 4.23Å; V100-F111 HydrophobicContact CG2-CE2 3.51Å; V100-F111 HydrophobicContact CG2-CZ 4.4Å; V105-F111 HydrophobicContact CB-CE1 4.46Å; V105-F111 HydrophobicContact CG1-CD1 3.55Å; V105-F111 HydrophobicContact CG1-CE1 3.22Å; V105-F111 HydrophobicContact CG1-CZ 4.31Å; N108-F111 HydrophobicContact CB-CB 3.86Å; N108-F111 PolarHBondContact O-N 3.32Å; N108-F111 PolarHBondContact OD1-N 3.31Å; F111-R113 VanDerWaalsContact C-N 3.29Å; F111-R113 PolarHBondContact O-N 2.82Å; F111-Q114 PolarHBondContact O-N 2.54Å; F111-Y115 PolarHBondContact O-N 3.14Å; F111-I120 HydrophobicContact CD2-CD1 4.23Å; F111-I120 HydrophobicContact CD2-CG2 4.46Å; F111-I120 HydrophobicContact CE2-CD1 4.47Å; F111-I120 HydrophobicContact CE2-CG2 3.72Å; F111-I120 HydrophobicContact CZ-CG2 4.37Å; F111-L122 HydrophobicContact CE1-CD1 4.46Å; F111-L122 HydrophobicContact CE1-CD2 4.14Å; F111-L122 HydrophobicContact CZ-CB 4.14Å; F111-L122 HydrophobicContact CZ-CD1 3.91Å; F111-L122 HydrophobicContact CZ-CD2 4.19Å; F111-L122 HydrophobicContact CZ-CG 4.27Å
112	V	91.8	Very high	91.2	Very high	38 Å²	38	30.7 Å²	30.7	23%	0.23	17%	0.165	C	C	.	.	H	α-helix	trans	-60.1	-42.2	-177.7	172	0	0	0	0	110.8	V105 N108 P109 Y115 F116	V105-V112 HydrophobicContact CG1-CG2 4.22Å; N108-V112 WeakPolarHBondContact O-CG2 3.47Å; N108-V112 PolarHBondContact O-N 3.26Å; N108-V112 VanDerWaalsContact O-N 3.11Å; P109-V112 PolarHBondContact O-N 3.06Å; V112-Y115 PolarHBondContact O-N 2.79Å; V112-F116 HydrophobicContact CG1-CD2 3.68Å; V112-F116 HydrophobicContact CG1-CE2 3.55Å; V112-F116 VanDerWaalsContact O-CD2 3.24Å; V112-F116 WeakPolarHBondContact O-CD2 3.32Å; V112-F116 PolarHBondContact O-N 3.29Å; V112-F116 VanDerWaalsContact O-N 3.09Å
113	R	92.4	Very high	91.2	Very high	98 Å²	98	33.2 Å²	33.2	37%	0.37	18%	0.177	S	C	.	.	H	α-helix	trans	-61.2	-49.6	175.2	-172.9	-171.8	66.5	81.5	-10.9	111.6	P109 E110 F111 Y115 F116 D117	P109-R113 WeakPolarHBondContact O-CB 3.35Å; P109-R113 PolarHBondContact O-N 2.82Å; E110-R113 PolarHBondContact O-N 2.83Å; E110-R113 IonicContact OE1-CZ 3.26Å; E110-R113 IonicContact OE1-NE 3.27Å; E110-R113 IonicContact OE1-NH2 2.75Å; E110-R113 PolarHBondContact OE1-NH2 2.91Å; E110-R113 IonicContact OE2-CZ 3.51Å; E110-R113 VanDerWaalsContact OE2-CZ 3.25Å; E110-R113 IonicContact OE2-NE 3.5Å; E110-R113 PolarHBondContact OE2-NE 3.18Å; E110-R113 IonicContact OE2-NH2 3.91Å; E110-R113 PolarHBondContact OE2-NH2 3.2Å; F111-R113 VanDerWaalsContact C-N 3.29Å; F111-R113 PolarHBondContact O-N 2.82Å; R113-Y115 VanDerWaalsContact C-N 3.28Å; R113-Y115 PolarHBondContact O-N 3.39Å; R113-F116 PolarHBondContact O-N 2.9Å; R113-D117 IonicContact CZ-OD2 2.87Å; R113-D117 IonicContact NH1-OD2 2.62Å; R113-D117 PolarHBondContact NH1-OD2 2.75Å; R113-D117 WeakPolarHBondContact O-CB 3.34Å; R113-D117 VanDerWaalsContact O-CG 3.22Å; R113-D117 PolarHBondContact O-N 2.83Å
114	Q	94.5	Very high	91.2	Very high	3 Å²	3	33.6 Å²	33.6	1%	0.014	18%	0.179	C	C	.	.	H	α-helix	trans	-61.4	-36.2	179	-73.7	-172.6	56.8	0	0	113	F92 H95 E110 F111 G118 K119 I120	F92-Q114 PolarHBondContact O-NE2 2.9Å; H95-Q114 PolarHBondContact CE1-NE2 3.38Å; H95-Q114 VanDerWaalsContact ND1-CD 3.3Å; H95-Q114 PolarHBondContact ND1-NE2 2.99Å; H95-Q114 PolarHBondContact ND1-OE1 3.4Å; E110-Q114 WeakPolarHBondContact O-CG 3.11Å; E110-Q114 PolarHBondContact O-N 2.92Å; E110-Q114 VanDerWaalsContact OE1-CG 3.29Å; E110-Q114 WeakPolarHBondContact OE1-CG 3.25Å; E110-Q114 PolarHBondContact OE1-NE2 3.4Å; F111-Q114 PolarHBondContact O-N 2.54Å; Q114-G118 PolarHBondContact O-N 3.5Å; Q114-K119 HydrophobicContact CB-CB 4.21Å; Q114-K119 HydrophobicContact CG-CD 4.4Å; Q114-K119 WeakPolarHBondContact O-CB 3.39Å; Q114-K119 PolarHBondContact O-N 3.03Å; Q114-I120 HydrophobicContact CB-CB 4.43Å; Q114-I120 HydrophobicContact CB-CD1 3.77Å; Q114-I120 HydrophobicContact CB-CG1 3.93Å; Q114-I120 HydrophobicContact CG-CD1 4.42Å; Q114-I120 PolarHBondContact O-N 2.92Å
115	Y	94	Very high	91.7	Very high	2 Å²	2	30.9 Å²	30.9	1%	0.008	17%	0.169	C	C	.	.	H	α-helix	trans	-64.3	-48.5	175	169.6	-118.5	0	0	0	111.8	F111 V112 R113 D117 G118 L122 P160 I161 Y163 V404	F111-Y115 PolarHBondContact O-N 3.14Å; V112-Y115 PolarHBondContact O-N 2.79Å; R113-Y115 VanDerWaalsContact C-N 3.28Å; R113-Y115 PolarHBondContact O-N 3.39Å; Y115-D117 VanDerWaalsContact C-N 3.33Å; Y115-D117 PolarHBondContact O-N 3.42Å; Y115-G118 PolarHBondContact O-N 2.96Å; Y115-L122 HydrophobicContact CD1-CD2 4.17Å; Y115-L122 HydrophobicContact CD2-CB 3.58Å; Y115-L122 HydrophobicContact CD2-CD2 4.43Å; Y115-L122 HydrophobicContact CE1-CD2 3.99Å; Y115-L122 HydrophobicContact CE2-CB 3.54Å; Y115-L122 HydrophobicContact CE2-CD2 4.31Å; Y115-L122 HydrophobicContact CE2-CG 4.49Å; Y115-L122 HydrophobicContact CG-CB 4.2Å; Y115-L122 HydrophobicContact CG-CD2 4.36Å; Y115-P160 PolarHBondContact OH-O 2.87Å; Y115-I161 WeakPolarHBondContact CE2-O 3.45Å; Y115-Y163 HydrophobicContact CD1-CE2 4.39Å; Y115-Y163 HydrophobicContact CE1-CD2 4.28Å; Y115-Y163 AromaticContact CE1-CE2 3.66Å; Y115-Y163 HydrophobicContact CE1-CE2 3.66Å; Y115-Y163 HydrophobicContact CE2-CD2 4.07Å; Y115-Y163 HydrophobicContact CE2-CE2 4.01Å; Y115-Y163 AromaticContact CZ-CD2 3.97Å; Y115-Y163 AromaticContact CZ-CE2 3.44Å; Y115-Y163 VanDerWaalsContact CZ-CE2 3.44Å; Y115-Y163 WeakPolarHBondContact OH-CE2 3.4Å; Y115-V404 HydrophobicContact CE1-CG2 4.29Å
116	F	92.2	Very high	92.4	Very high	60 Å²	60	30.9 Å²	30.9	26%	0.263	17%	0.169	S	C	.	.	H	α-helix	trans	-70.2	-27.5	177.8	-73.1	-57	0	0	0	113.7	V112 R113 G118 Y163 V404	V112-F116 HydrophobicContact CG1-CD2 3.68Å; V112-F116 HydrophobicContact CG1-CE2 3.55Å; V112-F116 VanDerWaalsContact O-CD2 3.24Å; V112-F116 WeakPolarHBondContact O-CD2 3.32Å; V112-F116 PolarHBondContact O-N 3.29Å; V112-F116 VanDerWaalsContact O-N 3.09Å; R113-F116 PolarHBondContact O-N 2.9Å; F116-G118 PolarHBondContact O-N 3.2Å; F116-Y163 HydrophobicContact CD1-CD2 4.12Å; F116-Y163 AromaticContact CD1-CE2 3.78Å; F116-Y163 HydrophobicContact CD1-CE2 3.78Å; F116-Y163 AromaticContact CE1-CE2 3.93Å; F116-Y163 HydrophobicContact CE1-CE2 3.93Å; F116-V404 HydrophobicContact CZ-CG2 3.86Å
117	D	93.6	Very high	93.6	Very high	67 Å²	67	30.1 Å²	30.1	36%	0.358	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-5.1	170.9	-71.7	-7.7	0	0	0	112.7	R113 Y115 K119	R113-D117 IonicContact CZ-OD2 2.87Å; R113-D117 IonicContact NH1-OD2 2.62Å; R113-D117 PolarHBondContact NH1-OD2 2.75Å; R113-D117 WeakPolarHBondContact O-CB 3.34Å; R113-D117 VanDerWaalsContact O-CG 3.22Å; R113-D117 PolarHBondContact O-N 2.83Å; Y115-D117 VanDerWaalsContact C-N 3.33Å; Y115-D117 PolarHBondContact O-N 3.42Å; D117-K119 VanDerWaalsContact C-N 3.35Å; D117-K119 HydrophobicContact CB-CD 4.26Å; D117-K119 HydrophobicContact CB-CG 4.15Å; D117-K119 IonicContact OD2-NZ 2.78Å
118	G	95	Very high	94.4	Very high	11 Å²	11	28.1 Å²	28.1	11%	0.113	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.2	16.5	180	0	0	0	0	0	115.1	Q114 Y115 F116 K162 Y163	Q114-G118 PolarHBondContact O-N 3.5Å; Y115-G118 PolarHBondContact O-N 2.96Å; F116-G118 PolarHBondContact O-N 3.2Å; G118-K162 WeakPolarHBondContact O-CE 3.2Å; G118-Y163 WeakPolarHBondContact CA-O 3.47Å
119	K	95.8	Very high	94.9	Very high	112 Å²	112	28 Å²	28	49%	0.487	14%	0.139	S	C	.	.	S	Bend	trans	-88	-28.6	-177.9	-62.9	178.6	179.6	171.7	0	113.3	Q114 D117	Q114-K119 HydrophobicContact CB-CB 4.21Å; Q114-K119 HydrophobicContact CG-CD 4.4Å; Q114-K119 WeakPolarHBondContact O-CB 3.39Å; Q114-K119 PolarHBondContact O-N 3.03Å; D117-K119 VanDerWaalsContact C-N 3.35Å; D117-K119 HydrophobicContact CB-CD 4.26Å; D117-K119 HydrophobicContact CB-CG 4.15Å; D117-K119 IonicContact OD2-NZ 2.78Å
120	I	96.2	Very high	95.4	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.005	11%	0.114	C	C	.	.	S	Bend	trans	-120.9	141	179.9	-67.8	-178.6	0	0	0	110.2	F92 V100 F111 Q114	F92-I120 HydrophobicContact CD1-CD1 3.95Å; F92-I120 HydrophobicContact CE1-CD1 4.47Å; V100-I120 HydrophobicContact CG2-CG2 4.23Å; F111-I120 HydrophobicContact CD2-CD1 4.23Å; F111-I120 HydrophobicContact CD2-CG2 4.46Å; F111-I120 HydrophobicContact CE2-CD1 4.47Å; F111-I120 HydrophobicContact CE2-CG2 3.72Å; F111-I120 HydrophobicContact CZ-CG2 4.37Å; Q114-I120 HydrophobicContact CB-CB 4.43Å; Q114-I120 HydrophobicContact CB-CD1 3.77Å; Q114-I120 HydrophobicContact CB-CG1 3.93Å; Q114-I120 HydrophobicContact CG-CD1 4.42Å; Q114-I120 PolarHBondContact O-N 2.92Å
121	E	97.7	Very high	95.6	Very high	15 Å²	15	23 Å²	23	7%	0.07	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	129.9	169.5	-62	166.6	-169.4	0	0	109.8	K98 R99 V100 I161 K162 I171	K98-E121 WeakPolarHBondContact CE-OE1 3.44Å; K98-E121 PolarHBondContact O-N 3.25Å; R99-E121 CarbonylContact C-O 3.5Å; R99-E121 WeakPolarHBondContact CA-O 3.4Å; R99-E121 HydrophobicContact CB-CB 3.94Å; R99-E121 HydrophobicContact CG-CB 3.95Å; R99-E121 IonicContact CZ-OE2 3.36Å; R99-E121 IonicContact NE-OE2 2.76Å; R99-E121 PolarHBondContact NE-OE2 3.05Å; R99-E121 IonicContact NH2-OE2 3.45Å; R99-E121 PolarHBondContact NH2-OE2 2.95Å; V100-E121 PolarHBondContact N-O 2.92Å; E121-I161 CarbonylContact C-O 3.59Å; E121-I161 VanDerWaalsContact CA-O 3.3Å; E121-I161 WeakPolarHBondContact CA-O 3.17Å; E121-I161 HydrophobicContact CB-CG2 3.99Å; E121-K162 HydrophobicContact CG-CB 4.03Å; E121-K162 HydrophobicContact CG-CD 3.77Å; E121-K162 HydrophobicContact CG-CG 4.05Å; E121-I171 HydrophobicContact CG-CD1 4.21Å
122	L	96.1	Very high	95.9	Very high	0 Å²	0	24 Å²	24	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	108	176.8	172.9	60.3	0	0	0	110.9	V100 V105 F111 Y115 V124 W159 I161 V404	V100-L122 HydrophobicContact CG1-CD1 4.45Å; V100-L122 WeakPolarHBondContact O-CA 3.29Å; V105-L122 HydrophobicContact CG1-CD2 4.22Å; V105-L122 HydrophobicContact CG2-CD1 3.73Å; V105-L122 HydrophobicContact CG2-CD2 3.86Å; V105-L122 HydrophobicContact CG2-CG 4.42Å; F111-L122 HydrophobicContact CE1-CD1 4.46Å; F111-L122 HydrophobicContact CE1-CD2 4.14Å; F111-L122 HydrophobicContact CZ-CB 4.14Å; F111-L122 HydrophobicContact CZ-CD1 3.91Å; F111-L122 HydrophobicContact CZ-CD2 4.19Å; F111-L122 HydrophobicContact CZ-CG 4.27Å; Y115-L122 HydrophobicContact CD1-CD2 4.17Å; Y115-L122 HydrophobicContact CD2-CB 3.58Å; Y115-L122 HydrophobicContact CD2-CD2 4.43Å; Y115-L122 HydrophobicContact CE1-CD2 3.99Å; Y115-L122 HydrophobicContact CE2-CB 3.54Å; Y115-L122 HydrophobicContact CE2-CD2 4.31Å; Y115-L122 HydrophobicContact CE2-CG 4.49Å; Y115-L122 HydrophobicContact CG-CB 4.2Å; Y115-L122 HydrophobicContact CG-CD2 4.36Å; L122-V124 HydrophobicContact CD1-CG2 4.03Å; L122-V124 HydrophobicContact CD2-CG2 3.92Å; L122-V124 HydrophobicContact CG-CG2 3.75Å; L122-W159 PolarHBondContact O-NE1 2.9Å; L122-I161 PolarHBondContact N-O 3.29Å; L122-I161 WeakPolarHBondContact O-CA 3.34Å; L122-V404 HydrophobicContact CD2-CG1 3.99Å
123	E	96.2	Very high	96.2	Very high	53 Å²	53	23 Å²	23	25%	0.248	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	114.6	167.6	-171	176.2	161	0	0	108.9	R99 V100 I101 S102 I125	R99-E123 IonicContact NH1-OE2 3.87Å; V100-E123 PolarHBondContact O-N 3.27Å; I101-E123 WeakPolarHBondContact CA-O 3.35Å; I101-E123 HydrophobicContact CG1-CB 4.23Å; S102-E123 PolarHBondContact N-O 2.94Å; E123-I125 HydrophobicContact CG-CD1 4.44Å; E123-I125 HydrophobicContact CG-CG1 4.24Å
124	V	94.4	Very high	96.5	Very high	8 Å²	8	18.3 Å²	18.3	5%	0.048	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	127.1	178.6	-169.3	0	0	0	0	109.5	S102 L122 I154 W159 W397 I407	S102-V124 CarbonylContact O-C 3.52Å; S102-V124 VanDerWaalsContact O-CA 3.29Å; S102-V124 WeakPolarHBondContact O-CA 3.37Å; L122-V124 HydrophobicContact CD1-CG2 4.03Å; L122-V124 HydrophobicContact CD2-CG2 3.92Å; L122-V124 HydrophobicContact CG-CG2 3.75Å; V124-I154 WeakPolarHBondContact O-CD1 3.34Å; V124-W159 HydrophobicContact CG2-CZ2 3.66Å; V124-W397 HydrophobicContact CG1-CZ3 4.31Å; V124-I407 HydrophobicContact CB-CD1 4.39Å; V124-I407 HydrophobicContact CG1-CB 4.35Å; V124-I407 HydrophobicContact CG1-CD1 3.61Å; V124-I407 HydrophobicContact CG1-CG1 3.69Å
125	I	96.4	Very high	96.7	Very high	4 Å²	4	22.2 Å²	22.2	2%	0.021	10%	0.103	C	C	.	.			trans	-127.4	141.2	-179.7	-54.3	-173	0	0	0	109	I101 S102 S103 E123 Q127 T129 L130 K133	I101-I125 HydrophobicContact CG2-CD1 3.3Å; I101-I125 HydrophobicContact CG2-CG1 3.97Å; S102-I125 PolarHBondContact O-N 3.05Å; S103-I125 WeakPolarHBondContact CA-O 3.48Å; S103-I125 WeakPolarHBondContact CB-O 3.45Å; S103-I125 PolarHBondContact OG-O 2.97Å; E123-I125 HydrophobicContact CG-CD1 4.44Å; E123-I125 HydrophobicContact CG-CG1 4.24Å; I125-Q127 PolarHBondContact O-N 3.11Å; I125-T129 HydrophobicContact CG2-CG2 3.72Å; I125-L130 HydrophobicContact CG2-CB 4.28Å; I125-K133 HydrophobicContact CD1-CD 4.22Å
126	P	97.9	Very high	97	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	10%	0.103	C	C	.	.			trans	-51.8	139.3	168	-25.9	34.8	0	0	0	111.8	G128 T129 L130 T148 I154 I407 M411 D412	P126-G128 VanDerWaalsContact C-N 3.33Å; P126-G128 PolarHBondContact O-N 2.92Å; P126-T129 WeakPolarHBondContact O-CB 3.45Å; P126-T129 PolarHBondContact O-N 2.77Å; P126-L130 PolarHBondContact O-N 2.73Å; P126-T148 HydrophobicContact CB-CG2 3.51Å; P126-T148 HydrophobicContact CG-CG2 3.83Å; P126-I154 HydrophobicContact CG-CG1 4.28Å; P126-I407 HydrophobicContact CB-CG2 4.18Å; P126-I407 HydrophobicContact CG-CD1 4.27Å; P126-I407 HydrophobicContact CG-CG2 4.27Å; P126-M411 HydrophobicContact CB-CB 4.04Å; P126-M411 HydrophobicContact CG-CB 4.04Å; P126-M411 HydrophobicContact CG-CG 4.48Å; P126-M411 HydrophobicContact CG-SD 3.7Å; P126-D412 WeakPolarHBondContact CB-OD2 3.49Å
127	Q	97.5	Very high	97.3	Very high	11 Å²	11	19.7 Å²	19.7	5%	0.051	10%	0.095	C	C	.	.	H	α-helix	trans	-64.2	-39.5	-169.1	-170.6	176	19.4	0	0	112.3	L53 S79 S103 I125 L130 A131 F219 F370 G408 D412	L53-Q127 VanDerWaalsContact CD1-NE2 3.26Å; S79-Q127 PolarHBondContact OG-NE2 3.26Å; S103-Q127 WeakPolarHBondContact OG-CA 3.47Å; S103-Q127 WeakPolarHBondContact OG-CB 3.38Å; S103-Q127 PolarHBondContact OG-N 2.94Å; I125-Q127 PolarHBondContact O-N 3.11Å; Q127-L130 WeakPolarHBondContact O-CB 3.16Å; Q127-L130 PolarHBondContact O-N 3.27Å; Q127-A131 PolarHBondContact O-N 2.97Å; Q127-F219 HydrophobicContact CG-CE2 3.95Å; Q127-F219 HydrophobicContact CG-CZ 3.68Å; Q127-F370 HydrophobicContact CB-CE1 4.4Å; Q127-F370 HydrophobicContact CB-CE2 4.1Å; Q127-F370 HydrophobicContact CB-CZ 3.71Å; Q127-F370 HydrophobicContact CG-CE2 3.69Å; Q127-F370 HydrophobicContact CG-CZ 3.71Å; Q127-G408 VanDerWaalsContact CB-C 3.44Å; Q127-G408 WeakPolarHBondContact CB-O 3.38Å; Q127-G408 PolarHBondContact N-O 2.89Å; Q127-D412 PolarHBondContact N-OD2 3.5Å
128	G	98.1	Very high	97.5	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-73.2	-34.6	176.2	0	0	0	0	0	112.7	P126 L130 A131 E132 F370 R374 D412	P126-G128 VanDerWaalsContact C-N 3.33Å; P126-G128 PolarHBondContact O-N 2.92Å; G128-L130 VanDerWaalsContact C-N 3.32Å; G128-A131 PolarHBondContact O-N 3.06Å; G128-E132 WeakPolarHBondContact O-CB 3.49Å; G128-E132 PolarHBondContact O-N 3.07Å; G128-F370 VanDerWaalsContact CA-CB 3.49Å; G128-F370 VanDerWaalsContact CA-CD1 3.43Å; G128-F370 VanDerWaalsContact CA-CD2 3.43Å; G128-R374 PolarHBondContact O-NH1 3.06Å; G128-D412 VanDerWaalsContact CA-CG 3.47Å; G128-D412 WeakPolarHBondContact CA-OD1 3.45Å; G128-D412 WeakPolarHBondContact CA-OD2 3.46Å; G128-D412 PolarHBondContact N-OD2 2.82Å
129	T	98.6	Very high	97.7	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-60.6	-42.7	169.4	-64.5	0	0	0	0	111	I125 P126 A131 E132 K133 F144 T148 E189 D412	I125-T129 HydrophobicContact CG2-CG2 3.72Å; P126-T129 WeakPolarHBondContact O-CB 3.45Å; P126-T129 PolarHBondContact O-N 2.77Å; T129-A131 VanDerWaalsContact C-N 3.34Å; T129-A131 PolarHBondContact O-N 3.01Å; T129-E132 PolarHBondContact O-N 2.71Å; T129-K133 HydrophobicContact CG2-CD 4.37Å; T129-K133 HydrophobicContact CG2-CG 4.3Å; T129-K133 WeakPolarHBondContact O-CB 3.15Å; T129-K133 VanDerWaalsContact O-CG 3.27Å; T129-K133 WeakPolarHBondContact O-CG 3.46Å; T129-K133 PolarHBondContact O-N 2.71Å; T129-F144 HydrophobicContact CG2-CZ 4.44Å; T129-T148 WeakPolarHBondContact OG1-CG2 3.37Å; T129-E189 HydrophobicContact CG2-CB 4.49Å; T129-E189 HydrophobicContact CG2-CG 3.78Å; T129-E189 WeakPolarHBondContact CG2-OE1 3.45Å; T129-D412 PolarHBondContact N-OD1 2.94Å
130	L	98.6	Very high	97.8	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-58.8	-46.1	174.4	175.6	62.1	0	0	0	111.3	V77 I125 P126 Q127 G128 E132 K133 L134 L192 F219	V77-L130 HydrophobicContact CG1-CD1 3.73Å; I125-L130 HydrophobicContact CG2-CB 4.28Å; P126-L130 PolarHBondContact O-N 2.73Å; Q127-L130 WeakPolarHBondContact O-CB 3.16Å; Q127-L130 PolarHBondContact O-N 3.27Å; G128-L130 VanDerWaalsContact C-N 3.32Å; L130-E132 VanDerWaalsContact C-N 3.33Å; L130-E132 PolarHBondContact O-N 2.71Å; L130-K133 PolarHBondContact O-N 3.31Å; L130-L134 HydrophobicContact CD1-CD1 4.17Å; L130-L134 HydrophobicContact CD1-CG 4.43Å; L130-L134 HydrophobicContact CG-CD1 4.16Å; L130-L134 WeakPolarHBondContact O-CD1 3.46Å; L130-L134 VanDerWaalsContact O-CG 3.29Å; L130-L134 WeakPolarHBondContact O-CG 3.44Å; L130-L134 PolarHBondContact O-N 2.88Å; L130-L134 VanDerWaalsContact O-N 3.13Å; L130-L192 HydrophobicContact CD1-CD2 3.71Å; L130-F219 HydrophobicContact CD2-CE1 4.18Å; L130-F219 HydrophobicContact CD2-CZ 4.49Å; L130-F219 HydrophobicContact CG-CE1 4.07Å
131	A	98.6	Very high	97.9	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-60.1	-43.5	177.2	0	0	0	0	0	111.9	Q127 G128 T129 L134 R135 F219 D367 F370	Q127-A131 PolarHBondContact O-N 2.97Å; G128-A131 PolarHBondContact O-N 3.06Å; T129-A131 VanDerWaalsContact C-N 3.34Å; T129-A131 PolarHBondContact O-N 3.01Å; A131-L134 PolarHBondContact O-N 3.12Å; A131-R135 WeakPolarHBondContact O-CB 3.49Å; A131-R135 PolarHBondContact O-N 3.16Å; A131-F219 HydrophobicContact CB-CE1 3.69Å; A131-F219 HydrophobicContact CB-CZ 4.13Å; A131-D367 HydrophobicContact CB-CB 4.38Å; A131-F370 HydrophobicContact CB-CD2 4.42Å
132	E	98.6	Very high	97.9	Very high	20 Å²	20	24.4 Å²	24.4	9%	0.093	16%	0.164	C	C	.	.	H	α-helix	trans	-69.3	-38.4	179.9	-169.9	57.7	-150.4	0	0	112.5	G128 T129 L130 L134 R135 A136 F144 R374	G128-E132 WeakPolarHBondContact O-CB 3.49Å; G128-E132 PolarHBondContact O-N 3.07Å; T129-E132 PolarHBondContact O-N 2.71Å; L130-E132 VanDerWaalsContact C-N 3.33Å; L130-E132 PolarHBondContact O-N 2.71Å; E132-L134 VanDerWaalsContact C-N 3.31Å; E132-L134 PolarHBondContact O-N 3Å; E132-R135 VanDerWaalsContact CD-NE 3.35Å; E132-R135 PolarHBondContact O-N 2.75Å; E132-R135 IonicContact OE1-CZ 3.1Å; E132-R135 IonicContact OE1-NE 2.67Å; E132-R135 PolarHBondContact OE1-NE 2.65Å; E132-R135 IonicContact OE1-NH2 2.69Å; E132-R135 PolarHBondContact OE1-NH2 2.82Å; E132-R135 IonicContact OE2-NE 2.8Å; E132-R135 PolarHBondContact OE2-NE 3.17Å; E132-A136 VanDerWaalsContact O-CB 3.29Å; E132-A136 WeakPolarHBondContact O-CB 3.34Å; E132-A136 PolarHBondContact O-N 2.94Å; E132-F144 HydrophobicContact CB-CE1 4.21Å; E132-F144 HydrophobicContact CB-CE2 3.85Å; E132-F144 HydrophobicContact CB-CZ 3.59Å; E132-F144 HydrophobicContact CG-CD1 4.11Å; E132-F144 HydrophobicContact CG-CD2 3.7Å; E132-F144 HydrophobicContact CG-CE1 3.8Å; E132-F144 HydrophobicContact CG-CE2 3.34Å; E132-F144 HydrophobicContact CG-CG 4.07Å; E132-F144 HydrophobicContact CG-CZ 3.4Å; E132-R374 IonicContact OE2-NH2 3.27Å; E132-R374 PolarHBondContact OE2-NH2 3.09Å
133	K	98.8	Very high	98.1	Very high	17 Å²	17	25.9 Å²	25.9	7%	0.074	18%	0.176	C	C	.	.	H	α-helix	trans	-58.2	-43.5	172.6	-74.4	-176.7	170.2	-77.4	0	112.2	I125 T129 L130 G137 F144 E189 H190 L192	I125-K133 HydrophobicContact CD1-CD 4.22Å; T129-K133 HydrophobicContact CG2-CD 4.37Å; T129-K133 HydrophobicContact CG2-CG 4.3Å; T129-K133 WeakPolarHBondContact O-CB 3.15Å; T129-K133 VanDerWaalsContact O-CG 3.27Å; T129-K133 WeakPolarHBondContact O-CG 3.46Å; T129-K133 PolarHBondContact O-N 2.71Å; L130-K133 PolarHBondContact O-N 3.31Å; K133-G137 PolarHBondContact O-N 2.93Å; K133-F144 HydrophobicContact CB-CE1 4.42Å; K133-F144 HydrophobicContact CG-CE1 3.89Å; K133-F144 HydrophobicContact CG-CZ 3.96Å; K133-E189 WeakPolarHBondContact CE-OE2 3.15Å; K133-E189 IonicContact NZ-OE2 3.1Å; K133-E189 PolarHBondContact NZ-OE2 3Å; K133-H190 VanDerWaalsContact CG-O 3.29Å; K133-H190 WeakPolarHBondContact CG-O 3.36Å; K133-H190 PolarHBondContact NZ-O 2.84Å; K133-L192 HydrophobicContact CB-CB 3.71Å; K133-L192 HydrophobicContact CD-CB 4.4Å; K133-L192 PolarHBondContact O-N 3.15Å
134	L	98.8	Very high	98.2	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-67.6	-45.4	177.6	-67.3	164	0	0	0	110.9	L49 V77 L130 A131 E132 A136 G137 G138 L192 F219 M223 A226	L49-L134 HydrophobicContact CD1-CD2 3.85Å; L49-L134 HydrophobicContact CD2-CD2 4.23Å; V77-L134 HydrophobicContact CG1-CD2 4.49Å; L130-L134 HydrophobicContact CD1-CD1 4.17Å; L130-L134 HydrophobicContact CD1-CG 4.43Å; L130-L134 HydrophobicContact CG-CD1 4.16Å; L130-L134 WeakPolarHBondContact O-CD1 3.46Å; L130-L134 VanDerWaalsContact O-CG 3.29Å; L130-L134 WeakPolarHBondContact O-CG 3.44Å; L130-L134 PolarHBondContact O-N 2.88Å; L130-L134 VanDerWaalsContact O-N 3.13Å; A131-L134 PolarHBondContact O-N 3.12Å; E132-L134 VanDerWaalsContact C-N 3.31Å; E132-L134 PolarHBondContact O-N 3Å; L134-A136 PolarHBondContact O-N 2.89Å; L134-G137 PolarHBondContact O-N 2.85Å; L134-G138 PolarHBondContact O-N 3.45Å; L134-L192 HydrophobicContact CD2-CB 4.46Å; L134-L192 HydrophobicContact CD2-CD2 4.23Å; L134-L192 HydrophobicContact CD2-CG 4.29Å; L134-F219 HydrophobicContact CD1-CD1 3.86Å; L134-F219 HydrophobicContact CD1-CE1 4.24Å; L134-M223 HydrophobicContact CD1-CE 3.74Å; L134-M223 HydrophobicContact CD1-CG 3.68Å; L134-M223 HydrophobicContact CD2-CG 4.18Å; L134-A226 HydrophobicContact CB-CB 4.26Å; L134-A226 HydrophobicContact CD2-CB 3.95Å; L134-A226 WeakPolarHBondContact O-CB 3.29Å
135	R	98.6	Very high	98.3	Very high	86 Å²	86	27.6 Å²	27.6	33%	0.325	18%	0.181	S	C	.	.	H	α-helix	trans	-57.5	-47.6	175.7	-167.3	-158.9	70.5	76	2.9	111.6	A131 E132 G137 G138 A139 D367	A131-R135 WeakPolarHBondContact O-CB 3.49Å; A131-R135 PolarHBondContact O-N 3.16Å; E132-R135 VanDerWaalsContact CD-NE 3.35Å; E132-R135 PolarHBondContact O-N 2.75Å; E132-R135 IonicContact OE1-CZ 3.1Å; E132-R135 IonicContact OE1-NE 2.67Å; E132-R135 PolarHBondContact OE1-NE 2.65Å; E132-R135 IonicContact OE1-NH2 2.69Å; E132-R135 PolarHBondContact OE1-NH2 2.82Å; E132-R135 IonicContact OE2-NE 2.8Å; E132-R135 PolarHBondContact OE2-NE 3.17Å; R135-G137 VanDerWaalsContact C-N 3.35Å; R135-G137 PolarHBondContact O-N 3.35Å; R135-G138 PolarHBondContact O-N 2.84Å; R135-A139 WeakPolarHBondContact O-CB 3.4Å; R135-A139 PolarHBondContact O-N 3.43Å; R135-D367 HydrophobicContact CB-CB 4.07Å; R135-D367 HydrophobicContact CG-CB 4.21Å
136	A	98.8	Very high	98.4	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-60.8	-43.3	176.7	0	0	0	0	0	111.7	E132 L134 A139 G140 I141 F144 A191	E132-A136 VanDerWaalsContact O-CB 3.29Å; E132-A136 WeakPolarHBondContact O-CB 3.34Å; E132-A136 PolarHBondContact O-N 2.94Å; L134-A136 PolarHBondContact O-N 2.89Å; A136-A139 CarbonylContact O-C 3.46Å; A136-A139 PolarHBondContact O-N 2.94Å; A136-G140 PolarHBondContact O-N 2.84Å; A136-G140 VanDerWaalsContact O-N 3.11Å; A136-I141 HydrophobicContact CB-CB 4.03Å; A136-I141 HydrophobicContact CB-CG2 4.23Å; A136-I141 PolarHBondContact O-N 2.86Å; A136-F144 HydrophobicContact CB-CD1 4.07Å; A136-F144 HydrophobicContact CB-CE1 4.38Å; A136-A191 HydrophobicContact CB-CB 3.86Å
137	G	98.7	Very high	98.3	Very high	9 Å²	9	29.9 Å²	29.9	9%	0.093	19%	0.192	C	C	.	.	H	α-helix	trans	-57.9	-51.7	175.9	0	0	0	0	0	112.5	K133 L134 R135 A139 G140 N193	K133-G137 PolarHBondContact O-N 2.93Å; L134-G137 PolarHBondContact O-N 2.85Å; R135-G137 VanDerWaalsContact C-N 3.35Å; R135-G137 PolarHBondContact O-N 3.35Å; G137-A139 PolarHBondContact O-N 2.97Å; G137-G140 PolarHBondContact O-N 2.77Å; G137-G140 VanDerWaalsContact O-N 3.12Å; G137-N193 WeakPolarHBondContact CA-OD1 3.37Å; G137-N193 PolarHBondContact O-OD1 2.67Å
138	G	98.3	Very high	98.4	Very high	20 Å²	20	29.3 Å²	29.3	21%	0.206	19%	0.189	C	C	.	.	H	α-helix	trans	-67	-17.7	177.6	0	0	0	0	0	115.1	L134 R135 K225	L134-G138 PolarHBondContact O-N 3.45Å; R135-G138 PolarHBondContact O-N 2.84Å; G138-K225 WeakPolarHBondContact CA-O 3.19Å
139	A	98.4	Very high	98.3	Very high	59 Å²	59	29.5 Å²	29.5	49%	0.488	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.9	-2.9	175.6	0	0	0	0	0	113.8	R135 A136 G137 I141	R135-A139 WeakPolarHBondContact O-CB 3.4Å; R135-A139 PolarHBondContact O-N 3.43Å; A136-A139 CarbonylContact O-C 3.46Å; A136-A139 PolarHBondContact O-N 2.94Å; G137-A139 PolarHBondContact O-N 2.97Å; A139-I141 VanDerWaalsContact C-N 3.29Å; A139-I141 HydrophobicContact CB-CD1 4.05Å; A139-I141 HydrophobicContact CB-CG1 4.17Å; A139-I141 PolarHBondContact O-N 2.94Å
140	G	98	Very high	98.2	Very high	73 Å²	73	30.5 Å²	30.5	75%	0.753	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.7	20.1	-175.5	0	0	0	0	0	114.3	A136 G137	A136-G140 PolarHBondContact O-N 2.84Å; A136-G140 VanDerWaalsContact O-N 3.11Å; G137-G140 PolarHBondContact O-N 2.77Å; G137-G140 VanDerWaalsContact O-N 3.12Å
141	I	98.7	Very high	98.1	Very high	69 Å²	69	33.2 Å²	33.2	35%	0.354	22%	0.217	S	C	.	.			trans	-87.3	125.8	175.2	-64.1	169.9	0	0	0	107.9	A136 A139 A143 A191	A136-I141 HydrophobicContact CB-CB 4.03Å; A136-I141 HydrophobicContact CB-CG2 4.23Å; A136-I141 PolarHBondContact O-N 2.86Å; A139-I141 VanDerWaalsContact C-N 3.29Å; A139-I141 HydrophobicContact CB-CD1 4.05Å; A139-I141 HydrophobicContact CB-CG1 4.17Å; A139-I141 PolarHBondContact O-N 2.94Å; I141-A143 WeakPolarHBondContact CG2-O 3.37Å; I141-A191 WeakPolarHBondContact O-CB 3.18Å
142	A	98.6	Very high	98	Very high	83 Å²	83	33.3 Å²	33.3	69%	0.686	22%	0.218	S	C	*	.			trans	-71.9	-38.4	-174	0	0	0	0	0	113.6	A191	A142-A191 PolarHBondContact O-N 3.27Å
143	A	98.6	Very high	97.9	Very high	31 Å²	31	33.7 Å²	33.7	26%	0.256	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.2	164.9	-177.1	0	0	0	0	0	111	I141 L188 E189	I141-A143 WeakPolarHBondContact CG2-O 3.37Å; A143-L188 HydrophobicContact CB-CD1 3.73Å; A143-L188 HydrophobicContact CB-CG 4.44Å; A143-E189 CarbonylContact C-O 3.55Å; A143-E189 WeakPolarHBondContact CA-O 3.41Å; A143-E189 VanDerWaalsContact CB-O 3.29Å; A143-E189 WeakPolarHBondContact CB-O 3.48Å
144	F	98.5	Very high	97.8	Very high	29 Å²	29	33.5 Å²	33.5	13%	0.127	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	159.9	175.9	62.4	-82.8	0	0	0	110.4	T129 E132 K133 A136 T146 E189	T129-F144 HydrophobicContact CG2-CZ 4.44Å; E132-F144 HydrophobicContact CB-CE1 4.21Å; E132-F144 HydrophobicContact CB-CE2 3.85Å; E132-F144 HydrophobicContact CB-CZ 3.59Å; E132-F144 HydrophobicContact CG-CD1 4.11Å; E132-F144 HydrophobicContact CG-CD2 3.7Å; E132-F144 HydrophobicContact CG-CE1 3.8Å; E132-F144 HydrophobicContact CG-CE2 3.34Å; E132-F144 HydrophobicContact CG-CG 4.07Å; E132-F144 HydrophobicContact CG-CZ 3.4Å; K133-F144 HydrophobicContact CB-CE1 4.42Å; K133-F144 HydrophobicContact CG-CE1 3.89Å; K133-F144 HydrophobicContact CG-CZ 3.96Å; A136-F144 HydrophobicContact CB-CD1 4.07Å; A136-F144 HydrophobicContact CB-CE1 4.38Å; F144-T146 HydrophobicContact CE2-CG2 4.03Å; F144-E189 HydrophobicContact CD1-CB 4.36Å; F144-E189 HydrophobicContact CD2-CB 4.37Å; F144-E189 HydrophobicContact CE1-CB 3.81Å; F144-E189 HydrophobicContact CE2-CB 3.84Å; F144-E189 HydrophobicContact CE2-CG 4.36Å; F144-E189 HydrophobicContact CZ-CB 3.53Å; F144-E189 HydrophobicContact CZ-CG 4.28Å; F144-E189 PolarHBondContact N-O 3.37Å; F144-E189 PolarHBondContact O-N 2.86Å
145	Y	98.3	Very high	97.8	Very high	69 Å²	69	35 Å²	35	27%	0.271	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	137.3	173	-77.1	-84.2	0	0	0	110.2	E177 R179 F181 I187 L188	Y145-E177 PolarHBondContact OH-OE1 3.05Å; Y145-R179 HydrophobicContact CD1-CB 4.27Å; Y145-R179 HydrophobicContact CE1-CB 3.68Å; Y145-F181 AromaticContact CD1-CE2 3.91Å; Y145-F181 HydrophobicContact CD1-CE2 3.91Å; Y145-F181 AromaticContact CD2-CE2 3.92Å; Y145-F181 HydrophobicContact CD2-CE2 3.92Å; Y145-F181 AromaticContact CD2-CZ 3.78Å; Y145-F181 HydrophobicContact CD2-CZ 3.78Å; Y145-F181 HydrophobicContact CE1-CE2 4.36Å; Y145-F181 HydrophobicContact CE2-CE2 4.35Å; Y145-F181 HydrophobicContact CE2-CZ 4.05Å; Y145-F181 AromaticContact CG-CE2 3.66Å; Y145-F181 HydrophobicContact CG-CE2 3.66Å; Y145-F181 HydrophobicContact CG-CZ 4.03Å; Y145-I187 CarbonylContact C-O 3.5Å; Y145-I187 VanDerWaalsContact CA-O 3.29Å; Y145-I187 WeakPolarHBondContact CA-O 3.44Å; Y145-L188 HydrophobicContact CD1-CB 4.16Å; Y145-L188 HydrophobicContact CD1-CD1 4.45Å; Y145-L188 HydrophobicContact CD2-CD1 4.23Å; Y145-L188 HydrophobicContact CE1-CB 3.77Å; Y145-L188 HydrophobicContact CE1-CD1 4.13Å; Y145-L188 HydrophobicContact CE2-CD1 3.91Å; Y145-L188 HydrophobicContact CG-CD1 4.5Å
146	T	97.7	Very high	97.8	Very high	9 Å²	9	34.7 Å²	34.7	6%	0.055	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	147.9	176.6	-174.5	0	0	0	0	111.9	F144 T148 Y186 I187 E189	F144-T146 HydrophobicContact CE2-CG2 4.03Å; T146-T148 VanDerWaalsContact C-N 3.27Å; T146-T148 PolarHBondContact OG1-N 3.39Å; T146-T148 PolarHBondContact OG1-OG1 2.97Å; T146-Y186 CarbonylContact O-C 3.54Å; T146-Y186 WeakPolarHBondContact O-CA 3.24Å; T146-I187 HydrophobicContact CG2-CG1 4.09Å; T146-I187 PolarHBondContact N-O 2.8Å; T146-I187 WeakPolarHBondContact O-CG1 3.48Å; T146-I187 PolarHBondContact O-N 3.31Å; T146-E189 HydrophobicContact CG2-CG 3.93Å
147	Q	96.6	Very high	97.7	Very high	42 Å²	42	35 Å²	35	20%	0.196	24%	0.242	C	C	.	.	S	Bend	trans	-73.6	-22.9	171.9	-64.4	-176.5	69.1	0	0	112	G149 C150 T184 Y186 S415	Q147-G149 PolarHBondContact O-N 3.2Å; Q147-G149 VanDerWaalsContact O-N 3.12Å; Q147-C150 WeakPolarHBondContact O-CB 3.25Å; Q147-C150 PolarHBondContact O-N 3.38Å; Q147-C150 VanDerWaalsContact O-N 3.09Å; Q147-C150 PolarHBondContact O-SG 3Å; Q147-C150 VanDerWaalsContact O-SG 3.39Å; Q147-T184 VanDerWaalsContact CD-CG2 3.47Å; Q147-T184 HydrophobicContact CG-CG2 4.03Å; Q147-Y186 HydrophobicContact CG-CD1 3.87Å; Q147-Y186 HydrophobicContact CG-CD2 4.09Å; Q147-Y186 HydrophobicContact CG-CE1 3.55Å; Q147-Y186 HydrophobicContact CG-CE2 3.78Å; Q147-Y186 HydrophobicContact CG-CG 4.1Å; Q147-Y186 VanDerWaalsContact CG-CZ 3.47Å; Q147-Y186 PolarHBondContact NE2-OH 3.07Å; Q147-Y186 VanDerWaalsContact NE2-OH 3.14Å; Q147-S415 PolarHBondContact OE1-O 2.92Å
148	T	97.8	Very high	97.5	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	116.9	-176.7	-52.3	0	0	0	0	110.7	P126 T129 T146 I187 R374 M411 D412	P126-T148 HydrophobicContact CB-CG2 3.51Å; P126-T148 HydrophobicContact CG-CG2 3.83Å; T129-T148 WeakPolarHBondContact OG1-CG2 3.37Å; T146-T148 VanDerWaalsContact C-N 3.27Å; T146-T148 PolarHBondContact OG1-N 3.39Å; T146-T148 PolarHBondContact OG1-OG1 2.97Å; T148-I187 VanDerWaalsContact O-CD1 3.3Å; T148-I187 WeakPolarHBondContact O-CD1 3.28Å; T148-R374 WeakPolarHBondContact OG1-CD 3.48Å; T148-M411 HydrophobicContact CG2-CB 3.96Å; T148-D412 HydrophobicContact CG2-CB 4.34Å; T148-D412 PolarHBondContact OG1-OD1 3.21Å
149	G	97	Very high	97.3	Very high	4 Å²	4	36.3 Å²	36.3	4%	0.041	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	91.8	-1.1	178.5	0	0	0	0	0	115.4	Q147 T152	Q147-G149 PolarHBondContact O-N 3.2Å; Q147-G149 VanDerWaalsContact O-N 3.12Å; G149-T152 WeakPolarHBondContact O-CB 3.49Å; G149-T152 PolarHBondContact O-N 3.17Å; G149-T152 PolarHBondContact O-OG1 3.01Å
150	C	97.3	Very high	97.1	Very high	20 Å²	20	34.3 Å²	34.3	14%	0.135	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	144.7	167.6	-71.2	0	0	0	0	111.5	Q147 T152 S185	Q147-C150 WeakPolarHBondContact O-CB 3.25Å; Q147-C150 PolarHBondContact O-N 3.38Å; Q147-C150 VanDerWaalsContact O-N 3.09Å; Q147-C150 PolarHBondContact O-SG 3Å; Q147-C150 VanDerWaalsContact O-SG 3.39Å; C150-T152 WeakPolarHBondContact O-CG2 3.19Å; C150-T152 PolarHBondContact O-N 3.39Å; C150-S185 PolarHBondContact SG-O 3.19Å; C150-S185 VanDerWaalsContact SG-O 3.37Å
151	S	95.4	Very high	97.1	Very high	58 Å²	58	31.5 Å²	31.5	41%	0.406	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.9	19.2	-173.4	-65.4	0	0	0	0	114.9	E155 V444 E447	S151-E155 WeakPolarHBondContact CA-OE2 3.49Å; S151-E155 PolarHBondContact N-OE2 3.17Å; S151-V444 WeakPolarHBondContact O-CG2 3.35Å; S151-E447 WeakPolarHBondContact CB-OE2 3.47Å; S151-E447 PolarHBondContact OG-OE2 2.88Å
152	T	97.3	Very high	97	Very high	2 Å²	2	30.5 Å²	30.5	1%	0.012	19%	0.193	C	C	.	.	S	Bend	trans	-118.8	175.8	177.7	80.3	0	0	0	0	111.7	G149 C150 I154 E155 S156 M411 V444 T445	G149-T152 WeakPolarHBondContact O-CB 3.49Å; G149-T152 PolarHBondContact O-N 3.17Å; G149-T152 PolarHBondContact O-OG1 3.01Å; C150-T152 WeakPolarHBondContact O-CG2 3.19Å; C150-T152 PolarHBondContact O-N 3.39Å; T152-I154 PolarHBondContact O-N 3.35Å; T152-I154 VanDerWaalsContact O-N 3.09Å; T152-I154 WeakPolarHBondContact OG1-CB 3.19Å; T152-I154 PolarHBondContact OG1-N 2.69Å; T152-I154 VanDerWaalsContact OG1-N 3.1Å; T152-E155 PolarHBondContact O-N 3.37Å; T152-S156 PolarHBondContact O-N 2.8Å; T152-S156 PolarHBondContact O-OG 3.3Å; T152-M411 HydrophobicContact CG2-CE 4.13Å; T152-V444 HydrophobicContact CG2-CG2 4.2Å; T152-T445 WeakPolarHBondContact CG2-O 3.48Å
153	V	96.3	Very high	96.9	Very high	28 Å²	28	27.1 Å²	27.1	17%	0.17	16%	0.162	C	C	.	.	H	α-helix	trans	-58.1	-19.4	172.2	76	0	0	0	0	113.2	E155 G157 W159 W397	V153-E155 VanDerWaalsContact C-N 3.34Å; V153-G157 WeakPolarHBondContact CG2-O 3.08Å; V153-G157 CarbonylContact O-C 3.51Å; V153-G157 VanDerWaalsContact O-CA 3.32Å; V153-G157 WeakPolarHBondContact O-CA 3.36Å; V153-G157 PolarHBondContact O-N 2.95Å; V153-G157 VanDerWaalsContact O-N 3.07Å; V153-W159 HydrophobicContact CG2-CB 4.18Å; V153-W397 HydrophobicContact CG1-CH2 4.15Å; V153-W397 HydrophobicContact CG1-CZ2 3.76Å
154	I	97.1	Very high	96.8	Very high	12 Å²	12	29.6 Å²	29.6	6%	0.062	17%	0.167	C	C	.	.	H	α-helix	trans	-68.8	-35.4	174.1	-60.6	-56.4	0	0	0	111.4	V124 P126 T152 K176 I187 I407 M411	V124-I154 WeakPolarHBondContact O-CD1 3.34Å; P126-I154 HydrophobicContact CG-CG1 4.28Å; T152-I154 PolarHBondContact O-N 3.35Å; T152-I154 VanDerWaalsContact O-N 3.09Å; T152-I154 WeakPolarHBondContact OG1-CB 3.19Å; T152-I154 PolarHBondContact OG1-N 2.69Å; T152-I154 VanDerWaalsContact OG1-N 3.1Å; I154-K176 VanDerWaalsContact CG2-NZ 3.33Å; I154-K176 VanDerWaalsContact O-CD 3.25Å; I154-K176 WeakPolarHBondContact O-CD 3.46Å; I154-K176 VanDerWaalsContact O-CE 3.24Å; I154-K176 WeakPolarHBondContact O-CE 3.41Å; I154-I187 HydrophobicContact CG2-CD1 3.94Å; I154-I407 HydrophobicContact CD1-CD1 3.67Å; I154-I407 HydrophobicContact CG1-CD1 4.02Å; I154-M411 HydrophobicContact CG1-CE 4.06Å; I154-M411 HydrophobicContact CG1-SD 3.73Å
155	E	98.1	Very high	96.4	Very high	31 Å²	31	34.2 Å²	34.2	15%	0.145	20%	0.2	C	C	.	.	H	α-helix	trans	-84.4	-52	175.8	177.7	176.2	-134.7	0	0	111.6	S151 T152 V153 G157 P175 K176 S178 I187	S151-E155 WeakPolarHBondContact CA-OE2 3.49Å; S151-E155 PolarHBondContact N-OE2 3.17Å; T152-E155 PolarHBondContact O-N 3.37Å; V153-E155 VanDerWaalsContact C-N 3.34Å; E155-G157 PolarHBondContact O-N 3.47Å; E155-P175 CarbonylContact O-C 3.6Å; E155-P175 VanDerWaalsContact O-CA 3.23Å; E155-P175 WeakPolarHBondContact O-CA 3.18Å; E155-K176 PolarHBondContact O-N 2.8Å; E155-S178 WeakPolarHBondContact OE1-CB 3.4Å; E155-I187 HydrophobicContact CB-CG2 3.76Å; E155-I187 HydrophobicContact CG-CG2 3.51Å; E155-I187 WeakPolarHBondContact OE1-CG2 3.35Å
156	S	97.6	Very high	96.1	Very high	80 Å²	80	36.1 Å²	36.1	56%	0.559	22%	0.215	S	C	*	.	H	α-helix	trans	-75.5	-11.8	-173	58.1	0	0	0	0	113.7	T152	T152-S156 PolarHBondContact O-N 2.8Å; T152-S156 PolarHBondContact O-OG 3.3Å
157	G	96.7	Very high	95.8	Very high	6 Å²	6	36.8 Å²	36.8	6%	0.062	22%	0.224	C	C	.	.			trans	71.1	-169	-169.7	0	0	0	0	0	111.5	V153 E155 S173	V153-G157 WeakPolarHBondContact CG2-O 3.08Å; V153-G157 CarbonylContact O-C 3.51Å; V153-G157 VanDerWaalsContact O-CA 3.32Å; V153-G157 WeakPolarHBondContact O-CA 3.36Å; V153-G157 PolarHBondContact O-N 2.95Å; V153-G157 VanDerWaalsContact O-N 3.07Å; E155-G157 PolarHBondContact O-N 3.47Å; G157-S173 CarbonylContact C-O 3.51Å; G157-S173 VanDerWaalsContact CA-O 3.32Å; G157-S173 WeakPolarHBondContact CA-O 3.39Å; G157-S173 WeakPolarHBondContact CA-OG 3.33Å
158	G	94.7	Very high	95.7	Very high	39 Å²	39	38.9 Å²	38.9	40%	0.402	24%	0.236	S	C	.	.			trans	99.2	-2	178.9	0	0	0	0	0	115.1	I172 S173	G158-I172 VanDerWaalsContact C-CG1 3.44Å; G158-S173 PolarHBondContact N-O 3.01Å; G158-S173 PolarHBondContact N-OG 3.31Å
159	W	94.5	Very high	95.6	Very high	18 Å²	18	41.4 Å²	41.4	7%	0.068	25%	0.252	C	S	.	.			trans	-72.8	127.6	175	177.3	-102.1	0	0	0	110.4	L122 V124 V153 I161 I172 S173 W397 V398 V404	L122-W159 PolarHBondContact O-NE1 2.9Å; V124-W159 HydrophobicContact CG2-CZ2 3.66Å; V153-W159 HydrophobicContact CG2-CB 4.18Å; W159-I161 PolarHBondContact O-N 3.49Å; W159-I172 CarbonylContact O-C 3.41Å; W159-I172 WeakPolarHBondContact O-CA 3.27Å; W159-I172 WeakPolarHBondContact O-CG1 3.32Å; W159-S173 WeakPolarHBondContact CB-OG 3.32Å; W159-S173 PolarHBondContact N-OG 3.45Å; W159-S173 PolarHBondContact O-N 2.92Å; W159-W397 HydrophobicContact CD2-CH2 4.38Å; W159-W397 AromaticContact CE3-CH2 3.62Å; W159-W397 HydrophobicContact CE3-CH2 3.62Å; W159-W397 HydrophobicContact CE3-CZ3 4.27Å; W159-W397 HydrophobicContact CH2-CH2 4.07Å; W159-W397 AromaticContact CH2-CZ3 3.91Å; W159-W397 HydrophobicContact CH2-CZ3 3.91Å; W159-W397 AromaticContact CZ3-CH2 3.43Å; W159-W397 HydrophobicContact CZ3-CH2 3.43Å; W159-W397 VanDerWaalsContact CZ3-CH2 3.43Å; W159-W397 HydrophobicContact CZ3-CZ2 4.49Å; W159-W397 AromaticContact CZ3-CZ3 3.76Å; W159-W397 HydrophobicContact CZ3-CZ3 3.76Å; W159-V398 HydrophobicContact CH2-CG2 3.96Å; W159-V398 HydrophobicContact CZ3-CG2 4.09Å; W159-V404 HydrophobicContact CH2-CG1 4.22Å; W159-V404 HydrophobicContact CH2-CG2 4.44Å; W159-V404 HydrophobicContact CZ2-CG1 4.19Å
160	P	95.3	Very high	95.6	Very high	18 Å²	18	44.8 Å²	44.8	12%	0.117	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	96.5	178.6	28.2	-34	0	0	0	110.6	Y115 K162 Y163 V169 I171	Y115-P160 PolarHBondContact OH-O 2.87Å; P160-K162 VanDerWaalsContact C-N 3.28Å; P160-K162 PolarHBondContact O-N 3.15Å; P160-Y163 HydrophobicContact CB-CE1 3.87Å; P160-Y163 HydrophobicContact CB-CE2 4.35Å; P160-Y163 HydrophobicContact CG-CE1 4.22Å; P160-Y163 HydrophobicContact CG-CE2 4.41Å; P160-Y163 WeakPolarHBondContact CG-OH 3.28Å; P160-V169 HydrophobicContact CB-CB 4.45Å; P160-V169 HydrophobicContact CB-CG1 3.85Å; P160-V169 HydrophobicContact CB-CG2 3.76Å; P160-I171 CarbonylContact C-O 3.5Å
161	I	96.8	Very high	95.7	Very high	14 Å²	14	46.3 Å²	46.3	7%	0.072	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	-33.2	176.5	-66.4	174.2	0	0	0	110.9	Y115 E121 L122 W159 I171	Y115-I161 WeakPolarHBondContact CE2-O 3.45Å; E121-I161 CarbonylContact C-O 3.59Å; E121-I161 VanDerWaalsContact CA-O 3.3Å; E121-I161 WeakPolarHBondContact CA-O 3.17Å; E121-I161 HydrophobicContact CB-CG2 3.99Å; L122-I161 PolarHBondContact N-O 3.29Å; L122-I161 WeakPolarHBondContact O-CA 3.34Å; W159-I161 PolarHBondContact O-N 3.49Å; I161-I171 WeakPolarHBondContact CA-O 3.27Å; I161-I171 HydrophobicContact CB-CB 4.19Å; I161-I171 HydrophobicContact CB-CG2 3.94Å; I161-I171 HydrophobicContact CD1-CG2 4.33Å; I161-I171 HydrophobicContact CG2-CB 4.43Å; I161-I171 HydrophobicContact CG2-CG2 4.13Å; I161-I171 PolarHBondContact N-O 3.01Å
162	K	97.3	Very high	95.8	Very high	47 Å²	47	47.4 Å²	47.4	20%	0.204	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	141	179.1	-169.2	-173.1	168.4	-153.9	0	110.7	G118 E121 P160 D170 I171	G118-K162 WeakPolarHBondContact O-CE 3.2Å; E121-K162 HydrophobicContact CG-CB 4.03Å; E121-K162 HydrophobicContact CG-CD 3.77Å; E121-K162 HydrophobicContact CG-CG 4.05Å; P160-K162 VanDerWaalsContact C-N 3.28Å; P160-K162 PolarHBondContact O-N 3.15Å; K162-D170 HydrophobicContact CB-CB 4.22Å; K162-D170 HydrophobicContact CD-CB 4.23Å; K162-D170 WeakPolarHBondContact CD-OD2 3.33Å; K162-D170 WeakPolarHBondContact CE-OD2 3.27Å; K162-D170 HydrophobicContact CG-CB 4.23Å; K162-D170 IonicContact NZ-OD2 2.65Å; K162-D170 PolarHBondContact NZ-OD2 3.18Å; K162-D170 PolarHBondContact O-N 3.09Å; K162-I171 HydrophobicContact CB-CB 3.88Å; K162-I171 HydrophobicContact CB-CD1 4.09Å; K162-I171 HydrophobicContact CB-CG1 3.98Å; K162-I171 HydrophobicContact CD-CD1 3.91Å; K162-I171 HydrophobicContact CD-CG1 4.28Å; K162-I171 PolarHBondContact N-O 3.23Å; K162-I171 PolarHBondContact O-N 3.48Å
163	Y	95.9	Very high	95.8	Very high	12 Å²	12	48.5 Å²	48.5	5%	0.047	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	158.8	170.4	-66.1	-76.7	0	0	0	111.9	Y115 F116 G118 P160 D168 V169	Y115-Y163 HydrophobicContact CD1-CE2 4.39Å; Y115-Y163 HydrophobicContact CE1-CD2 4.28Å; Y115-Y163 AromaticContact CE1-CE2 3.66Å; Y115-Y163 HydrophobicContact CE1-CE2 3.66Å; Y115-Y163 HydrophobicContact CE2-CD2 4.07Å; Y115-Y163 HydrophobicContact CE2-CE2 4.01Å; Y115-Y163 AromaticContact CZ-CD2 3.97Å; Y115-Y163 AromaticContact CZ-CE2 3.44Å; Y115-Y163 VanDerWaalsContact CZ-CE2 3.44Å; Y115-Y163 WeakPolarHBondContact OH-CE2 3.4Å; F116-Y163 HydrophobicContact CD1-CD2 4.12Å; F116-Y163 AromaticContact CD1-CE2 3.78Å; F116-Y163 HydrophobicContact CD1-CE2 3.78Å; F116-Y163 AromaticContact CE1-CE2 3.93Å; F116-Y163 HydrophobicContact CE1-CE2 3.93Å; G118-Y163 WeakPolarHBondContact CA-O 3.47Å; P160-Y163 HydrophobicContact CB-CE1 3.87Å; P160-Y163 HydrophobicContact CB-CE2 4.35Å; P160-Y163 HydrophobicContact CG-CE1 4.22Å; P160-Y163 HydrophobicContact CG-CE2 4.41Å; P160-Y163 WeakPolarHBondContact CG-OH 3.28Å; Y163-D168 CarbonylContact C-O 3.49Å; Y163-D168 VanDerWaalsContact CA-O 3.31Å; Y163-D168 WeakPolarHBondContact CA-O 3.33Å; Y163-V169 HydrophobicContact CD1-CG2 4.4Å; Y163-V169 HydrophobicContact CE1-CG2 4.16Å
164	K	96.4	Very high	95.8	Very high	83 Å²	83	53.9 Å²	53.9	36%	0.361	31%	0.307	S	S	.	.			trans	-88.1	160.3	163.8	-63	-176.1	-170.9	171.7	0	109.2	N166 G167 D168 D170	K164-N166 WeakPolarHBondContact CB-OD1 3.19Å; K164-N166 PolarHBondContact O-N 3.15Å; K164-G167 PolarHBondContact O-N 2.81Å; K164-D168 HydrophobicContact CB-CB 4.44Å; K164-D168 HydrophobicContact CD-CB 4.2Å; K164-D168 PolarHBondContact N-O 3.36Å; K164-D170 WeakPolarHBondContact CE-OD1 3.3Å; K164-D170 HydrophobicContact CG-CB 3.64Å
165	P	90.9	Very high	95.9	Very high	127 Å²	127	57.3 Å²	57.3	83%	0.825	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-21.1	177	-27.5	35.8	0	0	0	115.1
166	N	91.9	Very high	95.9	Very high	108 Å²	108	58.5 Å²	58.5	58%	0.578	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-1.5	175.9	71.3	-14.4	0	0	0	113.8	K164 D168	K164-N166 WeakPolarHBondContact CB-OD1 3.19Å; K164-N166 PolarHBondContact O-N 3.15Å; N166-D168 PolarHBondContact ND2-OD2 3.12Å; N166-D168 WeakPolarHBondContact OD1-CB 3.3Å; N166-D168 PolarHBondContact OD1-N 2.87Å; N166-D168 VanDerWaalsContact OD1-N 3.08Å; N166-D168 PolarHBondContact OD1-OD2 3.04Å
167	G	89.7	Confident	95.9	Very high	23 Å²	23	59.8 Å²	59.8	24%	0.237	33%	0.331	C	S	.	.	S	Bend	trans	90	-1.6	-179.4	0	0	0	0	0	115.7	K164 R401	K164-G167 PolarHBondContact O-N 2.81Å; G167-R401 PolarHBondContact O-NH1 2.82Å; G167-R401 PolarHBondContact O-NH2 3.07Å
168	D	95.1	Very high	96	Very high	86 Å²	86	62.6 Å²	62.6	46%	0.46	35%	0.35	S	S	.	.			trans	-71.3	158	170.8	-68.4	-26	0	0	0	110.9	Y163 K164 N166	Y163-D168 CarbonylContact C-O 3.49Å; Y163-D168 VanDerWaalsContact CA-O 3.31Å; Y163-D168 WeakPolarHBondContact CA-O 3.33Å; K164-D168 HydrophobicContact CB-CB 4.44Å; K164-D168 HydrophobicContact CD-CB 4.2Å; K164-D168 PolarHBondContact N-O 3.36Å; N166-D168 PolarHBondContact ND2-OD2 3.12Å; N166-D168 WeakPolarHBondContact OD1-CB 3.3Å; N166-D168 PolarHBondContact OD1-N 2.87Å; N166-D168 VanDerWaalsContact OD1-N 3.08Å; N166-D168 PolarHBondContact OD1-OD2 3.04Å
169	V	96	Very high	96.1	Very high	54 Å²	54	67.2 Å²	67.2	33%	0.327	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	128.9	175	-175.4	0	0	0	0	109.3	P160 Y163 I171 I172	P160-V169 HydrophobicContact CB-CB 4.45Å; P160-V169 HydrophobicContact CB-CG1 3.85Å; P160-V169 HydrophobicContact CB-CG2 3.76Å; Y163-V169 HydrophobicContact CD1-CG2 4.4Å; Y163-V169 HydrophobicContact CE1-CG2 4.16Å; V169-I171 WeakPolarHBondContact CG1-O 3.34Å; V169-I172 HydrophobicContact CG1-CB 4.03Å; V169-I172 HydrophobicContact CG1-CG1 4.39Å
170	D	97.8	Very high	96.3	Very high	74 Å²	74	71.6 Å²	71.6	40%	0.396	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	-49.4	175.7	-163.4	29.2	0	0	0	111	K162 K164	K162-D170 HydrophobicContact CB-CB 4.22Å; K162-D170 HydrophobicContact CD-CB 4.23Å; K162-D170 WeakPolarHBondContact CD-OD2 3.33Å; K162-D170 WeakPolarHBondContact CE-OD2 3.27Å; K162-D170 HydrophobicContact CG-CB 4.23Å; K162-D170 IonicContact NZ-OD2 2.65Å; K162-D170 PolarHBondContact NZ-OD2 3.18Å; K162-D170 PolarHBondContact O-N 3.09Å; K164-D170 WeakPolarHBondContact CE-OD1 3.3Å; K164-D170 HydrophobicContact CG-CB 3.64Å
171	I	98.2	Very high	96.3	Very high	53 Å²	53	74.2 Å²	74.2	27%	0.272	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	131.4	178.6	-54.7	175.7	0	0	0	107.5	E121 P160 I161 K162 V169	E121-I171 HydrophobicContact CG-CD1 4.21Å; P160-I171 CarbonylContact C-O 3.5Å; I161-I171 WeakPolarHBondContact CA-O 3.27Å; I161-I171 HydrophobicContact CB-CB 4.19Å; I161-I171 HydrophobicContact CB-CG2 3.94Å; I161-I171 HydrophobicContact CD1-CG2 4.33Å; I161-I171 HydrophobicContact CG2-CB 4.43Å; I161-I171 HydrophobicContact CG2-CG2 4.13Å; I161-I171 PolarHBondContact N-O 3.01Å; K162-I171 HydrophobicContact CB-CB 3.88Å; K162-I171 HydrophobicContact CB-CD1 4.09Å; K162-I171 HydrophobicContact CB-CG1 3.98Å; K162-I171 HydrophobicContact CD-CD1 3.91Å; K162-I171 HydrophobicContact CD-CG1 4.28Å; K162-I171 PolarHBondContact N-O 3.23Å; K162-I171 PolarHBondContact O-N 3.48Å; V169-I171 WeakPolarHBondContact CG1-O 3.34Å
172	I	97.5	Very high	96.2	Very high	81 Å²	81	81.1 Å²	81.1	42%	0.415	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	150.6	178.9	-158.7	166.3	0	0	0	109.7	G158 W159 V169	G158-I172 VanDerWaalsContact C-CG1 3.44Å; W159-I172 CarbonylContact O-C 3.41Å; W159-I172 WeakPolarHBondContact O-CA 3.27Å; W159-I172 WeakPolarHBondContact O-CG1 3.32Å; V169-I172 HydrophobicContact CG1-CB 4.03Å; V169-I172 HydrophobicContact CG1-CG1 4.39Å
173	S	97.3	Very high	95.9	Very high	25 Å²	25	86.1 Å²	86.1	18%	0.175	46%	0.455	C	S	.	.	P	Polyproline II helix	trans	-72.4	139	175.5	71.1	0	0	0	0	110.7	G157 G158 W159	G157-S173 CarbonylContact C-O 3.51Å; G157-S173 VanDerWaalsContact CA-O 3.32Å; G157-S173 WeakPolarHBondContact CA-O 3.39Å; G157-S173 WeakPolarHBondContact CA-OG 3.33Å; G158-S173 PolarHBondContact N-O 3.01Å; G158-S173 PolarHBondContact N-OG 3.31Å; W159-S173 WeakPolarHBondContact CB-OG 3.32Å; W159-S173 PolarHBondContact N-OG 3.45Å; W159-S173 PolarHBondContact O-N 2.92Å
174	E	97.6	Very high	95.7	Very high	140 Å²	140	87.8 Å²	87.8	65%	0.654	47%	0.467	S	S	*	.	P	Polyproline II helix	trans	-81.5	155	176.9	-65	-60.2	134.9	0	0	111.4
175	P	98.2	Very high	95.7	Very high	84 Å²	84	85.7 Å²	85.7	55%	0.545	46%	0.463	S	S	.	.	P	Polyproline II helix	trans	-64.8	154.1	170.7	28.3	-35	0	0	0	111.5	E155	E155-P175 CarbonylContact O-C 3.6Å; E155-P175 VanDerWaalsContact O-CA 3.23Å; E155-P175 WeakPolarHBondContact O-CA 3.18Å
176	K	98.1	Very high	96	Very high	56 Å²	56	82.5 Å²	82.5	24%	0.243	44%	0.435	C	S	.	.			trans	-105.6	152.4	177.6	-63.1	-178.4	-174.1	173.4	0	110.9	I154 E155 S178 I187 E189	I154-K176 VanDerWaalsContact CG2-NZ 3.33Å; I154-K176 VanDerWaalsContact O-CD 3.25Å; I154-K176 WeakPolarHBondContact O-CD 3.46Å; I154-K176 VanDerWaalsContact O-CE 3.24Å; I154-K176 WeakPolarHBondContact O-CE 3.41Å; E155-K176 PolarHBondContact O-N 2.8Å; K176-S178 PolarHBondContact O-N 2.85Å; K176-I187 HydrophobicContact CB-CB 4.47Å; K176-I187 HydrophobicContact CD-CD1 4.04Å; K176-E189 VanDerWaalsContact NZ-CD 3.27Å; K176-E189 IonicContact NZ-OE1 2.73Å; K176-E189 PolarHBondContact NZ-OE1 3.08Å; K176-E189 IonicContact NZ-OE2 2.83Å; K176-E189 PolarHBondContact NZ-OE2 3.4Å
177	E	98.3	Very high	96.3	Very high	107 Å²	107	77.3 Å²	77.3	50%	0.5	41%	0.407	S	S	.	.			trans	-66.1	131.7	171.6	-173.7	-167.2	127	0	0	109.6	Y145 I187 L188	Y145-E177 PolarHBondContact OH-OE1 3.05Å; E177-I187 CarbonylContact O-C 3.49Å; E177-I187 WeakPolarHBondContact O-CA 3.24Å; E177-L188 HydrophobicContact CB-CB 3.99Å; E177-L188 HydrophobicContact CB-CD2 4.26Å; E177-L188 PolarHBondContact O-N 3.16Å
178	S	97.8	Very high	96.8	Very high	66 Å²	66	77.6 Å²	77.6	46%	0.462	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	143.6	174.1	66.8	0	0	0	0	110.8	E155 K176 Y186	E155-S178 WeakPolarHBondContact OE1-CB 3.4Å; K176-S178 PolarHBondContact O-N 2.85Å; S178-Y186 CarbonylContact C-O 3.56Å; S178-Y186 VanDerWaalsContact CA-O 3.28Å; S178-Y186 WeakPolarHBondContact CA-O 3.43Å
179	R	98.2	Very high	96.9	Very high	136 Å²	136	73.7 Å²	73.7	51%	0.513	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	142.5	174.7	-177.8	171.4	174.7	177	0.3	111	Y145 F181 Y186	Y145-R179 HydrophobicContact CD1-CB 4.27Å; Y145-R179 HydrophobicContact CE1-CB 3.68Å; R179-F181 HydrophobicContact CB-CE2 3.89Å; R179-F181 HydrophobicContact CG-CD2 4.32Å; R179-F181 HydrophobicContact CG-CE2 3.78Å; R179-F181 HydrophobicContact CG-CZ 4.1Å; R179-Y186 PolarHBondContact N-O 2.93Å; R179-Y186 PolarHBondContact O-N 3.4Å
180	L	97.6	Very high	97	Very high	110 Å²	110	76.6 Å²	76.6	58%	0.576	39%	0.392	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.7	130.5	172.4	-62.7	177.3	0	0	0	110.9	T184	L180-T184 CarbonylContact C-O 3.56Å; L180-T184 WeakPolarHBondContact CA-O 3.46Å
181	F	96.1	Very high	97.1	Very high	72 Å²	72	74.1 Å²	74.1	32%	0.316	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	120.9	165.5	-64.8	-92.7	0	0	0	107.3	Y145 R179 N183 T184 Y186	Y145-F181 AromaticContact CD1-CE2 3.91Å; Y145-F181 HydrophobicContact CD1-CE2 3.91Å; Y145-F181 AromaticContact CD2-CE2 3.92Å; Y145-F181 HydrophobicContact CD2-CE2 3.92Å; Y145-F181 AromaticContact CD2-CZ 3.78Å; Y145-F181 HydrophobicContact CD2-CZ 3.78Å; Y145-F181 HydrophobicContact CE1-CE2 4.36Å; Y145-F181 HydrophobicContact CE2-CE2 4.35Å; Y145-F181 HydrophobicContact CE2-CZ 4.05Å; Y145-F181 AromaticContact CG-CE2 3.66Å; Y145-F181 HydrophobicContact CG-CE2 3.66Å; Y145-F181 HydrophobicContact CG-CZ 4.03Å; R179-F181 HydrophobicContact CB-CE2 3.89Å; R179-F181 HydrophobicContact CG-CD2 4.32Å; R179-F181 HydrophobicContact CG-CE2 3.78Å; R179-F181 HydrophobicContact CG-CZ 4.1Å; F181-N183 VanDerWaalsContact C-N 3.28Å; F181-N183 PolarHBondContact O-N 2.69Å; F181-T184 PolarHBondContact N-O 3.47Å; F181-T184 WeakPolarHBondContact O-CA 3.32Å; F181-T184 WeakPolarHBondContact O-CB 3.4Å; F181-T184 PolarHBondContact O-N 3.49Å; F181-Y186 HydrophobicContact CB-CD2 3.94Å; F181-Y186 HydrophobicContact CB-CE2 3.88Å; F181-Y186 AromaticContact CD2-CD2 3.71Å; F181-Y186 HydrophobicContact CD2-CD2 3.71Å; F181-Y186 HydrophobicContact CD2-CE2 4.42Å; F181-Y186 AromaticContact CD2-CG 3.89Å; F181-Y186 HydrophobicContact CD2-CG 3.89Å; F181-Y186 HydrophobicContact CG-CD2 4.27Å
182	D	93.3	Very high	97.1	Very high	159 Å²	159	72.2 Å²	72.2	85%	0.85	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.8	46.5	-175.5	-56.4	-38.9	0	0	0	113.3	T184	D182-T184 PolarHBondContact O-N 3.2Å; D182-T184 VanDerWaalsContact O-N 3.08Å; D182-T184 PolarHBondContact O-OG1 2.94Å
183	N	92.1	Very high	97.2	Very high	152 Å²	152	72.1 Å²	72.1	81%	0.813	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.3	12.6	-175.4	-61.9	-37.2	0	0	0	115.7	F181	F181-N183 VanDerWaalsContact C-N 3.28Å; F181-N183 PolarHBondContact O-N 2.69Å
184	T	92.4	Very high	97.2	Very high	48 Å²	48	71 Å²	71	29%	0.294	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	135.1	176.4	-55.4	0	0	0	0	109.1	Q147 L180 F181 D182 Y186	Q147-T184 VanDerWaalsContact CD-CG2 3.47Å; Q147-T184 HydrophobicContact CG-CG2 4.03Å; L180-T184 CarbonylContact C-O 3.56Å; L180-T184 WeakPolarHBondContact CA-O 3.46Å; F181-T184 PolarHBondContact N-O 3.47Å; F181-T184 WeakPolarHBondContact O-CA 3.32Å; F181-T184 WeakPolarHBondContact O-CB 3.4Å; F181-T184 PolarHBondContact O-N 3.49Å; D182-T184 PolarHBondContact O-N 3.2Å; D182-T184 VanDerWaalsContact O-N 3.08Å; D182-T184 PolarHBondContact O-OG1 2.94Å; T184-Y186 HydrophobicContact CG2-CD2 4.43Å; T184-Y186 HydrophobicContact CG2-CE2 3.82Å; T184-Y186 WeakPolarHBondContact O-CD2 3.34Å
185	S	95.3	Very high	97.3	Very high	38 Å²	38	66.7 Å²	66.7	27%	0.266	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	138.2	179.9	-165.1	0	0	0	0	111.4	C150	C150-S185 PolarHBondContact SG-O 3.19Å; C150-S185 VanDerWaalsContact SG-O 3.37Å
186	Y	98	Very high	97.3	Very high	60 Å²	60	63.5 Å²	63.5	24%	0.235	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	142.9	171.5	-69.7	-113.4	0	0	0	109.5	T146 Q147 S178 R179 F181 T184	T146-Y186 CarbonylContact O-C 3.54Å; T146-Y186 WeakPolarHBondContact O-CA 3.24Å; Q147-Y186 HydrophobicContact CG-CD1 3.87Å; Q147-Y186 HydrophobicContact CG-CD2 4.09Å; Q147-Y186 HydrophobicContact CG-CE1 3.55Å; Q147-Y186 HydrophobicContact CG-CE2 3.78Å; Q147-Y186 HydrophobicContact CG-CG 4.1Å; Q147-Y186 VanDerWaalsContact CG-CZ 3.47Å; Q147-Y186 PolarHBondContact NE2-OH 3.07Å; Q147-Y186 VanDerWaalsContact NE2-OH 3.14Å; S178-Y186 CarbonylContact C-O 3.56Å; S178-Y186 VanDerWaalsContact CA-O 3.28Å; S178-Y186 WeakPolarHBondContact CA-O 3.43Å; R179-Y186 PolarHBondContact N-O 2.93Å; R179-Y186 PolarHBondContact O-N 3.4Å; F181-Y186 HydrophobicContact CB-CD2 3.94Å; F181-Y186 HydrophobicContact CB-CE2 3.88Å; F181-Y186 AromaticContact CD2-CD2 3.71Å; F181-Y186 HydrophobicContact CD2-CD2 3.71Å; F181-Y186 HydrophobicContact CD2-CE2 4.42Å; F181-Y186 AromaticContact CD2-CG 3.89Å; F181-Y186 HydrophobicContact CD2-CG 3.89Å; F181-Y186 HydrophobicContact CG-CD2 4.27Å; T184-Y186 HydrophobicContact CG2-CD2 4.43Å; T184-Y186 HydrophobicContact CG2-CE2 3.82Å; T184-Y186 WeakPolarHBondContact O-CD2 3.34Å
187	I	98.3	Very high	97.4	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	144.9	172.9	55.6	163.9	0	0	0	112.3	Y145 T146 T148 I154 E155 K176 E177 E189	Y145-I187 CarbonylContact C-O 3.5Å; Y145-I187 VanDerWaalsContact CA-O 3.29Å; Y145-I187 WeakPolarHBondContact CA-O 3.44Å; T146-I187 HydrophobicContact CG2-CG1 4.09Å; T146-I187 PolarHBondContact N-O 2.8Å; T146-I187 WeakPolarHBondContact O-CG1 3.48Å; T146-I187 PolarHBondContact O-N 3.31Å; T148-I187 VanDerWaalsContact O-CD1 3.3Å; T148-I187 WeakPolarHBondContact O-CD1 3.28Å; I154-I187 HydrophobicContact CG2-CD1 3.94Å; E155-I187 HydrophobicContact CB-CG2 3.76Å; E155-I187 HydrophobicContact CG-CG2 3.51Å; E155-I187 WeakPolarHBondContact OE1-CG2 3.35Å; K176-I187 HydrophobicContact CB-CB 4.47Å; K176-I187 HydrophobicContact CD-CD1 4.04Å; E177-I187 CarbonylContact O-C 3.49Å; E177-I187 WeakPolarHBondContact O-CA 3.24Å; I187-E189 HydrophobicContact CD1-CG 4.48Å
188	L	98.7	Very high	97.4	Very high	28 Å²	28	55.7 Å²	55.7	15%	0.147	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	122.6	175.4	-175.9	65.9	0	0	0	110.5	A143 Y145 E177	A143-L188 HydrophobicContact CB-CD1 3.73Å; A143-L188 HydrophobicContact CB-CG 4.44Å; Y145-L188 HydrophobicContact CD1-CB 4.16Å; Y145-L188 HydrophobicContact CD1-CD1 4.45Å; Y145-L188 HydrophobicContact CD2-CD1 4.23Å; Y145-L188 HydrophobicContact CE1-CB 3.77Å; Y145-L188 HydrophobicContact CE1-CD1 4.13Å; Y145-L188 HydrophobicContact CE2-CD1 3.91Å; Y145-L188 HydrophobicContact CG-CD1 4.5Å; E177-L188 HydrophobicContact CB-CB 3.99Å; E177-L188 HydrophobicContact CB-CD2 4.26Å; E177-L188 PolarHBondContact O-N 3.16Å
189	E	98.5	Very high	97.4	Very high	4 Å²	4	52.6 Å²	52.6	2%	0.019	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	129.6	174.4	-71.7	-72.9	-164.4	0	0	111	T129 K133 A143 F144 T146 K176 I187	T129-E189 HydrophobicContact CG2-CB 4.49Å; T129-E189 HydrophobicContact CG2-CG 3.78Å; T129-E189 WeakPolarHBondContact CG2-OE1 3.45Å; K133-E189 WeakPolarHBondContact CE-OE2 3.15Å; K133-E189 IonicContact NZ-OE2 3.1Å; K133-E189 PolarHBondContact NZ-OE2 3Å; A143-E189 CarbonylContact C-O 3.55Å; A143-E189 WeakPolarHBondContact CA-O 3.41Å; A143-E189 VanDerWaalsContact CB-O 3.29Å; A143-E189 WeakPolarHBondContact CB-O 3.48Å; F144-E189 HydrophobicContact CD1-CB 4.36Å; F144-E189 HydrophobicContact CD2-CB 4.37Å; F144-E189 HydrophobicContact CE1-CB 3.81Å; F144-E189 HydrophobicContact CE2-CB 3.84Å; F144-E189 HydrophobicContact CE2-CG 4.36Å; F144-E189 HydrophobicContact CZ-CB 3.53Å; F144-E189 HydrophobicContact CZ-CG 4.28Å; F144-E189 PolarHBondContact N-O 3.37Å; F144-E189 PolarHBondContact O-N 2.86Å; T146-E189 HydrophobicContact CG2-CG 3.93Å; K176-E189 VanDerWaalsContact NZ-CD 3.27Å; K176-E189 IonicContact NZ-OE1 2.73Å; K176-E189 PolarHBondContact NZ-OE1 3.08Å; K176-E189 IonicContact NZ-OE2 2.83Å; K176-E189 PolarHBondContact NZ-OE2 3.4Å; I187-E189 HydrophobicContact CD1-CG 4.48Å
190	H	98.6	Very high	97.4	Very high	116 Å²	116	46.3 Å²	46.3	54%	0.537	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	145.5	175.6	-66.4	-83.1	0	0	0	112.1	K133	K133-H190 VanDerWaalsContact CG-O 3.29Å; K133-H190 WeakPolarHBondContact CG-O 3.36Å; K133-H190 PolarHBondContact NZ-O 2.84Å
191	A	98.7	Very high	97.5	Very high	22 Å²	22	41.2 Å²	41.2	18%	0.182	22%	0.217	C	C	.	.			trans	-59	151.6	172.7	0	0	0	0	0	112.7	A136 I141 A142	A136-A191 HydrophobicContact CB-CB 3.86Å; I141-A191 WeakPolarHBondContact O-CB 3.18Å; A142-A191 PolarHBondContact O-N 3.27Å
192	L	98.6	Very high	97.6	Very high	12 Å²	12	42.3 Å²	42.3	6%	0.063	22%	0.219	C	C	.	.			trans	-116.9	116.5	179.5	-176.7	60.4	0	0	0	109.6	V77 I101 L130 K133 L134	V77-L192 HydrophobicContact CB-CD2 4.41Å; V77-L192 HydrophobicContact CG1-CD2 3.49Å; V77-L192 VanDerWaalsContact CG1-CD2 3.49Å; V77-L192 HydrophobicContact CG2-CD1 4.49Å; V77-L192 HydrophobicContact CG2-CD2 4.03Å; I101-L192 HydrophobicContact CD1-CD1 4.27Å; I101-L192 HydrophobicContact CG2-CD2 4.45Å; L130-L192 HydrophobicContact CD1-CD2 3.71Å; K133-L192 HydrophobicContact CB-CB 3.71Å; K133-L192 HydrophobicContact CD-CB 4.4Å; K133-L192 PolarHBondContact O-N 3.15Å; L134-L192 HydrophobicContact CD2-CB 4.46Å; L134-L192 HydrophobicContact CD2-CD2 4.23Å; L134-L192 HydrophobicContact CD2-CG 4.29Å
193	N	98.7	Very high	97.9	Very high	79 Å²	79	37.1 Å²	37.1	42%	0.422	19%	0.189	S	C	.	.			trans	-111.3	154.8	173.4	-64	-59.3	0	0	0	110.4	R47 G137 A226	R47-N193 WeakPolarHBondContact CD-O 3.25Å; R47-N193 PolarHBondContact NH1-O 3.31Å; G137-N193 WeakPolarHBondContact CA-OD1 3.37Å; G137-N193 PolarHBondContact O-OD1 2.67Å; N193-A226 CarbonylContact C-O 3.51Å; N193-A226 WeakPolarHBondContact CA-O 3.4Å
194	G	98.7	Very high	98.2	Very high	2 Å²	2	29.9 Å²	29.9	2%	0.021	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	160.5	172.7	0	0	0	0	0	113.2	A226 A227 K228	G194-A226 PolarHBondContact N-O 3.26Å; G194-A227 VanDerWaalsContact O-CA 3.32Å; G194-A227 WeakPolarHBondContact O-CA 3.27Å; G194-K228 PolarHBondContact O-N 3.18Å
195	D	98.9	Very high	98.5	Very high	50 Å²	50	27.8 Å²	27.8	27%	0.267	14%	0.137	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	-43.7	169.7	-59.9	-58.8	0	0	0	109.9	R47 K228 V229	R47-D195 PolarHBondContact N-OD2 2.81Å; R47-D195 PolarHBondContact O-N 3.23Å; D195-K228 WeakPolarHBondContact O-CB 3.33Å; D195-K228 IonicContact OD1-NZ 3.47Å; D195-K228 PolarHBondContact OD1-NZ 3.09Å; D195-V229 PolarHBondContact O-N 3.22Å
196	F	98.9	Very high	98.6	Very high	16 Å²	16	27.8 Å²	27.8	7%	0.07	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	149.4	175	-71.2	-97.8	0	0	0	111.2	V42 R47 L48 L49 V229 I231	V42-F196 HydrophobicContact CB-CE2 4.45Å; V42-F196 HydrophobicContact CG1-CD2 4.27Å; V42-F196 HydrophobicContact CG1-CE2 4.46Å; V42-F196 HydrophobicContact CG2-CD1 3.8Å; V42-F196 HydrophobicContact CG2-CD2 4.19Å; V42-F196 HydrophobicContact CG2-CE1 3.78Å; V42-F196 HydrophobicContact CG2-CE2 4.19Å; V42-F196 HydrophobicContact CG2-CG 4Å; V42-F196 HydrophobicContact CG2-CZ 3.99Å; R47-F196 PolarHBondContact O-N 3.09Å; L48-F196 WeakPolarHBondContact CA-O 3.46Å; L48-F196 HydrophobicContact CD1-CB 3.69Å; L49-F196 PolarHBondContact N-O 3.1Å; F196-V229 CarbonylContact C-O 3.56Å; F196-V229 WeakPolarHBondContact CA-O 3.47Å; F196-V229 HydrophobicContact CD1-CB 3.69Å; F196-V229 HydrophobicContact CD1-CG1 3.78Å; F196-V229 HydrophobicContact CE1-CB 3.75Å; F196-V229 HydrophobicContact CE1-CG1 3.69Å; F196-V229 HydrophobicContact CE1-CG2 4.23Å; F196-V229 HydrophobicContact CG-CB 4.37Å; F196-V229 HydrophobicContact CZ-CB 4.46Å; F196-I231 HydrophobicContact CD1-CD1 4.27Å
197	A	98.9	Very high	98.5	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	130	164.2	0	0	0	0	0	109.9	L49 V199 M223 A227 V229 C230 I231	L49-A197 HydrophobicContact CB-CB 4.07Å; L49-A197 HydrophobicContact CD1-CB 4.48Å; L49-A197 CarbonylContact O-C 3.24Å; L49-A197 VanDerWaalsContact O-CA 3.25Å; L49-A197 WeakPolarHBondContact O-CA 3.33Å; A197-V199 HydrophobicContact CB-CG1 4.36Å; A197-M223 WeakPolarHBondContact CB-O 3.38Å; A197-A227 HydrophobicContact CB-CB 3.41Å; A197-A227 VanDerWaalsContact CB-CB 3.41Å; A197-V229 PolarHBondContact N-O 3.32Å; A197-C230 HydrophobicContact CB-CB 4.4Å; A197-C230 WeakPolarHBondContact O-CA 3.35Å; A197-I231 PolarHBondContact O-N 3.36Å
198	F	98.9	Very high	98.5	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	125.9	164.8	-64.2	-5.3	0	0	0	107.8	V39 V42 L48 L49 G51 P59 L62 I63 L66 I231	V39-F198 HydrophobicContact CB-CZ 4.07Å; V39-F198 HydrophobicContact CG1-CE1 3.92Å; V39-F198 HydrophobicContact CG1-CE2 3.98Å; V39-F198 HydrophobicContact CG1-CZ 3.39Å; V42-F198 HydrophobicContact CG2-CE1 4.45Å; V42-F198 HydrophobicContact CG2-CZ 4.31Å; L48-F198 HydrophobicContact CD1-CD1 3.72Å; L48-F198 HydrophobicContact CD1-CD2 4.1Å; L48-F198 HydrophobicContact CD1-CE1 3.71Å; L48-F198 HydrophobicContact CD1-CE2 4.14Å; L48-F198 HydrophobicContact CD1-CG 3.89Å; L48-F198 HydrophobicContact CD1-CZ 3.94Å; L48-F198 HydrophobicContact CD2-CD2 4.13Å; L48-F198 HydrophobicContact CD2-CE2 3.95Å; L48-F198 HydrophobicContact CD2-CZ 4.34Å; L49-F198 PolarHBondContact O-N 2.85Å; G51-F198 PolarHBondContact N-O 3.34Å; P59-F198 HydrophobicContact CB-CB 4.13Å; P59-F198 HydrophobicContact CG-CB 3.61Å; L62-F198 HydrophobicContact CB-CB 4.37Å; L62-F198 HydrophobicContact CB-CD2 3.62Å; L62-F198 HydrophobicContact CB-CE2 3.99Å; L62-F198 HydrophobicContact CB-CG 3.96Å; L62-F198 HydrophobicContact CD1-CB 4Å; L62-F198 HydrophobicContact CD1-CD1 4.26Å; L62-F198 HydrophobicContact CD1-CG 4.03Å; I63-F198 HydrophobicContact CG1-CD2 4.32Å; L66-F198 HydrophobicContact CB-CE2 4Å; L66-F198 HydrophobicContact CB-CZ 4.41Å; L66-F198 HydrophobicContact CD1-CZ 4.48Å; L66-F198 HydrophobicContact CD2-CE2 3.84Å; L66-F198 HydrophobicContact CD2-CZ 4.12Å; L66-F198 HydrophobicContact CG-CE2 4.43Å; F198-I231 WeakPolarHBondContact CA-O 3.38Å; F198-I231 HydrophobicContact CD1-CB 4.07Å; F198-I231 HydrophobicContact CD1-CD1 4.25Å; F198-I231 HydrophobicContact CD1-CG1 4.29Å; F198-I231 HydrophobicContact CE1-CB 4.42Å; F198-I231 HydrophobicContact CE1-CD1 3.74Å; F198-I231 HydrophobicContact CE1-CG1 4.25Å
199	V	98.8	Very high	98.5	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	152.3	-179.1	-57.5	0	0	0	0	110.6	A197 L210 N220 M223 A224 I231 A232 E233	A197-V199 HydrophobicContact CB-CG1 4.36Å; V199-L210 HydrophobicContact CG2-CD1 4.24Å; V199-N220 WeakPolarHBondContact CA-OD1 3.43Å; V199-N220 HydrophobicContact CB-CB 4.15Å; V199-N220 WeakPolarHBondContact CB-OD1 3.41Å; V199-N220 WeakPolarHBondContact CG1-O 3.2Å; V199-M223 HydrophobicContact CG1-CB 4.32Å; V199-A224 HydrophobicContact CG1-CB 4.05Å; V199-A224 HydrophobicContact CG2-CB 4.33Å; V199-I231 PolarHBondContact N-O 2.68Å; V199-I231 VanDerWaalsContact N-O 3.07Å; V199-A232 HydrophobicContact CG2-CB 3.92Å; V199-A232 WeakPolarHBondContact O-CA 3.31Å; V199-E233 PolarHBondContact O-N 2.88Å
200	K	98.5	Very high	98.5	Very high	5 Å²	5	25 Å²	25	2%	0.022	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	132.3	176.6	-173.8	73.6	169.2	-162	0	109.9	G57 P59 F212 N220 E233 S261	G57-K200 WeakPolarHBondContact O-CB 3.22Å; P59-K200 HydrophobicContact CB-CB 4.41Å; K200-F212 WeakPolarHBondContact O-CD1 3.37Å; K200-F212 VanDerWaalsContact O-CE1 3.31Å; K200-F212 WeakPolarHBondContact O-CE1 3.46Å; K200-N220 PolarHBondContact N-OD1 3.32Å; K200-N220 PolarHBondContact O-ND2 2.95Å; K200-E233 CarbonylContact C-O 3.51Å; K200-E233 WeakPolarHBondContact CA-O 3.44Å; K200-E233 HydrophobicContact CD-CB 4.04Å; K200-E233 HydrophobicContact CD-CG 3.86Å; K200-E233 WeakPolarHBondContact CD-OE1 3.11Å; K200-E233 IonicContact NZ-OE1 3.73Å; K200-E233 PolarHBondContact NZ-OE1 3.31Å; K200-S261 VanDerWaalsContact NZ-CB 3.3Å; K200-S261 PolarHBondContact NZ-OG 3.4Å
201	A	98.7	Very high	98.5	Very high	3 Å²	3	20.4 Å²	20.4	3%	0.025	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	159.3	170.7	0	0	0	0	0	111.3	L210 F212 E233 V234 E235	A201-L210 HydrophobicContact CB-CB 3.83Å; A201-L210 HydrophobicContact CB-CD1 4.01Å; A201-L210 HydrophobicContact CB-CD2 4.22Å; A201-L210 HydrophobicContact CB-CG 4.24Å; A201-F212 HydrophobicContact CB-CD1 3.8Å; A201-F212 HydrophobicContact CB-CE1 3.77Å; A201-E233 PolarHBondContact N-O 2.85Å; A201-V234 HydrophobicContact CB-CG1 4.26Å; A201-V234 WeakPolarHBondContact O-CA 3.4Å; A201-E235 PolarHBondContact O-N 3.49Å
202	W	98.6	Very high	98.5	Very high	94 Å²	94	19.7 Å²	19.7	36%	0.356	9%	0.094	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	-50.4	176	173.6	44.2	0	0	0	110.2	V211 R213 E235 E236	W202-V211 WeakPolarHBondContact CB-O 3.26Å; W202-V211 HydrophobicContact CE3-CG1 4.23Å; W202-V211 PolarHBondContact N-O 3.36Å; W202-R213 HydrophobicContact CB-CB 3.6Å; W202-R213 HydrophobicContact CD2-CB 4.32Å; W202-R213 HydrophobicContact CE3-CB 4.48Å; W202-R213 HydrophobicContact CG-CB 3.97Å; W202-R213 HydrophobicContact CG-CG 4.49Å; W202-E235 WeakPolarHBondContact O-CB 3.44Å; W202-E235 PolarHBondContact O-N 3.11Å; W202-E236 PolarHBondContact O-N 2.95Å
203	K	98.6	Very high	98.5	Very high	51 Å²	51	22.1 Å²	22.1	22%	0.222	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	149.8	173.5	-46.2	-165.6	179.6	-161.2	0	110.6	L210 V211 E236 I243	K203-L210 WeakPolarHBondContact O-CA 3.19Å; K203-V211 HydrophobicContact CB-CB 4.15Å; K203-V211 HydrophobicContact CB-CG2 4.39Å; K203-V211 PolarHBondContact N-O 3.11Å; K203-V211 PolarHBondContact O-N 2.97Å; K203-E236 WeakPolarHBondContact CA-O 3.35Å; K203-E236 HydrophobicContact CB-CB 4.4Å; K203-E236 WeakPolarHBondContact CD-OE2 3.38Å; K203-E236 WeakPolarHBondContact CE-OE2 3.42Å; K203-E236 HydrophobicContact CG-CB 4.07Å; K203-E236 IonicContact NZ-OE1 3.78Å; K203-E236 IonicContact NZ-OE2 3.96Å; K203-E236 PolarHBondContact NZ-OE2 2.99Å; K203-E236 VanDerWaalsContact NZ-OE2 3.1Å; K203-I243 HydrophobicContact CB-CD1 4.29Å
204	G	98.7	Very high	98.5	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	147.4	160.1	0	0	0	0	0	112.1	N209 E236 L237 C238	G204-N209 CarbonylContact C-O 3.6Å; G204-N209 WeakPolarHBondContact CA-O 3.39Å; G204-E236 PolarHBondContact N-O 3.32Å; G204-L237 WeakPolarHBondContact O-CA 3.14Å; G204-L237 WeakPolarHBondContact O-CD1 3.42Å; G204-C238 PolarHBondContact O-N 3.42Å
205	D	98.1	Very high	98.4	Very high	3 Å²	3	20.8 Å²	20.8	2%	0.016	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	169	174.7	73.4	16.8	0	0	0	112.1	A207 G208 N209 C238 I243	D205-A207 PolarHBondContact O-N 3.12Å; D205-A207 VanDerWaalsContact O-N 3.14Å; D205-A207 VanDerWaalsContact OD1-CA 3.3Å; D205-A207 WeakPolarHBondContact OD1-CA 3.08Å; D205-A207 WeakPolarHBondContact OD1-CB 3.47Å; D205-A207 PolarHBondContact OD1-N 2.64Å; D205-G208 PolarHBondContact O-N 2.78Å; D205-G208 PolarHBondContact OD1-N 2.94Å; D205-N209 PolarHBondContact N-O 3.45Å; D205-N209 PolarHBondContact OD1-N 2.8Å; D205-N209 PolarHBondContact OD1-ND2 3.05Å; D205-N209 PolarHBondContact OD2-ND2 3.35Å; D205-C238 WeakPolarHBondContact CA-O 3.16Å; D205-C238 HydrophobicContact CB-CB 4.49Å; D205-I243 HydrophobicContact CB-CD1 4.03Å
206	K	97.8	Very high	98.4	Very high	38 Å²	38	18.8 Å²	18.8	17%	0.165	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-10.4	177.1	-62.4	-177.3	-171.8	179.3	0	114.3	S29 K30 E31 L237 C238 E239 V240	S29-K206 CarbonylContact C-O 3.59Å; S29-K206 WeakPolarHBondContact CA-O 3.38Å; K30-K206 PolarHBondContact N-O 3.39Å; E31-K206 HydrophobicContact CB-CG 4.28Å; E31-K206 WeakPolarHBondContact OE2-CD 3.38Å; E31-K206 WeakPolarHBondContact OE2-CE 3.25Å; E31-K206 IonicContact OE2-NZ 2.97Å; E31-K206 PolarHBondContact OE2-NZ 3.05Å; K206-L237 HydrophobicContact CG-CD1 4.43Å; K206-C238 PolarHBondContact N-O 2.55Å; K206-E239 WeakPolarHBondContact CD-OE2 3.2Å; K206-E239 VanDerWaalsContact CE-CD 3.5Å; K206-E239 VanDerWaalsContact CE-OE1 3.22Å; K206-E239 WeakPolarHBondContact CE-OE1 3.38Å; K206-E239 VanDerWaalsContact CE-OE2 3.26Å; K206-E239 WeakPolarHBondContact CE-OE2 3.23Å; K206-E239 IonicContact NZ-OE1 3.67Å; K206-E239 PolarHBondContact NZ-OE1 3.27Å; K206-E239 IonicContact NZ-OE2 3.89Å; K206-E239 PolarHBondContact NZ-OE2 2.96Å; K206-V240 HydrophobicContact CB-CG2 4.03Å
207	A	96.7	Very high	98.4	Very high	1 Å²	1	20.6 Å²	20.6	1%	0.008	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-10.4	171.3	0	0	0	0	0	112.3	Y27 K30 D205 V240	Y27-A207 HydrophobicContact CD1-CB 3.88Å; Y27-A207 HydrophobicContact CD2-CB 4.02Å; Y27-A207 HydrophobicContact CG-CB 3.57Å; K30-A207 WeakPolarHBondContact CD-O 3.41Å; K30-A207 VanDerWaalsContact CE-O 3.29Å; K30-A207 WeakPolarHBondContact CE-O 3.24Å; K30-A207 PolarHBondContact NZ-O 2.67Å; D205-A207 PolarHBondContact O-N 3.12Å; D205-A207 VanDerWaalsContact O-N 3.14Å; D205-A207 VanDerWaalsContact OD1-CA 3.3Å; D205-A207 WeakPolarHBondContact OD1-CA 3.08Å; D205-A207 WeakPolarHBondContact OD1-CB 3.47Å; D205-A207 PolarHBondContact OD1-N 2.64Å; A207-V240 HydrophobicContact CB-CG1 4.39Å; A207-V240 HydrophobicContact CB-CG2 3.91Å
208	G	98.1	Very high	98.3	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	9%	0.09	C	C	.	.			trans	94.1	7.8	178.6	0	0	0	0	0	114.2	D205 L210 G252 V255	D205-G208 PolarHBondContact O-N 2.78Å; D205-G208 PolarHBondContact OD1-N 2.94Å; G208-L210 PolarHBondContact O-N 2.75Å; G208-G252 VanDerWaalsContact O-CA 3.26Å; G208-G252 WeakPolarHBondContact O-CA 3.47Å; G208-V255 WeakPolarHBondContact O-CB 3.44Å; G208-V255 VanDerWaalsContact O-CG2 3.23Å; G208-V255 WeakPolarHBondContact O-CG2 3.5Å
209	N	98.5	Very high	98.2	Very high	34 Å²	34	20.7 Å²	20.7	18%	0.182	9%	0.09	C	C	.	.			trans	-67.3	130.8	173	-60.5	-51.5	0	0	0	108.7	G204 D205 V248 L250 G252	G204-N209 CarbonylContact C-O 3.6Å; G204-N209 WeakPolarHBondContact CA-O 3.39Å; D205-N209 PolarHBondContact N-O 3.45Å; D205-N209 PolarHBondContact OD1-N 2.8Å; D205-N209 PolarHBondContact OD1-ND2 3.05Å; D205-N209 PolarHBondContact OD2-ND2 3.35Å; N209-V248 HydrophobicContact CB-CG1 3.87Å; N209-V248 HydrophobicContact CB-CG2 3.97Å; N209-L250 WeakPolarHBondContact CA-O 3.17Å; N209-G252 PolarHBondContact OD1-N 2.69Å
210	L	98.9	Very high	98.2	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	146.1	-177.1	-50.9	-177.7	0	0	0	111.8	V199 A201 K203 G208 F212 A232 V234 D249 L250 V255	V199-L210 HydrophobicContact CG2-CD1 4.24Å; A201-L210 HydrophobicContact CB-CB 3.83Å; A201-L210 HydrophobicContact CB-CD1 4.01Å; A201-L210 HydrophobicContact CB-CD2 4.22Å; A201-L210 HydrophobicContact CB-CG 4.24Å; K203-L210 WeakPolarHBondContact O-CA 3.19Å; G208-L210 PolarHBondContact O-N 2.75Å; L210-F212 HydrophobicContact CB-CZ 4.39Å; L210-F212 HydrophobicContact CD1-CE1 4.36Å; L210-F212 HydrophobicContact CD1-CZ 4.17Å; L210-A232 HydrophobicContact CD1-CB 3.71Å; L210-A232 HydrophobicContact CD2-CB 3.86Å; L210-A232 HydrophobicContact CG-CB 4.43Å; L210-V234 HydrophobicContact CD2-CG1 3.82Å; L210-D249 PolarHBondContact O-N 3.17Å; L210-L250 HydrophobicContact CB-CB 4.2Å; L210-L250 HydrophobicContact CD1-CD2 3.87Å; L210-L250 HydrophobicContact CG-CD2 4.42Å; L210-L250 PolarHBondContact N-O 2.89Å; L210-L250 PolarHBondContact O-N 3.43Å; L210-L250 VanDerWaalsContact O-N 3.14Å; L210-V255 HydrophobicContact CD1-CG2 3.78Å; L210-V255 HydrophobicContact CG-CG2 3.96Å
211	V	98.8	Very high	98.2	Very high	18 Å²	18	20.7 Å²	20.7	11%	0.109	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	123.1	167.6	-172.7	0	0	0	0	107.8	W202 K203 I243 D247	W202-V211 WeakPolarHBondContact CB-O 3.26Å; W202-V211 HydrophobicContact CE3-CG1 4.23Å; W202-V211 PolarHBondContact N-O 3.36Å; K203-V211 HydrophobicContact CB-CB 4.15Å; K203-V211 HydrophobicContact CB-CG2 4.39Å; K203-V211 PolarHBondContact N-O 3.11Å; K203-V211 PolarHBondContact O-N 2.97Å; V211-I243 HydrophobicContact CG2-CD1 4.22Å; V211-I243 HydrophobicContact CG2-CG2 3.63Å; V211-D247 WeakPolarHBondContact CG2-O 3.37Å
212	F	98.6	Very high	98.1	Very high	7 Å²	7	20.5 Å²	20.5	3%	0.031	9%	0.089	C	C	.	.			trans	-92.6	164.4	175.1	-57.8	-71.7	0	0	0	110.8	K200 A201 L210 R217 N220 A221 D249 L250	K200-F212 WeakPolarHBondContact O-CD1 3.37Å; K200-F212 VanDerWaalsContact O-CE1 3.31Å; K200-F212 WeakPolarHBondContact O-CE1 3.46Å; A201-F212 HydrophobicContact CB-CD1 3.8Å; A201-F212 HydrophobicContact CB-CE1 3.77Å; L210-F212 HydrophobicContact CB-CZ 4.39Å; L210-F212 HydrophobicContact CD1-CE1 4.36Å; L210-F212 HydrophobicContact CD1-CZ 4.17Å; F212-R217 HydrophobicContact CB-CB 3.62Å; F212-R217 HydrophobicContact CB-CG 3.72Å; F212-R217 HydrophobicContact CD2-CG 3.82Å; F212-R217 HydrophobicContact CG-CB 4.2Å; F212-R217 HydrophobicContact CG-CG 3.95Å; F212-N220 HydrophobicContact CD1-CB 4.03Å; F212-N220 HydrophobicContact CE1-CB 3.47Å; F212-N220 VanDerWaalsContact CE1-CB 3.47Å; F212-N220 HydrophobicContact CZ-CB 3.97Å; F212-A221 HydrophobicContact CE2-CB 3.76Å; F212-A221 HydrophobicContact CZ-CB 4.25Å; F212-D249 HydrophobicContact CD2-CB 3.62Å; F212-D249 HydrophobicContact CE2-CB 4.14Å; F212-D249 PolarHBondContact N-OD2 3.48Å; F212-L250 HydrophobicContact CE2-CB 3.88Å; F212-L250 HydrophobicContact CZ-CB 4.23Å; F212-L250 HydrophobicContact CZ-CD2 4.38Å
213	R	97.9	Very high	98.1	Very high	64 Å²	64	16 Å²	16	24%	0.242	7%	0.073	C	C	.	.			trans	-128.4	124	-176.7	-179.7	174.1	-178	-82	-4.7	110.1	W202 T215 A216 D344 D346	W202-R213 HydrophobicContact CB-CB 3.6Å; W202-R213 HydrophobicContact CD2-CB 4.32Å; W202-R213 HydrophobicContact CE3-CB 4.48Å; W202-R213 HydrophobicContact CG-CB 3.97Å; W202-R213 HydrophobicContact CG-CG 4.49Å; R213-T215 PolarHBondContact O-N 3.06Å; R213-A216 VanDerWaalsContact O-CB 3.3Å; R213-A216 WeakPolarHBondContact O-CB 3.18Å; R213-A216 PolarHBondContact O-N 3Å; R213-A216 VanDerWaalsContact O-N 3.09Å; R213-D344 IonicContact CZ-OD1 2.71Å; R213-D344 IonicContact CZ-OD2 3.77Å; R213-D344 VanDerWaalsContact NH1-CG 3.27Å; R213-D344 IonicContact NH1-OD1 3.27Å; R213-D344 PolarHBondContact NH1-OD1 2.61Å; R213-D344 IonicContact NH1-OD2 2.74Å; R213-D344 PolarHBondContact NH1-OD2 3.32Å; R213-D344 IonicContact NH2-OD1 2.61Å; R213-D344 IonicContact NH2-OD2 3.97Å; R213-D344 PolarHBondContact NH2-OD2 3.03Å; R213-D346 IonicContact CZ-OD2 3.16Å; R213-D346 IonicContact NH1-OD2 2.94Å; R213-D346 PolarHBondContact NH1-OD2 3.31Å
214	K	98.3	Very high	98.1	Very high	52 Å²	52	13.7 Å²	13.7	23%	0.226	6%	0.062	C	C	.	.	G	3₁₀ helix	trans	52.2	-136.4	171.1	-57.6	-176.1	179.6	-173.8	0	111.9	A216 R217 D344 D346 L347 Y363	K214-A216 VanDerWaalsContact C-N 3.25Å; K214-A216 PolarHBondContact O-N 3.14Å; K214-R217 WeakPolarHBondContact O-CB 3.32Å; K214-R217 PolarHBondContact O-N 3.13Å; K214-D344 WeakPolarHBondContact CE-OD2 3.43Å; K214-D344 IonicContact NZ-OD2 3.73Å; K214-D344 PolarHBondContact NZ-OD2 3.13Å; K214-D346 HydrophobicContact CB-CB 4.46Å; K214-D346 WeakPolarHBondContact CB-O 3.32Å; K214-L347 HydrophobicContact CB-CD1 4.29Å; K214-L347 HydrophobicContact CD-CB 3.94Å; K214-L347 HydrophobicContact CD-CD1 4.39Å; K214-L347 HydrophobicContact CD-CD2 4.2Å; K214-L347 HydrophobicContact CD-CG 4.4Å; K214-Y363 HydrophobicContact CB-CD1 4.23Å; K214-Y363 HydrophobicContact CB-CD2 4.47Å; K214-Y363 HydrophobicContact CB-CE1 3.93Å; K214-Y363 HydrophobicContact CB-CE2 4.2Å; K214-Y363 HydrophobicContact CB-CG 4.48Å; K214-Y363 HydrophobicContact CG-CD2 4.38Å; K214-Y363 HydrophobicContact CG-CE1 4.27Å; K214-Y363 HydrophobicContact CG-CE2 3.79Å
215	T	98.3	Very high	98.1	Very high	1 Å²	1	16.7 Å²	16.7	1%	0.006	8%	0.076	C	C	.	.	G	3₁₀ helix	trans	-78	-5.8	179.5	55.4	0	0	0	0	113.9	R213 R217 N218 V329 I331 D346 L347 I348 Y363	R213-T215 PolarHBondContact O-N 3.06Å; T215-R217 PolarHBondContact O-N 2.61Å; T215-N218 WeakPolarHBondContact O-CB 3.47Å; T215-N218 PolarHBondContact O-ND2 3.38Å; T215-V329 HydrophobicContact CG2-CG2 3.94Å; T215-I331 HydrophobicContact CG2-CD1 3.47Å; T215-I331 VanDerWaalsContact CG2-CD1 3.47Å; T215-I331 HydrophobicContact CG2-CG1 3.2Å; T215-D346 PolarHBondContact N-O 2.62Å; T215-D346 PolarHBondContact OG1-O 3.49Å; T215-L347 HydrophobicContact CG2-CD1 4.12Å; T215-L347 VanDerWaalsContact OG1-CA 3.3Å; T215-L347 WeakPolarHBondContact OG1-CA 3.44Å; T215-I348 PolarHBondContact OG1-N 2.92Å; T215-Y363 HydrophobicContact CG2-CD1 4.43Å
216	A	97.9	Very high	98.2	Very high	8 Å²	8	16.7 Å²	16.7	7%	0.066	8%	0.076	C	C	.	.	G	3₁₀ helix	trans	-68.4	-10.2	167.9	0	0	0	0	0	112.5	R213 K214 N218 N220 D346	R213-A216 VanDerWaalsContact O-CB 3.3Å; R213-A216 WeakPolarHBondContact O-CB 3.18Å; R213-A216 PolarHBondContact O-N 3Å; R213-A216 VanDerWaalsContact O-N 3.09Å; K214-A216 VanDerWaalsContact C-N 3.25Å; K214-A216 PolarHBondContact O-N 3.14Å; A216-N218 PolarHBondContact O-OD1 3.42Å; A216-N220 PolarHBondContact O-ND2 2.65Å; A216-D346 HydrophobicContact CB-CB 3.78Å; A216-D346 PolarHBondContact N-O 2.85Å
217	R	97.9	Very high	98.2	Very high	54 Å²	54	15.5 Å²	15.5	20%	0.204	7%	0.073	C	C	.	.	S	Bend	trans	-62.8	-50.6	172.3	-173.6	175.7	-70.2	178.4	-3.9	112.3	F212 K214 T215 F219 N220 D249 Y363	F212-R217 HydrophobicContact CB-CB 3.62Å; F212-R217 HydrophobicContact CB-CG 3.72Å; F212-R217 HydrophobicContact CD2-CG 3.82Å; F212-R217 HydrophobicContact CG-CB 4.2Å; F212-R217 HydrophobicContact CG-CG 3.95Å; K214-R217 WeakPolarHBondContact O-CB 3.32Å; K214-R217 PolarHBondContact O-N 3.13Å; T215-R217 PolarHBondContact O-N 2.61Å; R217-F219 PolarHBondContact O-N 3.28Å; R217-N220 WeakPolarHBondContact O-CB 3.45Å; R217-N220 PolarHBondContact O-N 3.14Å; R217-N220 VanDerWaalsContact O-N 3.14Å; R217-D249 IonicContact CZ-OD1 3.51Å; R217-D249 VanDerWaalsContact CZ-OD1 3.25Å; R217-D249 IonicContact CZ-OD2 3.77Å; R217-D249 IonicContact NE-OD1 3.21Å; R217-D249 IonicContact NE-OD2 2.96Å; R217-D249 PolarHBondContact NE-OD2 3.42Å; R217-D249 IonicContact NH1-OD1 2.67Å; R217-D249 IonicContact NH2-OD1 2.64Å; R217-D249 PolarHBondContact NH2-OD1 2.9Å; R217-D249 IonicContact NH2-OD2 3.53Å; R217-D249 PolarHBondContact NH2-OD2 3.03Å; R217-Y363 PolarHBondContact NH1-O 3.08Å
218	N	96.9	Very high	98.3	Very high	1 Å²	1	22.2 Å²	22.2	1%	0.005	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	19.8	-122.1	172.1	60.8	41.2	0	0	0	115.8	G52 L53 C56 T215 A216 N220 S365 S366	G52-N218 WeakPolarHBondContact CA-OD1 3.47Å; G52-N218 PolarHBondContact N-OD1 3.45Å; L53-N218 HydrophobicContact CB-CB 4.49Å; L53-N218 PolarHBondContact N-ND2 3.31Å; C56-N218 PolarHBondContact O-ND2 3.33Å; C56-N218 VanDerWaalsContact O-ND2 3.14Å; T215-N218 WeakPolarHBondContact O-CB 3.47Å; T215-N218 PolarHBondContact O-ND2 3.38Å; A216-N218 PolarHBondContact O-OD1 3.42Å; N218-N220 VanDerWaalsContact C-N 3.33Å; N218-N220 PolarHBondContact OD1-N 3.06Å; N218-N220 PolarHBondContact OD1-ND2 3.49Å; N218-S365 CarbonylContact O-C 3.58Å; N218-S365 VanDerWaalsContact O-CA 3.32Å; N218-S365 WeakPolarHBondContact O-CA 3.33Å; N218-S365 WeakPolarHBondContact O-CB 3.33Å; N218-S366 WeakPolarHBondContact CA-OG 3.29Å; N218-S366 PolarHBondContact O-N 2.69Å; N218-S366 PolarHBondContact O-OG 2.67Å
219	F	98.5	Very high	98.3	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-11	-179.9	-78.9	-87.6	0	0	0	114	S79 Q127 L130 A131 L134 R217 A221 S222 M223 S366	S79-F219 WeakPolarHBondContact OG-CE2 3.35Å; Q127-F219 HydrophobicContact CG-CE2 3.95Å; Q127-F219 HydrophobicContact CG-CZ 3.68Å; L130-F219 HydrophobicContact CD2-CE1 4.18Å; L130-F219 HydrophobicContact CD2-CZ 4.49Å; L130-F219 HydrophobicContact CG-CE1 4.07Å; A131-F219 HydrophobicContact CB-CE1 3.69Å; A131-F219 HydrophobicContact CB-CZ 4.13Å; L134-F219 HydrophobicContact CD1-CD1 3.86Å; L134-F219 HydrophobicContact CD1-CE1 4.24Å; R217-F219 PolarHBondContact O-N 3.28Å; F219-A221 VanDerWaalsContact C-N 3.33Å; F219-A221 PolarHBondContact O-N 2.85Å; F219-S222 PolarHBondContact O-N 3.05Å; F219-M223 HydrophobicContact CB-CE 3.97Å; F219-M223 HydrophobicContact CB-CG 4.38Å; F219-M223 HydrophobicContact CB-SD 4.23Å; F219-M223 HydrophobicContact CD1-CE 4.01Å; F219-M223 HydrophobicContact CG-CE 4.21Å; F219-M223 WeakPolarHBondContact O-CB 3.45Å; F219-M223 WeakPolarHBondContact O-CG 3.49Å; F219-M223 PolarHBondContact O-N 3.25Å; F219-S366 WeakPolarHBondContact CD2-OG 3.4Å; F219-S366 WeakPolarHBondContact CE2-OG 3.4Å; F219-S366 PolarHBondContact N-OG 2.83Å
220	N	98.7	Very high	98.4	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-56.9	-45.3	-175	-79.3	-58.6	0	0	0	112.1	G51 G52 G57 V199 K200 F212 A216 R217 N218 A224	G51-N220 WeakPolarHBondContact CA-OD1 3.41Å; G52-N220 PolarHBondContact N-ND2 3.02Å; G52-N220 PolarHBondContact N-OD1 3.04Å; G57-N220 PolarHBondContact O-ND2 3.4Å; V199-N220 WeakPolarHBondContact CA-OD1 3.43Å; V199-N220 HydrophobicContact CB-CB 4.15Å; V199-N220 WeakPolarHBondContact CB-OD1 3.41Å; V199-N220 WeakPolarHBondContact CG1-O 3.2Å; K200-N220 PolarHBondContact N-OD1 3.32Å; K200-N220 PolarHBondContact O-ND2 2.95Å; F212-N220 HydrophobicContact CD1-CB 4.03Å; F212-N220 HydrophobicContact CE1-CB 3.47Å; F212-N220 VanDerWaalsContact CE1-CB 3.47Å; F212-N220 HydrophobicContact CZ-CB 3.97Å; A216-N220 PolarHBondContact O-ND2 2.65Å; R217-N220 WeakPolarHBondContact O-CB 3.45Å; R217-N220 PolarHBondContact O-N 3.14Å; R217-N220 VanDerWaalsContact O-N 3.14Å; N218-N220 VanDerWaalsContact C-N 3.33Å; N218-N220 PolarHBondContact OD1-N 3.06Å; N218-N220 PolarHBondContact OD1-ND2 3.49Å; N220-A224 WeakPolarHBondContact O-CB 3.3Å; N220-A224 PolarHBondContact O-N 3.35Å
221	A	97.5	Very high	98.4	Very high	5 Å²	5	22.1 Å²	22.1	4%	0.041	10%	0.103	C	C	.	.	H	α-helix	trans	-64.8	-48.5	-180	0	0	0	0	0	112.8	F212 F219 A224 K225	F212-A221 HydrophobicContact CE2-CB 3.76Å; F212-A221 HydrophobicContact CZ-CB 4.25Å; F219-A221 VanDerWaalsContact C-N 3.33Å; F219-A221 PolarHBondContact O-N 2.85Å; A221-A224 PolarHBondContact O-N 2.86Å; A221-K225 WeakPolarHBondContact O-CG 3.49Å; A221-K225 PolarHBondContact O-N 2.88Å
222	S	97.4	Very high	98.4	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-69.2	-36.7	-176.1	-18.5	0	0	0	0	111.4	F219 K225 A226 D367	F219-S222 PolarHBondContact O-N 3.05Å; S222-K225 PolarHBondContact O-N 3.08Å; S222-A226 WeakPolarHBondContact O-CB 3.35Å; S222-A226 PolarHBondContact O-N 2.86Å; S222-D367 PolarHBondContact OG-OD1 2.65Å
223	M	98.7	Very high	98.4	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-70.2	-38.3	176.6	-71.3	-172.1	179.3	0	0	113	L49 V50 G51 V77 L134 A197 V199 F219 K225 A226	L49-M223 HydrophobicContact CB-CB 4.01Å; L49-M223 HydrophobicContact CB-CG 4.04Å; L49-M223 HydrophobicContact CB-SD 3.96Å; L49-M223 HydrophobicContact CD1-CB 4.41Å; V50-M223 PolarHBondContact N-SD 2.84Å; G51-M223 VanDerWaalsContact CA-SD 3.52Å; G51-M223 PolarHBondContact N-SD 3.04Å; V77-M223 HydrophobicContact CG1-CE 4.41Å; L134-M223 HydrophobicContact CD1-CE 3.74Å; L134-M223 HydrophobicContact CD1-CG 3.68Å; L134-M223 HydrophobicContact CD2-CG 4.18Å; A197-M223 WeakPolarHBondContact CB-O 3.38Å; V199-M223 HydrophobicContact CG1-CB 4.32Å; F219-M223 HydrophobicContact CB-CE 3.97Å; F219-M223 HydrophobicContact CB-CG 4.38Å; F219-M223 HydrophobicContact CB-SD 4.23Å; F219-M223 HydrophobicContact CD1-CE 4.01Å; F219-M223 HydrophobicContact CG-CE 4.21Å; F219-M223 WeakPolarHBondContact O-CB 3.45Å; F219-M223 WeakPolarHBondContact O-CG 3.49Å; F219-M223 PolarHBondContact O-N 3.25Å; M223-K225 PolarHBondContact O-N 2.82Å; M223-A226 PolarHBondContact O-N 2.78Å
224	A	98.8	Very high	98.4	Very high	1 Å²	1	17.9 Å²	17.9	1%	0.008	8%	0.084	C	C	.	.	H	α-helix	trans	-57.9	-39.4	174.6	0	0	0	0	0	112	V199 N220 A221 C230 L250	V199-A224 HydrophobicContact CG1-CB 4.05Å; V199-A224 HydrophobicContact CG2-CB 4.33Å; N220-A224 WeakPolarHBondContact O-CB 3.3Å; N220-A224 PolarHBondContact O-N 3.35Å; A221-A224 PolarHBondContact O-N 2.86Å; A224-C230 HydrophobicContact CB-CB 4.49Å; A224-C230 VanDerWaalsContact CB-SG 3.55Å; A224-L250 HydrophobicContact CB-CD2 3.4Å
225	K	98.7	Very high	98.4	Very high	64 Å²	64	17.2 Å²	17.2	28%	0.278	8%	0.082	S	C	.	.	H	α-helix	trans	-71.4	-30.5	179.5	-63.8	168.9	-173.3	176	0	112.7	G138 A221 S222 M223 L250 Y254	G138-K225 WeakPolarHBondContact CA-O 3.19Å; A221-K225 WeakPolarHBondContact O-CG 3.49Å; A221-K225 PolarHBondContact O-N 2.88Å; S222-K225 PolarHBondContact O-N 3.08Å; M223-K225 PolarHBondContact O-N 2.82Å; K225-L250 HydrophobicContact CD-CD1 4.25Å; K225-L250 HydrophobicContact CG-CD1 3.85Å; K225-Y254 HydrophobicContact CB-CD1 4.01Å; K225-Y254 HydrophobicContact CB-CE1 4.17Å; K225-Y254 HydrophobicContact CB-CG 4.41Å; K225-Y254 HydrophobicContact CG-CD1 3.83Å; K225-Y254 HydrophobicContact CG-CD2 3.95Å; K225-Y254 HydrophobicContact CG-CE1 3.97Å; K225-Y254 HydrophobicContact CG-CE2 4.09Å; K225-Y254 HydrophobicContact CG-CG 3.81Å
226	A	98.7	Very high	98.4	Very high	3 Å²	3	20.8 Å²	20.8	3%	0.025	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91	4.2	-170.4	0	0	0	0	0	114.9	L49 L134 N193 G194 S222 M223	L49-A226 HydrophobicContact CD1-CB 3.77Å; L134-A226 HydrophobicContact CB-CB 4.26Å; L134-A226 HydrophobicContact CD2-CB 3.95Å; L134-A226 WeakPolarHBondContact O-CB 3.29Å; N193-A226 CarbonylContact C-O 3.51Å; N193-A226 WeakPolarHBondContact CA-O 3.4Å; G194-A226 PolarHBondContact N-O 3.26Å; S222-A226 WeakPolarHBondContact O-CB 3.35Å; S222-A226 PolarHBondContact O-N 2.86Å; M223-A226 PolarHBondContact O-N 2.78Å
227	A	98.8	Very high	98.4	Very high	13 Å²	13	21.8 Å²	21.8	11%	0.107	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	149.9	-178.9	0	0	0	0	0	113.5	L49 G194 A197 V229	L49-A227 HydrophobicContact CD1-CB 4.06Å; G194-A227 VanDerWaalsContact O-CA 3.32Å; G194-A227 WeakPolarHBondContact O-CA 3.27Å; A197-A227 HydrophobicContact CB-CB 3.41Å; A197-A227 VanDerWaalsContact CB-CB 3.41Å; A227-V229 VanDerWaalsContact C-N 3.33Å
228	K	98.6	Very high	98.4	Very high	142 Å²	142	19.6 Å²	19.6	62%	0.617	10%	0.096	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-65.3	-37.2	172.9	-59.4	172.2	-172.7	156.8	0	111.9	G194 D195 H256	G194-K228 PolarHBondContact O-N 3.18Å; D195-K228 WeakPolarHBondContact O-CB 3.33Å; D195-K228 IonicContact OD1-NZ 3.47Å; D195-K228 PolarHBondContact OD1-NZ 3.09Å; K228-H256 PolarHBondContact O-CE1 3.47Å; K228-H256 VanDerWaalsContact O-CE1 3.22Å; K228-H256 PolarHBondContact O-NE2 3.32Å; K228-H256 VanDerWaalsContact O-NE2 3.16Å
229	V	98.8	Very high	98.3	Very high	31 Å²	31	25 Å²	25	19%	0.188	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	109.6	176.5	-178.2	0	0	0	0	109.9	D195 F196 A197 A227 I231 H256	D195-V229 PolarHBondContact O-N 3.22Å; F196-V229 CarbonylContact C-O 3.56Å; F196-V229 WeakPolarHBondContact CA-O 3.47Å; F196-V229 HydrophobicContact CD1-CB 3.69Å; F196-V229 HydrophobicContact CD1-CG1 3.78Å; F196-V229 HydrophobicContact CE1-CB 3.75Å; F196-V229 HydrophobicContact CE1-CG1 3.69Å; F196-V229 HydrophobicContact CE1-CG2 4.23Å; F196-V229 HydrophobicContact CG-CB 4.37Å; F196-V229 HydrophobicContact CZ-CB 4.46Å; A197-V229 PolarHBondContact N-O 3.32Å; A227-V229 VanDerWaalsContact C-N 3.33Å; V229-I231 HydrophobicContact CG1-CG1 4.34Å; V229-H256 HydrophobicContact CG1-CB 4.01Å
230	C	98.9	Very high	98.2	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	127.6	173.2	177.6	0	0	0	0	111	A197 A224 Y254 H256 R257	A197-C230 HydrophobicContact CB-CB 4.4Å; A197-C230 WeakPolarHBondContact O-CA 3.35Å; A224-C230 HydrophobicContact CB-CB 4.49Å; A224-C230 VanDerWaalsContact CB-SG 3.55Å; C230-Y254 WeakPolarHBondContact CB-O 3.34Å; C230-H256 PolarHBondContact N-ND1 3.34Å; C230-H256 WeakPolarHBondContact O-CA 3.5Å; C230-H256 WeakPolarHBondContact O-CB 3.32Å; C230-H256 PolarHBondContact O-N 3.19Å; C230-R257 PolarHBondContact O-N 2.97Å
231	I	98.9	Very high	97.9	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	112.6	174.4	-46.5	-170.6	0	0	0	107.8	A38 V39 L62 F196 A197 F198 V199 V229 R257	A38-I231 HydrophobicContact CB-CD1 4.49Å; A38-I231 HydrophobicContact CB-CG2 3.92Å; A38-I231 WeakPolarHBondContact O-CD1 3.38Å; V39-I231 HydrophobicContact CG1-CD1 4.33Å; L62-I231 HydrophobicContact CD1-CB 4.07Å; L62-I231 HydrophobicContact CD1-CG2 3.68Å; L62-I231 WeakPolarHBondContact CD1-O 3.41Å; L62-I231 HydrophobicContact CD2-CG2 3.61Å; L62-I231 HydrophobicContact CG-CG2 4.34Å; F196-I231 HydrophobicContact CD1-CD1 4.27Å; A197-I231 PolarHBondContact O-N 3.36Å; F198-I231 WeakPolarHBondContact CA-O 3.38Å; F198-I231 HydrophobicContact CD1-CB 4.07Å; F198-I231 HydrophobicContact CD1-CD1 4.25Å; F198-I231 HydrophobicContact CD1-CG1 4.29Å; F198-I231 HydrophobicContact CE1-CB 4.42Å; F198-I231 HydrophobicContact CE1-CD1 3.74Å; F198-I231 HydrophobicContact CE1-CG1 4.25Å; V199-I231 PolarHBondContact N-O 2.68Å; V199-I231 VanDerWaalsContact N-O 3.07Å; V229-I231 HydrophobicContact CG1-CG1 4.34Å; I231-R257 WeakPolarHBondContact CA-O 3.49Å; I231-R257 HydrophobicContact CB-CB 4.32Å; I231-R257 HydrophobicContact CG1-CB 4.18Å; I231-R257 HydrophobicContact CG1-CG 4.33Å; I231-R257 HydrophobicContact CG2-CB 3.98Å
232	A	98.9	Very high	97.8	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	120.2	179.7	0	0	0	0	0	110.4	V199 L210 V234 V255 R257 V258 V259	V199-A232 HydrophobicContact CG2-CB 3.92Å; V199-A232 WeakPolarHBondContact O-CA 3.31Å; L210-A232 HydrophobicContact CD1-CB 3.71Å; L210-A232 HydrophobicContact CD2-CB 3.86Å; L210-A232 HydrophobicContact CG-CB 4.43Å; A232-V234 HydrophobicContact CB-CG1 4.23Å; A232-V255 HydrophobicContact CB-CG1 3.84Å; A232-R257 PolarHBondContact N-O 3.41Å; A232-V258 CarbonylContact O-C 3.57Å; A232-V258 WeakPolarHBondContact O-CA 3.25Å; A232-V259 PolarHBondContact O-N 2.83Å
233	E	98.8	Very high	97.9	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	122.3	164.6	-175	-178.8	132.3	0	0	108.5	P59 S60 D61 L62 V199 K200 A201 V259 S261	P59-E233 WeakPolarHBondContact CA-OE2 3.32Å; P59-E233 HydrophobicContact CB-CB 4.2Å; S60-E233 PolarHBondContact N-OE2 3.04Å; D61-E233 WeakPolarHBondContact CB-OE2 3.44Å; D61-E233 PolarHBondContact N-OE2 2.88Å; L62-E233 HydrophobicContact CD1-CB 3.88Å; L62-E233 HydrophobicContact CG-CB 4.16Å; L62-E233 PolarHBondContact N-OE2 2.93Å; L62-E233 VanDerWaalsContact N-OE2 3.14Å; V199-E233 PolarHBondContact O-N 2.88Å; K200-E233 CarbonylContact C-O 3.51Å; K200-E233 WeakPolarHBondContact CA-O 3.44Å; K200-E233 HydrophobicContact CD-CB 4.04Å; K200-E233 HydrophobicContact CD-CG 3.86Å; K200-E233 WeakPolarHBondContact CD-OE1 3.11Å; K200-E233 IonicContact NZ-OE1 3.73Å; K200-E233 PolarHBondContact NZ-OE1 3.31Å; A201-E233 PolarHBondContact N-O 2.85Å; E233-V259 WeakPolarHBondContact CA-O 3.46Å; E233-V259 HydrophobicContact CB-CG2 4.31Å; E233-S261 PolarHBondContact OE1-OG 3Å; E233-S261 VanDerWaalsContact OE1-OG 3.13Å
234	V	98.7	Very high	97.8	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	135.7	-174.9	-53.5	0	0	0	0	111.1	A201 L210 A232 L237 V258 V259 R260 S261	A201-V234 HydrophobicContact CB-CG1 4.26Å; A201-V234 WeakPolarHBondContact O-CA 3.4Å; L210-V234 HydrophobicContact CD2-CG1 3.82Å; A232-V234 HydrophobicContact CB-CG1 4.23Å; V234-L237 HydrophobicContact CG2-CB 3.84Å; V234-L237 HydrophobicContact CG2-CD1 3.98Å; V234-L237 HydrophobicContact CG2-CG 4.47Å; V234-V258 HydrophobicContact CB-CG1 4.38Å; V234-V258 HydrophobicContact CG1-CG1 3.76Å; V234-V258 HydrophobicContact CG2-CG1 3.64Å; V234-V259 PolarHBondContact N-O 3.43Å; V234-R260 CarbonylContact O-C 3.54Å; V234-R260 WeakPolarHBondContact O-CA 3.42Å; V234-S261 WeakPolarHBondContact O-CB 3.17Å; V234-S261 PolarHBondContact O-N 3.44Å
235	E	98.3	Very high	97.8	Very high	39 Å²	39	45.1 Å²	45.1	18%	0.182	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	-45.8	178.7	-57.9	175.9	-168.5	0	0	111.1	A201 W202 K265	A201-E235 PolarHBondContact O-N 3.49Å; W202-E235 WeakPolarHBondContact O-CB 3.44Å; W202-E235 PolarHBondContact O-N 3.11Å; E235-K265 WeakPolarHBondContact OE1-CD 3.38Å; E235-K265 VanDerWaalsContact OE1-CE 3.31Å; E235-K265 WeakPolarHBondContact OE1-CE 3.33Å; E235-K265 IonicContact OE1-NZ 3.99Å; E235-K265 PolarHBondContact OE1-NZ 3.39Å; E235-K265 IonicContact OE2-NZ 3.11Å; E235-K265 PolarHBondContact OE2-NZ 3.03Å
236	E	98.1	Very high	97.7	Very high	75 Å²	75	49.5 Å²	49.5	35%	0.35	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	106.5	173.7	-164.5	-173.6	150.5	0	0	109.6	W202 K203 G204	W202-E236 PolarHBondContact O-N 2.95Å; K203-E236 WeakPolarHBondContact CA-O 3.35Å; K203-E236 HydrophobicContact CB-CB 4.4Å; K203-E236 WeakPolarHBondContact CD-OE2 3.38Å; K203-E236 WeakPolarHBondContact CE-OE2 3.42Å; K203-E236 HydrophobicContact CG-CB 4.07Å; K203-E236 IonicContact NZ-OE1 3.78Å; K203-E236 IonicContact NZ-OE2 3.96Å; K203-E236 PolarHBondContact NZ-OE2 2.99Å; K203-E236 VanDerWaalsContact NZ-OE2 3.1Å; G204-E236 PolarHBondContact N-O 3.32Å
237	L	98.3	Very high	97.7	Very high	30 Å²	30	54.3 Å²	54.3	16%	0.157	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	117.5	171.7	-179.2	59.3	0	0	0	109.6	E31 G204 K206 V234 V258 R260	E31-L237 HydrophobicContact CG-CD2 3.83Å; E31-L237 VanDerWaalsContact OE1-CD2 3.27Å; E31-L237 WeakPolarHBondContact OE1-CD2 3.45Å; G204-L237 WeakPolarHBondContact O-CA 3.14Å; G204-L237 WeakPolarHBondContact O-CD1 3.42Å; K206-L237 HydrophobicContact CG-CD1 4.43Å; V234-L237 HydrophobicContact CG2-CB 3.84Å; V234-L237 HydrophobicContact CG2-CD1 3.98Å; V234-L237 HydrophobicContact CG2-CG 4.47Å; L237-V258 HydrophobicContact CD1-CB 4.46Å; L237-V258 HydrophobicContact CD1-CG1 3.61Å; L237-R260 HydrophobicContact CB-CB 4.29Å; L237-R260 HydrophobicContact CB-CG 4.44Å; L237-R260 HydrophobicContact CD2-CB 4.29Å
238	C	96.8	Very high	97.7	Very high	8 Å²	8	55.3 Å²	55.3	5%	0.054	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	158.3	-174	-50.4	0	0	0	0	112.6	G204 D205 K206 T242	G204-C238 PolarHBondContact O-N 3.42Å; D205-C238 WeakPolarHBondContact CA-O 3.16Å; D205-C238 HydrophobicContact CB-CB 4.49Å; K206-C238 PolarHBondContact N-O 2.55Å; C238-T242 HydrophobicContact CB-CG2 3.98Å
239	E	96	Very high	97.7	Very high	114 Å²	114	51 Å²	51	53%	0.533	30%	0.295	S	S	.	.			trans	-70.6	153.1	166	-62.5	-59	152.4	0	0	110.9	K206 G241 T242	K206-E239 WeakPolarHBondContact CD-OE2 3.2Å; K206-E239 VanDerWaalsContact CE-CD 3.5Å; K206-E239 VanDerWaalsContact CE-OE1 3.22Å; K206-E239 WeakPolarHBondContact CE-OE1 3.38Å; K206-E239 VanDerWaalsContact CE-OE2 3.26Å; K206-E239 WeakPolarHBondContact CE-OE2 3.23Å; K206-E239 IonicContact NZ-OE1 3.67Å; K206-E239 PolarHBondContact NZ-OE1 3.27Å; K206-E239 IonicContact NZ-OE2 3.89Å; K206-E239 PolarHBondContact NZ-OE2 2.96Å; E239-G241 PolarHBondContact O-N 3.45Å; E239-T242 VanDerWaalsContact O-CB 3.28Å; E239-T242 WeakPolarHBondContact O-CB 3.47Å; E239-T242 PolarHBondContact O-N 2.93Å; E239-T242 VanDerWaalsContact O-N 3.13Å; E239-T242 PolarHBondContact O-OG1 3.39Å
240	V	95.2	Very high	97.7	Very high	62 Å²	62	49.5 Å²	49.5	38%	0.376	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58	131.6	175.6	-179.4	0	0	0	0	110.2	Y27 K206 A207	Y27-V240 HydrophobicContact CD2-CG1 4.08Å; K206-V240 HydrophobicContact CB-CG2 4.03Å; A207-V240 HydrophobicContact CB-CG1 4.39Å; A207-V240 HydrophobicContact CB-CG2 3.91Å
241	G	92	Very high	97.7	Very high	69 Å²	69	52.5 Å²	52.5	71%	0.711	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.7	0.3	-177.4	0	0	0	0	0	114.9	E239	E239-G241 PolarHBondContact O-N 3.45Å
242	T	97.1	Very high	97.6	Very high	86 Å²	86	52.8 Å²	52.8	53%	0.528	31%	0.308	S	S	.	.	S	Bend	trans	-76.2	-36.1	173.7	-51.9	0	0	0	0	112.3	C238 E239	C238-T242 HydrophobicContact CB-CG2 3.98Å; E239-T242 VanDerWaalsContact O-CB 3.28Å; E239-T242 WeakPolarHBondContact O-CB 3.47Å; E239-T242 PolarHBondContact O-N 2.93Å; E239-T242 VanDerWaalsContact O-N 3.13Å; E239-T242 PolarHBondContact O-OG1 3.39Å
243	I	97.7	Very high	97.5	Very high	17 Å²	17	59.1 Å²	59.1	9%	0.087	34%	0.341	C	S	.	.	S	Bend	trans	-86	128.1	179.6	-58.4	169.8	0	0	0	107.9	K203 D205 V211 D247 V248	K203-I243 HydrophobicContact CB-CD1 4.29Å; D205-I243 HydrophobicContact CB-CD1 4.03Å; V211-I243 HydrophobicContact CG2-CD1 4.22Å; V211-I243 HydrophobicContact CG2-CG2 3.63Å; I243-D247 HydrophobicContact CG2-CB 4.34Å; I243-V248 HydrophobicContact CG2-CG2 3.78Å
244	D	98	Very high	97.5	Very high	88 Å²	88	63 Å²	63	47%	0.471	36%	0.356	S	S	.	.			trans	-63.1	133.5	173.3	-167	-62.7	0	0	0	109.6	D246 D247	D244-D246 PolarHBondContact O-N 3.36Å; D244-D246 VanDerWaalsContact O-N 3.16Å; D244-D246 PolarHBondContact OD1-N 3.25Å; D244-D247 HydrophobicContact CB-CB 4.36Å; D244-D247 WeakPolarHBondContact O-CB 3.22Å; D244-D247 PolarHBondContact O-N 2.93Å
245	P	97.5	Very high	97.5	Very high	106 Å²	106	63 Å²	63	69%	0.688	36%	0.356	S	S	*	.	G	3₁₀ helix	trans	-52.3	-33.6	178.2	-28.8	36.3	0	0	0	115.1	D247 V248	P245-D247 VanDerWaalsContact C-N 3.27Å; P245-D247 PolarHBondContact O-N 3.2Å; P245-V248 PolarHBondContact O-N 3.27Å
246	D	98.3	Very high	97.5	Very high	157 Å²	157	65 Å²	65	84%	0.84	37%	0.365	S	S	*	.	G	3₁₀ helix	trans	-74.9	-16.9	179.2	-77.1	-18.5	0	0	0	112.8	D244	D244-D246 PolarHBondContact O-N 3.36Å; D244-D246 VanDerWaalsContact O-N 3.16Å; D244-D246 PolarHBondContact OD1-N 3.25Å
247	D	98.1	Very high	97.5	Very high	103 Å²	103	62.8 Å²	62.8	55%	0.551	35%	0.354	S	S	*	.	G	3₁₀ helix	trans	-89.1	-6.9	176.4	-70.4	-29	0	0	0	112.9	V211 I243 D244 P245 D249	V211-D247 WeakPolarHBondContact CG2-O 3.37Å; I243-D247 HydrophobicContact CG2-CB 4.34Å; D244-D247 HydrophobicContact CB-CB 4.36Å; D244-D247 WeakPolarHBondContact O-CB 3.22Å; D244-D247 PolarHBondContact O-N 2.93Å; P245-D247 VanDerWaalsContact C-N 3.27Å; P245-D247 PolarHBondContact O-N 3.2Å; D247-D249 PolarHBondContact O-N 2.88Å
248	V	98.5	Very high	97.6	Very high	34 Å²	34	61.3 Å²	61.3	21%	0.206	35%	0.346	C	S	.	.			trans	-74.6	107.4	-176.9	177.9	0	0	0	0	111	N209 I243 P245 L250	N209-V248 HydrophobicContact CB-CG1 3.87Å; N209-V248 HydrophobicContact CB-CG2 3.97Å; I243-V248 HydrophobicContact CG2-CG2 3.78Å; P245-V248 PolarHBondContact O-N 3.27Å; V248-L250 WeakPolarHBondContact CG1-O 3.17Å
249	D	98.5	Very high	97.6	Very high	52 Å²	52	61 Å²	61	28%	0.278	34%	0.344	S	S	.	.	S	Bend	trans	-74.4	-36.8	175.6	-70.2	-38.8	0	0	0	112.9	L210 F212 R217 D247	L210-D249 PolarHBondContact O-N 3.17Å; F212-D249 HydrophobicContact CD2-CB 3.62Å; F212-D249 HydrophobicContact CE2-CB 4.14Å; F212-D249 PolarHBondContact N-OD2 3.48Å; R217-D249 IonicContact CZ-OD1 3.51Å; R217-D249 VanDerWaalsContact CZ-OD1 3.25Å; R217-D249 IonicContact CZ-OD2 3.77Å; R217-D249 IonicContact NE-OD1 3.21Å; R217-D249 IonicContact NE-OD2 2.96Å; R217-D249 PolarHBondContact NE-OD2 3.42Å; R217-D249 IonicContact NH1-OD1 2.67Å; R217-D249 IonicContact NH2-OD1 2.64Å; R217-D249 PolarHBondContact NH2-OD1 2.9Å; R217-D249 IonicContact NH2-OD2 3.53Å; R217-D249 PolarHBondContact NH2-OD2 3.03Å; D247-D249 PolarHBondContact O-N 2.88Å
250	L	98.7	Very high	97.8	Very high	0 Å²	0	63.7 Å²	63.7	0%	0	35%	0.349	C	S	.	.	B	Isolated β-bridge	trans	-129.5	114.1	177.8	-173.7	75.9	0	0	0	110.6	N209 L210 F212 A224 K225 V248 Y254 V255	N209-L250 WeakPolarHBondContact CA-O 3.17Å; L210-L250 HydrophobicContact CB-CB 4.2Å; L210-L250 HydrophobicContact CD1-CD2 3.87Å; L210-L250 HydrophobicContact CG-CD2 4.42Å; L210-L250 PolarHBondContact N-O 2.89Å; L210-L250 PolarHBondContact O-N 3.43Å; L210-L250 VanDerWaalsContact O-N 3.14Å; F212-L250 HydrophobicContact CE2-CB 3.88Å; F212-L250 HydrophobicContact CZ-CB 4.23Å; F212-L250 HydrophobicContact CZ-CD2 4.38Å; A224-L250 HydrophobicContact CB-CD2 3.4Å; K225-L250 HydrophobicContact CD-CD1 4.25Å; K225-L250 HydrophobicContact CG-CD1 3.85Å; V248-L250 WeakPolarHBondContact CG1-O 3.17Å; L250-Y254 HydrophobicContact CD1-CD2 3.73Å; L250-Y254 HydrophobicContact CD1-CE2 4.48Å; L250-Y254 HydrophobicContact CD1-CG 4.3Å; L250-Y254 HydrophobicContact CG-CD2 4.29Å; L250-V255 HydrophobicContact CD2-CG2 3.8Å
251	P	98.2	Very high	97.9	Very high	63 Å²	63	61.3 Å²	61.3	41%	0.409	34%	0.335	S	S	.	.			trans	-61.6	141.5	175.9	-24.9	34.7	0	0	0	112.2	I253 Y254	P251-I253 HydrophobicContact CB-CG2 4.34Å; P251-I253 PolarHBondContact O-N 3.28Å; P251-Y254 PolarHBondContact O-N 3.11Å
252	G	97.5	Very high	98	Very high	5 Å²	5	61.9 Å²	61.9	5%	0.052	33%	0.328	C	S	.	.	G	3₁₀ helix	trans	-61.6	-14.3	-174.4	0	0	0	0	0	115.4	K30 G208 N209 Y254 V255	K30-G252 PolarHBondContact NZ-O 3.17Å; G208-G252 VanDerWaalsContact O-CA 3.26Å; G208-G252 WeakPolarHBondContact O-CA 3.47Å; N209-G252 PolarHBondContact OD1-N 2.69Å; G252-Y254 PolarHBondContact O-N 3.44Å; G252-Y254 VanDerWaalsContact O-N 3.15Å; G252-V255 PolarHBondContact O-N 3.29Å
253	I	97	Very high	97.7	Very high	134 Å²	134	59.9 Å²	59.9	69%	0.687	33%	0.325	S	S	*	.	G	3₁₀ helix	trans	-56.7	-29.9	176.4	-164.1	169.2	0	0	0	113.2	P251	P251-I253 HydrophobicContact CB-CG2 4.34Å; P251-I253 PolarHBondContact O-N 3.28Å
254	Y	98.6	Very high	97.3	Very high	81 Å²	81	64.1 Å²	64.1	32%	0.318	34%	0.344	S	S	.	.	G	3₁₀ helix	trans	-83.2	-17.8	178.8	-60.2	-68.3	0	0	0	113.1	K225 C230 L250 P251 G252 H256	K225-Y254 HydrophobicContact CB-CD1 4.01Å; K225-Y254 HydrophobicContact CB-CE1 4.17Å; K225-Y254 HydrophobicContact CB-CG 4.41Å; K225-Y254 HydrophobicContact CG-CD1 3.83Å; K225-Y254 HydrophobicContact CG-CD2 3.95Å; K225-Y254 HydrophobicContact CG-CE1 3.97Å; K225-Y254 HydrophobicContact CG-CE2 4.09Å; K225-Y254 HydrophobicContact CG-CG 3.81Å; C230-Y254 WeakPolarHBondContact CB-O 3.34Å; L250-Y254 HydrophobicContact CD1-CD2 3.73Å; L250-Y254 HydrophobicContact CD1-CE2 4.48Å; L250-Y254 HydrophobicContact CD1-CG 4.3Å; L250-Y254 HydrophobicContact CG-CD2 4.29Å; P251-Y254 PolarHBondContact O-N 3.11Å; G252-Y254 PolarHBondContact O-N 3.44Å; G252-Y254 VanDerWaalsContact O-N 3.15Å; Y254-H256 PolarHBondContact O-CE1 3.07Å; Y254-H256 PolarHBondContact O-ND1 2.94Å; Y254-H256 VanDerWaalsContact O-ND1 3.16Å
255	V	98.8	Very high	96.9	Very high	1 Å²	1	63.2 Å²	63.2	1%	0.006	34%	0.336	C	S	.	.			trans	-99.8	131.5	-175.1	-178.4	0	0	0	0	109.8	K30 G208 L210 A232 L250 G252 R257 V258	K30-V255 WeakPolarHBondContact CD-O 3.29Å; K30-V255 VanDerWaalsContact CE-O 3.28Å; K30-V255 WeakPolarHBondContact CE-O 3.21Å; K30-V255 PolarHBondContact NZ-O 3.09Å; G208-V255 WeakPolarHBondContact O-CB 3.44Å; G208-V255 VanDerWaalsContact O-CG2 3.23Å; G208-V255 WeakPolarHBondContact O-CG2 3.5Å; L210-V255 HydrophobicContact CD1-CG2 3.78Å; L210-V255 HydrophobicContact CG-CG2 3.96Å; A232-V255 HydrophobicContact CB-CG1 3.84Å; L250-V255 HydrophobicContact CD2-CG2 3.8Å; G252-V255 PolarHBondContact O-N 3.29Å; V255-R257 WeakPolarHBondContact CG1-O 3.24Å; V255-V258 HydrophobicContact CG1-CG2 3.77Å
256	H	98.6	Very high	96.6	Very high	80 Å²	80	60.4 Å²	60.4	37%	0.37	32%	0.319	S	S	.	.			trans	-109.3	-29.9	-175.1	-61.6	76	0	0	0	111.9	K228 V229 C230 Y254	K228-H256 PolarHBondContact O-CE1 3.47Å; K228-H256 VanDerWaalsContact O-CE1 3.22Å; K228-H256 PolarHBondContact O-NE2 3.32Å; K228-H256 VanDerWaalsContact O-NE2 3.16Å; V229-H256 HydrophobicContact CG1-CB 4.01Å; C230-H256 PolarHBondContact N-ND1 3.34Å; C230-H256 WeakPolarHBondContact O-CA 3.5Å; C230-H256 WeakPolarHBondContact O-CB 3.32Å; C230-H256 PolarHBondContact O-N 3.19Å; Y254-H256 PolarHBondContact O-CE1 3.07Å; Y254-H256 PolarHBondContact O-ND1 2.94Å; Y254-H256 VanDerWaalsContact O-ND1 3.16Å
257	R	98.6	Very high	96.4	Very high	28 Å²	28	55.4 Å²	55.4	11%	0.106	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	141.9	-179.2	-50.5	-174.4	-172.1	164.1	-0.2	109.4	K30 F32 A38 D41 C230 I231 A232 V255	K30-R257 CarbonylContact O-C 3.57Å; K30-R257 WeakPolarHBondContact O-CA 3.32Å; F32-R257 HydrophobicContact CD2-CB 3.73Å; F32-R257 HydrophobicContact CD2-CG 3.94Å; F32-R257 HydrophobicContact CE2-CB 3.77Å; F32-R257 HydrophobicContact CE2-CG 3.44Å; F32-R257 VanDerWaalsContact CE2-CG 3.44Å; F32-R257 HydrophobicContact CG-CB 4.5Å; F32-R257 HydrophobicContact CZ-CG 3.86Å; A38-R257 PolarHBondContact O-NH1 3.1Å; D41-R257 IonicContact OD1-CZ 2.62Å; D41-R257 IonicContact OD1-NH1 3.25Å; D41-R257 PolarHBondContact OD1-NH1 2.97Å; D41-R257 IonicContact OD1-NH2 3.34Å; D41-R257 PolarHBondContact OD1-NH2 3.33Å; D41-R257 IonicContact OD2-CZ 3.55Å; D41-R257 IonicContact OD2-NH1 2.8Å; D41-R257 IonicContact OD2-NH2 2.69Å; D41-R257 PolarHBondContact OD2-NH2 3.01Å; C230-R257 PolarHBondContact O-N 2.97Å; I231-R257 WeakPolarHBondContact CA-O 3.49Å; I231-R257 HydrophobicContact CB-CB 4.32Å; I231-R257 HydrophobicContact CG1-CB 4.18Å; I231-R257 HydrophobicContact CG1-CG 4.33Å; I231-R257 HydrophobicContact CG2-CB 3.98Å; A232-R257 PolarHBondContact N-O 3.41Å; V255-R257 WeakPolarHBondContact CG1-O 3.24Å
258	V	98.8	Very high	96.1	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	130.2	176.1	-172.1	0	0	0	0	108.3	K30 E31 F32 A232 V234 L237 V255	K30-V258 HydrophobicContact CB-CG2 4.27Å; K30-V258 PolarHBondContact O-N 3.16Å; E31-V258 CarbonylContact C-O 3.54Å; E31-V258 WeakPolarHBondContact CA-O 3.23Å; F32-V258 PolarHBondContact N-O 3Å; A232-V258 CarbonylContact O-C 3.57Å; A232-V258 WeakPolarHBondContact O-CA 3.25Å; V234-V258 HydrophobicContact CB-CG1 4.38Å; V234-V258 HydrophobicContact CG1-CG1 3.76Å; V234-V258 HydrophobicContact CG2-CG1 3.64Å; L237-V258 HydrophobicContact CD1-CB 4.46Å; L237-V258 HydrophobicContact CD1-CG1 3.61Å; V255-V258 HydrophobicContact CG1-CG2 3.77Å
259	V	98.6	Very high	95.8	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	142.9	173.4	-67.2	0	0	0	0	110	F32 A38 L62 A232 E233 V234	F32-V259 HydrophobicContact CB-CG1 3.65Å; A38-V259 HydrophobicContact CB-CG1 3.54Å; L62-V259 HydrophobicContact CD2-CG2 3.73Å; L62-V259 HydrophobicContact CG-CG2 4.2Å; A232-V259 PolarHBondContact O-N 2.83Å; E233-V259 WeakPolarHBondContact CA-O 3.46Å; E233-V259 HydrophobicContact CB-CG2 4.31Å; V234-V259 PolarHBondContact N-O 3.43Å
260	R	98.5	Very high	95.6	Very high	172 Å²	172	58.4 Å²	58.4	65%	0.649	30%	0.296	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.8	132.9	173.1	-172.3	176.3	-174.9	149.5	3.3	109.9	V234 L237	V234-R260 CarbonylContact O-C 3.54Å; V234-R260 WeakPolarHBondContact O-CA 3.42Å; L237-R260 HydrophobicContact CB-CB 4.29Å; L237-R260 HydrophobicContact CB-CG 4.44Å; L237-R260 HydrophobicContact CD2-CB 4.29Å
261	S	97.6	Very high	95.3	Very high	12 Å²	12	60 Å²	60	8%	0.084	31%	0.305	C	S	.	.			trans	-73	153.5	174.4	-175	0	0	0	0	112.5	D61 K200 E233 V234 G263	D61-S261 WeakPolarHBondContact OD2-CA 3.43Å; D61-S261 PolarHBondContact OD2-OG 3.31Å; K200-S261 VanDerWaalsContact NZ-CB 3.3Å; K200-S261 PolarHBondContact NZ-OG 3.4Å; E233-S261 PolarHBondContact OE1-OG 3Å; E233-S261 VanDerWaalsContact OE1-OG 3.13Å; V234-S261 WeakPolarHBondContact O-CB 3.17Å; V234-S261 PolarHBondContact O-N 3.44Å; S261-G263 PolarHBondContact O-N 2.76Å; S261-G263 PolarHBondContact OG-N 3.4Å
262	S	95.1	Very high	95	Very high	81 Å²	81	60.6 Å²	60.6	57%	0.566	30%	0.3	S	S	*	.			trans	-59.2	-22.7	162.9	66.3	0	0	0	0	113.1	D61 E264	D61-S262 VanDerWaalsContact CG-OG 3.29Å; D61-S262 WeakPolarHBondContact OD1-CB 3.21Å; D61-S262 PolarHBondContact OD1-OG 3.3Å; D61-S262 PolarHBondContact OD2-N 3.31Å; D61-S262 PolarHBondContact OD2-OG 2.87Å; D61-S262 VanDerWaalsContact OD2-OG 3.08Å; S262-E264 VanDerWaalsContact C-N 3.33Å; S262-E264 PolarHBondContact OG-N 3Å
263	G	89.7	Confident	94.5	Very high	44 Å²	44	62.7 Å²	62.7	45%	0.454	32%	0.317	S	S	.	.			trans	85.7	1.1	-174.7	0	0	0	0	0	113.9	S261 K265	S261-G263 PolarHBondContact O-N 2.76Å; S261-G263 PolarHBondContact OG-N 3.4Å; G263-K265 PolarHBondContact O-N 3.48Å
264	E	89.4	Confident	93.4	Very high	105 Å²	105	62.8 Å²	62.8	49%	0.491	31%	0.314	S	S	.	.			trans	-65.4	127.6	175.3	-168.8	177.9	164.8	0	0	110.3	S262	S262-E264 VanDerWaalsContact C-N 3.33Å; S262-E264 PolarHBondContact OG-N 3Å
265	K	91.4	Very high	91.5	Very high	70 Å²	70	61.8 Å²	61.8	30%	0.304	32%	0.319	S	S	.	.			trans	-135.8	142.8	173.5	-71.9	-165.8	-86.7	-159.1	0	109.3	E235 G263 P345 D346	E235-K265 WeakPolarHBondContact OE1-CD 3.38Å; E235-K265 VanDerWaalsContact OE1-CE 3.31Å; E235-K265 WeakPolarHBondContact OE1-CE 3.33Å; E235-K265 IonicContact OE1-NZ 3.99Å; E235-K265 PolarHBondContact OE1-NZ 3.39Å; E235-K265 IonicContact OE2-NZ 3.11Å; E235-K265 PolarHBondContact OE2-NZ 3.03Å; G263-K265 PolarHBondContact O-N 3.48Å; K265-P345 HydrophobicContact CB-CB 3.96Å; K265-P345 HydrophobicContact CB-CG 3.82Å; K265-P345 HydrophobicContact CD-CB 4.44Å; K265-P345 HydrophobicContact CD-CG 3.91Å; K265-P345 HydrophobicContact CG-CG 4.48Å; K265-D346 IonicContact NZ-OD1 2.73Å; K265-D346 IonicContact NZ-OD2 3.24Å; K265-D346 PolarHBondContact NZ-OD2 3.21Å
266	S	91.1	Very high	89.5	Confident	46 Å²	46	70.8 Å²	70.8	32%	0.322	36%	0.358	S	S	.	.			trans	-119.6	144.1	178.9	-172.5	0	0	0	0	110.3	A55	A55-S266 WeakPolarHBondContact CB-O 3.08Å
267	I	93.1	Very high	87	Confident	53 Å²	53	74.9 Å²	74.9	27%	0.272	38%	0.378	S	S	.	.			trans	-99.9	115.8	170.3	-63.3	176.2	0	0	0	106.7	L270 E343 P345 T354	I267-L270 HydrophobicContact CD1-CD1 4.19Å; I267-L270 HydrophobicContact CG2-CB 3.91Å; I267-L270 HydrophobicContact CG2-CD1 4.37Å; I267-E343 HydrophobicContact CD1-CB 4.34Å; I267-E343 HydrophobicContact CD1-CG 4.06Å; I267-P345 HydrophobicContact CG1-CB 3.81Å; I267-T354 HydrophobicContact CD1-CG2 4.07Å; I267-T354 HydrophobicContact CG1-CG2 4.43Å; I267-T354 HydrophobicContact CG2-CG2 3.42Å; I267-T354 VanDerWaalsContact CG2-CG2 3.42Å
268	E	91.3	Very high	84.8	Confident	54 Å²	54	79.2 Å²	79.2	25%	0.252	40%	0.399	S	S	.	.	S	Bend	trans	-68.6	-46.3	-177.8	-168.2	170.4	144.7	0	0	111.9	G54 A55 V83 M352	G54-E268 WeakPolarHBondContact CA-OE2 3.18Å; A55-E268 HydrophobicContact CB-CB 4.13Å; A55-E268 PolarHBondContact N-OE2 3.23Å; A55-E268 VanDerWaalsContact N-OE2 3.08Å; V83-E268 HydrophobicContact CG1-CG 4.22Å; E268-M352 HydrophobicContact CB-CB 4.41Å
269	R	92.9	Very high	82.7	Confident	112 Å²	112	85 Å²	85	42%	0.423	42%	0.424	S	S	.	.	B	Isolated β-bridge	trans	-133.4	97.4	177.3	-60.3	178.8	63.8	-145.7	-8.5	110.5	V271 G351 M352 E353 T354	R269-V271 PolarHBondContact O-N 3.44Å; R269-G351 WeakPolarHBondContact CD-O 3.34Å; R269-G351 PolarHBondContact NH1-O 3.39Å; R269-M352 WeakPolarHBondContact CB-O 3.46Å; R269-M352 PolarHBondContact N-O 3.43Å; R269-E353 HydrophobicContact CB-CG 4.1Å; R269-E353 IonicContact CZ-OE1 3.02Å; R269-E353 VanDerWaalsContact CZ-OE1 3.24Å; R269-E353 IonicContact NH1-OE1 3.25Å; R269-E353 PolarHBondContact NH1-OE1 2.97Å; R269-E353 IonicContact NH2-OE1 3.35Å; R269-E353 PolarHBondContact NH2-OE1 2.8Å; R269-E353 VanDerWaalsContact O-CA 3.24Å; R269-E353 WeakPolarHBondContact O-CA 3.3Å; R269-T354 PolarHBondContact O-N 3.14Å; R269-T354 VanDerWaalsContact O-N 3.17Å
270	L	94.3	Very high	80.4	Confident	85 Å²	85	89.4 Å²	89.4	45%	0.445	45%	0.451	S	S	.	.			trans	-77	117.8	175	-178	60.7	0	0	0	109.8	I267 Y272 E343 T354	I267-L270 HydrophobicContact CD1-CD1 4.19Å; I267-L270 HydrophobicContact CG2-CB 3.91Å; I267-L270 HydrophobicContact CG2-CD1 4.37Å; L270-Y272 HydrophobicContact CD1-CE1 3.96Å; L270-Y272 HydrophobicContact CD1-CE2 4.28Å; L270-Y272 HydrophobicContact CD2-CE2 3.84Å; L270-Y272 HydrophobicContact CG-CE2 3.96Å; L270-E343 HydrophobicContact CD1-CB 3.76Å; L270-E343 HydrophobicContact CD1-CG 3.92Å; L270-T354 HydrophobicContact CD1-CG2 3.9Å
271	V	91.7	Very high	78.1	Confident	33 Å²	33	86.6 Å²	86.6	20%	0.2	46%	0.455	C	S	.	.			trans	-130.9	122.3	177.2	-176.7	0	0	0	0	108.8	R269 Y337 P338 E353 T354	R269-V271 PolarHBondContact O-N 3.44Å; V271-Y337 HydrophobicContact CB-CD1 3.83Å; V271-Y337 HydrophobicContact CB-CE1 3.94Å; V271-Y337 HydrophobicContact CG1-CD1 3.58Å; V271-Y337 HydrophobicContact CG1-CD2 4.28Å; V271-Y337 HydrophobicContact CG1-CE1 3.66Å; V271-Y337 HydrophobicContact CG1-CE2 4.34Å; V271-Y337 HydrophobicContact CG1-CG 3.92Å; V271-P338 WeakPolarHBondContact O-CD 3.39Å; V271-E353 HydrophobicContact CB-CB 4.27Å; V271-E353 HydrophobicContact CG2-CB 3.84Å; V271-E353 HydrophobicContact CG2-CG 3.76Å; V271-T354 PolarHBondContact N-OG1 2.89Å; V271-T354 PolarHBondContact O-OG1 3.38Å
272	Y	92.4	Very high	76	Confident	77 Å²	77	89.8 Å²	89.8	30%	0.302	48%	0.482	S	S	.	.			trans	-97.3	155.1	175.2	-66.4	-60.6	0	0	0	111.5	L270 Q274 P338 P340 E343	L270-Y272 HydrophobicContact CD1-CE1 3.96Å; L270-Y272 HydrophobicContact CD1-CE2 4.28Å; L270-Y272 HydrophobicContact CD2-CE2 3.84Å; L270-Y272 HydrophobicContact CG-CE2 3.96Å; Y272-Q274 PolarHBondContact O-N 2.93Å; Y272-Q274 VanDerWaalsContact O-N 3.12Å; Y272-P338 CarbonylContact C-O 3.48Å; Y272-P338 VanDerWaalsContact CA-O 3.32Å; Y272-P338 WeakPolarHBondContact CA-O 3.14Å; Y272-P338 HydrophobicContact CD1-CG 4.39Å; Y272-P340 HydrophobicContact CD1-CG 4.13Å; Y272-P340 HydrophobicContact CE1-CB 4.27Å; Y272-P340 HydrophobicContact CE1-CG 4.27Å; Y272-P340 HydrophobicContact CG-CG 4.28Å; Y272-E343 HydrophobicContact CE1-CB 4.24Å; Y272-E343 HydrophobicContact CE1-CG 4.3Å; Y272-E343 WeakPolarHBondContact CE1-OE2 3.36Å; Y272-E343 VanDerWaalsContact OH-CD 3.29Å; Y272-E343 PolarHBondContact OH-OE1 3.33Å
273	A	86.9	Confident	75.2	Confident	49 Å²	49	87 Å²	87	41%	0.405	46%	0.463	S	S	.	.			trans	-56.7	115.6	167.4	0	0	0	0	0	110.1	Y337 P338	A273-Y337 WeakPolarHBondContact CB-O 3.36Å; A273-P338 PolarHBondContact N-O 2.88Å
274	Q	74.2	Confident	75	Confident	135 Å²	135	87.7 Å²	87.7	63%	0.631	47%	0.465	S	S	*	.			trans	-83	153.4	174.4	-66.2	179.9	3.1	0	0	110.4	Y272	Y272-Q274 PolarHBondContact O-N 2.93Å; Y272-Q274 VanDerWaalsContact O-N 3.12Å
275	S	59.9	Low	75	Confident	61 Å²	61	84.1 Å²	84.1	43%	0.427	45%	0.453	S	S	.	.			trans	-67.3	151.9	166.2	64.2	0	0	0	0	109.1	E277 Q278	S275-E277 PolarHBondContact O-N 3.43Å; S275-E277 PolarHBondContact OG-OE2 3.03Å; S275-Q278 PolarHBondContact O-N 3.37Å
276	K	55.5	Low	75.1	Confident	189 Å²	189	85.5 Å²	85.5	82%	0.822	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-16.9	175.9	-74.7	-175.1	176.3	-178.2	0	112.5	Q278 F279	K276-Q278 PolarHBondContact O-N 3.35Å; K276-F279 WeakPolarHBondContact O-CD2 3.16Å; K276-F279 WeakPolarHBondContact O-CE2 3.26Å
277	E	47	Very low	75.2	Confident	167 Å²	167	84.4 Å²	84.4	78%	0.78	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-12	-171.8	-68.9	145.6	-179.4	0	0	114.7	S275 F279	S275-E277 PolarHBondContact O-N 3.43Å; S275-E277 PolarHBondContact OG-OE2 3.03Å; E277-F279 PolarHBondContact O-N 3.36Å
278	Q	52.2	Low	75.2	Confident	118 Å²	118	84.1 Å²	84.1	55%	0.551	44%	0.441	S	S	*	.			trans	-82.9	45.3	-176.6	-68.1	-174.9	-8	0	0	114.3	S275 K276	S275-Q278 PolarHBondContact O-N 3.37Å; K276-Q278 PolarHBondContact O-N 3.35Å
279	F	53.4	Low	75.4	Confident	121 Å²	121	81.5 Å²	81.5	53%	0.531	43%	0.429	S	S	.	.			trans	-79.5	130.7	177	-75.9	-75.3	0	0	0	112.6	K276 E277 H287	K276-F279 WeakPolarHBondContact O-CD2 3.16Å; K276-F279 WeakPolarHBondContact O-CE2 3.26Å; E277-F279 PolarHBondContact O-N 3.36Å; F279-H287 AromaticContact CE1-CE1 3.88Å; F279-H287 AromaticContact CE1-ND1 3.74Å
280	V	51.4	Low	75.5	Confident	93 Å²	93	76.2 Å²	76.2	56%	0.564	41%	0.409	S	S	*	.			trans	-116	145.6	174.2	-175	0	0	0	0	109.8	A282 S283 A284	V280-A282 PolarHBondContact O-N 3.41Å; V280-S283 PolarHBondContact N-OG 2.9Å; V280-S283 WeakPolarHBondContact O-CA 3.04Å; V280-S283 WeakPolarHBondContact O-CB 3.15Å; V280-S283 PolarHBondContact O-N 3.17Å; V280-S283 PolarHBondContact O-OG 3.27Å; V280-A284 PolarHBondContact O-N 2.91Å
281	P	50.2	Low	75.5	Confident	114 Å²	114	75.7 Å²	75.7	74%	0.74	40%	0.402	S	S	*	.	H	α-helix	trans	-56.4	-40	-175.7	-28.5	35.4	0	0	0	115.7	S283 A284	P281-S283 PolarHBondContact O-N 3.36Å; P281-S283 VanDerWaalsContact O-N 3.1Å; P281-A284 VanDerWaalsContact O-CB 3.24Å; P281-A284 WeakPolarHBondContact O-CB 3.45Å; P281-A284 PolarHBondContact O-N 2.86Å
282	A	54.1	Low	75.7	Confident	78 Å²	78	74.8 Å²	74.8	65%	0.645	39%	0.394	S	S	*	.	H	α-helix	trans	-61.7	-17.5	173.7	0	0	0	0	0	113.1	V280	V280-A282 PolarHBondContact O-N 3.41Å
283	S	78.3	Confident	75.9	Confident	22 Å²	22	71.1 Å²	71.1	15%	0.154	38%	0.38	C	S	.	.	H	α-helix	trans	-80.4	-26.2	170.9	84.1	0	0	0	0	112.1	V280 P281 A285 R286 H287	V280-S283 PolarHBondContact N-OG 2.9Å; V280-S283 WeakPolarHBondContact O-CA 3.04Å; V280-S283 WeakPolarHBondContact O-CB 3.15Å; V280-S283 PolarHBondContact O-N 3.17Å; V280-S283 PolarHBondContact O-OG 3.27Å; P281-S283 PolarHBondContact O-N 3.36Å; P281-S283 VanDerWaalsContact O-N 3.1Å; S283-A285 PolarHBondContact O-N 2.85Å; S283-R286 PolarHBondContact O-N 3.17Å; S283-H287 WeakPolarHBondContact O-CB 3.15Å; S283-H287 PolarHBondContact O-CD2 3.26Å; S283-H287 PolarHBondContact O-N 2.81Å
284	A	84.9	Confident	76.4	Confident	60 Å²	60	68.8 Å²	68.8	50%	0.496	36%	0.361	S	S	.	.	H	α-helix	trans	-58.2	-46.3	-173.2	0	0	0	0	0	113	V280 P281 R286 H287 R288	V280-A284 PolarHBondContact O-N 2.91Å; P281-A284 VanDerWaalsContact O-CB 3.24Å; P281-A284 WeakPolarHBondContact O-CB 3.45Å; P281-A284 PolarHBondContact O-N 2.86Å; A284-R286 PolarHBondContact O-N 2.8Å; A284-H287 PolarHBondContact O-N 3.32Å; A284-R288 WeakPolarHBondContact O-CB 3.46Å; A284-R288 PolarHBondContact O-N 3.37Å
285	A	90.1	Very high	77.4	Confident	30 Å²	30	66.1 Å²	66.1	25%	0.248	35%	0.351	C	S	.	.	H	α-helix	trans	-60.4	-44.8	175.5	0	0	0	0	0	112.1	S283 R288 I289 E456	S283-A285 PolarHBondContact O-N 2.85Å; A285-R288 WeakPolarHBondContact O-CB 3.48Å; A285-R288 PolarHBondContact O-N 2.83Å; A285-I289 WeakPolarHBondContact O-CG1 3.45Å; A285-I289 PolarHBondContact O-N 2.74Å; A285-E456 HydrophobicContact CB-CB 3.85Å; A285-E456 HydrophobicContact CB-CG 4.18Å
286	R	93.4	Very high	79.2	Confident	98 Å²	98	64.8 Å²	64.8	37%	0.37	34%	0.337	S	S	.	.	H	α-helix	trans	-66.6	-39.8	179.2	-63.7	-178	173.7	-168.3	-6	112.6	S283 A284 I289 A290 I309 L312 E426	S283-R286 PolarHBondContact O-N 3.17Å; A284-R286 PolarHBondContact O-N 2.8Å; R286-I289 PolarHBondContact O-N 3.09Å; R286-A290 WeakPolarHBondContact O-CB 3.43Å; R286-A290 PolarHBondContact O-N 3.26Å; R286-I309 HydrophobicContact CB-CD1 4.41Å; R286-I309 HydrophobicContact CB-CG1 4.12Å; R286-I309 HydrophobicContact CG-CD1 3.93Å; R286-I309 HydrophobicContact CG-CG1 3.94Å; R286-L312 HydrophobicContact CB-CD1 4.11Å; R286-E426 IonicContact CZ-OE2 2.78Å; R286-E426 IonicContact NE-OE1 3.81Å; R286-E426 IonicContact NE-OE2 2.74Å; R286-E426 PolarHBondContact NE-OE2 3.22Å; R286-E426 IonicContact NH2-OE2 2.8Å; R286-E426 PolarHBondContact NH2-OE2 3.4Å
287	H	92.1	Very high	81.2	Confident	24 Å²	24	56.3 Å²	56.3	11%	0.111	30%	0.301	C	S	.	.	H	α-helix	trans	-70.2	-33.7	175.7	-81.1	-99.3	0	0	0	111.8	F279 S283 A284 A290 R291 Y316	F279-H287 AromaticContact CE1-CE1 3.88Å; F279-H287 AromaticContact CE1-ND1 3.74Å; S283-H287 WeakPolarHBondContact O-CB 3.15Å; S283-H287 PolarHBondContact O-CD2 3.26Å; S283-H287 PolarHBondContact O-N 2.81Å; A284-H287 PolarHBondContact O-N 3.32Å; H287-A290 PolarHBondContact O-N 2.78Å; H287-R291 WeakPolarHBondContact O-CB 3.38Å; H287-R291 PolarHBondContact O-N 3.38Å; H287-Y316 HydrophobicContact CB-CE2 4.28Å; H287-Y316 WeakPolarHBondContact CB-OH 3.31Å; H287-Y316 AromaticContact ND1-CE2 3.61Å; H287-Y316 AromaticContact ND1-CZ 3.57Å; H287-Y316 PolarHBondContact ND1-OH 3.05Å
288	R	92.7	Very high	83.6	Confident	46 Å²	46	55 Å²	55	17%	0.174	29%	0.293	C	S	.	.	H	α-helix	trans	-60	-48.7	170.2	177.5	-177.6	-74.5	-152.2	-6.3	110.7	A284 A285 R291 R292 E475 M499	A284-R288 WeakPolarHBondContact O-CB 3.46Å; A284-R288 PolarHBondContact O-N 3.37Å; A285-R288 WeakPolarHBondContact O-CB 3.48Å; A285-R288 PolarHBondContact O-N 2.83Å; R288-R291 PolarHBondContact O-N 3.25Å; R288-R292 PolarHBondContact O-N 3.45Å; R288-E475 PolarHBondContact NH1-O 3.06Å; R288-E475 IonicContact NH2-OE2 3.54Å; R288-M499 VanDerWaalsContact CD-CE 3.46Å; R288-M499 HydrophobicContact CG-CE 3.46Å; R288-M499 VanDerWaalsContact CG-CE 3.46Å
289	I	95.9	Very high	85.8	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-56.9	-53.6	175.2	-65.6	160.9	0	0	0	110.8	A285 R286 R291 R292 A293 I309 C424 M425 E426 I454 E456	A285-I289 WeakPolarHBondContact O-CG1 3.45Å; A285-I289 PolarHBondContact O-N 2.74Å; R286-I289 PolarHBondContact O-N 3.09Å; I289-R291 VanDerWaalsContact C-N 3.34Å; I289-R291 PolarHBondContact O-N 3.35Å; I289-R292 PolarHBondContact O-N 2.89Å; I289-A293 WeakPolarHBondContact O-CB 3.34Å; I289-A293 PolarHBondContact O-N 3.01Å; I289-I309 HydrophobicContact CB-CG2 3.91Å; I289-I309 HydrophobicContact CD1-CD1 4.01Å; I289-I309 HydrophobicContact CG2-CG2 3.61Å; I289-C424 HydrophobicContact CG2-CB 3.6Å; I289-M425 WeakPolarHBondContact CD1-O 3.34Å; I289-E426 HydrophobicContact CD1-CG 4.4Å; I289-I454 HydrophobicContact CG2-CB 4.43Å; I289-I454 HydrophobicContact CG2-CG2 3.99Å; I289-E456 HydrophobicContact CD1-CB 4.06Å; I289-E456 HydrophobicContact CG1-CB 4.11Å
290	A	95.1	Very high	87.9	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-63.2	-39.1	-176.2	0	0	0	0	0	112.9	R286 H287 A293 A294 I309 L312 Y316	R286-A290 WeakPolarHBondContact O-CB 3.43Å; R286-A290 PolarHBondContact O-N 3.26Å; H287-A290 PolarHBondContact O-N 2.78Å; A290-A293 PolarHBondContact O-N 3.37Å; A290-A294 PolarHBondContact O-N 3.38Å; A290-I309 HydrophobicContact CB-CG2 4.36Å; A290-L312 HydrophobicContact CB-CB 3.55Å; A290-Y316 HydrophobicContact CB-CD2 4.11Å; A290-Y316 HydrophobicContact CB-CE2 4.24Å
291	R	94.1	Very high	90.1	Very high	75 Å²	75	48.3 Å²	48.3	28%	0.283	27%	0.274	S	S	.	.	H	α-helix	trans	-64.2	-42.1	175.7	-169	-172.8	-47.9	152.5	1.4	111.2	H287 R288 I289 A294 Y316 G501 S502	H287-R291 WeakPolarHBondContact O-CB 3.38Å; H287-R291 PolarHBondContact O-N 3.38Å; R288-R291 PolarHBondContact O-N 3.25Å; I289-R291 VanDerWaalsContact C-N 3.34Å; I289-R291 PolarHBondContact O-N 3.35Å; R291-A294 PolarHBondContact O-N 3.3Å; R291-Y316 HydrophobicContact CB-CD1 4.09Å; R291-Y316 HydrophobicContact CB-CD2 3.96Å; R291-Y316 HydrophobicContact CB-CE1 4.34Å; R291-Y316 HydrophobicContact CB-CE2 4.2Å; R291-Y316 HydrophobicContact CB-CG 3.89Å; R291-Y316 HydrophobicContact CG-CD1 3.84Å; R291-Y316 HydrophobicContact CG-CE1 4.26Å; R291-Y316 HydrophobicContact CG-CG 4.01Å; R291-G501 WeakPolarHBondContact CD-O 3.29Å; R291-G501 PolarHBondContact NH1-O 3.11Å; R291-S502 PolarHBondContact NH1-O 3.15Å; R291-S502 PolarHBondContact NH1-OXT 3.38Å
292	R	96	Very high	92.5	Very high	13 Å²	13	47.4 Å²	47.4	5%	0.049	26%	0.257	C	S	.	.	H	α-helix	trans	-65.7	-43.6	175.5	176.7	56.6	-169.2	81.6	-1.1	111.3	R288 I289 A294 L295 E296 I454 V459 E472 M499 K500	R288-R292 PolarHBondContact O-N 3.45Å; I289-R292 PolarHBondContact O-N 2.89Å; R292-A294 VanDerWaalsContact C-N 3.3Å; R292-A294 PolarHBondContact O-N 2.95Å; R292-L295 WeakPolarHBondContact O-CB 3.31Å; R292-L295 PolarHBondContact O-N 3.46Å; R292-L295 VanDerWaalsContact O-N 3.17Å; R292-E296 IonicContact CZ-OE1 3.73Å; R292-E296 IonicContact NH1-OE1 2.76Å; R292-E296 PolarHBondContact NH1-OE1 3.02Å; R292-E296 IonicContact NH2-OE1 3.85Å; R292-E296 PolarHBondContact NH2-OE1 3.45Å; R292-I454 HydrophobicContact CB-CG2 4.04Å; R292-I454 HydrophobicContact CG-CD1 4.48Å; R292-I454 HydrophobicContact CG-CG2 3.87Å; R292-V459 HydrophobicContact CG-CG2 3.97Å; R292-E472 WeakPolarHBondContact CD-OE2 3.3Å; R292-E472 IonicContact CZ-OE1 2.78Å; R292-E472 IonicContact CZ-OE2 2.65Å; R292-E472 VanDerWaalsContact NE-CD 3.29Å; R292-E472 IonicContact NE-OE1 2.83Å; R292-E472 PolarHBondContact NE-OE1 3.45Å; R292-E472 IonicContact NE-OE2 3.75Å; R292-E472 PolarHBondContact NE-OE2 3.39Å; R292-E472 IonicContact NH2-OE1 3.36Å; R292-E472 PolarHBondContact NH2-OE1 3.42Å; R292-E472 IonicContact NH2-OE2 2.82Å; R292-M499 HydrophobicContact CB-CG 4.24Å; R292-M499 HydrophobicContact CB-SD 4.35Å; R292-M499 HydrophobicContact CG-CG 3.78Å; R292-M499 HydrophobicContact CG-SD 4.09Å; R292-K500 WeakPolarHBondContact CD-O 3.44Å
293	A	97.3	Very high	94.6	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-61.2	-38.1	178.6	0	0	0	0	0	112.7	I289 A290 L295 E296 C424 I454	I289-A293 WeakPolarHBondContact O-CB 3.34Å; I289-A293 PolarHBondContact O-N 3.01Å; A290-A293 PolarHBondContact O-N 3.37Å; A293-L295 PolarHBondContact O-N 2.91Å; A293-L295 VanDerWaalsContact O-N 3.14Å; A293-E296 VanDerWaalsContact O-CB 3.32Å; A293-E296 WeakPolarHBondContact O-CB 3.33Å; A293-E296 PolarHBondContact O-N 2.89Å; A293-C424 WeakPolarHBondContact CB-SG 3.32Å; A293-I454 HydrophobicContact CB-CD1 3.74Å
294	A	96	Very high	95.6	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-63.2	-19.1	177.7	0	0	0	0	0	114.2	A290 R291 R292 E296 F297 Y316	A290-A294 PolarHBondContact O-N 3.38Å; R291-A294 PolarHBondContact O-N 3.3Å; R292-A294 VanDerWaalsContact C-N 3.3Å; R292-A294 PolarHBondContact O-N 2.95Å; A294-E296 PolarHBondContact O-N 3.17Å; A294-F297 HydrophobicContact CB-CD2 3.98Å; A294-F297 HydrophobicContact CB-CE2 3.82Å; A294-F297 WeakPolarHBondContact O-CB 3.25Å; A294-F297 WeakPolarHBondContact O-CD2 3.41Å; A294-F297 WeakPolarHBondContact O-CG 3.4Å; A294-F297 PolarHBondContact O-N 3.25Å; A294-Y316 WeakPolarHBondContact CB-O 3.46Å
295	L	95.6	Very high	96.1	Very high	80 Å²	80	41 Å²	41	42%	0.419	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-10.6	173.4	-60.4	178.5	0	0	0	113.4	R292 A293 F297 K500	R292-L295 WeakPolarHBondContact O-CB 3.31Å; R292-L295 PolarHBondContact O-N 3.46Å; R292-L295 VanDerWaalsContact O-N 3.17Å; A293-L295 PolarHBondContact O-N 2.91Å; A293-L295 VanDerWaalsContact O-N 3.14Å; L295-F297 VanDerWaalsContact C-N 3.32Å; L295-K500 HydrophobicContact CD1-CB 3.37Å; L295-K500 HydrophobicContact CD1-CD 4.15Å; L295-K500 HydrophobicContact CD1-CG 4.43Å
296	E	97.2	Very high	96.4	Very high	32 Å²	32	40.1 Å²	40.1	15%	0.15	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-15.5	174.3	-61.3	-66.1	132.9	0	0	112.2	R292 A293 A294 M380 K420 I422 M452	R292-E296 IonicContact CZ-OE1 3.73Å; R292-E296 IonicContact NH1-OE1 2.76Å; R292-E296 PolarHBondContact NH1-OE1 3.02Å; R292-E296 IonicContact NH2-OE1 3.85Å; R292-E296 PolarHBondContact NH2-OE1 3.45Å; A293-E296 VanDerWaalsContact O-CB 3.32Å; A293-E296 WeakPolarHBondContact O-CB 3.33Å; A293-E296 PolarHBondContact O-N 2.89Å; A294-E296 PolarHBondContact O-N 3.17Å; E296-M380 HydrophobicContact CB-CE 3.87Å; E296-M380 HydrophobicContact CB-SD 4.27Å; E296-M380 WeakPolarHBondContact O-CE 3.34Å; E296-K420 IonicContact OE2-NZ 3.85Å; E296-K420 PolarHBondContact OE2-NZ 3Å; E296-I422 HydrophobicContact CB-CD1 3.63Å; E296-I422 HydrophobicContact CG-CD1 3.67Å; E296-M452 HydrophobicContact CG-SD 3.93Å; E296-M452 WeakPolarHBondContact OE2-CE 3.09Å
297	F	98	Very high	96.2	Very high	11 Å²	11	40 Å²	40	5%	0.048	20%	0.201	C	C	.	.			trans	-70.4	141.9	177.3	-56.3	-25.2	0	0	0	111	A294 L295 V303 L305 C313 I317 I321 I323 M380 V382	A294-F297 HydrophobicContact CB-CD2 3.98Å; A294-F297 HydrophobicContact CB-CE2 3.82Å; A294-F297 WeakPolarHBondContact O-CB 3.25Å; A294-F297 WeakPolarHBondContact O-CD2 3.41Å; A294-F297 WeakPolarHBondContact O-CG 3.4Å; A294-F297 PolarHBondContact O-N 3.25Å; L295-F297 VanDerWaalsContact C-N 3.32Å; F297-V303 HydrophobicContact CD1-CG1 4.36Å; F297-V303 HydrophobicContact CD1-CG2 4.19Å; F297-V303 HydrophobicContact CE1-CG1 3.78Å; F297-V303 HydrophobicContact CE1-CG2 4.43Å; F297-V303 HydrophobicContact CZ-CG1 4.3Å; F297-L305 HydrophobicContact CE1-CD2 4.45Å; F297-L305 HydrophobicContact CZ-CD2 3.91Å; F297-C313 HydrophobicContact CE2-CB 3.94Å; F297-C313 HydrophobicContact CZ-CB 3.77Å; F297-I317 HydrophobicContact CD2-CG1 3.97Å; F297-I317 HydrophobicContact CE2-CG1 3.98Å; F297-I321 HydrophobicContact CB-CD1 3.7Å; F297-I323 HydrophobicContact CB-CD1 4.44Å; F297-I323 HydrophobicContact CB-CG2 4.18Å; F297-I323 HydrophobicContact CD2-CD1 3.72Å; F297-I323 HydrophobicContact CE2-CD1 4.04Å; F297-I323 HydrophobicContact CG-CD1 3.98Å; F297-M380 HydrophobicContact CD1-CE 4.44Å; F297-M380 HydrophobicContact CD1-SD 3.89Å; F297-M380 HydrophobicContact CE1-SD 3.85Å; F297-V382 HydrophobicContact CE1-CG2 4.04Å; F297-V382 HydrophobicContact CZ-CG2 4.43Å
298	K	97.8	Very high	96.2	Very high	141 Å²	141	41 Å²	41	61%	0.613	22%	0.218	S	C	*	.			trans	-127.2	152.5	175.5	-56.8	-177.2	-174.5	173.9	0	109.2	G300 M301 I323	K298-G300 PolarHBondContact O-N 3.26Å; K298-M301 HydrophobicContact CB-CE 3.86Å; K298-M301 HydrophobicContact CB-CG 4.15Å; K298-M301 HydrophobicContact CB-SD 3.84Å; K298-M301 HydrophobicContact CD-CE 3.82Å; K298-M301 HydrophobicContact CG-CE 3.82Å; K298-M301 HydrophobicContact CG-SD 4.17Å; K298-M301 PolarHBondContact N-SD 2.97Å; K298-M301 WeakPolarHBondContact O-CB 3.32Å; K298-M301 WeakPolarHBondContact O-CG 3.42Å; K298-M301 PolarHBondContact O-N 2.74Å; K298-I323 WeakPolarHBondContact O-CG2 3.5Å
299	D	98.2	Very high	96.3	Very high	109 Å²	109	39.6 Å²	39.6	58%	0.583	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.6	134.5	177	-168.2	55.5	0	0	0	111.5	I321 T322	D299-I321 HydrophobicContact CB-CB 4.06Å; D299-I321 HydrophobicContact CB-CG2 4.14Å; D299-T322 PolarHBondContact OD1-N 2.97Å
300	G	97.8	Very high	96.3	Very high	50 Å²	50	39.6 Å²	39.6	52%	0.515	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.4	-3.5	-179.3	0	0	0	0	0	116.2	K298 T322	K298-G300 PolarHBondContact O-N 3.26Å; G300-T322 PolarHBondContact N-O 3.05Å
301	M	98.5	Very high	96.2	Very high	32 Å²	32	41 Å²	41	16%	0.158	22%	0.223	C	C	.	.			trans	-69.3	145.9	-177.4	-77.5	-177.3	162	0	0	113.9	K298 V303 I323 T324 D379 M380	K298-M301 HydrophobicContact CB-CE 3.86Å; K298-M301 HydrophobicContact CB-CG 4.15Å; K298-M301 HydrophobicContact CB-SD 3.84Å; K298-M301 HydrophobicContact CD-CE 3.82Å; K298-M301 HydrophobicContact CG-CE 3.82Å; K298-M301 HydrophobicContact CG-SD 4.17Å; K298-M301 PolarHBondContact N-SD 2.97Å; K298-M301 WeakPolarHBondContact O-CB 3.32Å; K298-M301 WeakPolarHBondContact O-CG 3.42Å; K298-M301 PolarHBondContact O-N 2.74Å; M301-V303 HydrophobicContact CB-CG2 3.89Å; M301-I323 HydrophobicContact CB-CG2 4.18Å; M301-I323 CarbonylContact O-C 3.59Å; M301-I323 WeakPolarHBondContact O-CA 3.34Å; M301-I323 WeakPolarHBondContact O-CB 3.49Å; M301-T324 PolarHBondContact O-N 3.21Å; M301-D379 WeakPolarHBondContact CA-OD2 3.48Å; M301-D379 HydrophobicContact CB-CB 4.22Å; M301-D379 HydrophobicContact CE-CB 4.47Å; M301-D379 HydrophobicContact CG-CB 3.98Å; M301-D379 HydrophobicContact SD-CB 4.46Å; M301-M380 HydrophobicContact CE-CE 4.49Å; M301-M380 HydrophobicContact SD-CE 4.16Å
302	Y	98.7	Very high	96.1	Very high	95 Å²	95	39.2 Å²	39.2	37%	0.373	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	117.8	162.9	-71.1	-91	0	0	0	110.1	T324 L332 D379 M380	Y302-T324 WeakPolarHBondContact CA-O 3.48Å; Y302-T324 HydrophobicContact CD1-CG2 3.76Å; Y302-T324 HydrophobicContact CE1-CG2 3.62Å; Y302-L332 HydrophobicContact CD1-CD1 3.68Å; Y302-L332 HydrophobicContact CD1-CG 4.48Å; Y302-L332 HydrophobicContact CE1-CD1 3.82Å; Y302-L332 HydrophobicContact CE1-CD2 4.03Å; Y302-L332 HydrophobicContact CE1-CG 4.14Å; Y302-D379 PolarHBondContact N-OD2 2.98Å; Y302-D379 PolarHBondContact O-N 2.67Å; Y302-M380 PolarHBondContact O-N 3.49Å
303	V	98.7	Very high	95.9	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	135.7	-171.7	-175.8	0	0	0	0	110.9	F297 M301 L305 I323 T324 L325 Q326 M380 V382	F297-V303 HydrophobicContact CD1-CG1 4.36Å; F297-V303 HydrophobicContact CD1-CG2 4.19Å; F297-V303 HydrophobicContact CE1-CG1 3.78Å; F297-V303 HydrophobicContact CE1-CG2 4.43Å; F297-V303 HydrophobicContact CZ-CG1 4.3Å; M301-V303 HydrophobicContact CB-CG2 3.89Å; V303-L305 HydrophobicContact CG1-CD2 3.76Å; V303-L305 HydrophobicContact CG1-CG 4.37Å; V303-I323 HydrophobicContact CB-CD1 4.35Å; V303-I323 HydrophobicContact CG2-CD1 4.12Å; V303-T324 PolarHBondContact N-O 3.38Å; V303-L325 HydrophobicContact CB-CD2 4.1Å; V303-L325 HydrophobicContact CG1-CD2 4.46Å; V303-L325 CarbonylContact O-C 3.56Å; V303-L325 VanDerWaalsContact O-CA 3.32Å; V303-L325 WeakPolarHBondContact O-CA 3.18Å; V303-Q326 PolarHBondContact O-N 3.02Å; V303-M380 WeakPolarHBondContact CA-O 3.45Å; V303-M380 HydrophobicContact CG1-CB 4.41Å; V303-M380 HydrophobicContact CG2-CB 4.34Å; V303-V382 HydrophobicContact CG1-CG2 4.45Å
304	N	98.6	Very high	95.6	Very high	3 Å²	3	40.8 Å²	40.8	2%	0.016	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	134.6	167.6	178.3	-72.1	0	0	0	110.4	Q326 L378 M380 T381 V382 L413	N304-Q326 PolarHBondContact ND2-O 3.46Å; N304-Q326 VanDerWaalsContact ND2-O 3.12Å; N304-Q326 PolarHBondContact ND2-OE1 2.99Å; N304-L378 HydrophobicContact CB-CD1 3.65Å; N304-M380 PolarHBondContact N-O 3.5Å; N304-T381 CarbonylContact O-C 3.52Å; N304-T381 WeakPolarHBondContact O-CA 3.18Å; N304-V382 PolarHBondContact O-N 3.42Å; N304-L413 HydrophobicContact CB-CD2 3.85Å; N304-L413 VanDerWaalsContact CG-CD2 3.41Å; N304-L413 WeakPolarHBondContact OD1-CD1 3.44Å
305	L	97.4	Very high	95.2	Very high	23 Å²	23	46.2 Å²	46.2	12%	0.12	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	120.8	179.2	-57.2	179.1	0	0	0	109.9	F297 V303 C313 Q314 L325 V382	F297-L305 HydrophobicContact CE1-CD2 4.45Å; F297-L305 HydrophobicContact CZ-CD2 3.91Å; V303-L305 HydrophobicContact CG1-CD2 3.76Å; V303-L305 HydrophobicContact CG1-CG 4.37Å; L305-C313 HydrophobicContact CD1-CB 4.27Å; L305-C313 HydrophobicContact CD2-CB 4.26Å; L305-Q314 HydrophobicContact CD1-CB 4.26Å; L305-L325 HydrophobicContact CD1-CD1 4.24Å; L305-L325 HydrophobicContact CD1-CD2 3.86Å; L305-L325 HydrophobicContact CG-CD2 4.07Å; L305-V382 HydrophobicContact CD2-CB 3.8Å; L305-V382 HydrophobicContact CD2-CG2 3.72Å
306	G	94.5	Very high	95	Very high	11 Å²	11	44.7 Å²	44.7	11%	0.113	24%	0.244	C	C	.	.			trans	-68.1	167.8	173.3	0	0	0	0	0	113.3	P310 S311 V382	G306-P310 WeakPolarHBondContact O-CB 3.2Å; G306-S311 PolarHBondContact O-N 2.85Å; G306-S311 VanDerWaalsContact O-N 3.14Å; G306-V382 PolarHBondContact N-O 2.76Å
307	I	91.1	Very high	94.8	Very high	95 Å²	95	45 Å²	45	49%	0.487	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	149.7	176.3	63.6	173.2	0	0	0	112.1	P310 A350	I307-P310 WeakPolarHBondContact O-CD 3.34Å; I307-A350 HydrophobicContact CG2-CB 4.2Å
308	G	91.2	Very high	94.4	Very high	46 Å²	46	46.3 Å²	46.3	47%	0.474	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	93.4	-128.9	174	0	0	0	0	0	113.1	P310 S311	G308-P310 VanDerWaalsContact C-CD 3.45Å; G308-S311 PolarHBondContact O-N 2.71Å; G308-S311 PolarHBondContact O-OG 3.43Å
309	I	94.9	Very high	94	Very high	16 Å²	16	48 Å²	48	8%	0.082	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-42.3	-179.9	-56	175.1	0	0	0	112.3	R286 I289 A290 S311 L312 C424 E426	R286-I309 HydrophobicContact CB-CD1 4.41Å; R286-I309 HydrophobicContact CB-CG1 4.12Å; R286-I309 HydrophobicContact CG-CD1 3.93Å; R286-I309 HydrophobicContact CG-CG1 3.94Å; I289-I309 HydrophobicContact CB-CG2 3.91Å; I289-I309 HydrophobicContact CD1-CD1 4.01Å; I289-I309 HydrophobicContact CG2-CG2 3.61Å; A290-I309 HydrophobicContact CB-CG2 4.36Å; I309-S311 VanDerWaalsContact C-N 3.31Å; I309-S311 PolarHBondContact O-N 3.28Å; I309-L312 WeakPolarHBondContact O-CB 3.43Å; I309-L312 PolarHBondContact O-N 2.75Å; I309-L312 VanDerWaalsContact O-N 3.1Å; I309-C424 HydrophobicContact CB-CB 4.23Å; I309-C424 HydrophobicContact CG2-CB 3.86Å; I309-E426 HydrophobicContact CD1-CG 4.22Å
310	P	96.3	Very high	93.8	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-61	-34.2	-179.8	-21	30.3	0	0	0	114.4	G306 I307 G308 L312 C313 V382 C424	G306-P310 WeakPolarHBondContact O-CB 3.2Å; I307-P310 WeakPolarHBondContact O-CD 3.34Å; G308-P310 VanDerWaalsContact C-CD 3.45Å; P310-L312 PolarHBondContact O-N 2.78Å; P310-C313 WeakPolarHBondContact O-CB 3.32Å; P310-C313 PolarHBondContact O-N 3.27Å; P310-C313 PolarHBondContact O-SG 3.05Å; P310-V382 HydrophobicContact CB-CB 4.03Å; P310-V382 HydrophobicContact CB-CG1 3.81Å; P310-V382 WeakPolarHBondContact CB-O 3.36Å; P310-V382 HydrophobicContact CG-CG1 4.26Å; P310-C424 HydrophobicContact CG-CB 4.25Å
311	S	92.1	Very high	93.7	Very high	28 Å²	28	48.3 Å²	48.3	20%	0.196	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-66.2	-24.8	178.1	69.5	0	0	0	0	112.6	G306 G308 I309 C313 Q314	G306-S311 PolarHBondContact O-N 2.85Å; G306-S311 VanDerWaalsContact O-N 3.14Å; G308-S311 PolarHBondContact O-N 2.71Å; G308-S311 PolarHBondContact O-OG 3.43Å; I309-S311 VanDerWaalsContact C-N 3.31Å; I309-S311 PolarHBondContact O-N 3.28Å; S311-C313 PolarHBondContact O-N 3.07Å; S311-Q314 WeakPolarHBondContact O-CB 3.29Å; S311-Q314 PolarHBondContact O-N 3.36Å
312	L	91.6	Very high	93.5	Very high	39 Å²	39	51.6 Å²	51.6	20%	0.204	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-67.5	-20.4	174	-59.2	176.2	0	0	0	112.8	R286 A290 I309 P310 Q314 L315 Y316	R286-L312 HydrophobicContact CB-CD1 4.11Å; A290-L312 HydrophobicContact CB-CB 3.55Å; I309-L312 WeakPolarHBondContact O-CB 3.43Å; I309-L312 PolarHBondContact O-N 2.75Å; I309-L312 VanDerWaalsContact O-N 3.1Å; P310-L312 PolarHBondContact O-N 2.78Å; L312-Q314 PolarHBondContact O-N 2.89Å; L312-Q314 VanDerWaalsContact O-N 3.16Å; L312-L315 HydrophobicContact CD2-CD1 4.26Å; L312-L315 WeakPolarHBondContact O-CB 3.12Å; L312-L315 PolarHBondContact O-N 2.92Å; L312-Y316 WeakPolarHBondContact O-CD2 2.99Å
313	C	93.2	Very high	93.5	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-59	-28.3	178.4	-61.6	0	0	0	0	111.8	F297 L305 P310 S311 L315 Y316 I317	F297-C313 HydrophobicContact CE2-CB 3.94Å; F297-C313 HydrophobicContact CZ-CB 3.77Å; L305-C313 HydrophobicContact CD1-CB 4.27Å; L305-C313 HydrophobicContact CD2-CB 4.26Å; P310-C313 WeakPolarHBondContact O-CB 3.32Å; P310-C313 PolarHBondContact O-N 3.27Å; P310-C313 PolarHBondContact O-SG 3.05Å; S311-C313 PolarHBondContact O-N 3.07Å; C313-L315 PolarHBondContact O-N 3.14Å; C313-Y316 PolarHBondContact O-N 2.89Å; C313-I317 PolarHBondContact O-N 2.77Å
314	Q	90.4	Very high	93.4	Very high	46 Å²	46	49.9 Å²	49.9	22%	0.215	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-57.3	-31.7	175.9	-175.7	178.1	2.8	0	0	112.8	L305 S311 L312 Y316 I317 L325 G335	L305-Q314 HydrophobicContact CD1-CB 4.26Å; S311-Q314 WeakPolarHBondContact O-CB 3.29Å; S311-Q314 PolarHBondContact O-N 3.36Å; L312-Q314 PolarHBondContact O-N 2.89Å; L312-Q314 VanDerWaalsContact O-N 3.16Å; Q314-Y316 PolarHBondContact O-N 3.24Å; Q314-I317 HydrophobicContact CG-CD1 4.3Å; Q314-L325 HydrophobicContact CB-CD1 4.32Å; Q314-L325 HydrophobicContact CG-CD1 3.87Å; Q314-G335 PolarHBondContact NE2-O 2.91Å
315	L	87.8	Confident	93.4	Very high	114 Å²	114	50.2 Å²	50.2	60%	0.597	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	-72.7	-14.5	179.7	-59	175.8	0	0	0	113.3	L312 C313	L312-L315 HydrophobicContact CD2-CD1 4.26Å; L312-L315 WeakPolarHBondContact O-CB 3.12Å; L312-L315 PolarHBondContact O-N 2.92Å; C313-L315 PolarHBondContact O-N 3.14Å
316	Y	91.8	Very high	93.5	Very high	48 Å²	48	49.2 Å²	49.2	19%	0.188	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-121.5	9.8	-170.5	-62.2	-63	0	0	0	113.5	H287 A290 R291 A294 L312 C313 Q314 P318	H287-Y316 HydrophobicContact CB-CE2 4.28Å; H287-Y316 WeakPolarHBondContact CB-OH 3.31Å; H287-Y316 AromaticContact ND1-CE2 3.61Å; H287-Y316 AromaticContact ND1-CZ 3.57Å; H287-Y316 PolarHBondContact ND1-OH 3.05Å; A290-Y316 HydrophobicContact CB-CD2 4.11Å; A290-Y316 HydrophobicContact CB-CE2 4.24Å; R291-Y316 HydrophobicContact CB-CD1 4.09Å; R291-Y316 HydrophobicContact CB-CD2 3.96Å; R291-Y316 HydrophobicContact CB-CE1 4.34Å; R291-Y316 HydrophobicContact CB-CE2 4.2Å; R291-Y316 HydrophobicContact CB-CG 3.89Å; R291-Y316 HydrophobicContact CG-CD1 3.84Å; R291-Y316 HydrophobicContact CG-CE1 4.26Å; R291-Y316 HydrophobicContact CG-CG 4.01Å; A294-Y316 WeakPolarHBondContact CB-O 3.46Å; L312-Y316 WeakPolarHBondContact O-CD2 2.99Å; C313-Y316 PolarHBondContact O-N 2.89Å; Q314-Y316 PolarHBondContact O-N 3.24Å; Y316-P318 WeakPolarHBondContact O-CD 3.3Å
317	I	91.5	Very high	93.6	Very high	39 Å²	39	49 Å²	49	20%	0.2	28%	0.275	C	S	.	.			trans	-57.5	123.2	170.9	-59.9	167	0	0	0	107.8	F297 C313 Q314 I321 I323 L325	F297-I317 HydrophobicContact CD2-CG1 3.97Å; F297-I317 HydrophobicContact CE2-CG1 3.98Å; C313-I317 PolarHBondContact O-N 2.77Å; Q314-I317 HydrophobicContact CG-CD1 4.3Å; I317-I321 HydrophobicContact CG2-CD1 4.31Å; I317-I321 HydrophobicContact CG2-CG1 3.98Å; I317-I323 HydrophobicContact CD1-CD1 3.67Å; I317-I323 HydrophobicContact CD1-CG1 3.92Å; I317-I323 HydrophobicContact CG1-CD1 3.95Å; I317-I323 HydrophobicContact CG1-CG1 4.46Å; I317-I323 HydrophobicContact CG2-CD1 4.4Å; I317-I323 HydrophobicContact CG2-CG1 4.24Å; I317-L325 HydrophobicContact CD1-CD1 4.39Å
318	P	90.1	Very high	93.8	Very high	38 Å²	38	45 Å²	45	25%	0.247	25%	0.254	C	S	.	.			trans	-56.6	140.8	177.4	-24.5	32.9	0	0	0	112.2	Y316 D320 I321	Y316-P318 WeakPolarHBondContact O-CD 3.3Å; P318-D320 WeakPolarHBondContact CB-OD1 3.36Å; P318-D320 PolarHBondContact O-N 2.8Å; P318-I321 HydrophobicContact CB-CD1 4.48Å; P318-I321 HydrophobicContact CB-CG1 4.13Å; P318-I321 HydrophobicContact CG-CD1 4.14Å; P318-I321 HydrophobicContact CG-CG1 4.32Å; P318-I321 WeakPolarHBondContact O-CG1 3.35Å; P318-I321 PolarHBondContact O-N 2.76Å
319	N	89.5	Confident	94	Very high	176 Å²	176	42.9 Å²	42.9	94%	0.941	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-15.4	-176	-65.5	-36.8	0	0	0	113.7
320	D	93.8	Very high	94.1	Very high	136 Å²	136	42.1 Å²	42.1	73%	0.727	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.9	0	-179.2	61.8	-46.2	0	0	0	113.4	P318	P318-D320 WeakPolarHBondContact CB-OD1 3.36Å; P318-D320 PolarHBondContact O-N 2.8Å
321	I	95.5	Very high	94.2	Very high	29 Å²	29	42.1 Å²	42.1	15%	0.149	23%	0.228	C	C	.	.			trans	-122.6	151.4	174.8	73.5	171	0	0	0	111.5	F297 D299 I317 P318 I323	F297-I321 HydrophobicContact CB-CD1 3.7Å; D299-I321 HydrophobicContact CB-CB 4.06Å; D299-I321 HydrophobicContact CB-CG2 4.14Å; I317-I321 HydrophobicContact CG2-CD1 4.31Å; I317-I321 HydrophobicContact CG2-CG1 3.98Å; P318-I321 HydrophobicContact CB-CD1 4.48Å; P318-I321 HydrophobicContact CB-CG1 4.13Å; P318-I321 HydrophobicContact CG-CD1 4.14Å; P318-I321 HydrophobicContact CG-CG1 4.32Å; P318-I321 WeakPolarHBondContact O-CG1 3.35Å; P318-I321 PolarHBondContact O-N 2.76Å; I321-I323 HydrophobicContact CD1-CG2 4.12Å
322	T	95.2	Very high	94.6	Very high	101 Å²	101	42.4 Å²	42.4	62%	0.62	23%	0.228	S	C	*	.			trans	-115.5	123.7	170.4	-57.9	0	0	0	0	109.1	D299 G300	D299-T322 PolarHBondContact OD1-N 2.97Å; G300-T322 PolarHBondContact N-O 3.05Å
323	I	97.4	Very high	94.9	Very high	22 Å²	22	40.7 Å²	40.7	11%	0.113	22%	0.219	C	C	.	.			trans	-119.6	153.3	170	67.1	171.8	0	0	0	110	F297 K298 M301 V303 I317 I321 L325	F297-I323 HydrophobicContact CB-CD1 4.44Å; F297-I323 HydrophobicContact CB-CG2 4.18Å; F297-I323 HydrophobicContact CD2-CD1 3.72Å; F297-I323 HydrophobicContact CE2-CD1 4.04Å; F297-I323 HydrophobicContact CG-CD1 3.98Å; K298-I323 WeakPolarHBondContact O-CG2 3.5Å; M301-I323 HydrophobicContact CB-CG2 4.18Å; M301-I323 CarbonylContact O-C 3.59Å; M301-I323 WeakPolarHBondContact O-CA 3.34Å; M301-I323 WeakPolarHBondContact O-CB 3.49Å; V303-I323 HydrophobicContact CB-CD1 4.35Å; V303-I323 HydrophobicContact CG2-CD1 4.12Å; I317-I323 HydrophobicContact CD1-CD1 3.67Å; I317-I323 HydrophobicContact CD1-CG1 3.92Å; I317-I323 HydrophobicContact CG1-CD1 3.95Å; I317-I323 HydrophobicContact CG1-CG1 4.46Å; I317-I323 HydrophobicContact CG2-CD1 4.4Å; I317-I323 HydrophobicContact CG2-CG1 4.24Å; I321-I323 HydrophobicContact CD1-CG2 4.12Å; I323-L325 HydrophobicContact CD1-CD2 3.71Å; I323-L325 HydrophobicContact CD1-CG 4.46Å; I323-L325 HydrophobicContact CG1-CD2 4.27Å
324	T	98.5	Very high	95.1	Very high	38 Å²	38	41.7 Å²	41.7	23%	0.233	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	113.9	172.8	-57.9	0	0	0	0	109.3	M301 Y302 V303 L332	M301-T324 PolarHBondContact O-N 3.21Å; Y302-T324 WeakPolarHBondContact CA-O 3.48Å; Y302-T324 HydrophobicContact CD1-CG2 3.76Å; Y302-T324 HydrophobicContact CE1-CG2 3.62Å; V303-T324 PolarHBondContact N-O 3.38Å; T324-L332 HydrophobicContact CG2-CD1 3.84Å; T324-L332 HydrophobicContact CG2-CG 3.8Å
325	L	98.5	Very high	95.3	Very high	9 Å²	9	39.5 Å²	39.5	5%	0.047	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	119.3	175.4	-65.3	-177.7	0	0	0	110.3	V303 L305 Q314 I317 I323 G333 L334	V303-L325 HydrophobicContact CB-CD2 4.1Å; V303-L325 HydrophobicContact CG1-CD2 4.46Å; V303-L325 CarbonylContact O-C 3.56Å; V303-L325 VanDerWaalsContact O-CA 3.32Å; V303-L325 WeakPolarHBondContact O-CA 3.18Å; L305-L325 HydrophobicContact CD1-CD1 4.24Å; L305-L325 HydrophobicContact CD1-CD2 3.86Å; L305-L325 HydrophobicContact CG-CD2 4.07Å; Q314-L325 HydrophobicContact CB-CD1 4.32Å; Q314-L325 HydrophobicContact CG-CD1 3.87Å; I317-L325 HydrophobicContact CD1-CD1 4.39Å; I323-L325 HydrophobicContact CD1-CD2 3.71Å; I323-L325 HydrophobicContact CD1-CG 4.46Å; I323-L325 HydrophobicContact CG1-CD2 4.27Å; L325-G333 PolarHBondContact O-N 3.14Å; L325-L334 HydrophobicContact CB-CB 3.8Å; L325-L334 PolarHBondContact O-N 3.08Å
326	Q	98.4	Very high	95.5	Very high	3 Å²	3	37.5 Å²	37.5	1%	0.014	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	129.7	171.6	-169.8	-85.3	-9.4	0	0	109	V303 N304 I331 L332 S369 L378	V303-Q326 PolarHBondContact O-N 3.02Å; N304-Q326 PolarHBondContact ND2-O 3.46Å; N304-Q326 VanDerWaalsContact ND2-O 3.12Å; N304-Q326 PolarHBondContact ND2-OE1 2.99Å; Q326-I331 CarbonylContact C-O 3.37Å; Q326-I331 WeakPolarHBondContact CA-O 3.49Å; Q326-L332 HydrophobicContact CB-CD1 3.82Å; Q326-L332 HydrophobicContact CG-CD1 3.88Å; Q326-S369 PolarHBondContact NE2-OG 2.96Å; Q326-S369 VanDerWaalsContact NE2-OG 3.13Å; Q326-L378 HydrophobicContact CB-CD2 3.73Å; Q326-L378 HydrophobicContact CG-CD2 4Å
327	S	97.7	Very high	95.6	Very high	5 Å²	5	38.1 Å²	38.1	4%	0.035	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	127.4	168.5	-161.8	0	0	0	0	108.7	V329 G330 I331 A350	S327-V329 PolarHBondContact O-N 2.77Å; S327-G330 PolarHBondContact O-N 2.88Å; S327-I331 PolarHBondContact N-O 3.12Å; S327-I331 PolarHBondContact O-N 3.17Å; S327-I331 VanDerWaalsContact O-N 3.14Å; S327-A350 PolarHBondContact OG-N 2.92Å
328	D	94.9	Very high	95.8	Very high	11 Å²	11	36.2 Å²	36.2	6%	0.059	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-21.5	179.1	60.7	-11.9	0	0	0	114.2	G330 A350 S369 F370 I373	D328-G330 PolarHBondContact O-N 2.8Å; D328-A350 VanDerWaalsContact OD1-CB 3.25Å; D328-A350 WeakPolarHBondContact OD1-CB 3.44Å; D328-S369 VanDerWaalsContact CA-OG 3.29Å; D328-S369 WeakPolarHBondContact CA-OG 3.31Å; D328-S369 WeakPolarHBondContact O-CB 3.28Å; D328-S369 PolarHBondContact O-OG 3.46Å; D328-F370 HydrophobicContact CB-CE1 4.16Å; D328-F370 HydrophobicContact CB-CE2 4.47Å; D328-F370 HydrophobicContact CB-CZ 3.83Å; D328-I373 HydrophobicContact CB-CD1 4.03Å
329	V	94.9	Very high	96.1	Very high	2 Å²	2	41 Å²	41	1%	0.012	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	0.4	175	-48	0	0	0	0	115.1	L53 T215 S327 I348 A350	L53-V329 HydrophobicContact CD2-CB 3.62Å; L53-V329 HydrophobicContact CD2-CG1 3.19Å; T215-V329 HydrophobicContact CG2-CG2 3.94Å; S327-V329 PolarHBondContact O-N 2.77Å; V329-I348 VanDerWaalsContact CG2-O 3.22Å; V329-I348 WeakPolarHBondContact CG2-O 3.21Å; V329-A350 HydrophobicContact CG1-CB 4.38Å
330	G	97.7	Very high	96.4	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	113.6	34.9	172.3	0	0	0	0	0	115.4	S327 D328 Y363 F364	S327-G330 PolarHBondContact O-N 2.88Å; D328-G330 PolarHBondContact O-N 2.8Å; G330-Y363 VanDerWaalsContact O-CA 3.32Å; G330-Y363 WeakPolarHBondContact O-CA 3.29Å; G330-F364 VanDerWaalsContact CA-CE2 3.43Å; G330-F364 PolarHBondContact O-N 3.04Å
331	I	98.7	Very high	96.5	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	132.6	176.2	-52.1	174.7	0	0	0	110	T215 Q326 S327 L334 L347 I348 V355 V357 Y363	T215-I331 HydrophobicContact CG2-CD1 3.47Å; T215-I331 VanDerWaalsContact CG2-CD1 3.47Å; T215-I331 HydrophobicContact CG2-CG1 3.2Å; Q326-I331 CarbonylContact C-O 3.37Å; Q326-I331 WeakPolarHBondContact CA-O 3.49Å; S327-I331 PolarHBondContact N-O 3.12Å; S327-I331 PolarHBondContact O-N 3.17Å; S327-I331 VanDerWaalsContact O-N 3.14Å; I331-L334 HydrophobicContact CD1-CD1 3.77Å; I331-L334 HydrophobicContact CG2-CB 4.25Å; I331-L347 HydrophobicContact CD1-CD1 3.79Å; I331-L347 HydrophobicContact CG1-CD1 4.48Å; I331-I348 WeakPolarHBondContact CD1-O 3.21Å; I331-V355 HydrophobicContact CD1-CG2 4.07Å; I331-V357 HydrophobicContact CD1-CG1 4.49Å; I331-V357 HydrophobicContact CG2-CG1 3.8Å; I331-Y363 HydrophobicContact CG1-CD1 4.2Å; I331-Y363 HydrophobicContact CG1-CE1 4.16Å
332	L	98.6	Very high	96.6	Very high	35 Å²	35	38.1 Å²	38.1	18%	0.183	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	116.2	161	-169.5	69.1	0	0	0	107.2	Y302 T324 Q326 A361 S362 F364	Y302-L332 HydrophobicContact CD1-CD1 3.68Å; Y302-L332 HydrophobicContact CD1-CG 4.48Å; Y302-L332 HydrophobicContact CE1-CD1 3.82Å; Y302-L332 HydrophobicContact CE1-CD2 4.03Å; Y302-L332 HydrophobicContact CE1-CG 4.14Å; T324-L332 HydrophobicContact CG2-CD1 3.84Å; T324-L332 HydrophobicContact CG2-CG 3.8Å; Q326-L332 HydrophobicContact CB-CD1 3.82Å; Q326-L332 HydrophobicContact CG-CD1 3.88Å; L332-A361 CarbonylContact O-C 3.49Å; L332-A361 WeakPolarHBondContact O-CA 3.46Å; L332-A361 VanDerWaalsContact O-CB 3.23Å; L332-A361 WeakPolarHBondContact O-CB 3.27Å; L332-S362 PolarHBondContact N-O 3.17Å; L332-S362 PolarHBondContact O-N 2.83Å; L332-F364 HydrophobicContact CB-CE1 3.62Å; L332-F364 HydrophobicContact CB-CZ 4.09Å; L332-F364 VanDerWaalsContact N-CE1 3.35Å
333	G	98.2	Very high	96.6	Very high	2 Å²	2	36.1 Å²	36.1	2%	0.021	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	97	45.6	-167.7	0	0	0	0	0	113.2	L325 G335 V357 V358	L325-G333 PolarHBondContact O-N 3.14Å; G333-G335 PolarHBondContact O-N 2.74Å; G333-V357 WeakPolarHBondContact O-CA 3.36Å; G333-V357 WeakPolarHBondContact O-CB 3.2Å; G333-V358 PolarHBondContact O-N 3.27Å
334	L	97.7	Very high	96.7	Very high	22 Å²	22	35.8 Å²	35.8	12%	0.115	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	130.1	173.1	178.1	70.1	0	0	0	110.8	L325 I331 N349 V355	L325-L334 HydrophobicContact CB-CB 3.8Å; L325-L334 PolarHBondContact O-N 3.08Å; I331-L334 HydrophobicContact CD1-CD1 3.77Å; I331-L334 HydrophobicContact CG2-CB 4.25Å; L334-N349 HydrophobicContact CD1-CB 4.42Å; L334-V355 HydrophobicContact CD1-CB 3.84Å; L334-V355 HydrophobicContact CD1-CG1 4.1Å; L334-V355 HydrophobicContact CD1-CG2 3.55Å
335	G	94.7	Very high	96.6	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	20%	0.202	C	C	.	.			trans	-100.5	-173.7	179.5	0	0	0	0	0	113	Q314 G333 T356	Q314-G335 PolarHBondContact NE2-O 2.91Å; G333-G335 PolarHBondContact O-N 2.74Å; G335-T356 VanDerWaalsContact CA-O 3.27Å; G335-T356 WeakPolarHBondContact CA-O 3.38Å; G335-T356 PolarHBondContact N-O 3.46Å
336	P	92.9	Very high	96.6	Very high	72 Å²	72	35.1 Å²	35.1	47%	0.468	20%	0.2	S	C	.	.			trans	-69	174.8	176.5	30.7	-37.4	0	0	0	112.5	T356	P336-T356 WeakPolarHBondContact CD-OG1 3.38Å; P336-T356 PolarHBondContact O-N 3.5Å; P336-T356 PolarHBondContact O-OG1 2.92Å; P336-T356 VanDerWaalsContact O-OG1 3.12Å
337	Y	94	Very high	96.6	Very high	60 Å²	60	35.3 Å²	35.3	24%	0.235	20%	0.201	C	C	.	.	P	Polyproline II helix	trans	-59.6	147	166	-64.4	-67.4	0	0	0	111.2	V271 A273 E353 T354 V355	V271-Y337 HydrophobicContact CB-CD1 3.83Å; V271-Y337 HydrophobicContact CB-CE1 3.94Å; V271-Y337 HydrophobicContact CG1-CD1 3.58Å; V271-Y337 HydrophobicContact CG1-CD2 4.28Å; V271-Y337 HydrophobicContact CG1-CE1 3.66Å; V271-Y337 HydrophobicContact CG1-CE2 4.34Å; V271-Y337 HydrophobicContact CG1-CG 3.92Å; A273-Y337 WeakPolarHBondContact CB-O 3.36Å; Y337-E353 HydrophobicContact CE1-CB 4.02Å; Y337-E353 WeakPolarHBondContact CE1-OE2 2.91Å; Y337-E353 PolarHBondContact OH-OE2 2.94Å; Y337-T354 VanDerWaalsContact CD1-O 3.32Å; Y337-T354 WeakPolarHBondContact CD1-O 3.41Å; Y337-V355 HydrophobicContact CD1-CG1 4.22Å; Y337-V355 HydrophobicContact CE1-CG1 4.32Å
338	P	96.1	Very high	96.6	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	20%	0.202	C	C	.	.	P	Polyproline II helix	trans	-69.1	153.7	-179.3	29.4	-37.1	0	0	0	112.1	V271 Y272 A273 Q342 E343 T354 T356	V271-P338 WeakPolarHBondContact O-CD 3.39Å; Y272-P338 CarbonylContact C-O 3.48Å; Y272-P338 VanDerWaalsContact CA-O 3.32Å; Y272-P338 WeakPolarHBondContact CA-O 3.14Å; Y272-P338 HydrophobicContact CD1-CG 4.39Å; A273-P338 PolarHBondContact N-O 2.88Å; P338-Q342 HydrophobicContact CB-CB 3.83Å; P338-E343 HydrophobicContact CG-CB 4.13Å; P338-T354 WeakPolarHBondContact CD-O 3.46Å; P338-T356 HydrophobicContact CB-CG2 3.93Å
339	K	96	Very high	96.6	Very high	138 Å²	138	35.6 Å²	35.6	60%	0.6	20%	0.203	S	C	*	.	P	Polyproline II helix	trans	-78.2	158.8	159.1	-62.8	177.5	-179	177.1	0	109.4	G341 Q342	K339-G341 PolarHBondContact O-N 3.17Å; K339-Q342 HydrophobicContact CB-CG 4.38Å; K339-Q342 VanDerWaalsContact N-OE1 3.11Å; K339-Q342 VanDerWaalsContact O-CB 3.3Å; K339-Q342 WeakPolarHBondContact O-CB 3.49Å; K339-Q342 PolarHBondContact O-N 2.71Å
340	P	95.7	Very high	96.4	Very high	100 Å²	100	37 Å²	37	65%	0.649	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.5	131.3	171.9	-27.7	35.9	0	0	0	112.4	Y272	Y272-P340 HydrophobicContact CD1-CG 4.13Å; Y272-P340 HydrophobicContact CE1-CB 4.27Å; Y272-P340 HydrophobicContact CE1-CG 4.27Å; Y272-P340 HydrophobicContact CG-CG 4.28Å
341	G	95.7	Very high	96.1	Very high	72 Å²	72	37.4 Å²	37.4	74%	0.742	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	88.2	-4.4	-173.4	0	0	0	0	0	115.1	K339 E343	K339-G341 PolarHBondContact O-N 3.17Å; G341-E343 VanDerWaalsContact CA-OE2 3.3Å; G341-E343 WeakPolarHBondContact CA-OE2 3.4Å; G341-E343 PolarHBondContact N-OE2 3.27Å
342	Q	96.4	Very high	95.8	Very high	109 Å²	109	38 Å²	38	51%	0.509	22%	0.221	S	C	.	.			trans	-108	-7.6	177.2	-56.7	-175.7	-42.5	0	0	113.4	P338 K339	P338-Q342 HydrophobicContact CB-CB 3.83Å; K339-Q342 HydrophobicContact CB-CG 4.38Å; K339-Q342 VanDerWaalsContact N-OE1 3.11Å; K339-Q342 VanDerWaalsContact O-CB 3.3Å; K339-Q342 WeakPolarHBondContact O-CB 3.49Å; K339-Q342 PolarHBondContact O-N 2.71Å
343	E	97.1	Very high	95.6	Very high	59 Å²	59	37.5 Å²	37.5	28%	0.276	22%	0.218	S	C	.	.			trans	-60.6	146.4	174.5	66.8	-84.3	-150.6	0	0	111.6	I267 L270 Y272 P338 G341 T354	I267-E343 HydrophobicContact CD1-CB 4.34Å; I267-E343 HydrophobicContact CD1-CG 4.06Å; L270-E343 HydrophobicContact CD1-CB 3.76Å; L270-E343 HydrophobicContact CD1-CG 3.92Å; Y272-E343 HydrophobicContact CE1-CB 4.24Å; Y272-E343 HydrophobicContact CE1-CG 4.3Å; Y272-E343 WeakPolarHBondContact CE1-OE2 3.36Å; Y272-E343 VanDerWaalsContact OH-CD 3.29Å; Y272-E343 PolarHBondContact OH-OE1 3.33Å; P338-E343 HydrophobicContact CG-CB 4.13Å; G341-E343 VanDerWaalsContact CA-OE2 3.3Å; G341-E343 WeakPolarHBondContact CA-OE2 3.4Å; G341-E343 PolarHBondContact N-OE2 3.27Å; E343-T354 HydrophobicContact CB-CG2 4.16Å
344	D	98	Very high	95.6	Very high	15 Å²	15	37.4 Å²	37.4	8%	0.08	22%	0.217	C	C	.	.			trans	-146.1	125.2	-178.8	-168.4	-39.2	0	0	0	109.5	R213 K214 D346 L347	R213-D344 IonicContact CZ-OD1 2.71Å; R213-D344 IonicContact CZ-OD2 3.77Å; R213-D344 VanDerWaalsContact NH1-CG 3.27Å; R213-D344 IonicContact NH1-OD1 3.27Å; R213-D344 PolarHBondContact NH1-OD1 2.61Å; R213-D344 IonicContact NH1-OD2 2.74Å; R213-D344 PolarHBondContact NH1-OD2 3.32Å; R213-D344 IonicContact NH2-OD1 2.61Å; R213-D344 IonicContact NH2-OD2 3.97Å; R213-D344 PolarHBondContact NH2-OD2 3.03Å; K214-D344 WeakPolarHBondContact CE-OD2 3.43Å; K214-D344 IonicContact NZ-OD2 3.73Å; K214-D344 PolarHBondContact NZ-OD2 3.13Å; D344-D346 PolarHBondContact O-N 2.7Å; D344-D346 PolarHBondContact OD1-N 3.46Å; D344-L347 HydrophobicContact CB-CB 3.95Å; D344-L347 PolarHBondContact O-N 3.42Å
345	P	97	Very high	95.5	Very high	29 Å²	29	36.5 Å²	36.5	19%	0.188	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-20	179.9	26.6	-35.7	0	0	0	113.9	K265 I267	K265-P345 HydrophobicContact CB-CB 3.96Å; K265-P345 HydrophobicContact CB-CG 3.82Å; K265-P345 HydrophobicContact CD-CB 4.44Å; K265-P345 HydrophobicContact CD-CG 3.91Å; K265-P345 HydrophobicContact CG-CG 4.48Å; I267-P345 HydrophobicContact CG1-CB 3.81Å
346	D	98.1	Very high	95.7	Very high	4 Å²	4	37.9 Å²	37.9	2%	0.021	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.9	7.7	177.8	-54.4	-38.6	0	0	0	112.6	R213 K214 T215 A216 K265 D344	R213-D346 IonicContact CZ-OD2 3.16Å; R213-D346 IonicContact NH1-OD2 2.94Å; R213-D346 PolarHBondContact NH1-OD2 3.31Å; K214-D346 HydrophobicContact CB-CB 4.46Å; K214-D346 WeakPolarHBondContact CB-O 3.32Å; T215-D346 PolarHBondContact N-O 2.62Å; T215-D346 PolarHBondContact OG1-O 3.49Å; A216-D346 HydrophobicContact CB-CB 3.78Å; A216-D346 PolarHBondContact N-O 2.85Å; K265-D346 IonicContact NZ-OD1 2.73Å; K265-D346 IonicContact NZ-OD2 3.24Å; K265-D346 PolarHBondContact NZ-OD2 3.21Å; D344-D346 PolarHBondContact O-N 2.7Å; D344-D346 PolarHBondContact OD1-N 3.46Å
347	L	98.5	Very high	95.9	Very high	7 Å²	7	36.7 Å²	36.7	4%	0.037	21%	0.212	C	C	.	.			trans	-129.1	93	-179.3	-169.4	55.9	0	0	0	112	K214 T215 I331 D344 V355 V357 Y363	K214-L347 HydrophobicContact CB-CD1 4.29Å; K214-L347 HydrophobicContact CD-CB 3.94Å; K214-L347 HydrophobicContact CD-CD1 4.39Å; K214-L347 HydrophobicContact CD-CD2 4.2Å; K214-L347 HydrophobicContact CD-CG 4.4Å; T215-L347 HydrophobicContact CG2-CD1 4.12Å; T215-L347 VanDerWaalsContact OG1-CA 3.3Å; T215-L347 WeakPolarHBondContact OG1-CA 3.44Å; I331-L347 HydrophobicContact CD1-CD1 3.79Å; I331-L347 HydrophobicContact CG1-CD1 4.48Å; D344-L347 HydrophobicContact CB-CB 3.95Å; D344-L347 PolarHBondContact O-N 3.42Å; L347-V355 HydrophobicContact CD1-CG2 4.49Å; L347-V355 WeakPolarHBondContact CD2-O 3.33Å; L347-V355 HydrophobicContact CG-CG2 4.17Å; L347-V355 VanDerWaalsContact CG-O 3.31Å; L347-V355 WeakPolarHBondContact CG-O 3.21Å; L347-V355 PolarHBondContact O-N 3.14Å; L347-V355 VanDerWaalsContact O-N 3.15Å; L347-V357 HydrophobicContact CD1-CG1 4.07Å; L347-V357 HydrophobicContact CD2-CG1 4.4Å; L347-Y363 HydrophobicContact CD1-CE1 3.52Å
348	I	97	Very high	96	Very high	7 Å²	7	37 Å²	37	4%	0.036	22%	0.22	C	C	.	.	B	Isolated β-bridge	trans	-125.3	163.1	-176.7	61.4	164.1	0	0	0	112.4	L53 C56 T215 V329 I331 M352 E353	L53-I348 HydrophobicContact CD2-CD1 3.97Å; C56-I348 HydrophobicContact CB-CD1 3.44Å; C56-I348 VanDerWaalsContact CB-CD1 3.44Å; C56-I348 HydrophobicContact CB-CG1 3.89Å; C56-I348 HydrophobicContact CB-CG2 4.37Å; T215-I348 PolarHBondContact OG1-N 2.92Å; V329-I348 VanDerWaalsContact CG2-O 3.22Å; V329-I348 WeakPolarHBondContact CG2-O 3.21Å; I331-I348 WeakPolarHBondContact CD1-O 3.21Å; I348-M352 HydrophobicContact CD1-CB 4.27Å; I348-M352 HydrophobicContact CD1-CG 4.3Å; I348-E353 CarbonylContact C-O 3.54Å; I348-E353 WeakPolarHBondContact CA-O 3.47Å
349	N	95.3	Very high	96.1	Very high	15 Å²	15	43.3 Å²	43.3	8%	0.08	26%	0.261	C	S	.	.			trans	-96.6	-176	166.5	68.3	14.6	0	0	0	112	L334 G351 M352 E353 V355	L334-N349 HydrophobicContact CD1-CB 4.42Å; N349-G351 PolarHBondContact O-N 3.29Å; N349-G351 VanDerWaalsContact O-N 3.15Å; N349-G351 VanDerWaalsContact OD1-CA 3.28Å; N349-G351 WeakPolarHBondContact OD1-CA 3.43Å; N349-G351 PolarHBondContact OD1-N 3.41Å; N349-M352 WeakPolarHBondContact O-CA 3.49Å; N349-M352 PolarHBondContact O-N 3.46Å; N349-M352 PolarHBondContact OD1-N 3.13Å; N349-E353 PolarHBondContact N-O 2.82Å; N349-E353 PolarHBondContact ND2-OE2 3.23Å; N349-E353 VanDerWaalsContact ND2-OE2 3.16Å; N349-E353 WeakPolarHBondContact OD1-CB 3.32Å; N349-E353 PolarHBondContact OD1-N 3.28Å; N349-V355 HydrophobicContact CB-CG1 3.78Å; N349-V355 HydrophobicContact CB-CG2 4.39Å
350	A	92	Very high	96.1	Very high	32 Å²	32	40.9 Å²	40.9	26%	0.264	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-27.2	175.2	0	0	0	0	0	114.4	I307 S327 D328 V329 M352	I307-A350 HydrophobicContact CG2-CB 4.2Å; S327-A350 PolarHBondContact OG-N 2.92Å; D328-A350 VanDerWaalsContact OD1-CB 3.25Å; D328-A350 WeakPolarHBondContact OD1-CB 3.44Å; V329-A350 HydrophobicContact CG1-CB 4.38Å; A350-M352 PolarHBondContact O-N 3.45Å
351	G	90.9	Very high	96.2	Very high	8 Å²	8	37.5 Å²	37.5	8%	0.082	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	3.5	175.2	0	0	0	0	0	114.1	R269 N349 E353	R269-G351 WeakPolarHBondContact CD-O 3.34Å; R269-G351 PolarHBondContact NH1-O 3.39Å; N349-G351 PolarHBondContact O-N 3.29Å; N349-G351 VanDerWaalsContact O-N 3.15Å; N349-G351 VanDerWaalsContact OD1-CA 3.28Å; N349-G351 WeakPolarHBondContact OD1-CA 3.43Å; N349-G351 PolarHBondContact OD1-N 3.41Å; G351-E353 PolarHBondContact O-N 2.86Å
352	M	93.1	Very high	96.4	Very high	12 Å²	12	36.5 Å²	36.5	6%	0.059	24%	0.238	C	C	.	.	S	Bend	trans	61.4	23.4	-172	-49.5	174.2	-147.4	0	0	112.8	T80 Y104 E268 R269 I348 N349 A350	T80-M352 HydrophobicContact CG2-CE 3.65Å; Y104-M352 HydrophobicContact CD1-CE 3.7Å; Y104-M352 HydrophobicContact CE1-CE 3.76Å; E268-M352 HydrophobicContact CB-CB 4.41Å; R269-M352 WeakPolarHBondContact CB-O 3.46Å; R269-M352 PolarHBondContact N-O 3.43Å; I348-M352 HydrophobicContact CD1-CB 4.27Å; I348-M352 HydrophobicContact CD1-CG 4.3Å; N349-M352 WeakPolarHBondContact O-CA 3.49Å; N349-M352 PolarHBondContact O-N 3.46Å; N349-M352 PolarHBondContact OD1-N 3.13Å; A350-M352 PolarHBondContact O-N 3.45Å
353	E	94.3	Very high	96.5	Very high	24 Å²	24	34.1 Å²	34.1	11%	0.112	22%	0.224	C	C	.	.	B	Isolated β-bridge	trans	-91.6	141.6	179	-56.6	167.4	166.5	0	0	110.2	R269 V271 Y337 I348 N349 G351 V355	R269-E353 HydrophobicContact CB-CG 4.1Å; R269-E353 IonicContact CZ-OE1 3.02Å; R269-E353 VanDerWaalsContact CZ-OE1 3.24Å; R269-E353 IonicContact NH1-OE1 3.25Å; R269-E353 PolarHBondContact NH1-OE1 2.97Å; R269-E353 IonicContact NH2-OE1 3.35Å; R269-E353 PolarHBondContact NH2-OE1 2.8Å; R269-E353 VanDerWaalsContact O-CA 3.24Å; R269-E353 WeakPolarHBondContact O-CA 3.3Å; V271-E353 HydrophobicContact CB-CB 4.27Å; V271-E353 HydrophobicContact CG2-CB 3.84Å; V271-E353 HydrophobicContact CG2-CG 3.76Å; Y337-E353 HydrophobicContact CE1-CB 4.02Å; Y337-E353 WeakPolarHBondContact CE1-OE2 2.91Å; Y337-E353 PolarHBondContact OH-OE2 2.94Å; I348-E353 CarbonylContact C-O 3.54Å; I348-E353 WeakPolarHBondContact CA-O 3.47Å; N349-E353 PolarHBondContact N-O 2.82Å; N349-E353 PolarHBondContact ND2-OE2 3.23Å; N349-E353 VanDerWaalsContact ND2-OE2 3.16Å; N349-E353 WeakPolarHBondContact OD1-CB 3.32Å; N349-E353 PolarHBondContact OD1-N 3.28Å; G351-E353 PolarHBondContact O-N 2.86Å; E353-V355 PolarHBondContact O-N 2.8Å
354	T	96.5	Very high	96.5	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	22%	0.215	C	C	.	.	B	Isolated β-bridge	trans	-61	133.4	175.8	48.7	0	0	0	0	111.8	I267 R269 L270 V271 Y337 P338 E343	I267-T354 HydrophobicContact CD1-CG2 4.07Å; I267-T354 HydrophobicContact CG1-CG2 4.43Å; I267-T354 HydrophobicContact CG2-CG2 3.42Å; I267-T354 VanDerWaalsContact CG2-CG2 3.42Å; R269-T354 PolarHBondContact O-N 3.14Å; R269-T354 VanDerWaalsContact O-N 3.17Å; L270-T354 HydrophobicContact CD1-CG2 3.9Å; V271-T354 PolarHBondContact N-OG1 2.89Å; V271-T354 PolarHBondContact O-OG1 3.38Å; Y337-T354 VanDerWaalsContact CD1-O 3.32Å; Y337-T354 WeakPolarHBondContact CD1-O 3.41Å; P338-T354 WeakPolarHBondContact CD-O 3.46Å; E343-T354 HydrophobicContact CB-CG2 4.16Å
355	V	96.6	Very high	96.5	Very high	3 Å²	3	32.2 Å²	32.2	2%	0.018	22%	0.217	C	C	.	.			trans	-138.2	171.2	-179.2	-68.1	0	0	0	0	111.3	I331 L334 Y337 L347 N349 E353	I331-V355 HydrophobicContact CD1-CG2 4.07Å; L334-V355 HydrophobicContact CD1-CB 3.84Å; L334-V355 HydrophobicContact CD1-CG1 4.1Å; L334-V355 HydrophobicContact CD1-CG2 3.55Å; Y337-V355 HydrophobicContact CD1-CG1 4.22Å; Y337-V355 HydrophobicContact CE1-CG1 4.32Å; L347-V355 HydrophobicContact CD1-CG2 4.49Å; L347-V355 WeakPolarHBondContact CD2-O 3.33Å; L347-V355 HydrophobicContact CG-CG2 4.17Å; L347-V355 VanDerWaalsContact CG-O 3.31Å; L347-V355 WeakPolarHBondContact CG-O 3.21Å; L347-V355 PolarHBondContact O-N 3.14Å; L347-V355 VanDerWaalsContact O-N 3.15Å; N349-V355 HydrophobicContact CB-CG1 3.78Å; N349-V355 HydrophobicContact CB-CG2 4.39Å; E353-V355 PolarHBondContact O-N 2.8Å
356	T	97.6	Very high	96.6	Very high	29 Å²	29	31 Å²	31	18%	0.178	21%	0.208	C	C	.	.			trans	-109.6	-176.1	164.7	73.2	0	0	0	0	110.4	G335 P336 P338	G335-T356 VanDerWaalsContact CA-O 3.27Å; G335-T356 WeakPolarHBondContact CA-O 3.38Å; G335-T356 PolarHBondContact N-O 3.46Å; P336-T356 WeakPolarHBondContact CD-OG1 3.38Å; P336-T356 PolarHBondContact O-N 3.5Å; P336-T356 PolarHBondContact O-OG1 2.92Å; P336-T356 VanDerWaalsContact O-OG1 3.12Å; P338-T356 HydrophobicContact CB-CG2 3.93Å
357	V	98.2	Very high	96.6	Very high	47 Å²	47	31.5 Å²	31.5	29%	0.285	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	158.1	171.4	-63.5	0	0	0	0	110.5	I331 G333 L347 A361 Y363	I331-V357 HydrophobicContact CD1-CG1 4.49Å; I331-V357 HydrophobicContact CG2-CG1 3.8Å; G333-V357 WeakPolarHBondContact O-CA 3.36Å; G333-V357 WeakPolarHBondContact O-CB 3.2Å; L347-V357 HydrophobicContact CD1-CG1 4.07Å; L347-V357 HydrophobicContact CD2-CG1 4.4Å; V357-A361 HydrophobicContact CB-CB 3.61Å; V357-A361 HydrophobicContact CG1-CB 4.19Å; V357-A361 HydrophobicContact CG2-CB 4.03Å; V357-Y363 HydrophobicContact CG1-CE1 3.9Å; V357-Y363 WeakPolarHBondContact CG1-OH 3.19Å
358	V	96.8	Very high	96.6	Very high	66 Å²	66	35.9 Å²	35.9	40%	0.4	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	159.5	171.1	-60	0	0	0	0	110.9	G333 G360 A361	G333-V358 PolarHBondContact O-N 3.27Å; V358-G360 PolarHBondContact O-N 3.32Å; V358-A361 WeakPolarHBondContact O-CB 3.29Å; V358-A361 PolarHBondContact O-N 2.96Å
359	P	97.2	Very high	96.7	Very high	134 Å²	134	35.5 Å²	35.5	87%	0.87	23%	0.23	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-55.1	137.9	171	-25.4	35.6	0	0	0	112	A361	P359-A361 VanDerWaalsContact C-N 3.35Å
360	G	96.4	Very high	96.8	Very high	86 Å²	86	34.8 Å²	34.8	89%	0.887	23%	0.226	S	C	*	.	E	Extended strand (participates in β ladder)	trans	85.4	2.2	-176.2	0	0	0	0	0	114.8	V358	V358-G360 PolarHBondContact O-N 3.32Å
361	A	98.3	Very high	97.1	Very high	30 Å²	30	35.1 Å²	35.1	25%	0.248	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	156.1	176.7	0	0	0	0	0	113.6	L332 V357 V358 P359	L332-A361 CarbonylContact O-C 3.49Å; L332-A361 WeakPolarHBondContact O-CA 3.46Å; L332-A361 VanDerWaalsContact O-CB 3.23Å; L332-A361 WeakPolarHBondContact O-CB 3.27Å; V357-A361 HydrophobicContact CB-CB 3.61Å; V357-A361 HydrophobicContact CG1-CB 4.19Å; V357-A361 HydrophobicContact CG2-CB 4.03Å; V358-A361 WeakPolarHBondContact O-CB 3.29Å; V358-A361 PolarHBondContact O-N 2.96Å; P359-A361 VanDerWaalsContact C-N 3.35Å
362	S	98.5	Very high	97.5	Very high	51 Å²	51	36.1 Å²	36.1	36%	0.357	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	157.4	175.6	69	0	0	0	0	112.4	L332	L332-S362 PolarHBondContact N-O 3.17Å; L332-S362 PolarHBondContact O-N 2.83Å
363	Y	98.6	Very high	97.7	Very high	59 Å²	59	35.7 Å²	35.7	23%	0.231	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	145.3	176.1	-57.1	-69.5	0	0	0	111.2	K214 T215 R217 G330 I331 L347 V357	K214-Y363 HydrophobicContact CB-CD1 4.23Å; K214-Y363 HydrophobicContact CB-CD2 4.47Å; K214-Y363 HydrophobicContact CB-CE1 3.93Å; K214-Y363 HydrophobicContact CB-CE2 4.2Å; K214-Y363 HydrophobicContact CB-CG 4.48Å; K214-Y363 HydrophobicContact CG-CD2 4.38Å; K214-Y363 HydrophobicContact CG-CE1 4.27Å; K214-Y363 HydrophobicContact CG-CE2 3.79Å; T215-Y363 HydrophobicContact CG2-CD1 4.43Å; R217-Y363 PolarHBondContact NH1-O 3.08Å; G330-Y363 VanDerWaalsContact O-CA 3.32Å; G330-Y363 WeakPolarHBondContact O-CA 3.29Å; I331-Y363 HydrophobicContact CG1-CD1 4.2Å; I331-Y363 HydrophobicContact CG1-CE1 4.16Å; L347-Y363 HydrophobicContact CD1-CE1 3.52Å; V357-Y363 HydrophobicContact CG1-CE1 3.9Å; V357-Y363 WeakPolarHBondContact CG1-OH 3.19Å
364	F	98.3	Very high	97.8	Very high	17 Å²	17	36.4 Å²	36.4	8%	0.075	23%	0.231	C	C	.	.			trans	-153.5	166.8	-175.9	40	-90.8	0	0	0	111.5	G330 L332 E368 S369 M372	G330-F364 VanDerWaalsContact CA-CE2 3.43Å; G330-F364 PolarHBondContact O-N 3.04Å; L332-F364 HydrophobicContact CB-CE1 3.62Å; L332-F364 HydrophobicContact CB-CZ 4.09Å; L332-F364 VanDerWaalsContact N-CE1 3.35Å; F364-E368 HydrophobicContact CB-CB 4.05Å; F364-E368 HydrophobicContact CB-CG 3.95Å; F364-E368 HydrophobicContact CD2-CB 4.48Å; F364-E368 HydrophobicContact CG-CG 4.32Å; F364-S369 VanDerWaalsContact CE2-CB 3.47Å; F364-M372 HydrophobicContact CD1-CE 3.98Å; F364-M372 HydrophobicContact CD2-CE 3.59Å; F364-M372 HydrophobicContact CE1-CE 3.67Å; F364-M372 HydrophobicContact CE2-CE 3.21Å; F364-M372 HydrophobicContact CG-CE 3.96Å; F364-M372 HydrophobicContact CZ-CE 3.27Å
365	S	98.3	Very high	97.8	Very high	17 Å²	17	38 Å²	38	12%	0.119	25%	0.247	C	C	.	.			trans	-75.4	164.6	176.1	57.4	0	0	0	0	111.5	N218 D367 E368 S369	N218-S365 CarbonylContact O-C 3.58Å; N218-S365 VanDerWaalsContact O-CA 3.32Å; N218-S365 WeakPolarHBondContact O-CA 3.33Å; N218-S365 WeakPolarHBondContact O-CB 3.33Å; S365-D367 VanDerWaalsContact C-N 3.29Å; S365-D367 WeakPolarHBondContact CB-OD1 3.47Å; S365-D367 PolarHBondContact O-N 3.1Å; S365-D367 PolarHBondContact OG-OD1 3.34Å; S365-E368 PolarHBondContact O-N 3.07Å; S365-S369 PolarHBondContact O-N 2.73Å
366	S	98.5	Very high	97.8	Very high	2 Å²	2	38.6 Å²	38.6	1%	0.014	25%	0.254	C	S	.	.	H	α-helix	trans	-61.3	-36.6	-179.4	-60.4	0	0	0	0	112.4	N218 F219 E368 S369 F370	N218-S366 WeakPolarHBondContact CA-OG 3.29Å; N218-S366 PolarHBondContact O-N 2.69Å; N218-S366 PolarHBondContact O-OG 2.67Å; F219-S366 WeakPolarHBondContact CD2-OG 3.4Å; F219-S366 WeakPolarHBondContact CE2-OG 3.4Å; F219-S366 PolarHBondContact N-OG 2.83Å; S366-E368 VanDerWaalsContact C-N 3.35Å; S366-E368 PolarHBondContact O-N 3.23Å; S366-S369 WeakPolarHBondContact O-CB 3.37Å; S366-S369 PolarHBondContact O-N 2.93Å; S366-F370 VanDerWaalsContact O-CD2 3.25Å; S366-F370 WeakPolarHBondContact O-CD2 3.35Å; S366-F370 PolarHBondContact O-N 2.8Å
367	D	98.1	Very high	97.9	Very high	16 Å²	16	43.4 Å²	43.4	9%	0.086	27%	0.274	C	S	.	.	H	α-helix	trans	-62.7	-41.1	177.9	54.8	-59.1	0	0	0	112.4	A131 R135 S222 S365 A371	A131-D367 HydrophobicContact CB-CB 4.38Å; R135-D367 HydrophobicContact CB-CB 4.07Å; R135-D367 HydrophobicContact CG-CB 4.21Å; S222-D367 PolarHBondContact OG-OD1 2.65Å; S365-D367 VanDerWaalsContact C-N 3.29Å; S365-D367 WeakPolarHBondContact CB-OD1 3.47Å; S365-D367 PolarHBondContact O-N 3.1Å; S365-D367 PolarHBondContact OG-OD1 3.34Å; D367-A371 WeakPolarHBondContact O-CB 3.32Å; D367-A371 PolarHBondContact O-N 3.5Å
368	E	98.4	Very high	97.9	Very high	98 Å²	98	41.4 Å²	41.4	46%	0.458	26%	0.262	S	S	.	.	H	α-helix	trans	-69.4	-41.2	174.5	-175.9	58.7	-149.5	0	0	111.7	F364 S365 S366 F370 A371 M372	F364-E368 HydrophobicContact CB-CB 4.05Å; F364-E368 HydrophobicContact CB-CG 3.95Å; F364-E368 HydrophobicContact CD2-CB 4.48Å; F364-E368 HydrophobicContact CG-CG 4.32Å; S365-E368 PolarHBondContact O-N 3.07Å; S366-E368 VanDerWaalsContact C-N 3.35Å; S366-E368 PolarHBondContact O-N 3.23Å; E368-F370 VanDerWaalsContact C-N 3.34Å; E368-F370 PolarHBondContact O-N 3.25Å; E368-A371 WeakPolarHBondContact O-CB 3.34Å; E368-A371 PolarHBondContact O-N 2.79Å; E368-M372 HydrophobicContact CG-CE 4.41Å; E368-M372 PolarHBondContact O-N 3.21Å
369	S	98.6	Very high	98	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-54	-50.2	177	-172.7	0	0	0	0	112.1	Q326 D328 F364 S365 S366 M372 I373	Q326-S369 PolarHBondContact NE2-OG 2.96Å; Q326-S369 VanDerWaalsContact NE2-OG 3.13Å; D328-S369 VanDerWaalsContact CA-OG 3.29Å; D328-S369 WeakPolarHBondContact CA-OG 3.31Å; D328-S369 WeakPolarHBondContact O-CB 3.28Å; D328-S369 PolarHBondContact O-OG 3.46Å; F364-S369 VanDerWaalsContact CE2-CB 3.47Å; S365-S369 PolarHBondContact O-N 2.73Å; S366-S369 WeakPolarHBondContact O-CB 3.37Å; S366-S369 PolarHBondContact O-N 2.93Å; S369-M372 WeakPolarHBondContact O-CB 3.43Å; S369-M372 PolarHBondContact O-N 2.62Å; S369-I373 PolarHBondContact O-N 3.18Å
370	F	98.5	Very high	98	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-81.4	-17.9	-178.9	-72.6	-78.5	0	0	0	113.2	Q127 G128 A131 D328 S366 E368 I373 R374 D412	Q127-F370 HydrophobicContact CB-CE1 4.4Å; Q127-F370 HydrophobicContact CB-CE2 4.1Å; Q127-F370 HydrophobicContact CB-CZ 3.71Å; Q127-F370 HydrophobicContact CG-CE2 3.69Å; Q127-F370 HydrophobicContact CG-CZ 3.71Å; G128-F370 VanDerWaalsContact CA-CB 3.49Å; G128-F370 VanDerWaalsContact CA-CD1 3.43Å; G128-F370 VanDerWaalsContact CA-CD2 3.43Å; A131-F370 HydrophobicContact CB-CD2 4.42Å; D328-F370 HydrophobicContact CB-CE1 4.16Å; D328-F370 HydrophobicContact CB-CE2 4.47Å; D328-F370 HydrophobicContact CB-CZ 3.83Å; S366-F370 VanDerWaalsContact O-CD2 3.25Å; S366-F370 WeakPolarHBondContact O-CD2 3.35Å; S366-F370 PolarHBondContact O-N 2.8Å; E368-F370 VanDerWaalsContact C-N 3.34Å; E368-F370 PolarHBondContact O-N 3.25Å; F370-I373 HydrophobicContact CD1-CD1 3.57Å; F370-I373 HydrophobicContact CE1-CD1 3.8Å; F370-I373 HydrophobicContact CG-CD1 4.3Å; F370-I373 PolarHBondContact O-N 3.05Å; F370-R374 VanDerWaalsContact CB-NH1 3.35Å; F370-R374 WeakPolarHBondContact O-CB 3.34Å; F370-R374 WeakPolarHBondContact O-CG 3.44Å; F370-R374 PolarHBondContact O-N 3.3Å; F370-D412 HydrophobicContact CD1-CB 3.57Å; F370-D412 HydrophobicContact CE1-CB 3.82Å
371	A	98.1	Very high	98.2	Very high	38 Å²	38	31.2 Å²	31.2	31%	0.314	18%	0.178	S	C	.	.	H	α-helix	trans	-64.6	-42	166	0	0	0	0	0	111.3	D367 E368 I373 G375	D367-A371 WeakPolarHBondContact O-CB 3.32Å; D367-A371 PolarHBondContact O-N 3.5Å; E368-A371 WeakPolarHBondContact O-CB 3.34Å; E368-A371 PolarHBondContact O-N 2.79Å; A371-I373 VanDerWaalsContact C-N 3.34Å; A371-I373 PolarHBondContact O-N 2.91Å; A371-G375 WeakPolarHBondContact O-CA 3.44Å; A371-G375 PolarHBondContact O-N 2.85Å
372	M	98.5	Very high	98.2	Very high	29 Å²	29	29.8 Å²	29.8	14%	0.143	17%	0.166	C	C	.	.	H	α-helix	trans	-59.2	-44.6	172.9	-75.4	-176.9	-80.9	0	0	112.2	F364 E368 S369 G376 H377	F364-M372 HydrophobicContact CD1-CE 3.98Å; F364-M372 HydrophobicContact CD2-CE 3.59Å; F364-M372 HydrophobicContact CE1-CE 3.67Å; F364-M372 HydrophobicContact CE2-CE 3.21Å; F364-M372 HydrophobicContact CG-CE 3.96Å; F364-M372 HydrophobicContact CZ-CE 3.27Å; E368-M372 HydrophobicContact CG-CE 4.41Å; E368-M372 PolarHBondContact O-N 3.21Å; S369-M372 WeakPolarHBondContact O-CB 3.43Å; S369-M372 PolarHBondContact O-N 2.62Å; M372-G376 PolarHBondContact O-N 2.75Å; M372-H377 HydrophobicContact CB-CB 4.46Å; M372-H377 WeakPolarHBondContact O-CB 3.47Å; M372-H377 PolarHBondContact O-CD2 3.48Å; M372-H377 PolarHBondContact O-N 2.65Å
373	I	98.6	Very high	98.2	Very high	3 Å²	3	27.7 Å²	27.7	2%	0.015	15%	0.15	C	C	.	.	H	α-helix	trans	-63.2	-59.2	179.1	-67	165.1	0	0	0	110.7	D328 S369 F370 A371 G375 G376 L378 D412 L413	D328-I373 HydrophobicContact CB-CD1 4.03Å; S369-I373 PolarHBondContact O-N 3.18Å; F370-I373 HydrophobicContact CD1-CD1 3.57Å; F370-I373 HydrophobicContact CE1-CD1 3.8Å; F370-I373 HydrophobicContact CG-CD1 4.3Å; F370-I373 PolarHBondContact O-N 3.05Å; A371-I373 VanDerWaalsContact C-N 3.34Å; A371-I373 PolarHBondContact O-N 2.91Å; I373-G375 VanDerWaalsContact C-N 3.28Å; I373-G375 PolarHBondContact O-N 3.16Å; I373-G376 PolarHBondContact O-N 2.8Å; I373-L378 HydrophobicContact CG1-CD1 3.81Å; I373-D412 HydrophobicContact CG2-CB 4.17Å; I373-D412 VanDerWaalsContact CG2-O 3.27Å; I373-D412 WeakPolarHBondContact CG2-O 3.02Å; I373-L413 HydrophobicContact CD1-CD2 3.75Å; I373-L413 HydrophobicContact CD1-CG 4.4Å; I373-L413 HydrophobicContact CG1-CD2 3.98Å; I373-L413 HydrophobicContact CG2-CD2 3.97Å; I373-L413 HydrophobicContact CG2-CG 4.4Å
374	R	96.3	Very high	98.1	Very high	40 Å²	40	26 Å²	26	15%	0.151	15%	0.151	C	C	.	.	H	α-helix	trans	-66.3	-29.9	-176.7	-67.7	-171.9	-58.4	-95	-3	113	G128 E132 T148 F370 G376 D412	G128-R374 PolarHBondContact O-NH1 3.06Å; E132-R374 IonicContact OE2-NH2 3.27Å; E132-R374 PolarHBondContact OE2-NH2 3.09Å; T148-R374 WeakPolarHBondContact OG1-CD 3.48Å; F370-R374 VanDerWaalsContact CB-NH1 3.35Å; F370-R374 WeakPolarHBondContact O-CB 3.34Å; F370-R374 WeakPolarHBondContact O-CG 3.44Å; F370-R374 PolarHBondContact O-N 3.3Å; R374-G376 PolarHBondContact O-N 2.69Å; R374-D412 IonicContact NH1-OD1 3.23Å; R374-D412 PolarHBondContact NH1-OD1 3.44Å
375	G	96.2	Very high	98.1	Very high	33 Å²	33	25.7 Å²	25.7	34%	0.34	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-13.2	174.8	0	0	0	0	0	113.7	A371 I373	A371-G375 WeakPolarHBondContact O-CA 3.44Å; A371-G375 PolarHBondContact O-N 2.85Å; I373-G375 VanDerWaalsContact C-N 3.28Å; I373-G375 PolarHBondContact O-N 3.16Å
376	G	96.7	Very high	98	Very high	16 Å²	16	27.5 Å²	27.5	17%	0.165	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	72	38.7	-176.2	0	0	0	0	0	112.5	M372 I373 R374 L378 S416	M372-G376 PolarHBondContact O-N 2.75Å; I373-G376 PolarHBondContact O-N 2.8Å; R374-G376 PolarHBondContact O-N 2.69Å; G376-L378 VanDerWaalsContact C-N 3.35Å; G376-S416 WeakPolarHBondContact CA-OG 3.36Å
377	H	98.3	Very high	98	Very high	129 Å²	129	28.8 Å²	28.8	60%	0.597	17%	0.165	S	C	*	.			trans	-87.1	-8.1	174.8	-62.4	-78.9	0	0	0	112.8	M372	M372-H377 HydrophobicContact CB-CB 4.46Å; M372-H377 WeakPolarHBondContact O-CB 3.47Å; M372-H377 PolarHBondContact O-CD2 3.48Å; M372-H377 PolarHBondContact O-N 2.65Å
378	L	98.6	Very high	98	Very high	5 Å²	5	28 Å²	28	3%	0.026	16%	0.161	C	C	.	.			trans	-90.3	133.3	171.1	-57.2	-175.4	0	0	0	109.9	N304 Q326 I373 G376 L413 T419	N304-L378 HydrophobicContact CB-CD1 3.65Å; Q326-L378 HydrophobicContact CB-CD2 3.73Å; Q326-L378 HydrophobicContact CG-CD2 4Å; I373-L378 HydrophobicContact CG1-CD1 3.81Å; G376-L378 VanDerWaalsContact C-N 3.35Å; L378-L413 HydrophobicContact CD1-CD2 4.15Å; L378-T419 HydrophobicContact CB-CG2 3.97Å; L378-T419 WeakPolarHBondContact O-CB 3.33Å; L378-T419 WeakPolarHBondContact O-CG2 3.38Å; L378-T419 PolarHBondContact O-OG1 3.4Å
379	D	98.7	Very high	98	Very high	71 Å²	71	23.3 Å²	23.3	38%	0.38	14%	0.139	S	C	.	.	S	Bend	trans	-72.6	-35.2	173.5	-62.6	-75.1	0	0	0	111.1	M301 Y302 K420	M301-D379 WeakPolarHBondContact CA-OD2 3.48Å; M301-D379 HydrophobicContact CB-CB 4.22Å; M301-D379 HydrophobicContact CE-CB 4.47Å; M301-D379 HydrophobicContact CG-CB 3.98Å; M301-D379 HydrophobicContact SD-CB 4.46Å; Y302-D379 PolarHBondContact N-OD2 2.98Å; Y302-D379 PolarHBondContact O-N 2.67Å; D379-K420 PolarHBondContact O-N 3.16Å
380	M	98.6	Very high	97.9	Very high	2 Å²	2	24.3 Å²	24.3	1%	0.01	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	143.6	-174	-170.7	-175.6	-59.2	0	0	112.6	E296 F297 M301 Y302 V303 N304 V382 K420 I422	E296-M380 HydrophobicContact CB-CE 3.87Å; E296-M380 HydrophobicContact CB-SD 4.27Å; E296-M380 WeakPolarHBondContact O-CE 3.34Å; F297-M380 HydrophobicContact CD1-CE 4.44Å; F297-M380 HydrophobicContact CD1-SD 3.89Å; F297-M380 HydrophobicContact CE1-SD 3.85Å; M301-M380 HydrophobicContact CE-CE 4.49Å; M301-M380 HydrophobicContact SD-CE 4.16Å; Y302-M380 PolarHBondContact O-N 3.49Å; V303-M380 WeakPolarHBondContact CA-O 3.45Å; V303-M380 HydrophobicContact CG1-CB 4.41Å; V303-M380 HydrophobicContact CG2-CB 4.34Å; N304-M380 PolarHBondContact N-O 3.5Å; M380-V382 HydrophobicContact CG-CG2 4.3Å; M380-V382 HydrophobicContact SD-CG2 4.02Å; M380-K420 CarbonylContact C-O 3.49Å; M380-K420 VanDerWaalsContact CA-O 3.27Å; M380-K420 WeakPolarHBondContact CA-O 3.38Å; M380-K420 HydrophobicContact CE-CD 4.27Å; M380-K420 HydrophobicContact CG-CB 4.42Å; M380-I422 HydrophobicContact CE-CD1 3.98Å; M380-I422 HydrophobicContact CG-CD1 4.25Å; M380-I422 HydrophobicContact CG-CG1 4.23Å; M380-I422 HydrophobicContact SD-CD1 3.46Å; M380-I422 WeakPolarHBondContact SD-CD1 3.29Å; M380-I422 HydrophobicContact SD-CG1 4.07Å
381	T	98.7	Very high	97.7	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	140.3	160.9	-171.9	0	0	0	0	110.2	N304 L383 L413 T419 K420 V421 I422	N304-T381 CarbonylContact O-C 3.52Å; N304-T381 WeakPolarHBondContact O-CA 3.18Å; T381-L383 HydrophobicContact CG2-CD1 4.4Å; T381-L383 HydrophobicContact CG2-CG 4.36Å; T381-L413 HydrophobicContact CG2-CB 4.33Å; T381-T419 HydrophobicContact CG2-CG2 4.27Å; T381-K420 PolarHBondContact N-O 3.37Å; T381-V421 HydrophobicContact CG2-CB 4.25Å; T381-V421 HydrophobicContact CG2-CG1 4.2Å; T381-V421 HydrophobicContact CG2-CG2 3.9Å; T381-I422 PolarHBondContact O-N 2.87Å
382	V	98.7	Very high	97.7	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	118.5	175.3	-168.1	0	0	0	0	108.7	F297 V303 N304 L305 G306 P310 M380 I422 C424	F297-V382 HydrophobicContact CE1-CG2 4.04Å; F297-V382 HydrophobicContact CZ-CG2 4.43Å; V303-V382 HydrophobicContact CG1-CG2 4.45Å; N304-V382 PolarHBondContact O-N 3.42Å; L305-V382 HydrophobicContact CD2-CB 3.8Å; L305-V382 HydrophobicContact CD2-CG2 3.72Å; G306-V382 PolarHBondContact N-O 2.76Å; P310-V382 HydrophobicContact CB-CB 4.03Å; P310-V382 HydrophobicContact CB-CG1 3.81Å; P310-V382 WeakPolarHBondContact CB-O 3.36Å; P310-V382 HydrophobicContact CG-CG1 4.26Å; M380-V382 HydrophobicContact CG-CG2 4.3Å; M380-V382 HydrophobicContact SD-CG2 4.02Å; V382-I422 CarbonylContact C-O 3.57Å; V382-I422 VanDerWaalsContact CA-O 3.29Å; V382-I422 WeakPolarHBondContact CA-O 3.14Å; V382-I422 HydrophobicContact CG1-CB 4.3Å; V382-I422 HydrophobicContact CG1-CG2 4.28Å; V382-I422 HydrophobicContact CG2-CB 4.33Å; V382-C424 HydrophobicContact CG1-CB 4.29Å; V382-C424 WeakPolarHBondContact CG1-SG 3.29Å
383	L	98.5	Very high	97.7	Very high	6 Å²	6	26.6 Å²	26.6	3%	0.031	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	154.3	-173	-62.6	179.5	0	0	0	112.2	T381 L394 L413 V414 I422 V423 C424	T381-L383 HydrophobicContact CG2-CD1 4.4Å; T381-L383 HydrophobicContact CG2-CG 4.36Å; L383-L394 HydrophobicContact CD1-CD2 3.87Å; L383-L413 HydrophobicContact CD1-CB 4.41Å; L383-L413 HydrophobicContact CD2-CD1 3.89Å; L383-V414 HydrophobicContact CD1-CG1 3.4Å; L383-V414 VanDerWaalsContact CD1-CG1 3.4Å; L383-I422 PolarHBondContact N-O 3.4Å; L383-V423 CarbonylContact O-C 3.47Å; L383-V423 WeakPolarHBondContact O-CA 3.41Å; L383-C424 PolarHBondContact O-N 3.04Å
384	G	97.2	Very high	97.7	Very high	24 Å²	24	26.5 Å²	26.5	25%	0.247	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	155.8	165	0	0	0	0	0	111.1	N396 C424	G384-N396 WeakPolarHBondContact O-CB 3.34Å; G384-N396 PolarHBondContact O-ND2 2.85Å; G384-C424 WeakPolarHBondContact CA-O 3.36Å
385	A	97.7	Very high	97.8	Very high	11 Å²	11	24.6 Å²	24.6	9%	0.091	14%	0.137	C	C	.	.			trans	-134.3	145.7	174.1	0	0	0	0	0	113.6	V388 L394 V423 M425 K435	A385-V388 HydrophobicContact CB-CG2 3.64Å; A385-L394 HydrophobicContact CB-CD1 3.54Å; A385-V423 HydrophobicContact CB-CG1 3.38Å; A385-M425 HydrophobicContact CB-CB 4.38Å; A385-M425 HydrophobicContact CB-CE 4.29Å; A385-M425 HydrophobicContact CB-SD 3.9Å; A385-K435 WeakPolarHBondContact O-CE 3.48Å; A385-K435 PolarHBondContact O-NZ 3.22Å; A385-K435 VanDerWaalsContact O-NZ 3.08Å
386	M	96.3	Very high	97.7	Very high	55 Å²	55	24.7 Å²	24.7	27%	0.271	13%	0.13	S	C	.	.	S	Bend	trans	-88.7	-43.8	166.2	-60.5	-172.9	65.8	0	0	110.3	A395 V399 K435 L442	M386-A395 WeakPolarHBondContact CA-O 3.47Å; M386-A395 WeakPolarHBondContact CB-O 3.39Å; M386-A395 PolarHBondContact N-O 2.86Å; M386-V399 HydrophobicContact CE-CG2 3.1Å; M386-V399 HydrophobicContact SD-CG2 4.11Å; M386-K435 WeakPolarHBondContact O-CB 3.47Å; M386-K435 WeakPolarHBondContact O-CE 3.5Å; M386-K435 WeakPolarHBondContact O-CG 3.01Å; M386-L442 HydrophobicContact CB-CD1 3.71Å; M386-L442 HydrophobicContact CE-CD1 3.97Å; M386-L442 HydrophobicContact SD-CD1 4.33Å
387	Q	98.3	Very high	97.6	Very high	28 Å²	28	24.1 Å²	24.1	13%	0.131	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	149	170.2	-70.4	179.7	-33	0	0	110.3	A395 K435 V437 T441 L442	Q387-A395 HydrophobicContact CB-CB 4.31Å; Q387-A395 PolarHBondContact N-O 3.5Å; Q387-A395 PolarHBondContact O-N 2.86Å; Q387-K435 CarbonylContact C-O 3.55Å; Q387-K435 VanDerWaalsContact CA-O 3.26Å; Q387-K435 WeakPolarHBondContact CA-O 3.38Å; Q387-V437 HydrophobicContact CB-CG2 4.1Å; Q387-V437 HydrophobicContact CG-CG2 4.36Å; Q387-T441 PolarHBondContact NE2-OG1 3.32Å; Q387-T441 PolarHBondContact OE1-OG1 2.83Å; Q387-L442 HydrophobicContact CG-CD1 4.11Å; Q387-L442 HydrophobicContact CG-CG 4.48Å
388	V	98.7	Very high	97.3	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	134.2	163.9	-176.6	0	0	0	0	108.5	A385 D393 L394 V423 M425 K435 I436 V437 V450 I453	A385-V388 HydrophobicContact CB-CG2 3.64Å; V388-D393 CarbonylContact C-O 3.59Å; V388-D393 VanDerWaalsContact CA-O 3.25Å; V388-D393 WeakPolarHBondContact CA-O 3.43Å; V388-L394 HydrophobicContact CG2-CD1 4.26Å; V388-V423 HydrophobicContact CG2-CB 4.32Å; V388-V423 HydrophobicContact CG2-CG1 3.84Å; V388-V423 HydrophobicContact CG2-CG2 4.13Å; V388-M425 HydrophobicContact CB-SD 4.41Å; V388-M425 HydrophobicContact CG2-CE 4.49Å; V388-M425 HydrophobicContact CG2-SD 3.67Å; V388-K435 PolarHBondContact N-O 3.41Å; V388-I436 CarbonylContact O-C 3.58Å; V388-I436 WeakPolarHBondContact O-CA 3.35Å; V388-V437 PolarHBondContact O-N 3.09Å; V388-V450 HydrophobicContact CG1-CB 4.49Å; V388-V450 HydrophobicContact CG1-CG2 4.22Å; V388-I453 HydrophobicContact CB-CD1 4.08Å; V388-I453 HydrophobicContact CG1-CD1 3.5Å; V388-I453 VanDerWaalsContact CG1-CD1 3.5Å; V388-I453 HydrophobicContact CG1-CG1 4.02Å
389	S	98.3	Very high	97	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	165.3	177.8	83.8	0	0	0	0	112.8	R391 G392 D393 V437	S389-R391 PolarHBondContact O-N 2.87Å; S389-R391 PolarHBondContact OG-N 2.85Å; S389-G392 PolarHBondContact O-N 2.83Å; S389-D393 PolarHBondContact N-O 2.91Å; S389-D393 WeakPolarHBondContact OG-CB 3.3Å; S389-D393 PolarHBondContact OG-N 3.09Å; S389-D393 PolarHBondContact OG-OD2 3.4Å; S389-V437 CarbonylContact C-O 3.27Å; S389-V437 WeakPolarHBondContact CA-O 3.46Å
390	C	95.9	Very high	96.4	Very high	20 Å²	20	19.1 Å²	19.1	14%	0.135	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-16.8	173.8	-42.2	0	0	0	0	114	V437 S438 G467 L468 C488	C390-V437 PolarHBondContact N-O 3.26Å; C390-V437 PolarHBondContact SG-O 2.88Å; C390-V437 VanDerWaalsContact SG-O 3.4Å; C390-S438 WeakPolarHBondContact SG-CA 3.24Å; C390-G467 CarbonylContact O-C 3.59Å; C390-L468 WeakPolarHBondContact O-CG 3.28Å; C390-C488 WeakPolarHBondContact CA-SG 3.28Å; C390-C488 HydrophobicContact CB-CB 3.88Å; C390-C488 WeakPolarHBondContact CB-SG 3.13Å; C390-C488 PolarHBondContact N-SG 3.21Å; C390-C488 VanDerWaalsContact N-SG 3.38Å; C390-C488 WeakPolarHBondContact SG-CA 3.36Å; C390-C488 WeakPolarHBondContact SG-CB 3.35Å; C390-C488 CovalentContact SG-SG 2.02Å; C390-C488 PolarHBondContact SG-SG 2.86Å
391	R	96	Very high	95.6	Very high	107 Å²	107	26.4 Å²	26.4	40%	0.404	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.7	2	179.6	-50.1	-176.6	-55.6	173.9	13.3	113	S389 D393 E447 K448 G466	S389-R391 PolarHBondContact O-N 2.87Å; S389-R391 PolarHBondContact OG-N 2.85Å; R391-D393 IonicContact CZ-OD2 3.38Å; R391-D393 IonicContact NE-OD2 3.87Å; R391-D393 IonicContact NH2-OD1 3.34Å; R391-D393 IonicContact NH2-OD2 3.18Å; R391-D393 PolarHBondContact NH2-OD2 2.74Å; R391-D393 VanDerWaalsContact NH2-OD2 3.11Å; R391-E447 IonicContact NH2-OE1 2.72Å; R391-E447 PolarHBondContact NH2-OE1 2.99Å; R391-K448 HydrophobicContact CB-CG 4.26Å; R391-G466 WeakPolarHBondContact CA-O 3.12Å; R391-G466 WeakPolarHBondContact CG-O 3.26Å
392	G	97.5	Very high	94.7	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	16%	0.164	C	C	.	.			trans	81.6	25.2	-176.2	0	0	0	0	0	114.4	S389 V449 V450	S389-G392 PolarHBondContact O-N 2.83Å; G392-V449 PolarHBondContact O-N 3.4Å; G392-V450 WeakPolarHBondContact O-CG2 3.32Å; G392-V450 PolarHBondContact O-N 3.35Å; G392-V450 VanDerWaalsContact O-N 3.07Å
393	D	98	Very high	93.6	Very high	9 Å²	9	37.6 Å²	37.6	5%	0.048	18%	0.182	C	C	.	.			trans	-75.3	129.9	170.3	-48.7	-37.1	0	0	0	108.8	V388 S389 R391 V444 G446 E447 K448	V388-D393 CarbonylContact C-O 3.59Å; V388-D393 VanDerWaalsContact CA-O 3.25Å; V388-D393 WeakPolarHBondContact CA-O 3.43Å; S389-D393 PolarHBondContact N-O 2.91Å; S389-D393 WeakPolarHBondContact OG-CB 3.3Å; S389-D393 PolarHBondContact OG-N 3.09Å; S389-D393 PolarHBondContact OG-OD2 3.4Å; R391-D393 IonicContact CZ-OD2 3.38Å; R391-D393 IonicContact NE-OD2 3.87Å; R391-D393 IonicContact NH2-OD1 3.34Å; R391-D393 IonicContact NH2-OD2 3.18Å; R391-D393 PolarHBondContact NH2-OD2 2.74Å; R391-D393 VanDerWaalsContact NH2-OD2 3.11Å; D393-V444 HydrophobicContact CB-CG1 4.25Å; D393-G446 WeakPolarHBondContact CA-O 3.43Å; D393-E447 WeakPolarHBondContact OD1-CA 3.32Å; D393-E447 WeakPolarHBondContact OD1-CG 3.49Å; D393-K448 PolarHBondContact OD1-N 3.06Å
394	L	98.5	Very high	92.5	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	135.6	-177.6	175.8	61.3	0	0	0	110.8	L383 A385 V388 N396 V414 V423 V444 T445 G446 V449 V450	L383-L394 HydrophobicContact CD1-CD2 3.87Å; A385-L394 HydrophobicContact CB-CD1 3.54Å; V388-L394 HydrophobicContact CG2-CD1 4.26Å; L394-N396 HydrophobicContact CD1-CB 4.27Å; L394-V414 HydrophobicContact CD2-CG1 3.86Å; L394-V423 HydrophobicContact CD1-CG2 3.9Å; L394-V444 CarbonylContact O-C 3.54Å; L394-V444 WeakPolarHBondContact O-CA 3.08Å; L394-T445 HydrophobicContact CD2-CG2 4.4Å; L394-T445 WeakPolarHBondContact O-CB 3.41Å; L394-T445 PolarHBondContact O-N 3.1Å; L394-T445 PolarHBondContact O-OG1 2.88Å; L394-G446 PolarHBondContact N-O 3.14Å; L394-V449 HydrophobicContact CB-CG2 3.91Å; L394-V450 HydrophobicContact CB-CG2 3.92Å
395	A	97.9	Very high	91.8	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.008	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	117.2	165.4	0	0	0	0	0	111	M386 Q387 C440 L442 P443	M386-A395 WeakPolarHBondContact CA-O 3.47Å; M386-A395 WeakPolarHBondContact CB-O 3.39Å; M386-A395 PolarHBondContact N-O 2.86Å; Q387-A395 HydrophobicContact CB-CB 4.31Å; Q387-A395 PolarHBondContact N-O 3.5Å; Q387-A395 PolarHBondContact O-N 2.86Å; A395-C440 HydrophobicContact CB-CB 4.36Å; A395-L442 HydrophobicContact CB-CB 3.92Å; A395-P443 WeakPolarHBondContact CB-O 3.34Å
396	N	95.5	Very high	91.2	Very high	34 Å²	34	40.7 Å²	40.7	18%	0.182	19%	0.189	C	C	.	.			trans	-145.5	8.1	-175	74.1	-5.4	0	0	0	117.5	G384 L394 T445	G384-N396 WeakPolarHBondContact O-CB 3.34Å; G384-N396 PolarHBondContact O-ND2 2.85Å; L394-N396 HydrophobicContact CD1-CB 4.27Å; N396-T445 PolarHBondContact N-OG1 2.84Å; N396-T445 WeakPolarHBondContact OD1-CG2 3.36Å; N396-T445 PolarHBondContact OD1-OG1 2.71Å
397	W	93.6	Very high	91.1	Very high	4 Å²	4	38.3 Å²	38.3	2%	0.015	18%	0.178	C	C	.	.	S	Bend	trans	-116.2	-20.1	-167.7	69.4	-87.1	0	0	0	116.2	V124 V153 W159 G406 I407 M411 P443 V444	V124-W397 HydrophobicContact CG1-CZ3 4.31Å; V153-W397 HydrophobicContact CG1-CH2 4.15Å; V153-W397 HydrophobicContact CG1-CZ2 3.76Å; W159-W397 HydrophobicContact CD2-CH2 4.38Å; W159-W397 AromaticContact CE3-CH2 3.62Å; W159-W397 HydrophobicContact CE3-CH2 3.62Å; W159-W397 HydrophobicContact CE3-CZ3 4.27Å; W159-W397 HydrophobicContact CH2-CH2 4.07Å; W159-W397 AromaticContact CH2-CZ3 3.91Å; W159-W397 HydrophobicContact CH2-CZ3 3.91Å; W159-W397 AromaticContact CZ3-CH2 3.43Å; W159-W397 HydrophobicContact CZ3-CH2 3.43Å; W159-W397 VanDerWaalsContact CZ3-CH2 3.43Å; W159-W397 HydrophobicContact CZ3-CZ2 4.49Å; W159-W397 AromaticContact CZ3-CZ3 3.76Å; W159-W397 HydrophobicContact CZ3-CZ3 3.76Å; W397-G406 WeakPolarHBondContact CB-O 3.32Å; W397-G406 PolarHBondContact O-N 2.79Å; W397-I407 HydrophobicContact CD2-CG1 3.7Å; W397-I407 HydrophobicContact CE3-CD1 4.49Å; W397-I407 HydrophobicContact CE3-CG1 3.51Å; W397-I407 HydrophobicContact CG-CG1 4.2Å; W397-I407 HydrophobicContact CH2-CG1 4.39Å; W397-I407 HydrophobicContact CZ3-CD1 4.44Å; W397-I407 HydrophobicContact CZ3-CG1 3.89Å; W397-M411 HydrophobicContact CZ2-CE 4.4Å; W397-P443 HydrophobicContact CZ2-CB 3.67Å; W397-P443 HydrophobicContact CZ2-CG 4.47Å; W397-P443 PolarHBondContact NE1-O 2.91Å; W397-V444 PolarHBondContact NE1-O 3.05Å
398	V	93.2	Very high	90.9	Very high	3 Å²	3	37.4 Å²	37.4	2%	0.018	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	145.7	-175.8	67.1	0	0	0	0	113.1	W159 E403 V404 P443	W159-V398 HydrophobicContact CH2-CG2 3.96Å; W159-V398 HydrophobicContact CZ3-CG2 4.09Å; V398-E403 WeakPolarHBondContact CG2-O 3.31Å; V398-V404 HydrophobicContact CG2-CG2 4.49Å; V398-P443 HydrophobicContact CG1-CB 3.85Å; V398-P443 HydrophobicContact CG1-CG 3.6Å
399	V	90.5	Very high	90.7	Very high	32 Å²	32	37.7 Å²	37.7	19%	0.194	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	108.3	156.5	-174.1	0	0	0	0	107.4	M386 R401 K402 E403 L442	M386-V399 HydrophobicContact CE-CG2 3.1Å; M386-V399 HydrophobicContact SD-CG2 4.11Å; V399-R401 PolarHBondContact O-N 2.87Å; V399-K402 HydrophobicContact CB-CB 4.15Å; V399-K402 HydrophobicContact CG1-CB 3.83Å; V399-K402 HydrophobicContact CG1-CD 4.18Å; V399-K402 PolarHBondContact O-N 3.32Å; V399-E403 HydrophobicContact CB-CB 4.36Å; V399-E403 PolarHBondContact N-O 3.41Å; V399-E403 PolarHBondContact O-N 2.92Å; V399-L442 HydrophobicContact CG1-CD2 4.35Å; V399-L442 HydrophobicContact CG2-CD2 4.48Å
400	P	86.1	Confident	90.6	Very high	65 Å²	65	38.2 Å²	38.2	42%	0.422	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.1	136.8	-177.7	-29.4	35.9	0	0	0	112.2	K402 P443	P400-K402 PolarHBondContact O-N 3.18Å; P400-P443 HydrophobicContact CG-CG 3.89Å
401	R	81.9	Confident	90.7	Very high	156 Å²	156	37.4 Å²	37.4	59%	0.589	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.3	3.9	-179.4	-56.1	-177.7	176.6	-86.9	2.9	116.5	G167 V399	G167-R401 PolarHBondContact O-NH1 2.82Å; G167-R401 PolarHBondContact O-NH2 3.07Å; V399-R401 PolarHBondContact O-N 2.87Å
402	K	80.2	Confident	90.8	Very high	152 Å²	152	32.3 Å²	32.3	66%	0.661	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	-123.3	-54.3	-179	-170.7	-176.4	176.2	178.9	0	112.6	V399 P400	V399-K402 HydrophobicContact CB-CB 4.15Å; V399-K402 HydrophobicContact CG1-CB 3.83Å; V399-K402 HydrophobicContact CG1-CD 4.18Å; V399-K402 PolarHBondContact O-N 3.32Å; P400-K402 PolarHBondContact O-N 3.18Å
403	E	76	Confident	90.9	Very high	82 Å²	82	32.6 Å²	32.6	38%	0.383	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	111.9	-175.8	-77.3	-179.6	-150	0	0	110.4	V398 V399 K405	V398-E403 WeakPolarHBondContact CG2-O 3.31Å; V399-E403 HydrophobicContact CB-CB 4.36Å; V399-E403 PolarHBondContact N-O 3.41Å; V399-E403 PolarHBondContact O-N 2.92Å; E403-K405 VanDerWaalsContact OE2-CE 3.24Å; E403-K405 WeakPolarHBondContact OE2-CE 3.46Å; E403-K405 IonicContact OE2-NZ 3.34Å; E403-K405 PolarHBondContact OE2-NZ 2.99Å
404	V	76.2	Confident	90.8	Very high	11 Å²	11	32.5 Å²	32.5	7%	0.067	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	86.1	172.2	-172.1	0	0	0	0	108.1	V105 Y115 F116 L122 W159 V398	V105-V404 HydrophobicContact CB-CG1 4.2Å; V105-V404 HydrophobicContact CG1-CG1 4.25Å; V105-V404 HydrophobicContact CG2-CG1 4.35Å; Y115-V404 HydrophobicContact CE1-CG2 4.29Å; F116-V404 HydrophobicContact CZ-CG2 3.86Å; L122-V404 HydrophobicContact CD2-CG1 3.99Å; W159-V404 HydrophobicContact CH2-CG1 4.22Å; W159-V404 HydrophobicContact CH2-CG2 4.44Å; W159-V404 HydrophobicContact CZ2-CG1 4.19Å; V398-V404 HydrophobicContact CG2-CG2 4.49Å
405	K	81.2	Confident	90.7	Very high	89 Å²	89	33.2 Å²	33.2	39%	0.387	17%	0.165	S	C	.	.			trans	-75.4	-39.7	172.8	-67.3	-180	-177.2	169.6	0	110.6	Y104 V105 A106 E403	Y104-K405 VanDerWaalsContact CD2-O 3.26Å; Y104-K405 WeakPolarHBondContact CD2-O 3.47Å; Y104-K405 HydrophobicContact CE2-CB 4.42Å; V105-K405 PolarHBondContact N-O 3.35Å; A106-K405 HydrophobicContact CB-CB 4.48Å; A106-K405 HydrophobicContact CB-CG 4.42Å; A106-K405 PolarHBondContact N-O 3.22Å; E403-K405 VanDerWaalsContact OE2-CE 3.24Å; E403-K405 WeakPolarHBondContact OE2-CE 3.46Å; E403-K405 IonicContact OE2-NZ 3.34Å; E403-K405 PolarHBondContact OE2-NZ 2.99Å
406	G	86.7	Confident	90.5	Very high	6 Å²	6	33.5 Å²	33.5	6%	0.062	17%	0.167	C	C	.	.	B	Isolated β-bridge	trans	102.8	163.7	-176.2	0	0	0	0	0	111.2	S103 W397	S103-G406 CarbonylContact O-C 3.48Å; S103-G406 VanDerWaalsContact O-C 3.24Å; S103-G406 WeakPolarHBondContact O-CA 3.31Å; W397-G406 WeakPolarHBondContact CB-O 3.32Å; W397-G406 PolarHBondContact O-N 2.79Å
407	I	93.6	Very high	90.3	Very high	5 Å²	5	37 Å²	37	3%	0.026	19%	0.191	C	C	.	.			trans	-69.3	-39.5	-174.2	-62.4	168.7	0	0	0	111.1	S103 V124 P126 I154 W397 A410 M411	S103-I407 PolarHBondContact O-N 2.92Å; V124-I407 HydrophobicContact CB-CD1 4.39Å; V124-I407 HydrophobicContact CG1-CB 4.35Å; V124-I407 HydrophobicContact CG1-CD1 3.61Å; V124-I407 HydrophobicContact CG1-CG1 3.69Å; P126-I407 HydrophobicContact CB-CG2 4.18Å; P126-I407 HydrophobicContact CG-CD1 4.27Å; P126-I407 HydrophobicContact CG-CG2 4.27Å; I154-I407 HydrophobicContact CD1-CD1 3.67Å; I154-I407 HydrophobicContact CG1-CD1 4.02Å; W397-I407 HydrophobicContact CD2-CG1 3.7Å; W397-I407 HydrophobicContact CE3-CD1 4.49Å; W397-I407 HydrophobicContact CE3-CG1 3.51Å; W397-I407 HydrophobicContact CG-CG1 4.2Å; W397-I407 HydrophobicContact CH2-CG1 4.39Å; W397-I407 HydrophobicContact CZ3-CD1 4.44Å; W397-I407 HydrophobicContact CZ3-CG1 3.89Å; I407-A410 WeakPolarHBondContact O-CB 3.26Å; I407-A410 PolarHBondContact O-N 2.93Å; I407-M411 HydrophobicContact CD1-CE 3.93Å; I407-M411 HydrophobicContact CD1-SD 3.83Å; I407-M411 HydrophobicContact CG1-CE 4.09Å; I407-M411 HydrophobicContact CG1-SD 4.26Å; I407-M411 HydrophobicContact CG2-CB 3.72Å; I407-M411 HydrophobicContact CG2-CE 4.24Å; I407-M411 HydrophobicContact CG2-CG 3.42Å; I407-M411 VanDerWaalsContact CG2-CG 3.42Å; I407-M411 HydrophobicContact CG2-SD 3.62Å
408	G	93.3	Very high	90.4	Very high	10 Å²	10	44.2 Å²	44.2	10%	0.103	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.1	-148.6	-169.5	0	0	0	0	0	111.8	S103 Q127 A410	S103-G408 PolarHBondContact O-N 3.4Å; S103-G408 VanDerWaalsContact O-N 3.16Å; S103-G408 WeakPolarHBondContact OG-CA 3.22Å; S103-G408 PolarHBondContact OG-N 2.88Å; S103-G408 VanDerWaalsContact OG-N 3.15Å; S103-G408 PolarHBondContact OG-O 2.59Å; Q127-G408 VanDerWaalsContact CB-C 3.44Å; Q127-G408 WeakPolarHBondContact CB-O 3.38Å; Q127-G408 PolarHBondContact N-O 2.89Å; G408-A410 PolarHBondContact O-N 3.26Å
409	G	95.6	Very high	90.6	Very high	5 Å²	5	44.4 Å²	44.4	5%	0.052	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-3	175.1	0	0	0	0	0	115.1	M411 D412 L413	G409-M411 PolarHBondContact O-N 3.23Å; G409-D412 WeakPolarHBondContact O-CB 3.5Å; G409-D412 PolarHBondContact O-N 3.46Å; G409-D412 VanDerWaalsContact O-N 3.11Å; G409-L413 WeakPolarHBondContact O-CG 3.47Å; G409-L413 PolarHBondContact O-N 3.05Å
410	A	96.2	Very high	91	Very high	12 Å²	12	45.9 Å²	45.9	10%	0.099	23%	0.227	C	C	.	.	H	α-helix	trans	-62.8	-41.8	-167.2	0	0	0	0	0	113.6	I407 G408 D412 L413 V414 T445	I407-A410 WeakPolarHBondContact O-CB 3.26Å; I407-A410 PolarHBondContact O-N 2.93Å; G408-A410 PolarHBondContact O-N 3.26Å; A410-D412 VanDerWaalsContact C-N 3.32Å; A410-D412 PolarHBondContact O-N 3.06Å; A410-L413 PolarHBondContact O-N 3.33Å; A410-V414 WeakPolarHBondContact O-CG2 3.34Å; A410-V414 PolarHBondContact O-N 3.42Å; A410-T445 HydrophobicContact CB-CG2 3.82Å
411	M	97.6	Very high	91.6	Very high	2 Å²	2	42.9 Å²	42.9	1%	0.01	21%	0.208	C	C	.	.	H	α-helix	trans	-66.4	-33.3	176.6	-77.3	-174.3	-178.4	0	0	112.5	P126 T148 T152 I154 W397 I407 G409 S415 T445	P126-M411 HydrophobicContact CB-CB 4.04Å; P126-M411 HydrophobicContact CG-CB 4.04Å; P126-M411 HydrophobicContact CG-CG 4.48Å; P126-M411 HydrophobicContact CG-SD 3.7Å; T148-M411 HydrophobicContact CG2-CB 3.96Å; T152-M411 HydrophobicContact CG2-CE 4.13Å; I154-M411 HydrophobicContact CG1-CE 4.06Å; I154-M411 HydrophobicContact CG1-SD 3.73Å; W397-M411 HydrophobicContact CZ2-CE 4.4Å; I407-M411 HydrophobicContact CD1-CE 3.93Å; I407-M411 HydrophobicContact CD1-SD 3.83Å; I407-M411 HydrophobicContact CG1-CE 4.09Å; I407-M411 HydrophobicContact CG1-SD 4.26Å; I407-M411 HydrophobicContact CG2-CB 3.72Å; I407-M411 HydrophobicContact CG2-CE 4.24Å; I407-M411 HydrophobicContact CG2-CG 3.42Å; I407-M411 VanDerWaalsContact CG2-CG 3.42Å; I407-M411 HydrophobicContact CG2-SD 3.62Å; G409-M411 PolarHBondContact O-N 3.23Å; M411-S415 WeakPolarHBondContact O-CB 3.25Å; M411-S415 PolarHBondContact O-N 3.41Å; M411-T445 HydrophobicContact CB-CG2 4.44Å; M411-T445 HydrophobicContact CG-CG2 3.67Å; M411-T445 WeakPolarHBondContact CG-O 3.09Å
412	D	98.1	Very high	92.4	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-70.2	-43.3	175.1	-65.8	-94.5	0	0	0	110.6	P126 Q127 G128 T129 T148 F370 I373 R374 G409 A410 V414 S415	P126-D412 WeakPolarHBondContact CB-OD2 3.49Å; Q127-D412 PolarHBondContact N-OD2 3.5Å; G128-D412 VanDerWaalsContact CA-CG 3.47Å; G128-D412 WeakPolarHBondContact CA-OD1 3.45Å; G128-D412 WeakPolarHBondContact CA-OD2 3.46Å; G128-D412 PolarHBondContact N-OD2 2.82Å; T129-D412 PolarHBondContact N-OD1 2.94Å; T148-D412 HydrophobicContact CG2-CB 4.34Å; T148-D412 PolarHBondContact OG1-OD1 3.21Å; F370-D412 HydrophobicContact CD1-CB 3.57Å; F370-D412 HydrophobicContact CE1-CB 3.82Å; I373-D412 HydrophobicContact CG2-CB 4.17Å; I373-D412 VanDerWaalsContact CG2-O 3.27Å; I373-D412 WeakPolarHBondContact CG2-O 3.02Å; R374-D412 IonicContact NH1-OD1 3.23Å; R374-D412 PolarHBondContact NH1-OD1 3.44Å; G409-D412 WeakPolarHBondContact O-CB 3.5Å; G409-D412 PolarHBondContact O-N 3.46Å; G409-D412 VanDerWaalsContact O-N 3.11Å; A410-D412 VanDerWaalsContact C-N 3.32Å; A410-D412 PolarHBondContact O-N 3.06Å; D412-V414 PolarHBondContact O-N 3.3Å; D412-S415 WeakPolarHBondContact O-CB 3.49Å; D412-S415 PolarHBondContact O-N 2.94Å; D412-S415 PolarHBondContact O-OG 3.45Å
413	L	98.2	Very high	93.3	Very high	6 Å²	6	28.2 Å²	28.2	3%	0.031	15%	0.149	C	C	.	.	H	α-helix	trans	-61.2	-29.9	-178.1	-73.2	166.9	0	0	0	113.4	N304 I373 L378 T381 L383 G409 A410	N304-L413 HydrophobicContact CB-CD2 3.85Å; N304-L413 VanDerWaalsContact CG-CD2 3.41Å; N304-L413 WeakPolarHBondContact OD1-CD1 3.44Å; I373-L413 HydrophobicContact CD1-CD2 3.75Å; I373-L413 HydrophobicContact CD1-CG 4.4Å; I373-L413 HydrophobicContact CG1-CD2 3.98Å; I373-L413 HydrophobicContact CG2-CD2 3.97Å; I373-L413 HydrophobicContact CG2-CG 4.4Å; L378-L413 HydrophobicContact CD1-CD2 4.15Å; T381-L413 HydrophobicContact CG2-CB 4.33Å; L383-L413 HydrophobicContact CD1-CB 4.41Å; L383-L413 HydrophobicContact CD2-CD1 3.89Å; G409-L413 WeakPolarHBondContact O-CG 3.47Å; G409-L413 PolarHBondContact O-N 3.05Å; A410-L413 PolarHBondContact O-N 3.33Å
414	V	97.6	Very high	94.4	Very high	8 Å²	8	24.4 Å²	24.4	5%	0.048	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.2	4.7	177.5	-55.6	0	0	0	0	113.9	L383 L394 A410 D412 V421 T445 V449	L383-V414 HydrophobicContact CD1-CG1 3.4Å; L383-V414 VanDerWaalsContact CD1-CG1 3.4Å; L394-V414 HydrophobicContact CD2-CG1 3.86Å; A410-V414 WeakPolarHBondContact O-CG2 3.34Å; A410-V414 PolarHBondContact O-N 3.42Å; D412-V414 PolarHBondContact O-N 3.3Å; V414-V421 HydrophobicContact CB-CG2 4.31Å; V414-V421 HydrophobicContact CG1-CG1 3.89Å; V414-V421 HydrophobicContact CG1-CG2 4.14Å; V414-T445 HydrophobicContact CG2-CG2 4.42Å; V414-V449 HydrophobicContact CB-CB 3.91Å; V414-V449 HydrophobicContact CB-CG1 4.17Å; V414-V449 HydrophobicContact CB-CG2 3.84Å; V414-V449 HydrophobicContact CG1-CG2 4.17Å; V414-V449 HydrophobicContact CG2-CB 4.41Å; V414-V449 HydrophobicContact CG2-CG1 4.25Å; V414-V449 HydrophobicContact CG2-CG2 4.12Å; V414-V449 WeakPolarHBondContact O-CG1 3.46Å
415	S	95.6	Very high	95.4	Very high	14 Å²	14	24 Å²	24	10%	0.098	13%	0.128	C	C	.	.	S	Bend	trans	-83.3	-21.5	-173.2	67.8	0	0	0	0	114.4	Q147 M411 D412	Q147-S415 PolarHBondContact OE1-O 2.92Å; M411-S415 WeakPolarHBondContact O-CB 3.25Å; M411-S415 PolarHBondContact O-N 3.41Å; D412-S415 WeakPolarHBondContact O-CB 3.49Å; D412-S415 PolarHBondContact O-N 2.94Å; D412-S415 PolarHBondContact O-OG 3.45Å
416	S	94.5	Very high	96.2	Very high	8 Å²	8	22.4 Å²	22.4	6%	0.056	12%	0.122	C	C	.	.			trans	-94.6	120.4	-177.3	-175.7	0	0	0	0	111.3	G376 K418 T419	G376-S416 WeakPolarHBondContact CA-OG 3.36Å; S416-K418 PolarHBondContact O-N 3Å; S416-K418 VanDerWaalsContact O-N 3.09Å; S416-K418 PolarHBondContact OG-N 3.05Å; S416-T419 PolarHBondContact O-N 3.14Å
417	P	91.2	Very high	96.7	Very high	106 Å²	106	22.1 Å²	22.1	69%	0.688	12%	0.119	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-7.6	177.9	29.4	-36.1	0	0	0	113.4
418	K	95.4	Very high	96.9	Very high	156 Å²	156	23.7 Å²	23.7	68%	0.678	13%	0.128	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85	-18.6	176.9	-61.9	179.6	-174.8	170.4	0	112.8	S416	S416-K418 PolarHBondContact O-N 3Å; S416-K418 VanDerWaalsContact O-N 3.09Å; S416-K418 PolarHBondContact OG-N 3.05Å
419	T	98	Very high	97	Very high	7 Å²	7	25.1 Å²	25.1	4%	0.043	14%	0.136	C	C	.	.	S	Bend	trans	-98.4	123.4	-175.3	-60.8	0	0	0	0	109.2	L378 T381 S416 V421	L378-T419 HydrophobicContact CB-CG2 3.97Å; L378-T419 WeakPolarHBondContact O-CB 3.33Å; L378-T419 WeakPolarHBondContact O-CG2 3.38Å; L378-T419 PolarHBondContact O-OG1 3.4Å; T381-T419 HydrophobicContact CG2-CG2 4.27Å; S416-T419 PolarHBondContact O-N 3.14Å; T419-V421 PolarHBondContact O-N 2.95Å
420	K	98.3	Very high	96.7	Very high	63 Å²	63	34.6 Å²	34.6	27%	0.274	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	129	176.2	-177.2	177.7	173.1	-171.8	0	110.1	E296 D379 M380 T381 I422 D451	E296-K420 IonicContact OE2-NZ 3.85Å; E296-K420 PolarHBondContact OE2-NZ 3Å; D379-K420 PolarHBondContact O-N 3.16Å; M380-K420 CarbonylContact C-O 3.49Å; M380-K420 VanDerWaalsContact CA-O 3.27Å; M380-K420 WeakPolarHBondContact CA-O 3.38Å; M380-K420 HydrophobicContact CE-CD 4.27Å; M380-K420 HydrophobicContact CG-CB 4.42Å; T381-K420 PolarHBondContact N-O 3.37Å; K420-I422 HydrophobicContact CD-CD1 4.46Å; K420-I422 HydrophobicContact CD-CG1 4.46Å; K420-I422 HydrophobicContact CG-CG1 4.3Å; K420-D451 VanDerWaalsContact CA-OD2 3.27Å; K420-D451 WeakPolarHBondContact CA-OD2 3.42Å; K420-D451 HydrophobicContact CG-CB 3.96Å
421	V	98.7	Very high	96.5	Very high	3 Å²	3	40.9 Å²	40.9	2%	0.018	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	115.7	178.6	-177.5	0	0	0	0	110.1	T381 V414 T419 V449 V450 D451 M452	T381-V421 HydrophobicContact CG2-CB 4.25Å; T381-V421 HydrophobicContact CG2-CG1 4.2Å; T381-V421 HydrophobicContact CG2-CG2 3.9Å; V414-V421 HydrophobicContact CB-CG2 4.31Å; V414-V421 HydrophobicContact CG1-CG1 3.89Å; V414-V421 HydrophobicContact CG1-CG2 4.14Å; T419-V421 PolarHBondContact O-N 2.95Å; V421-V449 WeakPolarHBondContact CB-O 3.21Å; V421-V449 VanDerWaalsContact CG2-O 3.28Å; V421-V449 WeakPolarHBondContact CG2-O 2.95Å; V421-V450 HydrophobicContact CG1-CG2 4.47Å; V421-D451 PolarHBondContact N-OD2 3.14Å; V421-D451 PolarHBondContact O-N 2.84Å; V421-M452 PolarHBondContact O-N 2.81Å
422	I	98.7	Very high	96.4	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	131	174.1	-55.8	-167.5	0	0	0	109.4	E296 M380 T381 V382 L383 K420 M452 I454	E296-I422 HydrophobicContact CB-CD1 3.63Å; E296-I422 HydrophobicContact CG-CD1 3.67Å; M380-I422 HydrophobicContact CE-CD1 3.98Å; M380-I422 HydrophobicContact CG-CD1 4.25Å; M380-I422 HydrophobicContact CG-CG1 4.23Å; M380-I422 HydrophobicContact SD-CD1 3.46Å; M380-I422 WeakPolarHBondContact SD-CD1 3.29Å; M380-I422 HydrophobicContact SD-CG1 4.07Å; T381-I422 PolarHBondContact O-N 2.87Å; V382-I422 CarbonylContact C-O 3.57Å; V382-I422 VanDerWaalsContact CA-O 3.29Å; V382-I422 WeakPolarHBondContact CA-O 3.14Å; V382-I422 HydrophobicContact CG1-CB 4.3Å; V382-I422 HydrophobicContact CG1-CG2 4.28Å; V382-I422 HydrophobicContact CG2-CB 4.33Å; L383-I422 PolarHBondContact N-O 3.4Å; K420-I422 HydrophobicContact CD-CD1 4.46Å; K420-I422 HydrophobicContact CD-CG1 4.46Å; K420-I422 HydrophobicContact CG-CG1 4.3Å; I422-M452 WeakPolarHBondContact CA-O 3.32Å; I422-M452 HydrophobicContact CD1-SD 4.27Å; I422-M452 HydrophobicContact CG1-CB 4.34Å; I422-M452 HydrophobicContact CG2-CB 4.46Å; I422-I454 HydrophobicContact CG2-CD1 3.69Å; I422-I454 HydrophobicContact CG2-CG1 4.08Å
423	V	98.8	Very high	96.3	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	124	172.1	172.7	0	0	0	0	110.2	L383 A385 V388 L394 M425 V450 M452 I454	L383-V423 CarbonylContact O-C 3.47Å; L383-V423 WeakPolarHBondContact O-CA 3.41Å; A385-V423 HydrophobicContact CB-CG1 3.38Å; V388-V423 HydrophobicContact CG2-CB 4.32Å; V388-V423 HydrophobicContact CG2-CG1 3.84Å; V388-V423 HydrophobicContact CG2-CG2 4.13Å; L394-V423 HydrophobicContact CD1-CG2 3.9Å; V423-M425 HydrophobicContact CG1-CB 4.09Å; V423-M425 HydrophobicContact CG1-CG 3.91Å; V423-M425 HydrophobicContact CG1-SD 3.6Å; V423-M425 VanDerWaalsContact CG1-SD 3.6Å; V423-V450 HydrophobicContact CB-CG1 4.26Å; V423-V450 HydrophobicContact CG2-CB 4.33Å; V423-V450 HydrophobicContact CG2-CG1 3.73Å; V423-V450 HydrophobicContact CG2-CG2 3.59Å; V423-M452 PolarHBondContact N-O 3Å; V423-I454 PolarHBondContact O-N 3.12Å
424	C	98.6	Very high	96.3	Very high	1 Å²	1	50.1 Å²	50.1	1%	0.007	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	116.4	168.3	-72.3	0	0	0	0	109.6	I289 A293 I309 P310 V382 L383 G384	I289-C424 HydrophobicContact CG2-CB 3.6Å; A293-C424 WeakPolarHBondContact CB-SG 3.32Å; I309-C424 HydrophobicContact CB-CB 4.23Å; I309-C424 HydrophobicContact CG2-CB 3.86Å; P310-C424 HydrophobicContact CG-CB 4.25Å; V382-C424 HydrophobicContact CG1-CB 4.29Å; V382-C424 WeakPolarHBondContact CG1-SG 3.29Å; L383-C424 PolarHBondContact O-N 3.04Å; G384-C424 WeakPolarHBondContact CA-O 3.36Å
425	M	98	Very high	96.4	Very high	2 Å²	2	51.2 Å²	51.2	1%	0.01	27%	0.269	C	S	.	.			trans	-151.2	148.5	-175.8	64.1	-172.1	-69.5	0	0	111.9	I289 A385 V388 V423 K435 I436 I453 I454 T455	I289-M425 WeakPolarHBondContact CD1-O 3.34Å; A385-M425 HydrophobicContact CB-CB 4.38Å; A385-M425 HydrophobicContact CB-CE 4.29Å; A385-M425 HydrophobicContact CB-SD 3.9Å; V388-M425 HydrophobicContact CB-SD 4.41Å; V388-M425 HydrophobicContact CG2-CE 4.49Å; V388-M425 HydrophobicContact CG2-SD 3.67Å; V423-M425 HydrophobicContact CG1-CB 4.09Å; V423-M425 HydrophobicContact CG1-CG 3.91Å; V423-M425 HydrophobicContact CG1-SD 3.6Å; V423-M425 VanDerWaalsContact CG1-SD 3.6Å; M425-K435 HydrophobicContact CE-CB 3.24Å; M425-K435 HydrophobicContact CE-CD 4.29Å; M425-K435 HydrophobicContact CE-CG 4.37Å; M425-I436 HydrophobicContact CE-CG1 4.47Å; M425-I436 HydrophobicContact SD-CG1 4.48Å; M425-I453 HydrophobicContact CG-CG2 4.17Å; M425-I453 HydrophobicContact SD-CG2 3.8Å; M425-I454 PolarHBondContact N-O 3.11Å; M425-T455 HydrophobicContact CG-CG2 3.9Å; M425-T455 VanDerWaalsContact O-CA 3.23Å; M425-T455 WeakPolarHBondContact O-CA 3.27Å; M425-T455 WeakPolarHBondContact O-CB 3.33Å; M425-T455 WeakPolarHBondContact O-CG2 3.4Å
426	E	97.3	Very high	96.5	Very high	56 Å²	56	50.5 Å²	50.5	26%	0.262	26%	0.264	S	S	.	.			trans	-64.3	138.9	161.3	-65.9	172.6	106.2	0	0	108.7	R286 I289 I309 K435 E456	R286-E426 IonicContact CZ-OE2 2.78Å; R286-E426 IonicContact NE-OE1 3.81Å; R286-E426 IonicContact NE-OE2 2.74Å; R286-E426 PolarHBondContact NE-OE2 3.22Å; R286-E426 IonicContact NH2-OE2 2.8Å; R286-E426 PolarHBondContact NH2-OE2 3.4Å; I289-E426 HydrophobicContact CD1-CG 4.4Å; I309-E426 HydrophobicContact CD1-CG 4.22Å; E426-K435 WeakPolarHBondContact O-CD 3.33Å; E426-K435 PolarHBondContact O-NZ 3.01Å; E426-E456 VanDerWaalsContact CA-OE2 3.24Å; E426-E456 WeakPolarHBondContact CA-OE2 3.34Å
427	H	98.1	Very high	96.7	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	27%	0.265	C	S	.	.	S	Bend	trans	-66.8	-40.8	-173.1	-156.3	104.9	0	0	0	111.9	K435 T455 E456 M457 C458 S485 T486	H427-K435 WeakPolarHBondContact O-CB 3.39Å; H427-K435 PolarHBondContact O-N 2.96Å; H427-K435 VanDerWaalsContact O-N 3.09Å; H427-T455 HydrophobicContact CB-CG2 4.12Å; H427-T455 PolarHBondContact ND1-OG1 3.07Å; H427-E456 WeakPolarHBondContact CB-OE1 3.34Å; H427-E456 PolarHBondContact N-OE1 3.22Å; H427-E456 PolarHBondContact N-OE2 3.18Å; H427-M457 HydrophobicContact CB-CB 4.35Å; H427-M457 HydrophobicContact CB-CE 4.25Å; H427-M457 HydrophobicContact CB-CG 3.97Å; H427-M457 HydrophobicContact CB-SD 3.83Å; H427-C458 VanDerWaalsContact CE1-SG 3.5Å; H427-S485 PolarHBondContact CD2-O 2.97Å; H427-S485 VanDerWaalsContact CD2-O 3.3Å; H427-S485 PolarHBondContact NE2-O 2.88Å; H427-T486 PolarHBondContact NE2-OG1 3.02Å
428	L	97.6	Very high	97	Very high	39 Å²	39	48.8 Å²	48.8	20%	0.204	25%	0.254	C	S	.	.	B	Isolated β-bridge	trans	-108.7	154.6	177.1	-60.1	-178.8	0	0	0	111.2	G432 E433 P434 M457 S485	L428-G432 WeakPolarHBondContact CD2-O 3.34Å; L428-E433 CarbonylContact C-O 3.53Å; L428-E433 WeakPolarHBondContact CA-O 3.13Å; L428-P434 HydrophobicContact CD2-CG 4.42Å; L428-M457 HydrophobicContact CD1-CE 4.09Å; L428-M457 HydrophobicContact CG-CE 4.21Å; L428-S485 WeakPolarHBondContact CD2-O 3.36Å
429	S	94.7	Very high	97	Very high	40 Å²	40	44.9 Å²	44.9	28%	0.28	25%	0.247	S	C	.	.			trans	-70.1	169.4	165.9	77.8	0	0	0	0	110.9	N431 G432 E433	S429-N431 PolarHBondContact O-N 3.41Å; S429-N431 VanDerWaalsContact O-N 3.08Å; S429-N431 PolarHBondContact OG-N 2.77Å; S429-G432 PolarHBondContact O-N 2.95Å; S429-E433 PolarHBondContact N-O 3.15Å; S429-E433 WeakPolarHBondContact OG-CB 3.49Å; S429-E433 PolarHBondContact OG-N 2.85Å; S429-E433 VanDerWaalsContact OG-N 3.16Å
430	K	89.5	Confident	97	Very high	203 Å²	203	45.7 Å²	45.7	88%	0.883	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-23.2	173.4	-66.9	-176.2	178.1	-179	0	113.5
431	N	92.7	Very high	96.9	Very high	144 Å²	144	48 Å²	48	77%	0.77	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.3	2.7	179.5	-63.4	-14.4	0	0	0	112.6	S429	S429-N431 PolarHBondContact O-N 3.41Å; S429-N431 VanDerWaalsContact O-N 3.08Å; S429-N431 PolarHBondContact OG-N 2.77Å
432	G	94.3	Very high	96.7	Very high	42 Å²	42	49.1 Å²	49.1	43%	0.433	28%	0.278	S	S	.	.	S	Bend	trans	89.1	-3.8	-180	0	0	0	0	0	115.2	L428 S429	L428-G432 WeakPolarHBondContact CD2-O 3.34Å; S429-G432 PolarHBondContact O-N 2.95Å
433	E	96.6	Very high	96.6	Very high	124 Å²	124	50.7 Å²	50.7	58%	0.579	29%	0.288	S	S	*	.			trans	-67.3	137.7	177.1	-56.5	-59.2	150.1	0	0	112.3	L428 S429	L428-E433 CarbonylContact C-O 3.53Å; L428-E433 WeakPolarHBondContact CA-O 3.13Å; S429-E433 PolarHBondContact N-O 3.15Å; S429-E433 WeakPolarHBondContact OG-CB 3.49Å; S429-E433 PolarHBondContact OG-N 2.85Å; S429-E433 VanDerWaalsContact OG-N 3.16Å
434	P	98.2	Very high	96.6	Very high	36 Å²	36	52.1 Å²	52.1	23%	0.234	30%	0.297	C	S	.	.	B	Isolated β-bridge	trans	-56.3	140	170.7	-26	35.7	0	0	0	112.6	L428 S485 D487	L428-P434 HydrophobicContact CD2-CG 4.42Å; P434-S485 WeakPolarHBondContact CB-O 3.39Å; P434-D487 HydrophobicContact CB-CB 4.14Å; P434-D487 HydrophobicContact CG-CB 4.46Å
435	K	98.5	Very high	96.5	Very high	31 Å²	31	52.2 Å²	52.2	14%	0.135	30%	0.297	C	S	.	.	S	Bend	trans	-109.2	-11.5	173.6	-65.2	171	60.3	-151.2	0	113.5	A385 M386 Q387 V388 M425 E426 H427	A385-K435 WeakPolarHBondContact O-CE 3.48Å; A385-K435 PolarHBondContact O-NZ 3.22Å; A385-K435 VanDerWaalsContact O-NZ 3.08Å; M386-K435 WeakPolarHBondContact O-CB 3.47Å; M386-K435 WeakPolarHBondContact O-CE 3.5Å; M386-K435 WeakPolarHBondContact O-CG 3.01Å; Q387-K435 CarbonylContact C-O 3.55Å; Q387-K435 VanDerWaalsContact CA-O 3.26Å; Q387-K435 WeakPolarHBondContact CA-O 3.38Å; V388-K435 PolarHBondContact N-O 3.41Å; M425-K435 HydrophobicContact CE-CB 3.24Å; M425-K435 HydrophobicContact CE-CD 4.29Å; M425-K435 HydrophobicContact CE-CG 4.37Å; E426-K435 WeakPolarHBondContact O-CD 3.33Å; E426-K435 PolarHBondContact O-NZ 3.01Å; H427-K435 WeakPolarHBondContact O-CB 3.39Å; H427-K435 PolarHBondContact O-N 2.96Å; H427-K435 VanDerWaalsContact O-N 3.09Å
436	I	98.8	Very high	96.5	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	111.7	164.9	-57.4	174.7	0	0	0	106	V388 M425 I453 T455 F460 L468 T486 D487 C488	V388-I436 CarbonylContact O-C 3.58Å; V388-I436 WeakPolarHBondContact O-CA 3.35Å; M425-I436 HydrophobicContact CE-CG1 4.47Å; M425-I436 HydrophobicContact SD-CG1 4.48Å; I436-I453 HydrophobicContact CD1-CG2 3.98Å; I436-I453 HydrophobicContact CG1-CG2 4.38Å; I436-T455 HydrophobicContact CD1-CG2 4.16Å; I436-F460 HydrophobicContact CD1-CD2 3.77Å; I436-F460 HydrophobicContact CD1-CE2 3.77Å; I436-L468 HydrophobicContact CG2-CD1 3.64Å; I436-T486 HydrophobicContact CB-CG2 3.88Å; I436-T486 HydrophobicContact CG2-CG2 3.66Å; I436-D487 PolarHBondContact O-N 2.69Å; I436-C488 HydrophobicContact CG2-CB 4.35Å
437	V	98.4	Very high	96.4	Very high	11 Å²	11	53.2 Å²	53.2	7%	0.067	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	155.7	-161.7	-66.4	0	0	0	0	113	Q387 V388 S389 C390 S439 D487 C488	Q387-V437 HydrophobicContact CB-CG2 4.1Å; Q387-V437 HydrophobicContact CG-CG2 4.36Å; V388-V437 PolarHBondContact O-N 3.09Å; S389-V437 CarbonylContact C-O 3.27Å; S389-V437 WeakPolarHBondContact CA-O 3.46Å; C390-V437 PolarHBondContact N-O 3.26Å; C390-V437 PolarHBondContact SG-O 2.88Å; C390-V437 VanDerWaalsContact SG-O 3.4Å; V437-S439 VanDerWaalsContact C-N 3.25Å; V437-S439 VanDerWaalsContact CG2-O 3.25Å; V437-S439 WeakPolarHBondContact CG2-O 3.18Å; V437-S439 PolarHBondContact O-N 2.98Å; V437-D487 CarbonylContact C-O 3.55Å; V437-D487 VanDerWaalsContact C-O 3.27Å; V437-C488 PolarHBondContact O-SG 2.64Å
438	S	96.7	Very high	96.3	Very high	67 Å²	67	59.2 Å²	59.2	47%	0.469	33%	0.329	S	S	.	.	S	Bend	trans	-57.7	-42.4	178.6	51.1	0	0	0	0	111.9	C390 D487	C390-S438 WeakPolarHBondContact SG-CA 3.24Å; S438-D487 WeakPolarHBondContact CA-O 3.35Å; S438-D487 PolarHBondContact N-O 2.92Å; S438-D487 PolarHBondContact N-OD2 2.85Å; S438-D487 PolarHBondContact OG-OD2 2.97Å
439	S	96.7	Very high	96.3	Very high	73 Å²	73	58.7 Å²	58.7	51%	0.51	33%	0.328	S	S	.	.	S	Bend	trans	-147.8	145.6	171.8	57.9	0	0	0	0	110.2	V437 T441	V437-S439 VanDerWaalsContact C-N 3.25Å; V437-S439 VanDerWaalsContact CG2-O 3.25Å; V437-S439 WeakPolarHBondContact CG2-O 3.18Å; V437-S439 PolarHBondContact O-N 2.98Å; S439-T441 PolarHBondContact O-N 2.86Å
440	C	97.7	Very high	96.4	Very high	25 Å²	25	57 Å²	57	17%	0.169	32%	0.315	C	S	.	.			trans	-67.5	120.7	176	-71.5	0	0	0	0	109.9	A395 V444	A395-C440 HydrophobicContact CB-CB 4.36Å; C440-V444 HydrophobicContact CB-CG1 3.8Å
441	T	95.6	Very high	96.9	Very high	111 Å²	111	50.8 Å²	50.8	68%	0.681	29%	0.292	S	S	*	.	S	Bend	trans	-82.7	-20.3	170.1	56.1	0	0	0	0	112.2	Q387 S439	Q387-T441 PolarHBondContact NE2-OG1 3.32Å; Q387-T441 PolarHBondContact OE1-OG1 2.83Å; S439-T441 PolarHBondContact O-N 2.86Å
442	L	96.1	Very high	97.1	Very high	27 Å²	27	44.4 Å²	44.4	14%	0.141	26%	0.257	C	S	.	.	S	Bend	trans	-87.7	151.5	174	-62	178.3	0	0	0	110.5	M386 Q387 A395 V399 V444	M386-L442 HydrophobicContact CB-CD1 3.71Å; M386-L442 HydrophobicContact CE-CD1 3.97Å; M386-L442 HydrophobicContact SD-CD1 4.33Å; Q387-L442 HydrophobicContact CG-CD1 4.11Å; Q387-L442 HydrophobicContact CG-CG 4.48Å; A395-L442 HydrophobicContact CB-CB 3.92Å; V399-L442 HydrophobicContact CG1-CD2 4.35Å; V399-L442 HydrophobicContact CG2-CD2 4.48Å; L442-V444 PolarHBondContact O-N 2.8Å
443	P	96	Very high	97.4	Very high	33 Å²	33	42.4 Å²	42.4	21%	0.214	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-54.1	124.4	174.9	-27.7	36.8	0	0	0	112	A395 W397 V398 P400	A395-P443 WeakPolarHBondContact CB-O 3.34Å; W397-P443 HydrophobicContact CZ2-CB 3.67Å; W397-P443 HydrophobicContact CZ2-CG 4.47Å; W397-P443 PolarHBondContact NE1-O 2.91Å; V398-P443 HydrophobicContact CG1-CB 3.85Å; V398-P443 HydrophobicContact CG1-CG 3.6Å; P400-P443 HydrophobicContact CG-CG 3.89Å
444	V	97.8	Very high	97.5	Very high	30 Å²	30	36.5 Å²	36.5	18%	0.182	21%	0.209	C	C	.	.	P	Polyproline II helix	trans	-69	149.3	-179.4	-65.2	0	0	0	0	111.4	S151 T152 D393 L394 W397 C440 L442	S151-V444 WeakPolarHBondContact O-CG2 3.35Å; T152-V444 HydrophobicContact CG2-CG2 4.2Å; D393-V444 HydrophobicContact CB-CG1 4.25Å; L394-V444 CarbonylContact O-C 3.54Å; L394-V444 WeakPolarHBondContact O-CA 3.08Å; W397-V444 PolarHBondContact NE1-O 3.05Å; C440-V444 HydrophobicContact CB-CG1 3.8Å; L442-V444 PolarHBondContact O-N 2.8Å
445	T	97.6	Very high	97.4	Very high	2 Å²	2	34.8 Å²	34.8	1%	0.012	20%	0.198	C	C	.	.	S	Bend	trans	-93.6	-35	172.8	-43.1	0	0	0	0	109.6	T152 L394 N396 A410 M411 V414	T152-T445 WeakPolarHBondContact CG2-O 3.48Å; L394-T445 HydrophobicContact CD2-CG2 4.4Å; L394-T445 WeakPolarHBondContact O-CB 3.41Å; L394-T445 PolarHBondContact O-N 3.1Å; L394-T445 PolarHBondContact O-OG1 2.88Å; N396-T445 PolarHBondContact N-OG1 2.84Å; N396-T445 WeakPolarHBondContact OD1-CG2 3.36Å; N396-T445 PolarHBondContact OD1-OG1 2.71Å; A410-T445 HydrophobicContact CB-CG2 3.82Å; M411-T445 HydrophobicContact CB-CG2 4.44Å; M411-T445 HydrophobicContact CG-CG2 3.67Å; M411-T445 WeakPolarHBondContact CG-O 3.09Å; V414-T445 HydrophobicContact CG2-CG2 4.42Å
446	G	97.2	Very high	97.3	Very high	5 Å²	5	34.8 Å²	34.8	5%	0.052	20%	0.199	C	C	.	.	B	Isolated β-bridge	trans	-164.4	146.5	172.6	0	0	0	0	0	109.8	D393 L394	D393-G446 WeakPolarHBondContact CA-O 3.43Å; L394-G446 PolarHBondContact N-O 3.14Å
447	E	96	Very high	97.2	Very high	74 Å²	74	35.7 Å²	35.7	35%	0.346	20%	0.203	S	C	.	.	S	Bend	trans	-91.7	130.6	176.8	-171.6	-175.6	-173.2	0	0	109.9	S151 R391 D393 V449	S151-E447 WeakPolarHBondContact CB-OE2 3.47Å; S151-E447 PolarHBondContact OG-OE2 2.88Å; R391-E447 IonicContact NH2-OE1 2.72Å; R391-E447 PolarHBondContact NH2-OE1 2.99Å; D393-E447 WeakPolarHBondContact OD1-CA 3.32Å; D393-E447 WeakPolarHBondContact OD1-CG 3.49Å; E447-V449 WeakPolarHBondContact O-CG1 3.4Å; E447-V449 PolarHBondContact O-N 3.22Å
448	K	95.9	Very high	97.2	Very high	126 Å²	126	35.1 Å²	35.1	55%	0.548	20%	0.2	S	C	.	.	S	Bend	trans	49.8	39.4	178.6	-60.8	169	-172.4	178.6	0	113.9	R391 D393	R391-K448 HydrophobicContact CB-CG 4.26Å; D393-K448 PolarHBondContact OD1-N 3.06Å
449	V	96.6	Very high	97.3	Very high	29 Å²	29	32 Å²	32	18%	0.176	18%	0.178	C	C	.	.			trans	-96.9	-21	-176.7	-64	0	0	0	0	113.1	G392 L394 V414 V421 E447	G392-V449 PolarHBondContact O-N 3.4Å; L394-V449 HydrophobicContact CB-CG2 3.91Å; V414-V449 HydrophobicContact CB-CB 3.91Å; V414-V449 HydrophobicContact CB-CG1 4.17Å; V414-V449 HydrophobicContact CB-CG2 3.84Å; V414-V449 HydrophobicContact CG1-CG2 4.17Å; V414-V449 HydrophobicContact CG2-CB 4.41Å; V414-V449 HydrophobicContact CG2-CG1 4.25Å; V414-V449 HydrophobicContact CG2-CG2 4.12Å; V414-V449 WeakPolarHBondContact O-CG1 3.46Å; V421-V449 WeakPolarHBondContact CB-O 3.21Å; V421-V449 VanDerWaalsContact CG2-O 3.28Å; V421-V449 WeakPolarHBondContact CG2-O 2.95Å; E447-V449 WeakPolarHBondContact O-CG1 3.4Å; E447-V449 PolarHBondContact O-N 3.22Å
450	V	98.5	Very high	97.4	Very high	4 Å²	4	28.5 Å²	28.5	2%	0.024	15%	0.153	C	C	.	.			trans	-81.9	130	-175.1	179.6	0	0	0	0	110.4	V388 G392 L394 V421 V423 M452 I453 V462	V388-V450 HydrophobicContact CG1-CB 4.49Å; V388-V450 HydrophobicContact CG1-CG2 4.22Å; G392-V450 WeakPolarHBondContact O-CG2 3.32Å; G392-V450 PolarHBondContact O-N 3.35Å; G392-V450 VanDerWaalsContact O-N 3.07Å; L394-V450 HydrophobicContact CB-CG2 3.92Å; V421-V450 HydrophobicContact CG1-CG2 4.47Å; V423-V450 HydrophobicContact CB-CG1 4.26Å; V423-V450 HydrophobicContact CG2-CB 4.33Å; V423-V450 HydrophobicContact CG2-CG1 3.73Å; V423-V450 HydrophobicContact CG2-CG2 3.59Å; V450-M452 WeakPolarHBondContact CG1-O 3.21Å; V450-I453 HydrophobicContact CG1-CG1 3.86Å; V450-V462 HydrophobicContact CB-CG2 4.33Å; V450-V462 HydrophobicContact CG1-CG2 4.08Å; V450-V462 WeakPolarHBondContact O-CB 3.48Å; V450-V462 WeakPolarHBondContact O-CG1 3.47Å; V450-V462 WeakPolarHBondContact O-CG2 3.33Å
451	D	98.4	Very high	97.4	Very high	73 Å²	73	29.9 Å²	29.9	39%	0.39	16%	0.159	S	C	.	.	S	Bend	trans	-93.7	-32.4	173.4	-64.2	-76.4	0	0	0	112.6	K420 V421 V462	K420-D451 VanDerWaalsContact CA-OD2 3.27Å; K420-D451 WeakPolarHBondContact CA-OD2 3.42Å; K420-D451 HydrophobicContact CG-CB 3.96Å; V421-D451 PolarHBondContact N-OD2 3.14Å; V421-D451 PolarHBondContact O-N 2.84Å; D451-V462 PolarHBondContact O-N 2.94Å
452	M	98.6	Very high	97.5	Very high	9 Å²	9	25.9 Å²	25.9	4%	0.044	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	137.5	-174	-176.2	-178	-82.8	0	0	111.6	E296 V421 I422 V423 V450 I454 V459 F460 N461	E296-M452 HydrophobicContact CG-SD 3.93Å; E296-M452 WeakPolarHBondContact OE2-CE 3.09Å; V421-M452 PolarHBondContact O-N 2.81Å; I422-M452 WeakPolarHBondContact CA-O 3.32Å; I422-M452 HydrophobicContact CD1-SD 4.27Å; I422-M452 HydrophobicContact CG1-CB 4.34Å; I422-M452 HydrophobicContact CG2-CB 4.46Å; V423-M452 PolarHBondContact N-O 3Å; V450-M452 WeakPolarHBondContact CG1-O 3.21Å; M452-I454 HydrophobicContact CG-CD1 4.44Å; M452-I454 HydrophobicContact CG-CG1 3.98Å; M452-I454 HydrophobicContact SD-CD1 3.84Å; M452-I454 HydrophobicContact SD-CG1 3.97Å; M452-V459 HydrophobicContact CE-CG1 4.45Å; M452-V459 HydrophobicContact CG-CG1 3.98Å; M452-V459 HydrophobicContact SD-CG1 4.13Å; M452-F460 CarbonylContact C-O 3.59Å; M452-F460 WeakPolarHBondContact CA-O 3.14Å; M452-N461 WeakPolarHBondContact CE-OD1 3.03Å
453	I	98.8	Very high	97.5	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	120	175.8	-49.2	166.7	0	0	0	108.1	V388 M425 I436 V450 T455 V459 F460 V462 L468	V388-I453 HydrophobicContact CB-CD1 4.08Å; V388-I453 HydrophobicContact CG1-CD1 3.5Å; V388-I453 VanDerWaalsContact CG1-CD1 3.5Å; V388-I453 HydrophobicContact CG1-CG1 4.02Å; M425-I453 HydrophobicContact CG-CG2 4.17Å; M425-I453 HydrophobicContact SD-CG2 3.8Å; I436-I453 HydrophobicContact CD1-CG2 3.98Å; I436-I453 HydrophobicContact CG1-CG2 4.38Å; V450-I453 HydrophobicContact CG1-CG1 3.86Å; I453-T455 HydrophobicContact CG2-CG2 4.1Å; I453-V459 WeakPolarHBondContact O-CA 3.1Å; I453-F460 HydrophobicContact CB-CB 4.27Å; I453-F460 PolarHBondContact N-O 3.44Å; I453-F460 PolarHBondContact O-N 3.16Å; I453-V462 HydrophobicContact CD1-CG2 4.49Å; I453-V462 HydrophobicContact CG1-CG2 4.47Å; I453-L468 HydrophobicContact CD1-CD1 4.44Å; I453-L468 HydrophobicContact CD1-CD2 3.95Å
454	I	98.6	Very high	97.1	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	120.3	178.3	-54.9	178.2	0	0	0	108.1	I289 R292 A293 I422 V423 M425 M452 V459	I289-I454 HydrophobicContact CG2-CB 4.43Å; I289-I454 HydrophobicContact CG2-CG2 3.99Å; R292-I454 HydrophobicContact CB-CG2 4.04Å; R292-I454 HydrophobicContact CG-CD1 4.48Å; R292-I454 HydrophobicContact CG-CG2 3.87Å; A293-I454 HydrophobicContact CB-CD1 3.74Å; I422-I454 HydrophobicContact CG2-CD1 3.69Å; I422-I454 HydrophobicContact CG2-CG1 4.08Å; V423-I454 PolarHBondContact O-N 3.12Å; M425-I454 PolarHBondContact N-O 3.11Å; M452-I454 HydrophobicContact CG-CD1 4.44Å; M452-I454 HydrophobicContact CG-CG1 3.98Å; M452-I454 HydrophobicContact SD-CD1 3.84Å; M452-I454 HydrophobicContact SD-CG1 3.97Å; I454-V459 HydrophobicContact CG1-CG1 4.26Å; I454-V459 HydrophobicContact CG1-CG2 4.4Å; I454-V459 HydrophobicContact CG2-CG2 4.26Å
455	T	98.1	Very high	96.6	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.198	C	C	.	.			trans	-121.7	170.6	175.8	71.1	0	0	0	0	111	M425 H427 I436 I453 M457 C458	M425-T455 HydrophobicContact CG-CG2 3.9Å; M425-T455 VanDerWaalsContact O-CA 3.23Å; M425-T455 WeakPolarHBondContact O-CA 3.27Å; M425-T455 WeakPolarHBondContact O-CB 3.33Å; M425-T455 WeakPolarHBondContact O-CG2 3.4Å; H427-T455 HydrophobicContact CB-CG2 4.12Å; H427-T455 PolarHBondContact ND1-OG1 3.07Å; I436-T455 HydrophobicContact CD1-CG2 4.16Å; I453-T455 HydrophobicContact CG2-CG2 4.1Å; T455-M457 PolarHBondContact O-N 2.91Å; T455-M457 PolarHBondContact OG1-N 3.47Å; T455-C458 PolarHBondContact N-O 2.88Å; T455-C458 PolarHBondContact OG1-N 3.19Å; T455-C458 PolarHBondContact OG1-O 3.02Å
456	E	95.3	Very high	96	Very high	32 Å²	32	40.9 Å²	40.9	15%	0.15	21%	0.207	C	C	.	.	S	Bend	trans	-65	-23.2	174	77	-71	-179.6	0	0	111.8	A285 I289 E426 H427	A285-E456 HydrophobicContact CB-CB 3.85Å; A285-E456 HydrophobicContact CB-CG 4.18Å; I289-E456 HydrophobicContact CD1-CB 4.06Å; I289-E456 HydrophobicContact CG1-CB 4.11Å; E426-E456 VanDerWaalsContact CA-OE2 3.24Å; E426-E456 WeakPolarHBondContact CA-OE2 3.34Å; H427-E456 WeakPolarHBondContact CB-OE1 3.34Å; H427-E456 PolarHBondContact N-OE1 3.22Å; H427-E456 PolarHBondContact N-OE2 3.18Å
457	M	96.7	Very high	95.9	Very high	18 Å²	18	41.6 Å²	41.6	9%	0.089	21%	0.214	C	C	.	.	S	Bend	trans	-90.2	-39.2	-177.7	-64.4	-169.9	-175.9	0	0	113.4	H427 L428 T455 G474 I477	H427-M457 HydrophobicContact CB-CB 4.35Å; H427-M457 HydrophobicContact CB-CE 4.25Å; H427-M457 HydrophobicContact CB-CG 3.97Å; H427-M457 HydrophobicContact CB-SD 3.83Å; L428-M457 HydrophobicContact CD1-CE 4.09Å; L428-M457 HydrophobicContact CG-CE 4.21Å; T455-M457 PolarHBondContact O-N 2.91Å; T455-M457 PolarHBondContact OG1-N 3.47Å; M457-G474 PolarHBondContact O-N 3.22Å; M457-I477 HydrophobicContact CB-CG1 4.45Å; M457-I477 HydrophobicContact CB-CG2 4.15Å; M457-I477 HydrophobicContact CG-CD1 4.18Å
458	C	97.9	Very high	96	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.9	171.2	-169.9	64.4	0	0	0	0	113.7	H427 T455 F460 L470 E472 L473 V482	H427-C458 VanDerWaalsContact CE1-SG 3.5Å; T455-C458 PolarHBondContact N-O 2.88Å; T455-C458 PolarHBondContact OG1-N 3.19Å; T455-C458 PolarHBondContact OG1-O 3.02Å; C458-F460 WeakPolarHBondContact SG-CE2 3.42Å; C458-L470 HydrophobicContact CB-CD1 3.52Å; C458-E472 CarbonylContact C-O 3.59Å; C458-E472 WeakPolarHBondContact CA-O 3.43Å; C458-E472 WeakPolarHBondContact CB-O 3.23Å; C458-L473 HydrophobicContact CB-CD2 4.21Å; C458-V482 HydrophobicContact CB-CG2 4.22Å
459	V	98.6	Very high	96.1	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	125.2	171.4	-177.4	0	0	0	0	110.7	R292 M452 I453 I454 T471 E472 M499	R292-V459 HydrophobicContact CG-CG2 3.97Å; M452-V459 HydrophobicContact CE-CG1 4.45Å; M452-V459 HydrophobicContact CG-CG1 3.98Å; M452-V459 HydrophobicContact SD-CG1 4.13Å; I453-V459 WeakPolarHBondContact O-CA 3.1Å; I454-V459 HydrophobicContact CG1-CG1 4.26Å; I454-V459 HydrophobicContact CG1-CG2 4.4Å; I454-V459 HydrophobicContact CG2-CG2 4.26Å; V459-T471 PolarHBondContact O-N 3.37Å; V459-T471 PolarHBondContact O-OG1 2.91Å; V459-T471 VanDerWaalsContact O-OG1 3.14Å; V459-E472 HydrophobicContact CB-CB 3.94Å; V459-E472 HydrophobicContact CB-CG 4.22Å; V459-E472 HydrophobicContact CG2-CB 3.96Å; V459-E472 HydrophobicContact CG2-CG 4.34Å; V459-E472 PolarHBondContact N-O 3.49Å; V459-M499 HydrophobicContact CG2-CG 4.08Å; V459-M499 HydrophobicContact CG2-SD 3.81Å
460	F	98.6	Very high	96.2	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	135.1	168.9	-69	-75.2	0	0	0	110.9	I436 M452 I453 C458 L468 L469 L470 V482 F490	I436-F460 HydrophobicContact CD1-CD2 3.77Å; I436-F460 HydrophobicContact CD1-CE2 3.77Å; M452-F460 CarbonylContact C-O 3.59Å; M452-F460 WeakPolarHBondContact CA-O 3.14Å; I453-F460 HydrophobicContact CB-CB 4.27Å; I453-F460 PolarHBondContact N-O 3.44Å; I453-F460 PolarHBondContact O-N 3.16Å; C458-F460 WeakPolarHBondContact SG-CE2 3.42Å; F460-L468 HydrophobicContact CD1-CB 3.9Å; F460-L468 HydrophobicContact CE1-CB 4.43Å; F460-L468 HydrophobicContact CG-CB 4.37Å; F460-L468 HydrophobicContact CG-CD1 4.43Å; F460-L469 WeakPolarHBondContact CA-O 3.32Å; F460-L470 HydrophobicContact CD1-CB 3.98Å; F460-L470 HydrophobicContact CD1-CD1 4.34Å; F460-L470 HydrophobicContact CE1-CB 3.63Å; F460-L470 HydrophobicContact CE1-CD1 3.94Å; F460-L470 HydrophobicContact CE1-CG 4.34Å; F460-L470 HydrophobicContact CZ-CD1 4.13Å; F460-V482 HydrophobicContact CE2-CG1 4.3Å; F460-V482 HydrophobicContact CZ-CG1 3.84Å; F460-F490 HydrophobicContact CD1-CB 4.42Å; F460-F490 HydrophobicContact CE1-CB 3.78Å; F460-F490 AromaticContact CE1-CD1 3.86Å; F460-F490 HydrophobicContact CE1-CD1 3.86Å; F460-F490 AromaticContact CE1-CD2 3.65Å; F460-F490 HydrophobicContact CE1-CD2 3.65Å; F460-F490 HydrophobicContact CE1-CE1 4.32Å; F460-F490 HydrophobicContact CE1-CE2 4.13Å; F460-F490 AromaticContact CE1-CG 3.49Å; F460-F490 HydrophobicContact CE1-CG 3.49Å; F460-F490 VanDerWaalsContact CE1-CG 3.49Å; F460-F490 HydrophobicContact CE1-CZ 4.43Å; F460-F490 AromaticContact CZ-CD1 3.8Å; F460-F490 HydrophobicContact CZ-CD1 3.8Å; F460-F490 HydrophobicContact CZ-CD2 4.21Å; F460-F490 AromaticContact CZ-CE1 3.94Å; F460-F490 HydrophobicContact CZ-CE1 3.94Å; F460-F490 HydrophobicContact CZ-CE2 4.33Å; F460-F490 AromaticContact CZ-CG 3.94Å; F460-F490 HydrophobicContact CZ-CG 3.94Å; F460-F490 HydrophobicContact CZ-CZ 4.2Å
461	N	98.3	Very high	96.2	Very high	54 Å²	54	33.8 Å²	33.8	29%	0.289	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	137.4	158.8	-73.6	-21	0	0	0	108.8	M452 L469	M452-N461 WeakPolarHBondContact CE-OD1 3.03Å; N461-L469 PolarHBondContact N-O 3.13Å; N461-L469 PolarHBondContact O-N 2.72Å
462	V	98.1	Very high	96.2	Very high	28 Å²	28	31 Å²	31	17%	0.17	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	125.7	168.8	-175	0	0	0	0	107.7	V450 D451 I453 G467 L468	V450-V462 HydrophobicContact CB-CG2 4.33Å; V450-V462 HydrophobicContact CG1-CG2 4.08Å; V450-V462 WeakPolarHBondContact O-CB 3.48Å; V450-V462 WeakPolarHBondContact O-CG1 3.47Å; V450-V462 WeakPolarHBondContact O-CG2 3.33Å; D451-V462 PolarHBondContact O-N 2.94Å; I453-V462 HydrophobicContact CD1-CG2 4.49Å; I453-V462 HydrophobicContact CG1-CG2 4.47Å; V462-G467 CarbonylContact C-O 3.59Å; V462-G467 WeakPolarHBondContact CA-O 3.33Å; V462-L468 HydrophobicContact CG2-CD2 3.84Å
463	T	96.1	Very high	96.1	Very high	29 Å²	29	32.1 Å²	32.1	18%	0.178	17%	0.171	C	C	.	.	P	Polyproline II helix	trans	-83.8	155.7	-177.5	65.3	0	0	0	0	110.6	D465 G466 G467 L469	T463-D465 WeakPolarHBondContact CB-OD1 3.5Å; T463-D465 PolarHBondContact O-N 2.89Å; T463-D465 PolarHBondContact OG1-OD1 2.87Å; T463-G466 PolarHBondContact O-N 3.14Å; T463-G467 PolarHBondContact N-O 3.26Å; T463-G467 WeakPolarHBondContact OG1-CA 3.28Å; T463-G467 PolarHBondContact OG1-N 2.95Å; T463-G467 PolarHBondContact OG1-O 3.15Å; T463-L469 HydrophobicContact CG2-CB 3.92Å
464	K	87.4	Confident	95.9	Very high	224 Å²	224	32.4 Å²	32.4	97%	0.974	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-25.5	-177.1	-67.9	-173.7	177	-176.3	0	113.8	G466	K464-G466 VanDerWaalsContact C-N 3.27Å
465	D	88.4	Confident	95.4	Very high	133 Å²	133	37.2 Å²	37.2	71%	0.711	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-1.7	174.5	60.1	-39.7	0	0	0	113.2	T463	T463-D465 WeakPolarHBondContact CB-OD1 3.5Å; T463-D465 PolarHBondContact O-N 2.89Å; T463-D465 PolarHBondContact OG1-OD1 2.87Å
466	G	84.9	Confident	94.9	Very high	20 Å²	20	44.5 Å²	44.5	21%	0.206	24%	0.235	C	C	.	.	S	Bend	trans	87.5	32.9	174.6	0	0	0	0	0	114.3	R391 T463 K464	R391-G466 WeakPolarHBondContact CA-O 3.12Å; R391-G466 WeakPolarHBondContact CG-O 3.26Å; T463-G466 PolarHBondContact O-N 3.14Å; K464-G466 VanDerWaalsContact C-N 3.27Å
467	G	94.4	Very high	94.9	Very high	20 Å²	20	45 Å²	45	21%	0.206	24%	0.238	C	C	.	.			trans	-112.8	-178.6	170.6	0	0	0	0	0	112.5	C390 V462 T463	C390-G467 CarbonylContact O-C 3.59Å; V462-G467 CarbonylContact C-O 3.59Å; V462-G467 WeakPolarHBondContact CA-O 3.33Å; T463-G467 PolarHBondContact N-O 3.26Å; T463-G467 WeakPolarHBondContact OG1-CA 3.28Å; T463-G467 PolarHBondContact OG1-N 2.95Å; T463-G467 PolarHBondContact OG1-O 3.15Å
468	L	98.2	Very high	94.8	Very high	2 Å²	2	47.5 Å²	47.5	1%	0.01	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	138.1	175.3	-59.9	-176.1	0	0	0	110.8	C390 I436 I453 F460 V462 C488 F490 Q491	C390-L468 WeakPolarHBondContact O-CG 3.28Å; I436-L468 HydrophobicContact CG2-CD1 3.64Å; I453-L468 HydrophobicContact CD1-CD1 4.44Å; I453-L468 HydrophobicContact CD1-CD2 3.95Å; F460-L468 HydrophobicContact CD1-CB 3.9Å; F460-L468 HydrophobicContact CE1-CB 4.43Å; F460-L468 HydrophobicContact CG-CB 4.37Å; F460-L468 HydrophobicContact CG-CD1 4.43Å; V462-L468 HydrophobicContact CG2-CD2 3.84Å; L468-C488 HydrophobicContact CD1-CB 4.09Å; L468-F490 HydrophobicContact CB-CB 3.78Å; L468-F490 WeakPolarHBondContact O-CA 3.22Å; L468-Q491 PolarHBondContact O-N 2.87Å
469	L	98.1	Very high	94.8	Very high	44 Å²	44	50.3 Å²	50.3	23%	0.23	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	112.5	173.4	-179.9	67.6	0	0	0	110	F460 N461 T463 T471 Q491 A493	F460-L469 WeakPolarHBondContact CA-O 3.32Å; N461-L469 PolarHBondContact N-O 3.13Å; N461-L469 PolarHBondContact O-N 2.72Å; T463-L469 HydrophobicContact CG2-CB 3.92Å; L469-T471 HydrophobicContact CD2-CG2 4.13Å; L469-T471 HydrophobicContact CG-CG2 4.07Å; L469-T471 PolarHBondContact O-N 2.83Å; L469-Q491 WeakPolarHBondContact CA-O 3.42Å; L469-Q491 HydrophobicContact CD1-CB 3.8Å; L469-A493 HydrophobicContact CD1-CB 4.13Å; L469-A493 HydrophobicContact CG-CB 4.36Å
470	L	98.5	Very high	94.7	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	118.9	173.4	179.5	65.2	0	0	0	109.5	C458 F460 L473 L479 F490 Q491 V492 A493	C458-L470 HydrophobicContact CB-CD1 3.52Å; F460-L470 HydrophobicContact CD1-CB 3.98Å; F460-L470 HydrophobicContact CD1-CD1 4.34Å; F460-L470 HydrophobicContact CE1-CB 3.63Å; F460-L470 HydrophobicContact CE1-CD1 3.94Å; F460-L470 HydrophobicContact CE1-CG 4.34Å; F460-L470 HydrophobicContact CZ-CD1 4.13Å; L470-L473 HydrophobicContact CD1-CD2 4.31Å; L470-L473 HydrophobicContact CD2-CD2 4.15Å; L470-L473 HydrophobicContact CD2-CG 4.44Å; L470-L479 HydrophobicContact CD2-CD1 3.46Å; L470-L479 VanDerWaalsContact CD2-CD1 3.46Å; L470-F490 HydrophobicContact CB-CD2 4.02Å; L470-F490 HydrophobicContact CB-CE2 4.15Å; L470-F490 HydrophobicContact CD2-CE2 3.94Å; L470-Q491 PolarHBondContact N-O 2.75Å; L470-V492 HydrophobicContact CD2-CG1 4.47Å; L470-V492 HydrophobicContact CD2-CG2 4.4Å; L470-A493 VanDerWaalsContact O-CB 3.27Å; L470-A493 WeakPolarHBondContact O-CB 3.44Å; L470-A493 PolarHBondContact O-N 3.41Å
471	T	97.9	Very high	94.7	Very high	23 Å²	23	59.9 Å²	59.9	14%	0.141	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	-27.8	-175.8	55.4	0	0	0	0	113.8	V459 L469 A493 K497	V459-T471 PolarHBondContact O-N 3.37Å; V459-T471 PolarHBondContact O-OG1 2.91Å; V459-T471 VanDerWaalsContact O-OG1 3.14Å; L469-T471 HydrophobicContact CD2-CG2 4.13Å; L469-T471 HydrophobicContact CG-CG2 4.07Å; L469-T471 PolarHBondContact O-N 2.83Å; T471-A493 HydrophobicContact CG2-CB 4.48Å; T471-K497 PolarHBondContact O-N 3.41Å
472	E	98.1	Very high	94.6	Very high	16 Å²	16	57.3 Å²	57.3	8%	0.075	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	146.2	179.9	-52.4	-176.3	-162.4	0	0	111.8	R292 C458 V459 K497 M499 K500	R292-E472 WeakPolarHBondContact CD-OE2 3.3Å; R292-E472 IonicContact CZ-OE1 2.78Å; R292-E472 IonicContact CZ-OE2 2.65Å; R292-E472 VanDerWaalsContact NE-CD 3.29Å; R292-E472 IonicContact NE-OE1 2.83Å; R292-E472 PolarHBondContact NE-OE1 3.45Å; R292-E472 IonicContact NE-OE2 3.75Å; R292-E472 PolarHBondContact NE-OE2 3.39Å; R292-E472 IonicContact NH2-OE1 3.36Å; R292-E472 PolarHBondContact NH2-OE1 3.42Å; R292-E472 IonicContact NH2-OE2 2.82Å; C458-E472 CarbonylContact C-O 3.59Å; C458-E472 WeakPolarHBondContact CA-O 3.43Å; C458-E472 WeakPolarHBondContact CB-O 3.23Å; V459-E472 HydrophobicContact CB-CB 3.94Å; V459-E472 HydrophobicContact CB-CG 4.22Å; V459-E472 HydrophobicContact CG2-CB 3.96Å; V459-E472 HydrophobicContact CG2-CG 4.34Å; V459-E472 PolarHBondContact N-O 3.49Å; E472-K497 CarbonylContact C-O 3.58Å; E472-K497 WeakPolarHBondContact CA-O 3.36Å; E472-K497 HydrophobicContact CG-CB 4.27Å; E472-M499 HydrophobicContact CB-CB 4.12Å; E472-M499 HydrophobicContact CB-CG 4.34Å; E472-M499 VanDerWaalsContact OE2-CA 3.32Å; E472-M499 WeakPolarHBondContact OE2-CA 3.29Å; E472-K500 PolarHBondContact OE2-N 3.13Å
473	L	97.7	Very high	94.6	Very high	32 Å²	32	59.8 Å²	59.8	17%	0.168	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	135.1	173.5	-76	170.4	0	0	0	110.5	C458 L470 I477 V482 V496 K497 M499	C458-L473 HydrophobicContact CB-CD2 4.21Å; L470-L473 HydrophobicContact CD1-CD2 4.31Å; L470-L473 HydrophobicContact CD2-CD2 4.15Å; L470-L473 HydrophobicContact CD2-CG 4.44Å; L473-I477 HydrophobicContact CD2-CG2 4.17Å; L473-V482 HydrophobicContact CD2-CG2 3.54Å; L473-V496 HydrophobicContact CB-CG1 4.23Å; L473-V496 HydrophobicContact CD1-CG1 3.86Å; L473-V496 HydrophobicContact CG-CG1 3.7Å; L473-K497 PolarHBondContact N-O 2.69Å; L473-M499 WeakPolarHBondContact O-CB 3.3Å; L473-M499 PolarHBondContact O-N 3.07Å
474	G	93.6	Very high	94.7	Very high	5 Å²	5	65.6 Å²	65.6	5%	0.052	34%	0.34	C	S	.	.			trans	-60.7	153.7	172.4	0	0	0	0	0	111.7	M457 D476 I477	M457-G474 PolarHBondContact O-N 3.22Å; G474-D476 PolarHBondContact O-N 2.65Å; G474-I477 WeakPolarHBondContact O-CB 3.16Å; G474-I477 PolarHBondContact O-N 3.3Å; G474-I477 VanDerWaalsContact O-N 3.08Å
475	E	88.2	Confident	95.2	Very high	102 Å²	102	55.1 Å²	55.1	48%	0.477	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	135.8	170.7	-171.4	177.5	-152.4	0	0	109.8	R288 I477 S502	R288-E475 PolarHBondContact NH1-O 3.06Å; R288-E475 IonicContact NH2-OE2 3.54Å; E475-I477 PolarHBondContact O-N 3.08Å; E475-S502 WeakPolarHBondContact OE2-CB 3.4Å
476	D	87.8	Confident	95.7	Very high	152 Å²	152	49.4 Å²	49.4	81%	0.813	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.8	10.2	-175.5	-51	-42.9	0	0	0	116.4	G474	G474-D476 PolarHBondContact O-N 2.65Å
477	I	95.1	Very high	96.3	Very high	43 Å²	43	52.2 Å²	52.2	22%	0.221	28%	0.275	C	S	.	.			trans	-101.4	122.9	177.4	-56.7	-65.8	0	0	0	110.4	M457 L473 G474 E475 V482	M457-I477 HydrophobicContact CB-CG1 4.45Å; M457-I477 HydrophobicContact CB-CG2 4.15Å; M457-I477 HydrophobicContact CG-CD1 4.18Å; L473-I477 HydrophobicContact CD2-CG2 4.17Å; G474-I477 WeakPolarHBondContact O-CB 3.16Å; G474-I477 PolarHBondContact O-N 3.3Å; G474-I477 VanDerWaalsContact O-N 3.08Å; E475-I477 PolarHBondContact O-N 3.08Å; I477-V482 HydrophobicContact CG2-CG2 3.61Å
478	T	95.7	Very high	96.3	Very high	71 Å²	71	52 Å²	52	44%	0.436	27%	0.27	S	S	.	.			trans	-90	157.3	174.6	83.5	0	0	0	0	111.7	E480 K481 V482	T478-E480 VanDerWaalsContact C-N 3.28Å; T478-E480 WeakPolarHBondContact CB-OE2 3.29Å; T478-E480 PolarHBondContact O-N 3Å; T478-E480 PolarHBondContact OG1-N 3.45Å; T478-E480 PolarHBondContact OG1-OE2 2.66Å; T478-K481 PolarHBondContact O-N 2.65Å; T478-K481 PolarHBondContact OG1-N 3.14Å; T478-V482 PolarHBondContact O-N 2.76Å
479	L	96.6	Very high	96	Very high	59 Å²	59	60.9 Å²	60.9	31%	0.309	31%	0.311	S	S	.	.	H	α-helix	trans	-58	-42.3	175.3	176.4	60.3	0	0	0	111.4	L470 K481 V482 V483 F490 V492	L470-L479 HydrophobicContact CD2-CD1 3.46Å; L470-L479 VanDerWaalsContact CD2-CD1 3.46Å; L479-K481 PolarHBondContact O-N 3.36Å; L479-V482 PolarHBondContact O-N 3.39Å; L479-V482 VanDerWaalsContact O-N 3.12Å; L479-V483 HydrophobicContact CD1-CG2 4.27Å; L479-V483 HydrophobicContact CG-CG2 4.39Å; L479-V483 WeakPolarHBondContact O-CG2 3.16Å; L479-V483 PolarHBondContact O-N 3.28Å; L479-F490 HydrophobicContact CD1-CE2 4.03Å; L479-F490 HydrophobicContact CD1-CZ 4.39Å; L479-V492 HydrophobicContact CD1-CG2 3.9Å; L479-V492 HydrophobicContact CD2-CG2 4.26Å
480	E	97.3	Very high	96	Very high	117 Å²	117	60.5 Å²	60.5	55%	0.547	31%	0.308	S	S	.	.	H	α-helix	trans	-60	-38.3	179.5	-58.3	73.6	-159.3	0	0	111.2	T478 V483 Q484	T478-E480 VanDerWaalsContact C-N 3.28Å; T478-E480 WeakPolarHBondContact CB-OE2 3.29Å; T478-E480 PolarHBondContact O-N 3Å; T478-E480 PolarHBondContact OG1-N 3.45Å; T478-E480 PolarHBondContact OG1-OE2 2.66Å; E480-V483 PolarHBondContact O-N 3.24Å; E480-Q484 WeakPolarHBondContact O-CB 3.43Å; E480-Q484 VanDerWaalsContact O-CG 3.25Å; E480-Q484 WeakPolarHBondContact O-CG 3.38Å; E480-Q484 PolarHBondContact O-N 3.16Å
481	K	97.4	Very high	96	Very high	84 Å²	84	66 Å²	66	37%	0.365	33%	0.334	S	S	.	.	H	α-helix	trans	-66.3	-40.4	177.4	-179.9	55.7	-177.4	154.3	0	111.7	T478 L479 Q484 S485	T478-K481 PolarHBondContact O-N 2.65Å; T478-K481 PolarHBondContact OG1-N 3.14Å; L479-K481 PolarHBondContact O-N 3.36Å; K481-Q484 PolarHBondContact O-N 3.22Å; K481-S485 WeakPolarHBondContact CE-OG 3.31Å; K481-S485 PolarHBondContact NZ-OG 3.02Å; K481-S485 VanDerWaalsContact O-CB 3.25Å; K481-S485 WeakPolarHBondContact O-CB 3.47Å; K481-S485 PolarHBondContact O-N 3.23Å; K481-S485 VanDerWaalsContact O-N 3.11Å; K481-S485 PolarHBondContact O-OG 2.88Å
482	V	98.2	Very high	96	Very high	0 Å²	0	68 Å²	68	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-63.8	-47.5	175.2	178.7	0	0	0	0	110.4	C458 F460 L473 I477 T478 L479 Q484 S485 T486 F490	C458-V482 HydrophobicContact CB-CG2 4.22Å; F460-V482 HydrophobicContact CE2-CG1 4.3Å; F460-V482 HydrophobicContact CZ-CG1 3.84Å; L473-V482 HydrophobicContact CD2-CG2 3.54Å; I477-V482 HydrophobicContact CG2-CG2 3.61Å; T478-V482 PolarHBondContact O-N 2.76Å; L479-V482 PolarHBondContact O-N 3.39Å; L479-V482 VanDerWaalsContact O-N 3.12Å; V482-Q484 VanDerWaalsContact C-N 3.3Å; V482-Q484 PolarHBondContact O-N 3.34Å; V482-S485 CarbonylContact O-C 3.51Å; V482-S485 PolarHBondContact O-N 2.79Å; V482-T486 WeakPolarHBondContact O-CB 3Å; V482-T486 PolarHBondContact O-N 2.82Å; V482-T486 PolarHBondContact O-OG1 2.62Å; V482-F490 HydrophobicContact CB-CZ 4.45Å; V482-F490 HydrophobicContact CG1-CE1 4.16Å; V482-F490 HydrophobicContact CG1-CZ 3.79Å
483	V	97.9	Very high	95.9	Very high	80 Å²	80	68.3 Å²	68.3	49%	0.485	35%	0.351	S	S	.	.	H	α-helix	trans	-56.1	-44.5	176.5	173	0	0	0	0	111.2	L479 E480 S485 F490	L479-V483 HydrophobicContact CD1-CG2 4.27Å; L479-V483 HydrophobicContact CG-CG2 4.39Å; L479-V483 WeakPolarHBondContact O-CG2 3.16Å; L479-V483 PolarHBondContact O-N 3.28Å; E480-V483 PolarHBondContact O-N 3.24Å; V483-S485 VanDerWaalsContact C-N 3.25Å; V483-S485 PolarHBondContact O-N 2.62Å; V483-F490 HydrophobicContact CB-CZ 4.43Å; V483-F490 HydrophobicContact CG2-CE1 4.25Å; V483-F490 HydrophobicContact CG2-CE2 4.3Å; V483-F490 HydrophobicContact CG2-CZ 3.57Å
484	Q	97.2	Very high	95.8	Very high	151 Å²	151	75.2 Å²	75.2	71%	0.706	39%	0.388	S	S	*	.	H	α-helix	trans	-70	-19.1	178.3	-71.7	171.4	7.7	0	0	114.3	E480 K481 V482	E480-Q484 WeakPolarHBondContact O-CB 3.43Å; E480-Q484 VanDerWaalsContact O-CG 3.25Å; E480-Q484 WeakPolarHBondContact O-CG 3.38Å; E480-Q484 PolarHBondContact O-N 3.16Å; K481-Q484 PolarHBondContact O-N 3.22Å; V482-Q484 VanDerWaalsContact C-N 3.3Å; V482-Q484 PolarHBondContact O-N 3.34Å
485	S	98	Very high	95.8	Very high	4 Å²	4	80 Å²	80	3%	0.028	42%	0.416	C	S	.	.	H	α-helix	trans	-107.9	1	-173.4	-51.7	0	0	0	0	112.9	H427 L428 P434 K481 V482 V483	H427-S485 PolarHBondContact CD2-O 2.97Å; H427-S485 VanDerWaalsContact CD2-O 3.3Å; H427-S485 PolarHBondContact NE2-O 2.88Å; L428-S485 WeakPolarHBondContact CD2-O 3.36Å; P434-S485 WeakPolarHBondContact CB-O 3.39Å; K481-S485 WeakPolarHBondContact CE-OG 3.31Å; K481-S485 PolarHBondContact NZ-OG 3.02Å; K481-S485 VanDerWaalsContact O-CB 3.25Å; K481-S485 WeakPolarHBondContact O-CB 3.47Å; K481-S485 PolarHBondContact O-N 3.23Å; K481-S485 VanDerWaalsContact O-N 3.11Å; K481-S485 PolarHBondContact O-OG 2.88Å; V482-S485 CarbonylContact O-C 3.51Å; V482-S485 PolarHBondContact O-N 2.79Å; V483-S485 VanDerWaalsContact C-N 3.25Å; V483-S485 PolarHBondContact O-N 2.62Å
486	T	98.4	Very high	96	Very high	12 Å²	12	77.4 Å²	77.4	7%	0.074	41%	0.407	C	S	.	.			trans	-118.7	125.7	-179.1	-48.4	0	0	0	0	109	H427 I436 V482 C488 F490	H427-T486 PolarHBondContact NE2-OG1 3.02Å; I436-T486 HydrophobicContact CB-CG2 3.88Å; I436-T486 HydrophobicContact CG2-CG2 3.66Å; V482-T486 WeakPolarHBondContact O-CB 3Å; V482-T486 PolarHBondContact O-N 2.82Å; V482-T486 PolarHBondContact O-OG1 2.62Å; T486-C488 HydrophobicContact CG2-CB 3.76Å; T486-C488 PolarHBondContact O-N 3.37Å; T486-F490 HydrophobicContact CG2-CD1 4.12Å; T486-F490 HydrophobicContact CG2-CE1 4.17Å
487	D	97.2	Very high	96.3	Very high	80 Å²	80	75.8 Å²	75.8	43%	0.428	39%	0.393	S	S	.	.	S	Bend	trans	-88.6	45.7	172.5	176.3	52.5	0	0	0	110.6	P434 I436 V437 S438	P434-D487 HydrophobicContact CB-CB 4.14Å; P434-D487 HydrophobicContact CG-CB 4.46Å; I436-D487 PolarHBondContact O-N 2.69Å; V437-D487 CarbonylContact C-O 3.55Å; V437-D487 VanDerWaalsContact C-O 3.27Å; S438-D487 WeakPolarHBondContact CA-O 3.35Å; S438-D487 PolarHBondContact N-O 2.92Å; S438-D487 PolarHBondContact N-OD2 2.85Å; S438-D487 PolarHBondContact OG-OD2 2.97Å
488	C	94.3	Very high	96.2	Very high	16 Å²	16	78.6 Å²	78.6	11%	0.108	41%	0.414	C	S	.	.	S	Bend	trans	-142.2	140.2	178.2	-78.4	0	0	0	0	110.6	C390 I436 V437 L468 T486 F490	C390-C488 WeakPolarHBondContact CA-SG 3.28Å; C390-C488 HydrophobicContact CB-CB 3.88Å; C390-C488 WeakPolarHBondContact CB-SG 3.13Å; C390-C488 PolarHBondContact N-SG 3.21Å; C390-C488 VanDerWaalsContact N-SG 3.38Å; C390-C488 WeakPolarHBondContact SG-CA 3.36Å; C390-C488 WeakPolarHBondContact SG-CB 3.35Å; C390-C488 CovalentContact SG-SG 2.02Å; C390-C488 PolarHBondContact SG-SG 2.86Å; I436-C488 HydrophobicContact CG2-CB 4.35Å; V437-C488 PolarHBondContact O-SG 2.64Å; L468-C488 HydrophobicContact CD1-CB 4.09Å; T486-C488 HydrophobicContact CG2-CB 3.76Å; T486-C488 PolarHBondContact O-N 3.37Å; C488-F490 VanDerWaalsContact O-CD1 3.32Å; C488-F490 WeakPolarHBondContact O-CD1 3.26Å
489	E	93.7	Very high	95.9	Very high	187 Å²	187	75.3 Å²	75.3	87%	0.874	39%	0.393	S	S	*	.			trans	-70.3	135	157	-66.1	-174.1	178.9	0	0	109
490	F	97.5	Very high	94.8	Very high	37 Å²	37	78.8 Å²	78.8	16%	0.162	41%	0.406	C	S	.	.			trans	-143.4	152.9	178.9	58.3	-101.2	0	0	0	111	F460 L468 L470 L479 V482 V483 T486 C488 V492	F460-F490 HydrophobicContact CD1-CB 4.42Å; F460-F490 HydrophobicContact CE1-CB 3.78Å; F460-F490 AromaticContact CE1-CD1 3.86Å; F460-F490 HydrophobicContact CE1-CD1 3.86Å; F460-F490 AromaticContact CE1-CD2 3.65Å; F460-F490 HydrophobicContact CE1-CD2 3.65Å; F460-F490 HydrophobicContact CE1-CE1 4.32Å; F460-F490 HydrophobicContact CE1-CE2 4.13Å; F460-F490 AromaticContact CE1-CG 3.49Å; F460-F490 HydrophobicContact CE1-CG 3.49Å; F460-F490 VanDerWaalsContact CE1-CG 3.49Å; F460-F490 HydrophobicContact CE1-CZ 4.43Å; F460-F490 AromaticContact CZ-CD1 3.8Å; F460-F490 HydrophobicContact CZ-CD1 3.8Å; F460-F490 HydrophobicContact CZ-CD2 4.21Å; F460-F490 AromaticContact CZ-CE1 3.94Å; F460-F490 HydrophobicContact CZ-CE1 3.94Å; F460-F490 HydrophobicContact CZ-CE2 4.33Å; F460-F490 AromaticContact CZ-CG 3.94Å; F460-F490 HydrophobicContact CZ-CG 3.94Å; F460-F490 HydrophobicContact CZ-CZ 4.2Å; L468-F490 HydrophobicContact CB-CB 3.78Å; L468-F490 WeakPolarHBondContact O-CA 3.22Å; L470-F490 HydrophobicContact CB-CD2 4.02Å; L470-F490 HydrophobicContact CB-CE2 4.15Å; L470-F490 HydrophobicContact CD2-CE2 3.94Å; L479-F490 HydrophobicContact CD1-CE2 4.03Å; L479-F490 HydrophobicContact CD1-CZ 4.39Å; V482-F490 HydrophobicContact CB-CZ 4.45Å; V482-F490 HydrophobicContact CG1-CE1 4.16Å; V482-F490 HydrophobicContact CG1-CZ 3.79Å; V483-F490 HydrophobicContact CB-CZ 4.43Å; V483-F490 HydrophobicContact CG2-CE1 4.25Å; V483-F490 HydrophobicContact CG2-CE2 4.3Å; V483-F490 HydrophobicContact CG2-CZ 3.57Å; T486-F490 HydrophobicContact CG2-CD1 4.12Å; T486-F490 HydrophobicContact CG2-CE1 4.17Å; C488-F490 VanDerWaalsContact O-CD1 3.32Å; C488-F490 WeakPolarHBondContact O-CD1 3.26Å; F490-V492 HydrophobicContact CD2-CG2 4.31Å; F490-V492 HydrophobicContact CE2-CG2 4.12Å
491	Q	97.3	Very high	93.1	Very high	116 Å²	116	74.5 Å²	74.5	54%	0.542	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	151.6	172.5	-63	177.2	13.1	0	0	109.8	L468 L469 L470	L468-Q491 PolarHBondContact O-N 2.87Å; L469-Q491 WeakPolarHBondContact CA-O 3.42Å; L469-Q491 HydrophobicContact CD1-CB 3.8Å; L470-Q491 PolarHBondContact N-O 2.75Å
492	V	97.9	Very high	90.8	Very high	65 Å²	65	74.4 Å²	74.4	39%	0.394	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	127.5	174.1	-175.9	0	0	0	0	107.9	L470 L479 F490 V496	L470-V492 HydrophobicContact CD2-CG1 4.47Å; L470-V492 HydrophobicContact CD2-CG2 4.4Å; L479-V492 HydrophobicContact CD1-CG2 3.9Å; L479-V492 HydrophobicContact CD2-CG2 4.26Å; F490-V492 HydrophobicContact CD2-CG2 4.31Å; F490-V492 HydrophobicContact CE2-CG2 4.12Å; V492-V496 HydrophobicContact CG1-CG2 3.37Å
493	A	96.7	Very high	90.4	Very high	22 Å²	22	78.2 Å²	78.2	18%	0.182	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	146.6	176.5	0	0	0	0	0	111.1	L469 L470 T471 V495	L469-A493 HydrophobicContact CD1-CB 4.13Å; L469-A493 HydrophobicContact CG-CB 4.36Å; L470-A493 VanDerWaalsContact O-CB 3.27Å; L470-A493 WeakPolarHBondContact O-CB 3.44Å; L470-A493 PolarHBondContact O-N 3.41Å; T471-A493 HydrophobicContact CG2-CB 4.48Å; A493-V495 PolarHBondContact O-N 3.44Å
494	D	95.2	Very high	90	Very high	176 Å²	176	78.1 Å²	78.1	94%	0.941	42%	0.42	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-52.2	-33.1	178.2	-63.4	-29.8	0	0	0	112.8
495	V	93.4	Very high	89.6	Confident	107 Å²	107	74 Å²	74	65%	0.648	41%	0.405	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.7	100.7	173.2	-176.5	0	0	0	0	109.1	A493	A493-V495 PolarHBondContact O-N 3.44Å
496	V	94	Very high	89.1	Confident	46 Å²	46	78.1 Å²	78.1	28%	0.279	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	119.8	170.1	-175.7	0	0	0	0	108.9	L473 V492	L473-V496 HydrophobicContact CB-CG1 4.23Å; L473-V496 HydrophobicContact CD1-CG1 3.86Å; L473-V496 HydrophobicContact CG-CG1 3.7Å; V492-V496 HydrophobicContact CG1-CG2 3.37Å
497	K	93.3	Very high	88.5	Confident	119 Å²	119	82.3 Å²	82.3	52%	0.517	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	153.5	-178.2	-64	171.1	-174.1	167.5	0	110.6	T471 E472 L473 M499	T471-K497 PolarHBondContact O-N 3.41Å; E472-K497 CarbonylContact C-O 3.58Å; E472-K497 WeakPolarHBondContact CA-O 3.36Å; E472-K497 HydrophobicContact CG-CB 4.27Å; L473-K497 PolarHBondContact N-O 2.69Å; K497-M499 PolarHBondContact O-N 2.86Å
498	P	92.6	Very high	87.9	Confident	102 Å²	102	82.4 Å²	82.4	66%	0.662	45%	0.45	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.8	135.3	162.8	27.8	-33.1	0	0	0	108.8	K500	P498-K500 PolarHBondContact O-N 2.91Å; P498-K500 VanDerWaalsContact O-N 3.13Å
499	M	89.8	Confident	87.5	Confident	2 Å²	2	87.1 Å²	87.1	1%	0.01	48%	0.475	C	S	.	.	P	Polyproline II helix	trans	-63.3	117.7	-178.9	-168.4	171.5	67.3	0	0	109.3	R288 R292 V459 E472 L473 K497 S502	R288-M499 VanDerWaalsContact CD-CE 3.46Å; R288-M499 HydrophobicContact CG-CE 3.46Å; R288-M499 VanDerWaalsContact CG-CE 3.46Å; R292-M499 HydrophobicContact CB-CG 4.24Å; R292-M499 HydrophobicContact CB-SD 4.35Å; R292-M499 HydrophobicContact CG-CG 3.78Å; R292-M499 HydrophobicContact CG-SD 4.09Å; V459-M499 HydrophobicContact CG2-CG 4.08Å; V459-M499 HydrophobicContact CG2-SD 3.81Å; E472-M499 HydrophobicContact CB-CB 4.12Å; E472-M499 HydrophobicContact CB-CG 4.34Å; E472-M499 VanDerWaalsContact OE2-CA 3.32Å; E472-M499 WeakPolarHBondContact OE2-CA 3.29Å; L473-M499 WeakPolarHBondContact O-CB 3.3Å; L473-M499 PolarHBondContact O-N 3.07Å; K497-M499 PolarHBondContact O-N 2.86Å; M499-S502 PolarHBondContact O-OG 3.15Å; M499-S502 VanDerWaalsContact O-OG 3.05Å
500	K	73.3	Confident	87	Confident	131 Å²	131	79.5 Å²	79.5	57%	0.57	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	140.4	-175.2	-71.9	-175.2	177.4	-177	0	110.8	R292 L295 E472 P498	R292-K500 WeakPolarHBondContact CD-O 3.44Å; L295-K500 HydrophobicContact CD1-CB 3.37Å; L295-K500 HydrophobicContact CD1-CD 4.15Å; L295-K500 HydrophobicContact CD1-CG 4.43Å; E472-K500 PolarHBondContact OE2-N 3.13Å; P498-K500 PolarHBondContact O-N 2.91Å; P498-K500 VanDerWaalsContact O-N 3.13Å
501	G	61.1	Low	86.1	Confident	28 Å²	28	83 Å²	83	29%	0.289	47%	0.467	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.5	29.6	-176	0	0	0	0	0	113.4	R291	R291-G501 WeakPolarHBondContact CD-O 3.29Å; R291-G501 PolarHBondContact NH1-O 3.11Å
502	S	49.2	Very low	85.1	Confident	82 Å²	82	80 Å²	80	57%	0.573	46%	0.46	S	S	*	.			trans	-52.9	0	165.1	-21.5	0	0	0	0	111	R291 E475 M499	R291-S502 PolarHBondContact NH1-O 3.15Å; R291-S502 PolarHBondContact NH1-OXT 3.38Å; E475-S502 WeakPolarHBondContact OE2-CB 3.4Å; M499-S502 PolarHBondContact O-OG 3.15Å; M499-S502 VanDerWaalsContact O-OG 3.05Å

Retrieved 502 of 502 residues in 324.6 ms (Link to these results)

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