A0A5K4F6P0_SCHMA Loading...

Loricrin

AlphaFold DB , UniProt , Accession A0A5K4F6P0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 735 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	52.8	Low	67.3	Low	214 Å²	214	158.2 Å²	158.2	100%	1.054	72%	0.715	S	S	*	*				0	-40	0	-93.3	166	145.5	0	0	114.3	L3 R4	M1-L3 PolarHBondContact O-N 3.21Å; M1-R4 PolarHBondContact O-N 2.89Å
2	K	64	Low	67.6	Low	183 Å²	183	149.5 Å²	149.5	80%	0.796	68%	0.683	S	S	*	*	H	α-helix	trans	-63.2	-31	-175.5	-67.8	-177.8	176.6	179.5	0	117	Y6	K2-Y6 PolarHBondContact O-N 3.17Å
3	L	60.3	Low	67.8	Low	150 Å²	150	140.9 Å²	140.9	79%	0.785	66%	0.655	S	S	*	*	H	α-helix	trans	-71.5	-29.1	-179.1	-105.3	113.1	0	0	0	114.3	M1 S7	M1-L3 PolarHBondContact O-N 3.21Å; L3-S7 PolarHBondContact O-N 2.99Å; L3-S7 PolarHBondContact O-OG 2.88Å
4	R	58.9	Low	68	Low	224 Å²	224	135.9 Å²	135.9	85%	0.845	64%	0.639	S	S	*	*	H	α-helix	trans	-71.8	-38.1	179.1	-99.2	-172.4	174.4	-170.3	-0.9	111.9	M1 F8	M1-R4 PolarHBondContact O-N 2.89Å; R4-F8 PolarHBondContact O-N 3Å
5	E	69.1	Low	67.8	Low	140 Å²	140	132.9 Å²	132.9	65%	0.654	63%	0.628	S	S	*	*	H	α-helix	trans	-67	-40.7	178.3	-69.3	173.9	172.7	0	0	111.6	S7 F8 Y9	E5-S7 PolarHBondContact O-N 3.32Å; E5-F8 PolarHBondContact O-N 3.12Å; E5-Y9 PolarHBondContact O-N 3.4Å; E5-Y9 VanDerWaalsContact O-N 3.09Å
6	Y	70.6	Confident	67.6	Low	178 Å²	178	131.7 Å²	131.7	70%	0.698	63%	0.625	S	S	*	*	H	α-helix	trans	-64.8	-41.2	178.5	-138	-89	0	0	0	112.4	K2 F8 Y9 M10	K2-Y6 PolarHBondContact O-N 3.17Å; Y6-F8 VanDerWaalsContact C-N 3.33Å; Y6-F8 PolarHBondContact O-N 3.29Å; Y6-Y9 PolarHBondContact O-N 3.5Å; Y6-M10 HydrophobicContact CD1-CG 4.29Å; Y6-M10 WeakPolarHBondContact O-CG 3.07Å; Y6-M10 PolarHBondContact O-N 3.27Å
7	S	68.3	Low	67.1	Low	76 Å²	76	129.9 Å²	129.9	53%	0.531	62%	0.619	S	S	.	*	H	α-helix	trans	-64.4	-39	177.8	-60	0	0	0	0	111.9	L3 E5 M10 F11	L3-S7 PolarHBondContact O-N 2.99Å; L3-S7 PolarHBondContact O-OG 2.88Å; E5-S7 PolarHBondContact O-N 3.32Å; S7-M10 PolarHBondContact O-N 2.91Å; S7-F11 WeakPolarHBondContact O-CB 3.26Å; S7-F11 PolarHBondContact O-N 3.06Å
8	F	75.3	Confident	66.2	Low	144 Å²	144	127.9 Å²	127.9	63%	0.632	61%	0.611	S	S	*	*	H	α-helix	trans	-66.7	-38.3	177.5	-164.8	-95.5	0	0	0	112	R4 E5 Y6 F11 T12	R4-F8 PolarHBondContact O-N 3Å; E5-F8 PolarHBondContact O-N 3.12Å; Y6-F8 VanDerWaalsContact C-N 3.33Å; Y6-F8 PolarHBondContact O-N 3.29Å; F8-F11 PolarHBondContact O-N 3.28Å; F8-T12 HydrophobicContact CD1-CG2 4.5Å; F8-T12 HydrophobicContact CE1-CG2 4.06Å; F8-T12 PolarHBondContact O-N 3.22Å; F8-T12 PolarHBondContact O-OG1 2.93Å
9	Y	74.6	Confident	65.1	Low	179 Å²	179	123.2 Å²	123.2	70%	0.702	60%	0.6	S	S	*	*	H	α-helix	trans	-66.9	-42.3	177.6	-148.7	-87.5	0	0	0	112.1	E5 Y6 F11 T12 A13	E5-Y9 PolarHBondContact O-N 3.4Å; E5-Y9 VanDerWaalsContact O-N 3.09Å; Y6-Y9 PolarHBondContact O-N 3.5Å; Y9-F11 VanDerWaalsContact C-N 3.35Å; Y9-F11 PolarHBondContact O-N 2.9Å; Y9-T12 WeakPolarHBondContact CA-OG1 3.35Å; Y9-T12 PolarHBondContact O-N 3.15Å; Y9-T12 PolarHBondContact O-OG1 3.03Å; Y9-T12 VanDerWaalsContact O-OG1 3.13Å; Y9-A13 WeakPolarHBondContact O-CB 3.01Å; Y9-A13 PolarHBondContact O-N 3.34Å
10	M	73.7	Confident	64.2	Low	115 Å²	115	126.6 Å²	126.6	57%	0.567	61%	0.606	S	S	*	*	H	α-helix	trans	-64	-40.4	175.8	-71.3	-64.2	-76	0	0	111.9	Y6 S7 T14	Y6-M10 HydrophobicContact CD1-CG 4.29Å; Y6-M10 WeakPolarHBondContact O-CG 3.07Å; Y6-M10 PolarHBondContact O-N 3.27Å; S7-M10 PolarHBondContact O-N 2.91Å; M10-T14 WeakPolarHBondContact O-CB 3.49Å; M10-T14 PolarHBondContact O-N 3.33Å; M10-T14 PolarHBondContact O-OG1 3.23Å
11	F	72.3	Confident	63.2	Low	137 Å²	137	124.9 Å²	124.9	60%	0.601	60%	0.599	S	S	*	*	H	α-helix	trans	-66.1	-44.7	178.2	-168.4	-108.2	0	0	0	112.1	S7 F8 Y9 T14 I15	S7-F11 WeakPolarHBondContact O-CB 3.26Å; S7-F11 PolarHBondContact O-N 3.06Å; F8-F11 PolarHBondContact O-N 3.28Å; Y9-F11 VanDerWaalsContact C-N 3.35Å; Y9-F11 PolarHBondContact O-N 2.9Å; F11-T14 PolarHBondContact O-N 2.73Å; F11-I15 HydrophobicContact CD1-CD1 3.6Å; F11-I15 HydrophobicContact CE1-CD1 3.27Å; F11-I15 HydrophobicContact CE1-CG1 4.42Å; F11-I15 HydrophobicContact CE2-CD1 4.42Å; F11-I15 HydrophobicContact CG-CD1 4.33Å; F11-I15 HydrophobicContact CZ-CD1 3.73Å; F11-I15 WeakPolarHBondContact O-CG1 2.94Å; F11-I15 PolarHBondContact O-N 3.05Å
12	T	71.3	Confident	62.4	Low	54 Å²	54	119.1 Å²	119.1	33%	0.331	57%	0.573	S	S	.	*	H	α-helix	trans	-65.9	-40.4	177.1	32.1	0	0	0	0	112.5	F8 Y9 I15 L16	F8-T12 HydrophobicContact CD1-CG2 4.5Å; F8-T12 HydrophobicContact CE1-CG2 4.06Å; F8-T12 PolarHBondContact O-N 3.22Å; F8-T12 PolarHBondContact O-OG1 2.93Å; Y9-T12 WeakPolarHBondContact CA-OG1 3.35Å; Y9-T12 PolarHBondContact O-N 3.15Å; Y9-T12 PolarHBondContact O-OG1 3.03Å; Y9-T12 VanDerWaalsContact O-OG1 3.13Å; T12-I15 PolarHBondContact O-N 3.03Å; T12-L16 WeakPolarHBondContact O-CB 3.38Å; T12-L16 PolarHBondContact O-N 3.44Å
13	A	70.1	Confident	61.3	Low	38 Å²	38	117.8 Å²	117.8	31%	0.314	57%	0.567	S	S	.	*	H	α-helix	trans	-62.3	-43.7	175	0	0	0	0	0	112	Y9 L16 I17	Y9-A13 WeakPolarHBondContact O-CB 3.01Å; Y9-A13 PolarHBondContact O-N 3.34Å; A13-L16 PolarHBondContact O-N 3.4Å; A13-I17 WeakPolarHBondContact O-CG1 3.39Å; A13-I17 PolarHBondContact O-N 3.46Å
14	T	70.3	Confident	60.4	Low	71 Å²	71	116.3 Å²	116.3	44%	0.436	56%	0.56	S	S	.	*	H	α-helix	trans	-63.6	-43.5	179.1	-54.1	0	0	0	0	111.6	M10 F11 L16 I17 I18	M10-T14 WeakPolarHBondContact O-CB 3.49Å; M10-T14 PolarHBondContact O-N 3.33Å; M10-T14 PolarHBondContact O-OG1 3.23Å; F11-T14 PolarHBondContact O-N 2.73Å; T14-L16 VanDerWaalsContact C-N 3.35Å; T14-L16 PolarHBondContact O-N 3.11Å; T14-I17 PolarHBondContact O-N 2.91Å; T14-I18 HydrophobicContact CG2-CD1 3.98Å; T14-I18 WeakPolarHBondContact O-CG1 3.16Å; T14-I18 PolarHBondContact O-N 3.38Å
15	I	66.1	Low	59.4	Low	91 Å²	91	109.3 Å²	109.3	47%	0.467	54%	0.539	S	S	.	.	H	α-helix	trans	-62.1	-41.7	175.8	-70.7	170.8	0	0	0	111.4	F11 T12 I17 I18 G19	F11-I15 HydrophobicContact CD1-CD1 3.6Å; F11-I15 HydrophobicContact CE1-CD1 3.27Å; F11-I15 HydrophobicContact CE1-CG1 4.42Å; F11-I15 HydrophobicContact CE2-CD1 4.42Å; F11-I15 HydrophobicContact CG-CD1 4.33Å; F11-I15 HydrophobicContact CZ-CD1 3.73Å; F11-I15 WeakPolarHBondContact O-CG1 2.94Å; F11-I15 PolarHBondContact O-N 3.05Å; T12-I15 PolarHBondContact O-N 3.03Å; I15-I17 VanDerWaalsContact C-N 3.32Å; I15-I17 PolarHBondContact O-N 3.28Å; I15-I18 PolarHBondContact O-N 3.32Å; I15-G19 PolarHBondContact O-N 2.8Å
16	L	63.6	Low	57.7	Low	113 Å²	113	108.8 Å²	108.8	59%	0.592	54%	0.536	S	S	*	.	H	α-helix	trans	-63.3	-36.9	177.4	-93.6	156.6	0	0	0	112.5	T12 A13 T14 R20	T12-L16 WeakPolarHBondContact O-CB 3.38Å; T12-L16 PolarHBondContact O-N 3.44Å; A13-L16 PolarHBondContact O-N 3.4Å; T14-L16 VanDerWaalsContact C-N 3.35Å; T14-L16 PolarHBondContact O-N 3.11Å; L16-R20 WeakPolarHBondContact O-CG 3.04Å; L16-R20 PolarHBondContact O-N 3.34Å; L16-R20 VanDerWaalsContact O-N 3.16Å
17	I	60.3	Low	56.2	Low	102 Å²	102	103 Å²	103	52%	0.523	53%	0.525	S	S	.	.	H	α-helix	trans	-69	-49.3	176.4	-67.5	165.5	0	0	0	110.3	A13 T14 I15 G19 R20 I21	A13-I17 WeakPolarHBondContact O-CG1 3.39Å; A13-I17 PolarHBondContact O-N 3.46Å; T14-I17 PolarHBondContact O-N 2.91Å; I15-I17 VanDerWaalsContact C-N 3.32Å; I15-I17 PolarHBondContact O-N 3.28Å; I17-G19 VanDerWaalsContact C-N 3.33Å; I17-G19 PolarHBondContact O-N 3.04Å; I17-R20 PolarHBondContact O-N 3.03Å; I17-R20 VanDerWaalsContact O-N 3.14Å; I17-I21 HydrophobicContact CG2-CD1 3.94Å; I17-I21 WeakPolarHBondContact O-CG1 3.47Å; I17-I21 PolarHBondContact O-N 3.42Å
18	I	49.7	Very low	54.5	Low	93 Å²	93	103.1 Å²	103.1	48%	0.477	53%	0.526	S	S	.	.	H	α-helix	trans	-60.4	-43.5	178.4	-66	169.4	0	0	0	110.8	T14 I15 R20 I21 N22	T14-I18 HydrophobicContact CG2-CD1 3.98Å; T14-I18 WeakPolarHBondContact O-CG1 3.16Å; T14-I18 PolarHBondContact O-N 3.38Å; I15-I18 PolarHBondContact O-N 3.32Å; I18-R20 VanDerWaalsContact C-N 3.3Å; I18-R20 PolarHBondContact O-N 2.98Å; I18-I21 PolarHBondContact O-N 3.04Å; I18-N22 PolarHBondContact O-N 2.87Å
19	G	45.6	Very low	52.5	Low	38 Å²	38	101.9 Å²	101.9	39%	0.392	52%	0.522	S	S	.	.	H	α-helix	trans	-61.8	-34.4	177	0	0	0	0	0	113.5	I15 I17 K23	I15-G19 PolarHBondContact O-N 2.8Å; I17-G19 VanDerWaalsContact C-N 3.33Å; I17-G19 PolarHBondContact O-N 3.04Å; G19-K23 PolarHBondContact O-N 2.8Å
20	R	47.3	Very low	50.6	Low	191 Å²	191	102.2 Å²	102.2	72%	0.721	53%	0.527	S	S	*	.	H	α-helix	trans	-73.2	-37.5	174.7	-82.3	-178.5	170.7	177.1	0.4	112.7	L16 I17 I18 N24	L16-R20 WeakPolarHBondContact O-CG 3.04Å; L16-R20 PolarHBondContact O-N 3.34Å; L16-R20 VanDerWaalsContact O-N 3.16Å; I17-R20 PolarHBondContact O-N 3.03Å; I17-R20 VanDerWaalsContact O-N 3.14Å; I18-R20 VanDerWaalsContact C-N 3.3Å; I18-R20 PolarHBondContact O-N 2.98Å; R20-N24 PolarHBondContact O-N 3.02Å
21	I	44.1	Very low	48.8	Very low	91 Å²	91	103.5 Å²	103.5	47%	0.467	54%	0.536	S	S	.	.	H	α-helix	trans	-64.2	-46.5	175.4	-66.4	168.3	0	0	0	109.8	I17 I18 K23 N24 I25	I17-I21 HydrophobicContact CG2-CD1 3.94Å; I17-I21 WeakPolarHBondContact O-CG1 3.47Å; I17-I21 PolarHBondContact O-N 3.42Å; I18-I21 PolarHBondContact O-N 3.04Å; I21-K23 PolarHBondContact O-N 3.47Å; I21-N24 PolarHBondContact O-N 3.09Å; I21-N24 VanDerWaalsContact O-N 3.13Å; I21-I25 HydrophobicContact CG2-CD1 3.88Å; I21-I25 HydrophobicContact CG2-CG1 4.46Å; I21-I25 WeakPolarHBondContact O-CG1 3.36Å; I21-I25 PolarHBondContact O-N 3.36Å
22	N	35	Very low	46.8	Very low	93 Å²	93	104.2 Å²	104.2	50%	0.497	54%	0.541	S	S	.	.	H	α-helix	trans	-63.6	-41.6	-179.6	-81	-6.9	0	0	0	113	I18 N24 I25 E26	I18-N22 PolarHBondContact O-N 2.87Å; N22-N24 VanDerWaalsContact C-N 3.26Å; N22-N24 PolarHBondContact O-N 3.3Å; N22-I25 PolarHBondContact O-N 3.08Å; N22-I25 VanDerWaalsContact O-N 3.16Å; N22-E26 PolarHBondContact O-N 3.45Å
23	K	41.8	Very low	44.7	Very low	155 Å²	155	110.5 Å²	110.5	67%	0.674	57%	0.567	S	S	*	*	H	α-helix	trans	-61.8	-33.5	174.5	-88.4	-173.8	176	178.2	0	113	G19 I21 A27	G19-K23 PolarHBondContact O-N 2.8Å; I21-K23 PolarHBondContact O-N 3.47Å; K23-A27 WeakPolarHBondContact O-CB 3.44Å; K23-A27 PolarHBondContact O-N 3.48Å
24	N	40.2	Very low	42.8	Very low	120 Å²	120	113.9 Å²	113.9	64%	0.642	59%	0.588	S	S	*	*	H	α-helix	trans	-73.3	-35.3	175.6	-81.1	-20.2	0	0	0	112.1	R20 I21 N22 A27 S28	R20-N24 PolarHBondContact O-N 3.02Å; I21-N24 PolarHBondContact O-N 3.09Å; I21-N24 VanDerWaalsContact O-N 3.13Å; N22-N24 VanDerWaalsContact C-N 3.26Å; N22-N24 PolarHBondContact O-N 3.3Å; N24-A27 PolarHBondContact O-N 2.88Å; N24-S28 PolarHBondContact O-N 2.75Å
25	I	38.1	Very low	40.7	Very low	77 Å²	77	118.5 Å²	118.5	40%	0.395	60%	0.604	S	S	.	*	H	α-helix	trans	-67.2	-43.8	173.5	-65.1	170.3	0	0	0	110.4	I21 N22 A27 S28 Q29	I21-I25 HydrophobicContact CG2-CD1 3.88Å; I21-I25 HydrophobicContact CG2-CG1 4.46Å; I21-I25 WeakPolarHBondContact O-CG1 3.36Å; I21-I25 PolarHBondContact O-N 3.36Å; N22-I25 PolarHBondContact O-N 3.08Å; N22-I25 VanDerWaalsContact O-N 3.16Å; I25-A27 VanDerWaalsContact C-N 3.34Å; I25-A27 PolarHBondContact O-N 3Å; I25-S28 CarbonylContact O-C 3.58Å; I25-S28 WeakPolarHBondContact O-CA 3.42Å; I25-S28 VanDerWaalsContact O-CB 3.3Å; I25-S28 WeakPolarHBondContact O-CB 3.46Å; I25-S28 PolarHBondContact O-N 3.46Å; I25-Q29 HydrophobicContact CG2-CG 4.21Å; I25-Q29 PolarHBondContact O-N 3.03Å
26	E	33	Very low	38.8	Very low	129 Å²	129	123 Å²	123	60%	0.603	62%	0.623	S	S	*	*	H	α-helix	trans	-60.8	-41.3	174.6	-85.3	-171.9	147.4	0	0	112.1	N22 S28 Q29 K30	N22-E26 PolarHBondContact O-N 3.45Å; E26-S28 PolarHBondContact O-N 3.17Å; E26-Q29 PolarHBondContact O-N 3.42Å; E26-K30 WeakPolarHBondContact O-CB 3.3Å; E26-K30 PolarHBondContact O-N 3.3Å
27	A	39.7	Very low	37.1	Very low	57 Å²	57	127.1 Å²	127.1	47%	0.471	64%	0.636	S	S	.	*	H	α-helix	trans	-64.9	-27.5	174.7	0	0	0	0	0	112.6	K23 N24 I25 N31	K23-A27 WeakPolarHBondContact O-CB 3.44Å; K23-A27 PolarHBondContact O-N 3.48Å; N24-A27 PolarHBondContact O-N 2.88Å; I25-A27 VanDerWaalsContact C-N 3.34Å; I25-A27 PolarHBondContact O-N 3Å; A27-N31 PolarHBondContact O-ND2 2.96Å
28	S	32.7	Very low	35.6	Very low	77 Å²	77	131.4 Å²	131.4	54%	0.538	65%	0.651	S	S	.	*	H	α-helix	trans	-76.7	-44.9	173.2	-167.8	0	0	0	0	111.8	N24 I25 E26 N31	N24-S28 PolarHBondContact O-N 2.75Å; I25-S28 CarbonylContact O-C 3.58Å; I25-S28 WeakPolarHBondContact O-CA 3.42Å; I25-S28 VanDerWaalsContact O-CB 3.3Å; I25-S28 WeakPolarHBondContact O-CB 3.46Å; I25-S28 PolarHBondContact O-N 3.46Å; E26-S28 PolarHBondContact O-N 3.17Å; S28-N31 PolarHBondContact O-N 3.37Å
29	Q	32.5	Very low	34.4	Very low	118 Å²	118	136.8 Å²	136.8	55%	0.551	67%	0.674	S	S	*	*	H	α-helix	trans	-72.6	-34.7	-177.5	-74.3	-175.2	-9.6	0	0	113.3	I25 E26 N31 Q32	I25-Q29 HydrophobicContact CG2-CG 4.21Å; I25-Q29 PolarHBondContact O-N 3.03Å; E26-Q29 PolarHBondContact O-N 3.42Å; Q29-N31 PolarHBondContact O-N 3.41Å; Q29-Q32 PolarHBondContact O-N 3.36Å
30	K	35.1	Very low	33.5	Very low	187 Å²	187	140.5 Å²	140.5	81%	0.813	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.6	-17	173.8	-113.9	179.1	-179.4	174.3	0	113.3	E26	E26-K30 WeakPolarHBondContact O-CB 3.3Å; E26-K30 PolarHBondContact O-N 3.3Å
31	N	36.4	Very low	32.5	Very low	142 Å²	142	138.9 Å²	138.9	76%	0.759	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.2	-9.3	173.3	-76.6	-55.6	0	0	0	114	A27 S28 Q29	A27-N31 PolarHBondContact O-ND2 2.96Å; S28-N31 PolarHBondContact O-N 3.37Å; Q29-N31 PolarHBondContact O-N 3.41Å
32	Q	30.3	Very low	31.8	Very low	151 Å²	151	139.8 Å²	139.8	71%	0.706	71%	0.709	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98	-14.4	179.4	-73.9	-167.3	-29.1	0	0	114.4	Q29 S34	Q29-Q32 PolarHBondContact O-N 3.36Å; Q32-S34 PolarHBondContact O-N 3.16Å
33	H	27.4	Very low	31.4	Very low	186 Å²	186	143.1 Å²	143.1	86%	0.861	72%	0.721	S	S	*	*			trans	-98.2	28	-174.4	-96.9	-40.9	0	0	0	116.5
34	S	29	Very low	30.7	Very low	109 Å²	109	140.7 Å²	140.7	76%	0.762	72%	0.722	S	S	*	*			trans	-118.2	66.8	166.7	-172.1	0	0	0	0	110.5	Q32	Q32-S34 PolarHBondContact O-N 3.16Å
35	H	27.1	Very low	30.2	Very low	169 Å²	169	137.6 Å²	137.6	78%	0.782	71%	0.708	S	S	*	*			trans	-131.4	59.5	165.7	-93.8	-67	0	0	0	108.4
36	E	26.7	Very low	30	Very low	184 Å²	184	139 Å²	139	86%	0.86	72%	0.715	S	S	*	*			trans	-116.9	113.7	170.9	-150	172.3	-166.7	0	0	110.7	K38	E36-K38 PolarHBondContact O-N 2.97Å
37	K	27.7	Very low	29.7	Very low	200 Å²	200	140.7 Å²	140.7	87%	0.87	72%	0.717	S	S	*	*			trans	-10.5	98	169.8	-69.3	170.2	174.5	173.6	0	116
38	K	27.2	Very low	29.9	Very low	192 Å²	192	139.6 Å²	139.6	84%	0.835	71%	0.711	S	S	*	*			trans	-137	109.8	142.2	-78.6	-167.6	176.8	175.6	0	109.7	E36 V40	E36-K38 PolarHBondContact O-N 2.97Å; K38-V40 VanDerWaalsContact C-N 3.27Å; K38-V40 HydrophobicContact CB-CG2 4.25Å; K38-V40 PolarHBondContact O-N 3.32Å
39	H	24.9	Very low	30.4	Very low	207 Å²	207	142.5 Å²	142.5	96%	0.958	72%	0.717	S	S	*	*			trans	-56.9	91.9	162	-103.2	-97.8	0	0	0	108.1
40	V	27.8	Very low	31.4	Very low	116 Å²	116	142.9 Å²	142.9	70%	0.703	71%	0.713	S	S	*	*			trans	-131.8	113.7	167.2	-176.3	0	0	0	0	107.1	K38	K38-V40 VanDerWaalsContact C-N 3.27Å; K38-V40 HydrophobicContact CB-CG2 4.25Å; K38-V40 PolarHBondContact O-N 3.32Å
41	N	26.5	Very low	32.3	Very low	156 Å²	156	138.7 Å²	138.7	83%	0.834	70%	0.699	S	S	*	*	S	Bend	trans	-45.3	138.8	173.8	-91.5	-36.3	0	0	0	111.5
42	S	27.8	Very low	33.2	Very low	110 Å²	110	133 Å²	133	77%	0.769	67%	0.674	S	S	*	*			trans	60.9	89.7	175.6	58.2	0	0	0	0	116.1
43	Q	27.5	Very low	34.3	Very low	163 Å²	163	129.1 Å²	129.1	76%	0.762	66%	0.664	S	S	*	*	P	Polyproline II helix	trans	-55.4	126.6	163.4	-81.3	-177.2	-22.7	0	0	110.2
44	P	27.1	Very low	35.7	Very low	105 Å²	105	123.4 Å²	123.4	68%	0.682	64%	0.639	S	S	*	*	P	Polyproline II helix	trans	-67.1	147.3	176.4	24.8	-30.8	0	0	0	111.1	I46	P44-I46 PolarHBondContact O-N 3.13Å
45	P	30.2	Very low	37.1	Very low	54 Å²	54	125.3 Å²	125.3	35%	0.351	63%	0.634	S	S	.	*	P	Polyproline II helix	trans	-52.2	127.1	178	16.1	-30.2	0	0	0	113	Y47 P84	P45-Y47 VanDerWaalsContact C-N 3.35Å; P45-Y47 HydrophobicContact CB-CD2 3.99Å; P45-Y47 HydrophobicContact CB-CE2 3.6Å; P45-Y47 HydrophobicContact CG-CD2 4.08Å; P45-Y47 HydrophobicContact CG-CE2 3.45Å; P45-Y47 VanDerWaalsContact CG-CE2 3.45Å; P45-Y47 WeakPolarHBondContact O-CD2 3.22Å; P45-Y47 PolarHBondContact O-N 3.27Å; P45-P84 HydrophobicContact CB-CB 3.95Å
46	I	32.5	Very low	38.3	Very low	107 Å²	107	120.1 Å²	120.1	55%	0.549	63%	0.626	S	S	.	*			trans	-72.2	89.3	173.3	-54.6	175.2	0	0	0	108.7	P44	P44-I46 PolarHBondContact O-N 3.13Å
47	Y	27.9	Very low	39.8	Very low	164 Å²	164	114.4 Å²	114.4	64%	0.643	60%	0.601	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-83	126.3	164	-68.4	-82.1	0	0	0	108.9	P45 S87	P45-Y47 VanDerWaalsContact C-N 3.35Å; P45-Y47 HydrophobicContact CB-CD2 3.99Å; P45-Y47 HydrophobicContact CB-CE2 3.6Å; P45-Y47 HydrophobicContact CG-CD2 4.08Å; P45-Y47 HydrophobicContact CG-CE2 3.45Å; P45-Y47 VanDerWaalsContact CG-CE2 3.45Å; P45-Y47 WeakPolarHBondContact O-CD2 3.22Å; P45-Y47 PolarHBondContact O-N 3.27Å; Y47-S87 WeakPolarHBondContact CD1-OG 3.28Å; Y47-S87 WeakPolarHBondContact CE1-OG 3.17Å
48	G	43	Very low	40.9	Very low	34 Å²	34	109.1 Å²	109.1	35%	0.351	59%	0.59	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-146.3	128.2	179.2	0	0	0	0	0	113.8	G88 R89	G48-G88 VanDerWaalsContact O-CA 3.26Å; G48-G88 WeakPolarHBondContact O-CA 3.15Å; G48-R89 PolarHBondContact O-N 3.45Å
49	Q	43.6	Very low	42.2	Very low	139 Å²	139	100.6 Å²	100.6	65%	0.65	56%	0.556	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-84.5	118.7	160.7	-60.2	-170.4	12.9	0	0	107.7	R89	Q49-R89 WeakPolarHBondContact CA-O 3.46Å; Q49-R89 HydrophobicContact CG-CB 4.45Å
50	R	54.2	Low	43.4	Very low	126 Å²	126	98.3 Å²	98.3	48%	0.475	55%	0.546	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	107.2	172.4	-65.8	-171.6	-179.5	-154.9	-7	107.9	N70 T71 R89 R90 N91	R50-N70 HydrophobicContact CB-CB 4.4Å; R50-T71 PolarHBondContact NH1-O 3.3Å; R50-R89 PolarHBondContact N-O 3.03Å; R50-R90 WeakPolarHBondContact O-CA 3.39Å; R50-N91 PolarHBondContact O-N 3.21Å
51	N	52.7	Low	44.5	Very low	98 Å²	98	97.1 Å²	97.1	52%	0.524	54%	0.535	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	130.6	175.7	-62.4	-32.4	0	0	0	107.6	N91	N51-N91 VanDerWaalsContact CA-O 3.3Å; N51-N91 WeakPolarHBondContact CA-O 3.25Å; N51-N91 WeakPolarHBondContact OD1-CB 3.28Å; N51-N91 PolarHBondContact OD1-ND2 2.95Å
52	G	55.3	Low	45.5	Very low	23 Å²	23	92.8 Å²	92.8	24%	0.237	53%	0.528	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	137.6	178.5	0	0	0	0	0	110.8	N70 N91 G92 S93	G52-N70 PolarHBondContact N-ND2 3.04Å; G52-N91 PolarHBondContact N-O 2.79Å; G52-G92 VanDerWaalsContact O-CA 3.29Å; G52-G92 WeakPolarHBondContact O-CA 3.23Å; G52-S93 PolarHBondContact O-N 3.06Å; G52-S93 VanDerWaalsContact O-N 3.08Å
53	S	54.9	Low	46.7	Very low	70 Å²	70	95 Å²	95	49%	0.49	53%	0.526	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	128.1	174.1	178.5	0	0	0	0	108.8	S93	S53-S93 CarbonylContact C-O 3.58Å; S53-S93 WeakPolarHBondContact CA-O 3.46Å; S53-S93 WeakPolarHBondContact CB-OG 3.3Å; S53-S93 PolarHBondContact OG-OG 3.36Å
54	L	55.9	Low	47.9	Very low	65 Å²	65	89.3 Å²	89.3	34%	0.34	51%	0.511	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	135.5	174.6	-75.8	173.7	0	0	0	108.6	I67 L69 S93 L94 S95	L54-I67 HydrophobicContact CD1-CG2 4.22Å; L54-L69 HydrophobicContact CD1-CD1 3.93Å; L54-L69 HydrophobicContact CG-CD1 4.18Å; L54-S93 PolarHBondContact N-O 3.27Å; L54-L94 HydrophobicContact CB-CD1 3.46Å; L54-L94 VanDerWaalsContact CB-CD1 3.46Å; L54-L94 HydrophobicContact CD1-CD1 4.34Å; L54-L94 VanDerWaalsContact O-CA 3.31Å; L54-L94 WeakPolarHBondContact O-CA 3.4Å; L54-S95 PolarHBondContact O-N 3.22Å
55	K	58.8	Low	49.2	Very low	149 Å²	149	85.7 Å²	85.7	65%	0.648	49%	0.485	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-139.5	146.5	179.8	-60.6	-164.2	172.3	-178.6	0	111.6	S95	K55-S95 CarbonylContact C-O 3.51Å; K55-S95 WeakPolarHBondContact CA-O 3.28Å; K55-S95 WeakPolarHBondContact CG-OG 3.15Å
56	G	52.1	Low	50.6	Low	60 Å²	60	90.9 Å²	90.9	62%	0.619	50%	0.499	S	S	*	.	E	Extended strand (participates in β ladder)	trans	70.7	51	165.2	0	0	0	0	0	114	S95 G96	G56-S95 PolarHBondContact N-O 2.68Å; G56-S95 VanDerWaalsContact N-O 3.07Å; G56-G96 CarbonylContact C-O 3.59Å; G56-G96 WeakPolarHBondContact CA-O 3.19Å; G56-G96 PolarHBondContact N-O 2.99Å
57	L	58.6	Low	51.8	Low	64 Å²	64	86.4 Å²	86.4	34%	0.335	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	119	172.9	-48.1	167.5	0	0	0	108.3	I67 G96 L97 S98	L57-I67 HydrophobicContact CD1-CD1 3.68Å; L57-I67 HydrophobicContact CD1-CG1 4.21Å; L57-G96 PolarHBondContact N-O 2.81Å; L57-G96 VanDerWaalsContact N-O 3.15Å; L57-L97 HydrophobicContact CB-CD2 3.48Å; L57-L97 VanDerWaalsContact CB-CD2 3.48Å; L57-L97 HydrophobicContact CD1-CD2 3.75Å; L57-L97 HydrophobicContact CG-CD2 3.78Å; L57-L97 VanDerWaalsContact O-CA 3.24Å; L57-L97 WeakPolarHBondContact O-CA 3Å; L57-S98 PolarHBondContact O-N 3.35Å; L57-S98 VanDerWaalsContact O-N 3.16Å
58	S	51	Low	53.2	Low	90 Å²	90	82.4 Å²	82.4	63%	0.629	47%	0.469	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.2	145.4	169.4	52.2	0	0	0	0	109.7	S98	S58-S98 CarbonylContact C-O 3.59Å; S58-S98 VanDerWaalsContact CA-O 3.31Å; S58-S98 WeakPolarHBondContact CA-O 3.15Å; S58-S98 WeakPolarHBondContact CB-OG 3.48Å
59	G	53.2	Low	54	Low	12 Å²	12	81.5 Å²	81.5	12%	0.124	46%	0.456	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	136.1	170	0	0	0	0	0	110.4	M65 S98 E100 Q103	G59-M65 VanDerWaalsContact CA-CE 3.42Å; G59-S98 PolarHBondContact N-O 2.74Å; G59-E100 PolarHBondContact O-N 3.4Å; G59-Q103 PolarHBondContact O-NE2 2.91Å
60	E	51.7	Low	54.8	Low	160 Å²	160	76 Å²	76	75%	0.748	43%	0.431	S	S	*	.			trans	-94.1	154.9	172.5	-66.7	178.2	-174	0	0	111.3	Q103	E60-Q103 PolarHBondContact O-NE2 3Å
61	N	50.4	Low	54.8	Low	91 Å²	91	71.1 Å²	71.1	49%	0.487	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-34.9	133.4	-171.1	-72.3	-39.3	0	0	0	116.5	Q63 N101	N61-Q63 PolarHBondContact O-N 3.24Å; N61-N101 WeakPolarHBondContact OD1-CB 3.18Å; N61-N101 PolarHBondContact OD1-N 3.13Å; N61-N101 VanDerWaalsContact OD1-N 3.08Å; N61-N101 PolarHBondContact OD1-O 3.16Å
62	G	47.7	Very low	54.8	Low	65 Å²	65	67.5 Å²	67.5	67%	0.67	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.8	-4.7	162.8	0	0	0	0	0	117.7
63	Q	51.6	Low	54.4	Low	155 Å²	155	72.9 Å²	72.9	72%	0.724	42%	0.417	S	S	*	.			trans	-102.6	139.9	178.1	-64.6	-170.9	1.4	0	0	113.2	N61	N61-Q63 PolarHBondContact O-N 3.24Å
64	G	52.5	Low	53.6	Low	44 Å²	44	74.4 Å²	74.4	45%	0.454	42%	0.416	S	S	.	.			trans	-74.6	123.8	174.7	0	0	0	0	0	111.5	V104	G64-V104 CarbonylContact C-O 3.58Å; G64-V104 VanDerWaalsContact CA-O 3.28Å; G64-V104 WeakPolarHBondContact CA-O 3.15Å
65	M	56.3	Low	52.6	Low	30 Å²	30	76.1 Å²	76.1	15%	0.148	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	115.6	-179.8	-170.1	-172.3	-68.8	0	0	110.4	G59 I67 V104 I105 Y106	G59-M65 VanDerWaalsContact CA-CE 3.42Å; M65-I67 HydrophobicContact CG-CD1 4.1Å; M65-I67 HydrophobicContact CG-CG1 4.04Å; M65-I67 HydrophobicContact SD-CD1 3.56Å; M65-I67 VanDerWaalsContact SD-CD1 3.56Å; M65-I67 HydrophobicContact SD-CG1 4.17Å; M65-V104 PolarHBondContact N-O 3.11Å; M65-I105 HydrophobicContact CB-CG1 4.28Å; M65-I105 HydrophobicContact CB-CG2 4.42Å; M65-I105 CarbonylContact O-C 3.52Å; M65-I105 WeakPolarHBondContact O-CA 3.23Å; M65-Y106 PolarHBondContact O-N 3.12Å
66	Y	58.5	Low	51.4	Low	163 Å²	163	71.4 Å²	71.4	64%	0.639	41%	0.411	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.7	104.5	178.4	-64.7	-94.6	0	0	0	110.6	Y106	Y66-Y106 AromaticContact CD1-CD2 3.65Å; Y66-Y106 HydrophobicContact CD1-CD2 3.65Å; Y66-Y106 AromaticContact CD1-CG 3.92Å; Y66-Y106 HydrophobicContact CD1-CG 3.92Å; Y66-Y106 AromaticContact CE1-CD2 3.14Å; Y66-Y106 HydrophobicContact CE1-CD2 3.14Å; Y66-Y106 AromaticContact CE1-CE2 3.63Å; Y66-Y106 HydrophobicContact CE1-CE2 3.63Å; Y66-Y106 AromaticContact CE1-CG 3.74Å; Y66-Y106 HydrophobicContact CE1-CG 3.74Å; Y66-Y106 HydrophobicContact CE2-CD2 4.45Å; Y66-Y106 HydrophobicContact CG-CD2 4.47Å; Y66-Y106 AromaticContact CZ-CD2 3.61Å; Y66-Y106 AromaticContact CZ-CE2 3.81Å
67	I	58.2	Low	50.3	Low	12 Å²	12	76.4 Å²	76.4	6%	0.062	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	112.3	178.6	-59.9	170.4	0	0	0	109.4	L54 L57 M65 L94 L97 Y106 I107 T108	L54-I67 HydrophobicContact CD1-CG2 4.22Å; L57-I67 HydrophobicContact CD1-CD1 3.68Å; L57-I67 HydrophobicContact CD1-CG1 4.21Å; M65-I67 HydrophobicContact CG-CD1 4.1Å; M65-I67 HydrophobicContact CG-CG1 4.04Å; M65-I67 HydrophobicContact SD-CD1 3.56Å; M65-I67 VanDerWaalsContact SD-CD1 3.56Å; M65-I67 HydrophobicContact SD-CG1 4.17Å; I67-L94 HydrophobicContact CG2-CD1 4.27Å; I67-L94 HydrophobicContact CG2-CD2 3.92Å; I67-L97 HydrophobicContact CD1-CD1 3.51Å; I67-L97 HydrophobicContact CD1-CD2 3.89Å; I67-L97 HydrophobicContact CD1-CG 4.39Å; I67-Y106 PolarHBondContact N-O 3.44Å; I67-I107 HydrophobicContact CB-CG1 4.23Å; I67-I107 HydrophobicContact CD1-CG1 4.32Å; I67-I107 CarbonylContact O-C 3.56Å; I67-I107 WeakPolarHBondContact O-CA 3.5Å; I67-T108 PolarHBondContact O-N 3.42Å
68	T	57.2	Low	48.8	Very low	81 Å²	81	79.2 Å²	79.2	50%	0.497	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	110.2	177.4	-63.5	0	0	0	0	109.7	T71 T108	T68-T71 HydrophobicContact CG2-CG2 3.44Å; T68-T71 VanDerWaalsContact CG2-CG2 3.44Å; T68-T71 WeakPolarHBondContact CG2-OG1 3.17Å; T68-T108 WeakPolarHBondContact CA-O 3.46Å
69	L	59.5	Low	47.8	Very low	15 Å²	15	82.3 Å²	82.3	8%	0.079	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	127.1	-179	-175.4	67.1	0	0	0	110.7	L54 T71 T108 M109 N110	L54-L69 HydrophobicContact CD1-CD1 3.93Å; L54-L69 HydrophobicContact CG-CD1 4.18Å; L69-T71 PolarHBondContact O-N 3.31Å; L69-T108 PolarHBondContact N-O 2.89Å; L69-M109 HydrophobicContact CB-CG 4.11Å; L69-M109 HydrophobicContact CD2-SD 3.95Å; L69-M109 WeakPolarHBondContact O-CA 3.26Å; L69-N110 PolarHBondContact O-N 2.88Å
70	N	59.9	Low	47.2	Very low	23 Å²	23	85 Å²	85	12%	0.123	45%	0.449	C	S	.	.	S	Bend	trans	53.7	35	175.6	-64.1	-33.3	0	0	0	113.9	R50 G52 R90 N91 N110	R50-N70 HydrophobicContact CB-CB 4.4Å; G52-N70 PolarHBondContact N-ND2 3.04Å; N70-R90 WeakPolarHBondContact O-CD 3.36Å; N70-R90 PolarHBondContact O-NH1 3.26Å; N70-N91 PolarHBondContact ND2-O 2.95Å; N70-N110 WeakPolarHBondContact CB-OD1 3.35Å; N70-N110 PolarHBondContact ND2-OD1 2.92Å
71	T	53.9	Low	46.5	Very low	23 Å²	23	84 Å²	84	14%	0.141	44%	0.442	C	S	.	.			trans	-84.7	162.5	171	64.9	0	0	0	0	110.8	R50 T68 L69 T108 S111	R50-T71 PolarHBondContact NH1-O 3.3Å; T68-T71 HydrophobicContact CG2-CG2 3.44Å; T68-T71 VanDerWaalsContact CG2-CG2 3.44Å; T68-T71 WeakPolarHBondContact CG2-OG1 3.17Å; L69-T71 PolarHBondContact O-N 3.31Å; T71-T108 HydrophobicContact CG2-CG2 3.61Å; T71-S111 VanDerWaalsContact CA-O 3.25Å; T71-S111 WeakPolarHBondContact CA-O 3.26Å
72	S	54.4	Low	45.8	Very low	23 Å²	23	87.7 Å²	87.7	16%	0.161	45%	0.454	C	S	.	.	B	Isolated β-bridge	trans	-133.1	106	164	61.4	0	0	0	0	106	R90 S111 S112	S72-R90 VanDerWaalsContact CB-NH2 3.28Å; S72-R90 PolarHBondContact OG-NH2 3.21Å; S72-S111 PolarHBondContact N-O 3.06Å; S72-S112 WeakPolarHBondContact OG-CB 3.35Å
73	E	46.1	Very low	45.4	Very low	136 Å²	136	86 Å²	86	64%	0.636	43%	0.431	S	S	*	.			trans	-95.6	114.7	162.5	-66.6	-176.5	-176.1	0	0	105.3
74	H	38.6	Very low	44.6	Very low	101 Å²	101	80.5 Å²	80.5	47%	0.468	41%	0.409	S	S	.	.			trans	-104.8	102.9	164.8	-120.5	-65	0	0	0	105.4	S76	H74-S76 PolarHBondContact O-N 2.89Å
75	N	35.4	Very low	44	Very low	102 Å²	102	81.3 Å²	81.3	55%	0.545	41%	0.407	S	S	.	.			trans	-83.5	75.3	158.1	-70.7	-13.3	0	0	0	106.1	H77	N75-H77 PolarHBondContact O-N 2.96Å
76	S	32.4	Very low	43.2	Very low	50 Å²	50	82.4 Å²	82.4	35%	0.35	41%	0.413	S	S	.	.			trans	-85.2	107.2	179.7	57.2	0	0	0	0	110	H74 H78	H74-S76 PolarHBondContact O-N 2.89Å; S76-H78 PolarHBondContact O-N 2.9Å
77	H	29.1	Very low	42.5	Very low	164 Å²	164	75.9 Å²	75.9	76%	0.759	39%	0.391	S	S	*	.			trans	-78	32.5	166.4	-71.3	-80.3	0	0	0	112.6	N75	N75-H77 PolarHBondContact O-N 2.96Å
78	H	28.2	Very low	42	Very low	123 Å²	123	76.5 Å²	76.5	57%	0.569	40%	0.4	S	S	*	.			trans	-117.1	123.4	-172.8	-71.6	-65.4	0	0	0	112.3	S76 P80	S76-H78 PolarHBondContact O-N 2.9Å; H78-P80 WeakPolarHBondContact O-CD 3.17Å
79	H	29.7	Very low	41.7	Very low	156 Å²	156	79.2 Å²	79.2	72%	0.722	40%	0.401	S	S	*	.			trans	-67.5	105.8	157.2	-80.9	-69.2	0	0	0	108.6
80	P	39	Very low	41.7	Very low	69 Å²	69	80.1 Å²	80.1	45%	0.448	40%	0.403	S	S	.	.				-135.8	146.6	125.1	32.5	-18.9	0	0	0	111.2	H78 F82	H78-P80 WeakPolarHBondContact O-CD 3.17Å; P80-F82 PolarHBondContact O-N 3Å
81	F	38	Very low	41.5	Very low	138 Å²	138	81.5 Å²	81.5	61%	0.605	41%	0.411	S	S	*	.	S	Bend	trans	-62.8	-11.5	-170.2	-87	-89.1	0	0	0	115.4
82	F	36.5	Very low	41.8	Very low	168 Å²	168	80.7 Å²	80.7	74%	0.737	41%	0.407	S	S	*	.			trans	-149.8	94.9	174.7	-60.7	-79.5	0	0	0	111.4	P80	P80-F82 PolarHBondContact O-N 3Å
83	P	38.5	Very low	42.1	Very low	29 Å²	29	81.6 Å²	81.6	19%	0.188	41%	0.413	C	S	.	.	P	Polyproline II helix	trans	-63.3	142.9	168	27.7	-37.1	0	0	0	110.7	F121 S122 P124	P83-F121 HydrophobicContact CB-CZ 4.22Å; P83-F121 HydrophobicContact CG-CE1 3.83Å; P83-F121 HydrophobicContact CG-CE2 4.28Å; P83-F121 HydrophobicContact CG-CZ 3.5Å; P83-F121 VanDerWaalsContact CG-CZ 3.5Å; P83-S122 WeakPolarHBondContact CD-O 3.26Å; P83-P124 HydrophobicContact CB-CB 4.12Å; P83-P124 HydrophobicContact CB-CG 4.02Å; P83-P124 HydrophobicContact CG-CB 3.94Å; P83-P124 VanDerWaalsContact CG-CD 3.41Å; P83-P124 HydrophobicContact CG-CG 3.88Å; P83-P124 WeakPolarHBondContact O-CB 3.41Å
84	P	35.1	Very low	42.7	Very low	41 Å²	41	75.2 Å²	75.2	27%	0.266	38%	0.383	S	S	.	.	P	Polyproline II helix	trans	-65.2	151.6	179.6	24	-31.8	0	0	0	112	P45 L86 P124	P45-P84 HydrophobicContact CB-CB 3.95Å; P84-L86 PolarHBondContact O-N 2.62Å; P84-L86 VanDerWaalsContact O-N 3.15Å; P84-P124 WeakPolarHBondContact O-CB 3.37Å
85	P	39.8	Very low	44	Very low	61 Å²	61	71.4 Å²	71.4	40%	0.396	37%	0.369	S	S	.	.	P	Polyproline II helix	trans	-53.6	120.7	177.1	-22	31.3	0	0	0	111.5	S87	P85-S87 PolarHBondContact O-N 3.01Å
86	L	39.5	Very low	44.8	Very low	52 Å²	52	68.4 Å²	68.4	27%	0.272	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	108.3	172.3	-65.3	174.4	0	0	0	107.6	P84 P124 P125 L126 S127	P84-L86 PolarHBondContact O-N 2.62Å; P84-L86 VanDerWaalsContact O-N 3.15Å; L86-P124 HydrophobicContact CD1-CG 4.05Å; L86-P124 HydrophobicContact CG-CG 4.01Å; L86-P125 PolarHBondContact N-O 3.08Å; L86-L126 HydrophobicContact CB-CD2 3.67Å; L86-L126 HydrophobicContact CD1-CD2 3.68Å; L86-L126 HydrophobicContact CG-CD2 4.18Å; L86-S127 PolarHBondContact O-N 3.47Å; L86-S127 VanDerWaalsContact O-N 3.08Å
87	S	43	Very low	46.2	Very low	27 Å²	27	66.3 Å²	66.3	19%	0.189	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	136.3	174.6	85.4	0	0	0	0	113.1	Y47 P85 S127	Y47-S87 WeakPolarHBondContact CD1-OG 3.28Å; Y47-S87 WeakPolarHBondContact CE1-OG 3.17Å; P85-S87 PolarHBondContact O-N 3.01Å; S87-S127 WeakPolarHBondContact CA-O 3.16Å; S87-S127 VanDerWaalsContact CB-OG 3.26Å; S87-S127 WeakPolarHBondContact CB-OG 3.21Å
88	G	47.6	Very low	47.5	Very low	24 Å²	24	60.9 Å²	60.9	25%	0.247	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-168	155.6	-174.9	0	0	0	0	0	114.2	G48 S127 G128 R129	G48-G88 VanDerWaalsContact O-CA 3.26Å; G48-G88 WeakPolarHBondContact O-CA 3.15Å; G88-S127 PolarHBondContact N-O 2.73Å; G88-G128 VanDerWaalsContact O-CA 3.26Å; G88-G128 WeakPolarHBondContact O-CA 3.31Å; G88-R129 PolarHBondContact O-N 2.8Å
89	R	52.6	Low	48.7	Very low	139 Å²	139	55.1 Å²	55.1	53%	0.525	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	125.2	167.5	-65.8	-175.2	179.9	-169.1	3.7	107.7	G48 Q49 R50 R129	G48-R89 PolarHBondContact O-N 3.45Å; Q49-R89 WeakPolarHBondContact CA-O 3.46Å; Q49-R89 HydrophobicContact CG-CB 4.45Å; R50-R89 PolarHBondContact N-O 3.03Å; R89-R129 CarbonylContact C-O 3.55Å; R89-R129 WeakPolarHBondContact CA-O 3.3Å; R89-R129 HydrophobicContact CG-CB 4.38Å
90	R	58.3	Low	49.9	Very low	33 Å²	33	51.7 Å²	51.7	13%	0.125	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	117.4	174.8	-58.7	-171.9	-176.4	-170.3	5.3	108.9	R50 N70 S72 N110 S111 R129 R130 N131	R50-R90 WeakPolarHBondContact O-CA 3.39Å; N70-R90 WeakPolarHBondContact O-CD 3.36Å; N70-R90 PolarHBondContact O-NH1 3.26Å; S72-R90 VanDerWaalsContact CB-NH2 3.28Å; S72-R90 PolarHBondContact OG-NH2 3.21Å; R90-N110 HydrophobicContact CB-CB 4.2Å; R90-S111 PolarHBondContact NH1-O 2.98Å; R90-R129 PolarHBondContact N-O 3.34Å; R90-R130 HydrophobicContact CB-CG 4.47Å; R90-R130 CarbonylContact O-C 3.53Å; R90-R130 WeakPolarHBondContact O-CA 3.35Å; R90-N131 PolarHBondContact O-N 3.39Å
91	N	55.9	Low	50.7	Low	53 Å²	53	51.5 Å²	51.5	28%	0.283	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	118.4	174	-54.4	-51.3	0	0	0	108	R50 N51 G52 N70 N131	R50-N91 PolarHBondContact O-N 3.21Å; N51-N91 VanDerWaalsContact CA-O 3.3Å; N51-N91 WeakPolarHBondContact CA-O 3.25Å; N51-N91 WeakPolarHBondContact OD1-CB 3.28Å; N51-N91 PolarHBondContact OD1-ND2 2.95Å; G52-N91 PolarHBondContact N-O 2.79Å; N70-N91 PolarHBondContact ND2-O 2.95Å; N91-N131 VanDerWaalsContact CA-O 3.26Å; N91-N131 WeakPolarHBondContact CA-O 3.45Å; N91-N131 WeakPolarHBondContact OD1-CB 3.35Å; N91-N131 PolarHBondContact OD1-ND2 3.42Å
92	G	60.4	Low	51.2	Low	5 Å²	5	47.3 Å²	47.3	5%	0.052	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	129.3	-179.2	0	0	0	0	0	110.2	G52 N131 G132 T133	G52-G92 VanDerWaalsContact O-CA 3.29Å; G52-G92 WeakPolarHBondContact O-CA 3.23Å; G92-N131 PolarHBondContact N-O 3.47Å; G92-G132 CarbonylContact O-C 3.58Å; G92-G132 VanDerWaalsContact O-CA 3.31Å; G92-G132 WeakPolarHBondContact O-CA 3.32Å; G92-T133 PolarHBondContact O-N 3.17Å
93	S	61.2	Low	52.3	Low	43 Å²	43	39.4 Å²	39.4	30%	0.301	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	127.7	165	53.4	0	0	0	0	110.1	G52 S53 L54 T133	G52-S93 PolarHBondContact O-N 3.06Å; G52-S93 VanDerWaalsContact O-N 3.08Å; S53-S93 CarbonylContact C-O 3.58Å; S53-S93 WeakPolarHBondContact CA-O 3.46Å; S53-S93 WeakPolarHBondContact CB-OG 3.3Å; S53-S93 PolarHBondContact OG-OG 3.36Å; L54-S93 PolarHBondContact N-O 3.27Å; S93-T133 CarbonylContact C-O 3.16Å; S93-T133 VanDerWaalsContact CA-O 3.28Å; S93-T133 WeakPolarHBondContact CA-O 3.28Å
94	L	57.8	Low	53.2	Low	1 Å²	1	40.4 Å²	40.4	1%	0.005	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	127.4	174.7	179.2	66.1	0	0	0	107.5	L54 I67 L97 I107 M109 T133 L134 S135	L54-L94 HydrophobicContact CB-CD1 3.46Å; L54-L94 VanDerWaalsContact CB-CD1 3.46Å; L54-L94 HydrophobicContact CD1-CD1 4.34Å; L54-L94 VanDerWaalsContact O-CA 3.31Å; L54-L94 WeakPolarHBondContact O-CA 3.4Å; I67-L94 HydrophobicContact CG2-CD1 4.27Å; I67-L94 HydrophobicContact CG2-CD2 3.92Å; L94-L97 HydrophobicContact CD1-CD1 4.09Å; L94-L97 HydrophobicContact CD1-CD2 3.99Å; L94-L97 HydrophobicContact CD1-CG 4.36Å; L94-L97 HydrophobicContact CD2-CD1 3.69Å; L94-L97 HydrophobicContact CG-CD1 3.82Å; L94-L97 HydrophobicContact CG-CD2 4.47Å; L94-L97 HydrophobicContact CG-CG 4.31Å; L94-I107 HydrophobicContact CD2-CD1 4.44Å; L94-I107 HydrophobicContact CD2-CG1 4.39Å; L94-I107 HydrophobicContact CD2-CG2 3.56Å; L94-M109 HydrophobicContact CB-CE 4.03Å; L94-M109 HydrophobicContact CB-SD 3.33Å; L94-M109 WeakPolarHBondContact CB-SD 3.16Å; L94-M109 HydrophobicContact CD2-CE 4.47Å; L94-M109 HydrophobicContact CD2-CG 4.26Å; L94-M109 HydrophobicContact CD2-SD 3.78Å; L94-M109 HydrophobicContact CG-SD 4.22Å; L94-T133 PolarHBondContact N-O 3.34Å; L94-L134 HydrophobicContact CB-CD1 3.64Å; L94-L134 HydrophobicContact CD2-CD1 3.59Å; L94-L134 HydrophobicContact CG-CD1 3.64Å; L94-L134 CarbonylContact O-C 3.51Å; L94-L134 VanDerWaalsContact O-CA 3.3Å; L94-L134 WeakPolarHBondContact O-CA 3.45Å; L94-S135 PolarHBondContact O-N 3.24Å
95	S	66.7	Low	54.2	Low	22 Å²	22	38.9 Å²	38.9	15%	0.154	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	154.6	179.4	65.8	0	0	0	0	115.6	L54 K55 G56 S135	L54-S95 PolarHBondContact O-N 3.22Å; K55-S95 CarbonylContact C-O 3.51Å; K55-S95 WeakPolarHBondContact CA-O 3.28Å; K55-S95 WeakPolarHBondContact CG-OG 3.15Å; G56-S95 PolarHBondContact N-O 2.68Å; G56-S95 VanDerWaalsContact N-O 3.07Å; S95-S135 CarbonylContact C-O 3.49Å; S95-S135 WeakPolarHBondContact CA-O 3.32Å; S95-S135 WeakPolarHBondContact CB-O 3.49Å; S95-S135 WeakPolarHBondContact CB-OG 3.23Å
96	G	51	Low	55	Low	38 Å²	38	39.9 Å²	39.9	39%	0.392	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	67	58.5	176.5	0	0	0	0	0	111	G56 L57 S135 G136	G56-G96 CarbonylContact C-O 3.59Å; G56-G96 WeakPolarHBondContact CA-O 3.19Å; G56-G96 PolarHBondContact N-O 2.99Å; L57-G96 PolarHBondContact N-O 2.81Å; L57-G96 VanDerWaalsContact N-O 3.15Å; G96-S135 PolarHBondContact N-O 3.05Å; G96-G136 CarbonylContact C-O 3.59Å; G96-G136 WeakPolarHBondContact CA-O 2.91Å; G96-G136 PolarHBondContact N-O 3.45Å; G96-G136 VanDerWaalsContact N-O 3.1Å
97	L	61.8	Low	55.8	Low	7 Å²	7	37.4 Å²	37.4	4%	0.037	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	129.9	168.1	-47.4	176.5	0	0	0	108.5	L57 I67 L94 I107 G136 L137 S138	L57-L97 HydrophobicContact CB-CD2 3.48Å; L57-L97 VanDerWaalsContact CB-CD2 3.48Å; L57-L97 HydrophobicContact CD1-CD2 3.75Å; L57-L97 HydrophobicContact CG-CD2 3.78Å; L57-L97 VanDerWaalsContact O-CA 3.24Å; L57-L97 WeakPolarHBondContact O-CA 3Å; I67-L97 HydrophobicContact CD1-CD1 3.51Å; I67-L97 HydrophobicContact CD1-CD2 3.89Å; I67-L97 HydrophobicContact CD1-CG 4.39Å; L94-L97 HydrophobicContact CD1-CD1 4.09Å; L94-L97 HydrophobicContact CD1-CD2 3.99Å; L94-L97 HydrophobicContact CD1-CG 4.36Å; L94-L97 HydrophobicContact CD2-CD1 3.69Å; L94-L97 HydrophobicContact CG-CD1 3.82Å; L94-L97 HydrophobicContact CG-CD2 4.47Å; L94-L97 HydrophobicContact CG-CG 4.31Å; L97-I107 HydrophobicContact CD1-CD1 3.55Å; L97-I107 HydrophobicContact CD1-CG1 4.23Å; L97-G136 PolarHBondContact N-O 3.26Å; L97-L137 HydrophobicContact CB-CD2 3.39Å; L97-L137 HydrophobicContact CD1-CD2 3.32Å; L97-L137 HydrophobicContact CG-CD2 3.41Å; L97-L137 VanDerWaalsContact CG-CD2 3.41Å; L97-L137 CarbonylContact O-C 3.59Å; L97-L137 VanDerWaalsContact O-CA 3.27Å; L97-L137 WeakPolarHBondContact O-CA 2.81Å; L97-S138 PolarHBondContact O-N 2.99Å
98	S	56.1	Low	56.6	Low	49 Å²	49	38 Å²	38	34%	0.343	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	135	171	56.4	0	0	0	0	109	L57 S58 G59 S138	L57-S98 PolarHBondContact O-N 3.35Å; L57-S98 VanDerWaalsContact O-N 3.16Å; S58-S98 CarbonylContact C-O 3.59Å; S58-S98 VanDerWaalsContact CA-O 3.31Å; S58-S98 WeakPolarHBondContact CA-O 3.15Å; S58-S98 WeakPolarHBondContact CB-OG 3.48Å; G59-S98 PolarHBondContact N-O 2.74Å; S98-S138 WeakPolarHBondContact CA-O 2.89Å
99	G	55.2	Low	57.2	Low	3 Å²	3	37 Å²	37	3%	0.031	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	147	168.7	0	0	0	0	0	109.7	S138 Q143	G99-S138 PolarHBondContact N-O 3.14Å; G99-Q143 PolarHBondContact O-NE2 2.8Å
100	E	53.8	Low	57.6	Low	83 Å²	83	30.3 Å²	30.3	39%	0.388	19%	0.186	S	C	.	.			trans	-103.3	-180	169.2	-67	179.1	-172.3	0	0	110.7	G59 Q103 Q143	G59-E100 PolarHBondContact O-N 3.4Å; E100-Q103 WeakPolarHBondContact O-CG 2.94Å; E100-Q103 PolarHBondContact O-NE2 3.22Å; E100-Q143 PolarHBondContact O-NE2 3.03Å
101	N	56.1	Low	57.5	Low	65 Å²	65	29.3 Å²	29.3	35%	0.348	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-41.7	135.1	-164.3	-60.9	-45.8	0	0	0	116.4	N61 Q103 N141	N61-N101 WeakPolarHBondContact OD1-CB 3.18Å; N61-N101 PolarHBondContact OD1-N 3.13Å; N61-N101 VanDerWaalsContact OD1-N 3.08Å; N61-N101 PolarHBondContact OD1-O 3.16Å; N101-Q103 VanDerWaalsContact C-N 3.32Å; N101-Q103 PolarHBondContact O-N 3.44Å; N101-N141 WeakPolarHBondContact CA-O 3.28Å; N101-N141 WeakPolarHBondContact OD1-CB 3.37Å; N101-N141 PolarHBondContact OD1-ND2 3.4Å
102	G	49.4	Very low	57.4	Low	51 Å²	51	27.3 Å²	27.3	53%	0.526	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.5	10.7	164.2	0	0	0	0	0	116.9	N141	G102-N141 PolarHBondContact N-O 2.87Å
103	Q	59.6	Low	57.1	Low	1 Å²	1	27.8 Å²	27.8	1%	0.005	18%	0.179	C	C	.	.			trans	-78.5	145	-178.3	-64.9	173.2	24.3	0	0	113.2	G59 E60 E100 N101 I105 Q143 V144	G59-Q103 PolarHBondContact O-NE2 2.91Å; E60-Q103 PolarHBondContact O-NE2 3Å; E100-Q103 WeakPolarHBondContact O-CG 2.94Å; E100-Q103 PolarHBondContact O-NE2 3.22Å; N101-Q103 VanDerWaalsContact C-N 3.32Å; N101-Q103 PolarHBondContact O-N 3.44Å; Q103-I105 HydrophobicContact CB-CG1 4.35Å; Q103-Q143 HydrophobicContact CB-CG 4.29Å; Q103-Q143 VanDerWaalsContact O-CA 3.26Å; Q103-Q143 WeakPolarHBondContact O-CA 3.25Å; Q103-Q143 WeakPolarHBondContact O-CB 2.82Å; Q103-V144 PolarHBondContact O-N 3.27Å; Q103-V144 VanDerWaalsContact O-N 3.13Å
104	V	56	Low	56.2	Low	51 Å²	51	26.7 Å²	26.7	31%	0.309	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	117.9	166	-172.6	0	0	0	0	109	G64 M65 Y106 V144 Y146	G64-V104 CarbonylContact C-O 3.58Å; G64-V104 VanDerWaalsContact CA-O 3.28Å; G64-V104 WeakPolarHBondContact CA-O 3.15Å; M65-V104 PolarHBondContact N-O 3.11Å; V104-Y106 HydrophobicContact CB-CE2 4.25Å; V104-Y106 HydrophobicContact CG1-CD2 3.94Å; V104-Y106 HydrophobicContact CG1-CE2 3.26Å; V104-V144 CarbonylContact C-O 3.58Å; V104-V144 WeakPolarHBondContact CA-O 2.8Å; V104-V144 HydrophobicContact CG1-CB 4.36Å; V104-V144 HydrophobicContact CG2-CB 4.46Å; V104-Y146 HydrophobicContact CG1-CD2 4.24Å; V104-Y146 HydrophobicContact CG1-CE2 4.11Å
105	I	56	Low	55.4	Low	9 Å²	9	29.8 Å²	29.8	5%	0.046	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	116.7	-174.7	-56.6	176.6	0	0	0	109.4	M65 Q103 I107 V144 I145 Y146	M65-I105 HydrophobicContact CB-CG1 4.28Å; M65-I105 HydrophobicContact CB-CG2 4.42Å; M65-I105 CarbonylContact O-C 3.52Å; M65-I105 WeakPolarHBondContact O-CA 3.23Å; Q103-I105 HydrophobicContact CB-CG1 4.35Å; I105-I107 HydrophobicContact CG2-CD1 3.84Å; I105-I107 HydrophobicContact CG2-CG1 3.87Å; I105-V144 PolarHBondContact N-O 2.7Å; I105-I145 HydrophobicContact CB-CG1 4.36Å; I105-I145 HydrophobicContact CB-CG2 4.46Å; I105-I145 HydrophobicContact CD1-CG1 4.39Å; I105-Y146 PolarHBondContact O-N 3.05Å
106	Y	58.2	Low	54	Low	81 Å²	81	29.5 Å²	29.5	32%	0.318	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	109.6	174.2	-67.1	-86.5	0	0	0	110.4	M65 Y66 I67 V104 Y146	M65-Y106 PolarHBondContact O-N 3.12Å; Y66-Y106 AromaticContact CD1-CD2 3.65Å; Y66-Y106 HydrophobicContact CD1-CD2 3.65Å; Y66-Y106 AromaticContact CD1-CG 3.92Å; Y66-Y106 HydrophobicContact CD1-CG 3.92Å; Y66-Y106 AromaticContact CE1-CD2 3.14Å; Y66-Y106 HydrophobicContact CE1-CD2 3.14Å; Y66-Y106 AromaticContact CE1-CE2 3.63Å; Y66-Y106 HydrophobicContact CE1-CE2 3.63Å; Y66-Y106 AromaticContact CE1-CG 3.74Å; Y66-Y106 HydrophobicContact CE1-CG 3.74Å; Y66-Y106 HydrophobicContact CE2-CD2 4.45Å; Y66-Y106 HydrophobicContact CG-CD2 4.47Å; Y66-Y106 AromaticContact CZ-CD2 3.61Å; Y66-Y106 AromaticContact CZ-CE2 3.81Å; I67-Y106 PolarHBondContact N-O 3.44Å; V104-Y106 HydrophobicContact CB-CE2 4.25Å; V104-Y106 HydrophobicContact CG1-CD2 3.94Å; V104-Y106 HydrophobicContact CG1-CE2 3.26Å; Y106-Y146 AromaticContact CD1-CD2 3.68Å; Y106-Y146 HydrophobicContact CD1-CD2 3.68Å; Y106-Y146 AromaticContact CD1-CG 3.87Å; Y106-Y146 HydrophobicContact CD1-CG 3.87Å; Y106-Y146 HydrophobicContact CE1-CD1 4.48Å; Y106-Y146 AromaticContact CE1-CD2 3.21Å; Y106-Y146 HydrophobicContact CE1-CD2 3.21Å; Y106-Y146 AromaticContact CE1-CE2 3.71Å; Y106-Y146 HydrophobicContact CE1-CE2 3.71Å; Y106-Y146 AromaticContact CE1-CG 3.66Å; Y106-Y146 HydrophobicContact CE1-CG 3.66Å; Y106-Y146 HydrophobicContact CE2-CD2 4.49Å; Y106-Y146 HydrophobicContact CG-CD2 4.45Å; Y106-Y146 AromaticContact CZ-CD2 3.69Å; Y106-Y146 AromaticContact CZ-CE2 3.84Å
107	I	56.2	Low	53.1	Low	1 Å²	1	33.6 Å²	33.6	1%	0.005	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	112.2	176.5	-65.1	161.5	0	0	0	109	I67 L94 L97 I105 M109 L137 Y146 I147 T148	I67-I107 HydrophobicContact CB-CG1 4.23Å; I67-I107 HydrophobicContact CD1-CG1 4.32Å; I67-I107 CarbonylContact O-C 3.56Å; I67-I107 WeakPolarHBondContact O-CA 3.5Å; L94-I107 HydrophobicContact CD2-CD1 4.44Å; L94-I107 HydrophobicContact CD2-CG1 4.39Å; L94-I107 HydrophobicContact CD2-CG2 3.56Å; L97-I107 HydrophobicContact CD1-CD1 3.55Å; L97-I107 HydrophobicContact CD1-CG1 4.23Å; I105-I107 HydrophobicContact CG2-CD1 3.84Å; I105-I107 HydrophobicContact CG2-CG1 3.87Å; I107-M109 HydrophobicContact CG2-CG 3.86Å; I107-L137 HydrophobicContact CD1-CD1 3.75Å; I107-L137 HydrophobicContact CD1-CD2 4.24Å; I107-Y146 PolarHBondContact N-O 2.96Å; I107-I147 HydrophobicContact CB-CG1 4.3Å; I107-I147 HydrophobicContact CD1-CG1 4.19Å; I107-T148 PolarHBondContact O-N 3.33Å
108	T	59.1	Low	51.5	Low	40 Å²	40	39.9 Å²	39.9	25%	0.245	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	111.4	173	-60.4	0	0	0	0	110.1	I67 T68 L69 T71 S111 T148	I67-T108 PolarHBondContact O-N 3.42Å; T68-T108 WeakPolarHBondContact CA-O 3.46Å; L69-T108 PolarHBondContact N-O 2.89Å; T71-T108 HydrophobicContact CG2-CG2 3.61Å; T108-S111 VanDerWaalsContact CG2-CB 3.44Å; T108-T148 WeakPolarHBondContact CA-O 3.23Å
109	M	59.9	Low	50.5	Low	1 Å²	1	42 Å²	42	1%	0.005	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	132	-178.3	-69.5	-152.9	-66.9	0	0	112.8	L69 L94 I107 S111 L134 T148 M149 N150	L69-M109 HydrophobicContact CB-CG 4.11Å; L69-M109 HydrophobicContact CD2-SD 3.95Å; L69-M109 WeakPolarHBondContact O-CA 3.26Å; L94-M109 HydrophobicContact CB-CE 4.03Å; L94-M109 HydrophobicContact CB-SD 3.33Å; L94-M109 WeakPolarHBondContact CB-SD 3.16Å; L94-M109 HydrophobicContact CD2-CE 4.47Å; L94-M109 HydrophobicContact CD2-CG 4.26Å; L94-M109 HydrophobicContact CD2-SD 3.78Å; L94-M109 HydrophobicContact CG-SD 4.22Å; I107-M109 HydrophobicContact CG2-CG 3.86Å; M109-S111 PolarHBondContact O-N 3.44Å; M109-S111 PolarHBondContact O-OG 2.94Å; M109-L134 HydrophobicContact CE-CB 3.61Å; M109-L134 HydrophobicContact CE-CD1 3.79Å; M109-L134 HydrophobicContact CE-CD2 4.35Å; M109-L134 HydrophobicContact CE-CG 4.15Å; M109-T148 PolarHBondContact N-O 3.01Å; M109-M149 HydrophobicContact CB-CG 4.45Å; M109-M149 HydrophobicContact CE-CE 3.64Å; M109-M149 HydrophobicContact CE-CG 4.3Å; M109-N150 PolarHBondContact O-N 3.07Å
110	N	60.9	Low	49.8	Very low	0 Å²	0	45.1 Å²	45.1	0%	0	25%	0.25	C	S	.	.	S	Bend	trans	52.4	29.7	176.7	-60.4	-36.9	0	0	0	112.8	L69 N70 R90 R130 N131 G132 N150	L69-N110 PolarHBondContact O-N 2.88Å; N70-N110 WeakPolarHBondContact CB-OD1 3.35Å; N70-N110 PolarHBondContact ND2-OD1 2.92Å; R90-N110 HydrophobicContact CB-CB 4.2Å; N110-R130 HydrophobicContact CB-CB 4.41Å; N110-R130 VanDerWaalsContact O-CD 3.27Å; N110-R130 WeakPolarHBondContact O-CD 2.93Å; N110-R130 PolarHBondContact O-NH1 3.41Å; N110-N131 PolarHBondContact ND2-O 3.18Å; N110-G132 WeakPolarHBondContact ND2-CA 3.38Å; N110-N150 VanDerWaalsContact CB-OD1 3.23Å; N110-N150 WeakPolarHBondContact CB-OD1 3.26Å; N110-N150 PolarHBondContact ND2-OD1 3.42Å; N110-N150 VanDerWaalsContact ND2-OD1 3.13Å
111	S	56.7	Low	49	Very low	12 Å²	12	43 Å²	43	8%	0.084	24%	0.24	C	C	.	.			trans	-93.1	151.2	-178.4	-63.7	0	0	0	0	111.5	T71 S72 R90 T108 M109 T148 S151	T71-S111 VanDerWaalsContact CA-O 3.25Å; T71-S111 WeakPolarHBondContact CA-O 3.26Å; S72-S111 PolarHBondContact N-O 3.06Å; R90-S111 PolarHBondContact NH1-O 2.98Å; T108-S111 VanDerWaalsContact CG2-CB 3.44Å; M109-S111 PolarHBondContact O-N 3.44Å; M109-S111 PolarHBondContact O-OG 2.94Å; S111-T148 PolarHBondContact OG-O 2.64Å; S111-S151 WeakPolarHBondContact CA-O 3.02Å; S111-S151 WeakPolarHBondContact CB-O 3.3Å; S111-S151 PolarHBondContact OG-N 2.66Å
112	S	54	Low	48.2	Very low	10 Å²	10	41.9 Å²	41.9	7%	0.07	24%	0.237	C	C	.	.	B	Isolated β-bridge	trans	-151.3	142.8	173.5	82.5	0	0	0	0	111.5	S72 R130 S151 S152 G153	S72-S112 WeakPolarHBondContact OG-CB 3.35Å; S112-R130 PolarHBondContact OG-NH2 2.77Å; S112-S151 PolarHBondContact N-O 2.9Å; S112-S151 VanDerWaalsContact N-O 3.12Å; S112-S152 WeakPolarHBondContact O-CA 3.33Å; S112-S152 VanDerWaalsContact O-CB 3.28Å; S112-S152 WeakPolarHBondContact O-CB 3.46Å; S112-G153 PolarHBondContact O-N 2.78Å
113	G	53.1	Low	47.8	Very low	15 Å²	15	39.9 Å²	39.9	16%	0.155	22%	0.215	C	C	.	.			trans	-169.2	128.9	172.1	0	0	0	0	0	108	G153	G113-G153 WeakPolarHBondContact CA-O 3.46Å
114	P	43	Very low	46.8	Very low	20 Å²	20	40.4 Å²	40.4	13%	0.13	22%	0.218	C	C	.	.			trans	-69.5	132.5	166.2	28	-30.5	0	0	0	108.6	P154 N155	P114-P154 HydrophobicContact CG-CB 3.99Å; P114-P154 WeakPolarHBondContact O-CA 3.21Å; P114-N155 PolarHBondContact O-N 2.8Å
115	N	41.3	Very low	46	Very low	66 Å²	66	40.5 Å²	40.5	35%	0.353	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	117.4	159.2	-72.7	-17.2	0	0	0	105.9	N155	N115-N155 WeakPolarHBondContact OD1-CB 3.49Å
116	S	37.2	Very low	45.4	Very low	17 Å²	17	40.6 Å²	40.6	12%	0.119	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	130.3	177.4	60	0	0	0	0	110.9	N155 S156 H158	S116-N155 PolarHBondContact N-O 3.34Å; S116-S156 PolarHBondContact OG-OG 3.5Å; S116-H158 PolarHBondContact O-CE1 3.13Å; S116-H158 VanDerWaalsContact O-CE1 3.28Å; S116-H158 PolarHBondContact O-NE2 2.88Å; S116-H158 PolarHBondContact OG-NE2 3.18Å
117	H	31.1	Very low	44.8	Very low	124 Å²	124	38.8 Å²	38.8	57%	0.574	22%	0.22	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-109	140.7	162.2	-57.3	-87	0	0	0	105.2	Y157	H117-Y157 AromaticContact CE1-CD2 3.72Å
118	H	28.9	Very low	44.4	Very low	139 Å²	139	40 Å²	40	64%	0.644	23%	0.232	S	C	*	.	S	Bend	trans	107.7	139.8	-178.7	-53	-70.4	0	0	0	120.3	H158	H118-H158 VanDerWaalsContact C-CE1 3.5Å; H118-H158 VanDerWaalsContact C-ND1 3.34Å; H118-H158 PolarHBondContact N-CE1 3.08Å; H118-H158 PolarHBondContact N-ND1 2.99Å; H118-H158 PolarHBondContact O-CE1 3.27Å; H118-H158 PolarHBondContact O-ND1 3.04Å
119	L	35	Very low	44.2	Very low	92 Å²	92	42.7 Å²	42.7	48%	0.482	24%	0.238	S	C	.	.	S	Bend	trans	-92.3	154.4	-173.2	-67.2	156.1	0	0	0	112.7	N159	L119-N159 HydrophobicContact CD2-CB 3.78Å
120	P	39.4	Very low	44.1	Very low	69 Å²	69	43.6 Å²	43.6	45%	0.448	24%	0.241	S	C	.	.			cis	-92.8	130.5	-42.8	31.5	-20.3	0	0	0	110.5
121	F	38.1	Very low	43.9	Very low	39 Å²	39	45.3 Å²	45.3	17%	0.171	25%	0.25	C	S	.	.			trans	-117	137.1	-175.8	-160.3	-110	0	0	0	111.7	P83 P123	P83-F121 HydrophobicContact CB-CZ 4.22Å; P83-F121 HydrophobicContact CG-CE1 3.83Å; P83-F121 HydrophobicContact CG-CE2 4.28Å; P83-F121 HydrophobicContact CG-CZ 3.5Å; P83-F121 VanDerWaalsContact CG-CZ 3.5Å; F121-P123 HydrophobicContact CD1-CB 3.99Å; F121-P123 HydrophobicContact CD1-CG 4.45Å; F121-P123 HydrophobicContact CE1-CB 4.06Å; F121-P123 VanDerWaalsContact O-CD 3.26Å; F121-P123 WeakPolarHBondContact O-CD 3.09Å
122	S	38.9	Very low	44.1	Very low	41 Å²	41	44.9 Å²	44.9	29%	0.287	25%	0.247	S	C	.	.			trans	-100.4	93.9	163.3	-70.1	0	0	0	0	108.4	P83	P83-S122 WeakPolarHBondContact CD-O 3.26Å
123	P	41.7	Very low	44.4	Very low	9 Å²	9	47.4 Å²	47.4	6%	0.058	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-61.7	145.7	179.2	20.3	-30	0	0	0	112.2	F121 Y161 F162 T164	F121-P123 HydrophobicContact CD1-CB 3.99Å; F121-P123 HydrophobicContact CD1-CG 4.45Å; F121-P123 HydrophobicContact CE1-CB 4.06Å; F121-P123 VanDerWaalsContact O-CD 3.26Å; F121-P123 WeakPolarHBondContact O-CD 3.09Å; P123-Y161 HydrophobicContact CG-CE2 3.53Å; P123-Y161 WeakPolarHBondContact CG-OH 3.21Å; P123-F162 VanDerWaalsContact CD-O 3.3Å; P123-F162 WeakPolarHBondContact CD-O 3.29Å; P123-T164 HydrophobicContact CB-CG2 4.42Å; P123-T164 WeakPolarHBondContact CG-OG1 3.38Å
124	P	38.1	Very low	44.6	Very low	12 Å²	12	46.7 Å²	46.7	8%	0.078	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-67.9	143.9	-171.2	27.9	-29.1	0	0	0	110.1	P83 P84 L86 L126 T164	P83-P124 HydrophobicContact CB-CB 4.12Å; P83-P124 HydrophobicContact CB-CG 4.02Å; P83-P124 HydrophobicContact CG-CB 3.94Å; P83-P124 VanDerWaalsContact CG-CD 3.41Å; P83-P124 HydrophobicContact CG-CG 3.88Å; P83-P124 WeakPolarHBondContact O-CB 3.41Å; P84-P124 WeakPolarHBondContact O-CB 3.37Å; L86-P124 HydrophobicContact CD1-CG 4.05Å; L86-P124 HydrophobicContact CG-CG 4.01Å; P124-L126 PolarHBondContact O-N 3.39Å; P124-T164 WeakPolarHBondContact O-CG2 3.28Å
125	P	40.1	Very low	45.8	Very low	53 Å²	53	47.5 Å²	47.5	34%	0.344	26%	0.261	S	S	.	.	P	Polyproline II helix	trans	-52.2	116.9	171.8	-21.3	30.4	0	0	0	110.3	L86 S127 R165	L86-P125 PolarHBondContact N-O 3.08Å; P125-S127 PolarHBondContact O-N 2.91Å; P125-R165 WeakPolarHBondContact CA-O 3.37Å; P125-R165 HydrophobicContact CB-CB 4.4Å
126	L	42.4	Very low	46.2	Very low	12 Å²	12	46 Å²	46	6%	0.063	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	106.8	172.4	-55.7	-179.7	0	0	0	106.9	L86 P124 T164 R165 L166 S167	L86-L126 HydrophobicContact CB-CD2 3.67Å; L86-L126 HydrophobicContact CD1-CD2 3.68Å; L86-L126 HydrophobicContact CG-CD2 4.18Å; P124-L126 PolarHBondContact O-N 3.39Å; L126-T164 HydrophobicContact CG-CG2 4.05Å; L126-R165 PolarHBondContact N-O 3.04Å; L126-R165 VanDerWaalsContact N-O 3.09Å; L126-L166 HydrophobicContact CB-CD2 3.59Å; L126-L166 HydrophobicContact CD1-CD2 3.63Å; L126-L166 HydrophobicContact CG-CD2 3.9Å; L126-S167 PolarHBondContact O-N 2.94Å
127	S	45.2	Very low	47.5	Very low	43 Å²	43	45.7 Å²	45.7	30%	0.301	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	136.5	176.2	68.5	0	0	0	0	110.5	L86 S87 G88 P125 S167	L86-S127 PolarHBondContact O-N 3.47Å; L86-S127 VanDerWaalsContact O-N 3.08Å; S87-S127 WeakPolarHBondContact CA-O 3.16Å; S87-S127 VanDerWaalsContact CB-OG 3.26Å; S87-S127 WeakPolarHBondContact CB-OG 3.21Å; G88-S127 PolarHBondContact N-O 2.73Å; P125-S127 PolarHBondContact O-N 2.91Å; S127-S167 VanDerWaalsContact CA-O 3.23Å; S127-S167 WeakPolarHBondContact CA-O 3.26Å; S127-S167 WeakPolarHBondContact CB-OG 3.13Å
128	G	49	Very low	48.8	Very low	25 Å²	25	42.3 Å²	42.3	26%	0.258	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	177.2	164.4	179.5	0	0	0	0	0	116.6	G88 S167 G168 R169	G88-G128 VanDerWaalsContact O-CA 3.26Å; G88-G128 WeakPolarHBondContact O-CA 3.31Å; G128-S167 PolarHBondContact N-O 2.98Å; G128-G168 CarbonylContact O-C 3.54Å; G128-G168 WeakPolarHBondContact O-CA 3.44Å; G128-R169 PolarHBondContact O-N 2.83Å
129	R	54	Low	50.1	Low	97 Å²	97	36 Å²	36	37%	0.366	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	121.5	171.5	-173	176.3	177.5	-175.3	-2.3	108.5	G88 R89 R90 N131 R169	G88-R129 PolarHBondContact O-N 2.8Å; R89-R129 CarbonylContact C-O 3.55Å; R89-R129 WeakPolarHBondContact CA-O 3.3Å; R89-R129 HydrophobicContact CG-CB 4.38Å; R90-R129 PolarHBondContact N-O 3.34Å; R129-N131 PolarHBondContact NE-ND2 2.98Å; R129-N131 PolarHBondContact NE-OD1 3.04Å; R129-R169 CarbonylContact C-O 3.57Å; R129-R169 VanDerWaalsContact CA-O 3.28Å; R129-R169 WeakPolarHBondContact CA-O 3.15Å; R129-R169 HydrophobicContact CG-CB 4.42Å
130	R	58.1	Low	51.2	Low	20 Å²	20	35 Å²	35	8%	0.075	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	118.5	177.4	-58.1	176.1	-175.8	-162.5	9.7	108.1	R90 N110 S112 N150 S151 R169 R170 N171	R90-R130 HydrophobicContact CB-CG 4.47Å; R90-R130 CarbonylContact O-C 3.53Å; R90-R130 WeakPolarHBondContact O-CA 3.35Å; N110-R130 HydrophobicContact CB-CB 4.41Å; N110-R130 VanDerWaalsContact O-CD 3.27Å; N110-R130 WeakPolarHBondContact O-CD 2.93Å; N110-R130 PolarHBondContact O-NH1 3.41Å; S112-R130 PolarHBondContact OG-NH2 2.77Å; R130-N150 HydrophobicContact CB-CB 4.13Å; R130-N150 WeakPolarHBondContact CB-OD1 3.42Å; R130-S151 PolarHBondContact NH1-O 2.86Å; R130-R169 PolarHBondContact N-O 2.95Å; R130-R170 CarbonylContact O-C 3.59Å; R130-R170 WeakPolarHBondContact O-CA 3.28Å; R130-N171 PolarHBondContact O-N 2.82Å
131	N	57.7	Low	52.2	Low	37 Å²	37	34.3 Å²	34.3	20%	0.198	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	118	172.1	-50.1	-51	0	0	0	107.3	R90 N91 G92 N110 R129 N171	R90-N131 PolarHBondContact O-N 3.39Å; N91-N131 VanDerWaalsContact CA-O 3.26Å; N91-N131 WeakPolarHBondContact CA-O 3.45Å; N91-N131 WeakPolarHBondContact OD1-CB 3.35Å; N91-N131 PolarHBondContact OD1-ND2 3.42Å; G92-N131 PolarHBondContact N-O 3.47Å; N110-N131 PolarHBondContact ND2-O 3.18Å; R129-N131 PolarHBondContact NE-ND2 2.98Å; R129-N131 PolarHBondContact NE-OD1 3.04Å; N131-N171 CarbonylContact C-O 3.6Å; N131-N171 WeakPolarHBondContact CA-O 3.42Å; N131-N171 PolarHBondContact OD1-ND2 3.01Å
132	G	60.7	Low	52.9	Low	2 Å²	2	34.6 Å²	34.6	2%	0.021	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	131.6	-179.8	0	0	0	0	0	109.6	G92 N110 N171 G172 T173	G92-G132 CarbonylContact O-C 3.58Å; G92-G132 VanDerWaalsContact O-CA 3.31Å; G92-G132 WeakPolarHBondContact O-CA 3.32Å; N110-G132 WeakPolarHBondContact ND2-CA 3.38Å; G132-N171 PolarHBondContact N-O 2.89Å; G132-G172 CarbonylContact O-C 3.44Å; G132-G172 WeakPolarHBondContact O-CA 3.44Å; G132-T173 PolarHBondContact O-N 3.08Å
133	T	60.5	Low	53.9	Low	63 Å²	63	32.7 Å²	32.7	39%	0.387	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	122.5	168.9	-52.8	0	0	0	0	108.2	G92 S93 L94 T173	G92-T133 PolarHBondContact O-N 3.17Å; S93-T133 CarbonylContact C-O 3.16Å; S93-T133 VanDerWaalsContact CA-O 3.28Å; S93-T133 WeakPolarHBondContact CA-O 3.28Å; L94-T133 PolarHBondContact N-O 3.34Å; T133-T173 CarbonylContact C-O 3.6Å; T133-T173 VanDerWaalsContact CA-O 3.24Å; T133-T173 WeakPolarHBondContact CA-O 3.14Å
134	L	57.4	Low	54.6	Low	0 Å²	0	34.1 Å²	34.1	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	128.1	170.2	-174.8	61.7	0	0	0	108.1	L94 M109 L137 I147 M149 T173 L174 S175	L94-L134 HydrophobicContact CB-CD1 3.64Å; L94-L134 HydrophobicContact CD2-CD1 3.59Å; L94-L134 HydrophobicContact CG-CD1 3.64Å; L94-L134 CarbonylContact O-C 3.51Å; L94-L134 VanDerWaalsContact O-CA 3.3Å; L94-L134 WeakPolarHBondContact O-CA 3.45Å; M109-L134 HydrophobicContact CE-CB 3.61Å; M109-L134 HydrophobicContact CE-CD1 3.79Å; M109-L134 HydrophobicContact CE-CD2 4.35Å; M109-L134 HydrophobicContact CE-CG 4.15Å; L134-L137 HydrophobicContact CD1-CD1 4.2Å; L134-L137 HydrophobicContact CD1-CD2 3.98Å; L134-L137 HydrophobicContact CD1-CG 4.34Å; L134-L137 HydrophobicContact CD2-CD1 3.62Å; L134-L137 HydrophobicContact CD2-CG 4.4Å; L134-L137 HydrophobicContact CG-CD1 3.99Å; L134-L137 HydrophobicContact CG-CD2 4.42Å; L134-L137 HydrophobicContact CG-CG 4.24Å; L134-I147 HydrophobicContact CD2-CB 4.47Å; L134-I147 HydrophobicContact CD2-CD1 3.91Å; L134-I147 HydrophobicContact CD2-CG1 4.09Å; L134-I147 HydrophobicContact CD2-CG2 3.53Å; L134-M149 HydrophobicContact CB-CE 3.32Å; L134-M149 HydrophobicContact CD2-CE 4.41Å; L134-T173 PolarHBondContact N-O 3.47Å; L134-L174 HydrophobicContact CB-CB 4.44Å; L134-L174 HydrophobicContact CB-CD1 4.49Å; L134-L174 HydrophobicContact CB-CG 4.15Å; L134-L174 HydrophobicContact CD2-CD1 3.81Å; L134-L174 HydrophobicContact CD2-CG 4.14Å; L134-L174 HydrophobicContact CG-CG 4.47Å; L134-L174 CarbonylContact O-C 3.51Å; L134-L174 VanDerWaalsContact O-CA 3.28Å; L134-L174 WeakPolarHBondContact O-CA 3.43Å; L134-S175 PolarHBondContact O-N 3.11Å
135	S	66.6	Low	55.5	Low	38 Å²	38	34 Å²	34	27%	0.266	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	146.4	175	61.9	0	0	0	0	117.1	L94 S95 G96 S175	L94-S135 PolarHBondContact O-N 3.24Å; S95-S135 CarbonylContact C-O 3.49Å; S95-S135 WeakPolarHBondContact CA-O 3.32Å; S95-S135 WeakPolarHBondContact CB-O 3.49Å; S95-S135 WeakPolarHBondContact CB-OG 3.23Å; G96-S135 PolarHBondContact N-O 3.05Å; S135-S175 CarbonylContact C-O 3.58Å; S135-S175 WeakPolarHBondContact CA-O 3.2Å; S135-S175 VanDerWaalsContact CB-O 3.29Å; S135-S175 WeakPolarHBondContact CB-O 3.47Å
136	G	51	Low	56.3	Low	33 Å²	33	35.1 Å²	35.1	34%	0.34	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	70.7	60.8	177.5	0	0	0	0	0	111.2	G96 L97 S175 G176	G96-G136 CarbonylContact C-O 3.59Å; G96-G136 WeakPolarHBondContact CA-O 2.91Å; G96-G136 PolarHBondContact N-O 3.45Å; G96-G136 VanDerWaalsContact N-O 3.1Å; L97-G136 PolarHBondContact N-O 3.26Å; G136-S175 PolarHBondContact N-O 3.46Å; G136-S175 VanDerWaalsContact N-O 3.11Å; G136-G176 CarbonylContact C-O 3.58Å; G136-G176 WeakPolarHBondContact CA-O 3.46Å; G136-G176 PolarHBondContact N-O 2.71Å
137	L	63.2	Low	57	Low	11 Å²	11	34.6 Å²	34.6	6%	0.058	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	123.1	163.5	-49.3	-177.4	0	0	0	107.6	L97 I107 L134 I147 G176 L177 S178	L97-L137 HydrophobicContact CB-CD2 3.39Å; L97-L137 HydrophobicContact CD1-CD2 3.32Å; L97-L137 HydrophobicContact CG-CD2 3.41Å; L97-L137 VanDerWaalsContact CG-CD2 3.41Å; L97-L137 CarbonylContact O-C 3.59Å; L97-L137 VanDerWaalsContact O-CA 3.27Å; L97-L137 WeakPolarHBondContact O-CA 2.81Å; I107-L137 HydrophobicContact CD1-CD1 3.75Å; I107-L137 HydrophobicContact CD1-CD2 4.24Å; L134-L137 HydrophobicContact CD1-CD1 4.2Å; L134-L137 HydrophobicContact CD1-CD2 3.98Å; L134-L137 HydrophobicContact CD1-CG 4.34Å; L134-L137 HydrophobicContact CD2-CD1 3.62Å; L134-L137 HydrophobicContact CD2-CG 4.4Å; L134-L137 HydrophobicContact CG-CD1 3.99Å; L134-L137 HydrophobicContact CG-CD2 4.42Å; L134-L137 HydrophobicContact CG-CG 4.24Å; L137-I147 HydrophobicContact CD1-CD1 3.51Å; L137-I147 HydrophobicContact CD1-CG1 4.2Å; L137-G176 PolarHBondContact N-O 3Å; L137-L177 HydrophobicContact CB-CD2 3.49Å; L137-L177 VanDerWaalsContact CB-CD2 3.49Å; L137-L177 HydrophobicContact CD1-CD2 3.37Å; L137-L177 HydrophobicContact CG-CD2 3.36Å; L137-L177 CarbonylContact O-C 3.56Å; L137-L177 VanDerWaalsContact O-CA 3.24Å; L137-L177 WeakPolarHBondContact O-CA 3.42Å; L137-S178 PolarHBondContact O-N 2.85Å
138	S	58.5	Low	57.7	Low	53 Å²	53	34.6 Å²	34.6	37%	0.371	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	139.9	172.8	59.4	0	0	0	0	109.9	L97 S98 G99 S178	L97-S138 PolarHBondContact O-N 2.99Å; S98-S138 WeakPolarHBondContact CA-O 2.89Å; G99-S138 PolarHBondContact N-O 3.14Å; S138-S178 VanDerWaalsContact CA-O 3.29Å; S138-S178 WeakPolarHBondContact CA-O 3.18Å; S138-S178 WeakPolarHBondContact CB-OG 3.4Å
139	G	56.8	Low	58.3	Low	6 Å²	6	33.5 Å²	33.5	6%	0.062	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	150.4	170	0	0	0	0	0	110.7	S178 G179 E180 Q183	G139-S178 PolarHBondContact N-O 3.38Å; G139-G179 VanDerWaalsContact O-CA 3.3Å; G139-G179 WeakPolarHBondContact O-CA 3.24Å; G139-E180 PolarHBondContact O-N 2.91Å; G139-E180 VanDerWaalsContact O-N 3.17Å; G139-Q183 PolarHBondContact O-NE2 3.46Å
140	E	58.3	Low	58.7	Low	72 Å²	72	28.9 Å²	28.9	34%	0.336	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	-91.2	177.1	-63.4	178.4	176.3	0	0	110	E180 N181 Q183	E140-E180 PolarHBondContact O-N 2.92Å; E140-N181 PolarHBondContact O-N 3.48Å; E140-N181 VanDerWaalsContact O-N 3.08Å; E140-Q183 PolarHBondContact O-NE2 3.36Å
141	N	61.1	Low	58.8	Low	55 Å²	55	28.5 Å²	28.5	29%	0.294	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	138.1	-171.4	-51.5	-62.3	0	0	0	115.2	N101 G102 Q143 N181	N101-N141 WeakPolarHBondContact CA-O 3.28Å; N101-N141 WeakPolarHBondContact OD1-CB 3.37Å; N101-N141 PolarHBondContact OD1-ND2 3.4Å; G102-N141 PolarHBondContact N-O 2.87Å; N141-Q143 VanDerWaalsContact C-N 3.29Å; N141-Q143 PolarHBondContact O-N 2.8Å; N141-N181 WeakPolarHBondContact CA-O 3.24Å; N141-N181 VanDerWaalsContact OD1-CB 3.3Å; N141-N181 WeakPolarHBondContact OD1-CB 2.99Å; N141-N181 PolarHBondContact OD1-ND2 2.83Å
142	G	51.2	Low	58.7	Low	44 Å²	44	27.1 Å²	27.1	45%	0.454	17%	0.171	S	C	.	.	S	Bend	trans	68.2	18.2	161.1	0	0	0	0	0	116.2	N181	G142-N181 PolarHBondContact N-O 3.43Å
143	Q	60.2	Low	58.4	Low	1 Å²	1	27.8 Å²	27.8	1%	0.005	18%	0.179	C	C	.	.			trans	-80	145.6	-178.2	-67.9	171.6	15.6	0	0	112.7	G99 E100 Q103 N141 I145 Q183 V184	G99-Q143 PolarHBondContact O-NE2 2.8Å; E100-Q143 PolarHBondContact O-NE2 3.03Å; Q103-Q143 HydrophobicContact CB-CG 4.29Å; Q103-Q143 VanDerWaalsContact O-CA 3.26Å; Q103-Q143 WeakPolarHBondContact O-CA 3.25Å; Q103-Q143 WeakPolarHBondContact O-CB 2.82Å; N141-Q143 VanDerWaalsContact C-N 3.29Å; N141-Q143 PolarHBondContact O-N 2.8Å; Q143-I145 HydrophobicContact CB-CG1 4.22Å; Q143-Q183 HydrophobicContact CB-CG 4.29Å; Q143-Q183 VanDerWaalsContact O-CA 3.29Å; Q143-Q183 WeakPolarHBondContact O-CA 3.26Å; Q143-V184 PolarHBondContact O-N 3.02Å
144	V	57.5	Low	57.7	Low	39 Å²	39	24.9 Å²	24.9	24%	0.236	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	116	167.6	-172.7	0	0	0	0	109	Q103 V104 I105 Y146 V184 Y186	Q103-V144 PolarHBondContact O-N 3.27Å; Q103-V144 VanDerWaalsContact O-N 3.13Å; V104-V144 CarbonylContact C-O 3.58Å; V104-V144 WeakPolarHBondContact CA-O 2.8Å; V104-V144 HydrophobicContact CG1-CB 4.36Å; V104-V144 HydrophobicContact CG2-CB 4.46Å; I105-V144 PolarHBondContact N-O 2.7Å; V144-Y146 HydrophobicContact CB-CE2 4.33Å; V144-Y146 HydrophobicContact CG1-CD2 4.08Å; V144-Y146 HydrophobicContact CG1-CE2 3.31Å; V144-V184 CarbonylContact C-O 3.6Å; V144-V184 WeakPolarHBondContact CA-O 3.09Å; V144-V184 HydrophobicContact CG1-CB 4.35Å; V144-V184 HydrophobicContact CG2-CB 4.43Å; V144-Y186 HydrophobicContact CG1-CD2 4.4Å; V144-Y186 HydrophobicContact CG1-CE2 4.2Å
145	I	56.7	Low	57.1	Low	10 Å²	10	28.2 Å²	28.2	5%	0.051	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	119.6	-172.4	-56.4	176.3	0	0	0	109.7	I105 Q143 I147 V184 I185 Y186	I105-I145 HydrophobicContact CB-CG1 4.36Å; I105-I145 HydrophobicContact CB-CG2 4.46Å; I105-I145 HydrophobicContact CD1-CG1 4.39Å; Q143-I145 HydrophobicContact CB-CG1 4.22Å; I145-I147 HydrophobicContact CG2-CD1 3.83Å; I145-I147 HydrophobicContact CG2-CG1 3.83Å; I145-V184 PolarHBondContact N-O 3.18Å; I145-I185 HydrophobicContact CB-CG1 4.43Å; I145-I185 HydrophobicContact CB-CG2 4.32Å; I145-I185 HydrophobicContact CD1-CG1 4.46Å; I145-I185 CarbonylContact O-C 3.59Å; I145-I185 WeakPolarHBondContact O-CA 3.23Å; I145-Y186 PolarHBondContact O-N 2.78Å
146	Y	57.3	Low	55.7	Low	77 Å²	77	26.5 Å²	26.5	30%	0.302	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	107.9	174.8	-64	-87.5	0	0	0	110.4	V104 I105 Y106 I107 V144 Y186	V104-Y146 HydrophobicContact CG1-CD2 4.24Å; V104-Y146 HydrophobicContact CG1-CE2 4.11Å; I105-Y146 PolarHBondContact O-N 3.05Å; Y106-Y146 AromaticContact CD1-CD2 3.68Å; Y106-Y146 HydrophobicContact CD1-CD2 3.68Å; Y106-Y146 AromaticContact CD1-CG 3.87Å; Y106-Y146 HydrophobicContact CD1-CG 3.87Å; Y106-Y146 HydrophobicContact CE1-CD1 4.48Å; Y106-Y146 AromaticContact CE1-CD2 3.21Å; Y106-Y146 HydrophobicContact CE1-CD2 3.21Å; Y106-Y146 AromaticContact CE1-CE2 3.71Å; Y106-Y146 HydrophobicContact CE1-CE2 3.71Å; Y106-Y146 AromaticContact CE1-CG 3.66Å; Y106-Y146 HydrophobicContact CE1-CG 3.66Å; Y106-Y146 HydrophobicContact CE2-CD2 4.49Å; Y106-Y146 HydrophobicContact CG-CD2 4.45Å; Y106-Y146 AromaticContact CZ-CD2 3.69Å; Y106-Y146 AromaticContact CZ-CE2 3.84Å; I107-Y146 PolarHBondContact N-O 2.96Å; V144-Y146 HydrophobicContact CB-CE2 4.33Å; V144-Y146 HydrophobicContact CG1-CD2 4.08Å; V144-Y146 HydrophobicContact CG1-CE2 3.31Å; Y146-Y186 AromaticContact CD1-CD2 3.6Å; Y146-Y186 HydrophobicContact CD1-CD2 3.6Å; Y146-Y186 HydrophobicContact CD1-CE2 4.46Å; Y146-Y186 AromaticContact CD1-CG 3.82Å; Y146-Y186 HydrophobicContact CD1-CG 3.82Å; Y146-Y186 AromaticContact CE1-CD2 3.18Å; Y146-Y186 HydrophobicContact CE1-CD2 3.18Å; Y146-Y186 AromaticContact CE1-CE2 3.62Å; Y146-Y186 HydrophobicContact CE1-CE2 3.62Å; Y146-Y186 AromaticContact CE1-CG 3.69Å; Y146-Y186 HydrophobicContact CE1-CG 3.69Å; Y146-Y186 HydrophobicContact CG-CD2 4.41Å; Y146-Y186 AromaticContact CZ-CD2 3.73Å; Y146-Y186 AromaticContact CZ-CE2 3.84Å
147	I	56.5	Low	54.8	Low	1 Å²	1	31.1 Å²	31.1	1%	0.005	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	114.7	177.5	-62.9	157.2	0	0	0	109.5	I107 L134 L137 I145 L174 L177 Y186 I187 T188	I107-I147 HydrophobicContact CB-CG1 4.3Å; I107-I147 HydrophobicContact CD1-CG1 4.19Å; L134-I147 HydrophobicContact CD2-CB 4.47Å; L134-I147 HydrophobicContact CD2-CD1 3.91Å; L134-I147 HydrophobicContact CD2-CG1 4.09Å; L134-I147 HydrophobicContact CD2-CG2 3.53Å; L137-I147 HydrophobicContact CD1-CD1 3.51Å; L137-I147 HydrophobicContact CD1-CG1 4.2Å; I145-I147 HydrophobicContact CG2-CD1 3.83Å; I145-I147 HydrophobicContact CG2-CG1 3.83Å; I147-L174 HydrophobicContact CD1-CD1 4.35Å; I147-L174 HydrophobicContact CG2-CD1 3.97Å; I147-L177 HydrophobicContact CD1-CD1 3.75Å; I147-L177 HydrophobicContact CD1-CD2 4.4Å; I147-Y186 PolarHBondContact N-O 3.46Å; I147-I187 HydrophobicContact CD1-CG1 4.37Å; I147-T188 PolarHBondContact O-N 2.81Å
148	T	60.5	Low	53.6	Low	43 Å²	43	31.4 Å²	31.4	26%	0.264	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	103.5	173	-63.4	0	0	0	0	110	I107 T108 M109 S111 S151 T188	I107-T148 PolarHBondContact O-N 3.33Å; T108-T148 WeakPolarHBondContact CA-O 3.23Å; M109-T148 PolarHBondContact N-O 3.01Å; S111-T148 PolarHBondContact OG-O 2.64Å; T148-S151 VanDerWaalsContact CG2-CB 3.42Å; T148-S151 WeakPolarHBondContact CG2-OG 3.26Å; T148-T188 WeakPolarHBondContact CA-O 3.01Å
149	M	60.7	Low	52.4	Low	1 Å²	1	33 Å²	33	1%	0.005	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	131.2	-178.1	-172.3	-162.9	-69	0	0	111.9	M109 L134 S151 L174 T188 M189 N190	M109-M149 HydrophobicContact CB-CG 4.45Å; M109-M149 HydrophobicContact CE-CE 3.64Å; M109-M149 HydrophobicContact CE-CG 4.3Å; L134-M149 HydrophobicContact CB-CE 3.32Å; L134-M149 HydrophobicContact CD2-CE 4.41Å; M149-S151 PolarHBondContact O-N 2.9Å; M149-S151 PolarHBondContact O-OG 3.42Å; M149-L174 HydrophobicContact CE-CB 4.1Å; M149-L174 HydrophobicContact CE-CD1 4.46Å; M149-T188 PolarHBondContact N-O 2.73Å; M149-M189 HydrophobicContact CB-CG 4.39Å; M149-M189 HydrophobicContact SD-CE 4.43Å; M149-M189 HydrophobicContact SD-CG 4.16Å; M149-N190 PolarHBondContact O-N 3.13Å
150	N	62.3	Low	51.3	Low	0 Å²	0	40 Å²	40	0%	0	21%	0.205	C	C	.	.	S	Bend	trans	54.8	33.8	175.4	-59.3	-35.2	0	0	0	112.6	M109 N110 R130 R170 N171 G172 N190	M109-N150 PolarHBondContact O-N 3.07Å; N110-N150 VanDerWaalsContact CB-OD1 3.23Å; N110-N150 WeakPolarHBondContact CB-OD1 3.26Å; N110-N150 PolarHBondContact ND2-OD1 3.42Å; N110-N150 VanDerWaalsContact ND2-OD1 3.13Å; R130-N150 HydrophobicContact CB-CB 4.13Å; R130-N150 WeakPolarHBondContact CB-OD1 3.42Å; N150-R170 HydrophobicContact CB-CB 4.38Å; N150-R170 VanDerWaalsContact O-CD 3.28Å; N150-R170 WeakPolarHBondContact O-CD 3.3Å; N150-R170 PolarHBondContact O-NH1 2.86Å; N150-N171 PolarHBondContact ND2-O 3.25Å; N150-G172 WeakPolarHBondContact ND2-CA 2.87Å; N150-N190 VanDerWaalsContact CB-OD1 3.25Å; N150-N190 WeakPolarHBondContact CB-OD1 3.29Å; N150-N190 PolarHBondContact ND2-OD1 2.69Å
151	S	59.3	Low	50.3	Low	13 Å²	13	36.9 Å²	36.9	9%	0.091	19%	0.19	C	C	.	.			trans	-95.4	146.5	-175.8	-67.1	0	0	0	0	112	S111 S112 R130 T148 M149 S191	S111-S151 WeakPolarHBondContact CA-O 3.02Å; S111-S151 WeakPolarHBondContact CB-O 3.3Å; S111-S151 PolarHBondContact OG-N 2.66Å; S112-S151 PolarHBondContact N-O 2.9Å; S112-S151 VanDerWaalsContact N-O 3.12Å; R130-S151 PolarHBondContact NH1-O 2.86Å; T148-S151 VanDerWaalsContact CG2-CB 3.42Å; T148-S151 WeakPolarHBondContact CG2-OG 3.26Å; M149-S151 PolarHBondContact O-N 2.9Å; M149-S151 PolarHBondContact O-OG 3.42Å; S151-S191 VanDerWaalsContact CA-O 3.23Å; S151-S191 WeakPolarHBondContact CA-O 3.48Å
152	S	55.6	Low	49.1	Very low	7 Å²	7	39.2 Å²	39.2	5%	0.049	20%	0.197	C	C	.	.	B	Isolated β-bridge	trans	-143.9	139.1	174.1	87.7	0	0	0	0	112.5	S112 R170 S191 S192 G193	S112-S152 WeakPolarHBondContact O-CA 3.33Å; S112-S152 VanDerWaalsContact O-CB 3.28Å; S112-S152 WeakPolarHBondContact O-CB 3.46Å; S152-R170 PolarHBondContact OG-NH2 2.93Å; S152-S191 PolarHBondContact N-O 3.25Å; S152-S191 VanDerWaalsContact N-O 3.11Å; S152-S192 WeakPolarHBondContact O-CA 3.09Å; S152-S192 WeakPolarHBondContact O-CB 3.15Å; S152-G193 PolarHBondContact O-N 2.96Å
153	G	54.4	Low	48.6	Very low	17 Å²	17	39 Å²	39	18%	0.175	19%	0.188	C	C	.	.			trans	-177.1	126.3	177.5	0	0	0	0	0	108.1	S112 G113 G193	S112-G153 PolarHBondContact O-N 2.78Å; G113-G153 WeakPolarHBondContact CA-O 3.46Å; G153-G193 VanDerWaalsContact CA-O 3.3Å; G153-G193 WeakPolarHBondContact CA-O 3.22Å
154	P	46.6	Very low	47.6	Very low	1 Å²	1	39 Å²	39	1%	0.006	19%	0.189	C	C	.	.			trans	-67.2	136.6	165.7	27.7	-30	0	0	0	108.8	P114 Y161 P194 N195	P114-P154 HydrophobicContact CG-CB 3.99Å; P114-P154 WeakPolarHBondContact O-CA 3.21Å; P154-Y161 WeakPolarHBondContact CG-OH 3.23Å; P154-P194 HydrophobicContact CG-CB 3.88Å; P154-P194 VanDerWaalsContact O-CA 3.28Å; P154-P194 WeakPolarHBondContact O-CA 3.32Å; P154-N195 PolarHBondContact O-N 3.06Å
155	N	44	Very low	46.8	Very low	70 Å²	70	44.8 Å²	44.8	37%	0.374	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	125.7	159.7	-68.7	-15.6	0	0	0	107	P114 N115 S116 N195	P114-N155 PolarHBondContact O-N 2.8Å; N115-N155 WeakPolarHBondContact OD1-CB 3.49Å; S116-N155 PolarHBondContact N-O 3.34Å; N155-N195 VanDerWaalsContact CA-O 3.32Å; N155-N195 WeakPolarHBondContact CA-O 3.41Å; N155-N195 WeakPolarHBondContact OD1-CB 3.1Å
156	S	37.4	Very low	46	Very low	3 Å²	3	44.5 Å²	44.5	2%	0.021	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	139.8	-173.8	-60.2	0	0	0	0	112.5	S116 N195 S196 Y197 H198	S116-S156 PolarHBondContact OG-OG 3.5Å; S156-N195 PolarHBondContact N-O 2.66Å; S156-S196 VanDerWaalsContact O-CA 3.3Å; S156-S196 WeakPolarHBondContact O-CA 3.2Å; S156-Y197 PolarHBondContact O-N 2.81Å; S156-H198 VanDerWaalsContact C-CE1 3.41Å; S156-H198 PolarHBondContact O-CE1 2.91Å; S156-H198 PolarHBondContact O-NE2 2.64Å
157	Y	32.9	Very low	45.5	Very low	129 Å²	129	43.1 Å²	43.1	51%	0.506	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	104	177.1	-62.7	-94.1	0	0	0	108.6	H117 Y197	H117-Y157 AromaticContact CE1-CD2 3.72Å; Y157-Y197 AromaticContact CD1-CD2 3.62Å; Y157-Y197 HydrophobicContact CD1-CD2 3.62Å; Y157-Y197 AromaticContact CD1-CG 3.95Å; Y157-Y197 HydrophobicContact CD1-CG 3.95Å; Y157-Y197 AromaticContact CE1-CD2 3.09Å; Y157-Y197 HydrophobicContact CE1-CD2 3.09Å; Y157-Y197 AromaticContact CE1-CE2 3.62Å; Y157-Y197 HydrophobicContact CE1-CE2 3.62Å; Y157-Y197 AromaticContact CE1-CG 3.79Å; Y157-Y197 HydrophobicContact CE1-CG 3.79Å; Y157-Y197 AromaticContact CZ-CD2 3.78Å
158	H	36.9	Very low	45.1	Very low	17 Å²	17	44.2 Å²	44.2	8%	0.079	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	155.9	-170.2	-59	-65.5	0	0	0	113.8	S116 H118 Y197 H198	S116-H158 PolarHBondContact O-CE1 3.13Å; S116-H158 VanDerWaalsContact O-CE1 3.28Å; S116-H158 PolarHBondContact O-NE2 2.88Å; S116-H158 PolarHBondContact OG-NE2 3.18Å; H118-H158 VanDerWaalsContact C-CE1 3.5Å; H118-H158 VanDerWaalsContact C-ND1 3.34Å; H118-H158 PolarHBondContact N-CE1 3.08Å; H118-H158 PolarHBondContact N-ND1 2.99Å; H118-H158 PolarHBondContact O-CE1 3.27Å; H118-H158 PolarHBondContact O-ND1 3.04Å; H158-Y197 PolarHBondContact N-O 3Å; H158-H198 WeakPolarHBondContact CA-ND1 3.2Å; H158-H198 VanDerWaalsContact CB-CE1 3.47Å; H158-H198 WeakPolarHBondContact CB-CE1 2.88Å; H158-H198 WeakPolarHBondContact CB-ND1 3.22Å; H158-H198 AromaticContact CD2-CE1 3.58Å; H158-H198 AromaticContact CG-CE1 3.84Å; H158-H198 PolarHBondContact N-CE1 3.01Å; H158-H198 PolarHBondContact N-ND1 2.68Å; H158-H198 WeakPolarHBondContact O-CA 3.48Å; H158-H198 WeakPolarHBondContact O-CB 3.27Å; H158-H198 PolarHBondContact O-ND1 2.77Å
159	N	34	Very low	44.7	Very low	87 Å²	87	46.9 Å²	46.9	47%	0.465	22%	0.223	S	C	.	.	S	Bend	trans	-81.7	-27.1	174.2	-82.8	-39.6	0	0	0	115.1	L119 N199 R200	L119-N159 HydrophobicContact CD2-CB 3.78Å; N159-N199 PolarHBondContact OD1-ND2 3.32Å; N159-R200 PolarHBondContact O-N 3.46Å
160	R	34.7	Very low	44.6	Very low	154 Å²	154	47.8 Å²	47.8	58%	0.581	23%	0.226	S	C	*	.	S	Bend	trans	-145.3	123.9	176.2	-65.4	-176.7	-148.2	179.6	8.1	110.1
161	Y	35.7	Very low	44.3	Very low	6 Å²	6	49.1 Å²	49.1	2%	0.024	23%	0.234	C	C	.	.	B	Isolated β-bridge	trans	-126.1	129.6	-177.6	-179.3	-100.8	0	0	0	111.9	P123 P154 T164 R200 Y201 F202	P123-Y161 HydrophobicContact CG-CE2 3.53Å; P123-Y161 WeakPolarHBondContact CG-OH 3.21Å; P154-Y161 WeakPolarHBondContact CG-OH 3.23Å; Y161-T164 PolarHBondContact OH-OG1 3.05Å; Y161-R200 PolarHBondContact N-O 3.15Å; Y161-Y201 AromaticContact CD1-CD2 3.77Å; Y161-Y201 HydrophobicContact CD1-CD2 3.77Å; Y161-Y201 AromaticContact CD1-CE2 3.54Å; Y161-Y201 HydrophobicContact CD1-CE2 3.54Å; Y161-Y201 AromaticContact CE1-CE2 3.85Å; Y161-Y201 HydrophobicContact CE1-CE2 3.85Å; Y161-F202 PolarHBondContact O-N 3.13Å
162	F	36.6	Very low	44.4	Very low	103 Å²	103	48.6 Å²	48.6	45%	0.452	23%	0.23	S	C	.	.	P	Polyproline II helix	trans	-93.9	131.3	167.7	-69.8	-77.8	0	0	0	110	P123 F202	P123-F162 VanDerWaalsContact CD-O 3.3Å; P123-F162 WeakPolarHBondContact CD-O 3.29Å; F162-F202 HydrophobicContact CD1-CD2 4.05Å; F162-F202 HydrophobicContact CD1-CE2 4.47Å; F162-F202 HydrophobicContact CE1-CD2 4.03Å; F162-F202 AromaticContact CE1-CE2 3.98Å; F162-F202 HydrophobicContact CE1-CE2 3.98Å
163	P	40.5	Very low	44.6	Very low	41 Å²	41	50.9 Å²	50.9	27%	0.266	24%	0.244	S	C	.	.	P	Polyproline II helix	trans	-72.7	131.6	-167.7	20.2	-32	0	0	0	115.2	F202 P203 T204	P163-F202 VanDerWaalsContact CB-O 3.28Å; P163-F202 WeakPolarHBondContact CB-O 3.42Å; P163-F202 VanDerWaalsContact CD-CB 3.44Å; P163-F202 VanDerWaalsContact CD-O 3.28Å; P163-F202 WeakPolarHBondContact CD-O 3.13Å; P163-F202 HydrophobicContact CG-CB 3.96Å; P163-F202 WeakPolarHBondContact CG-O 3.31Å; P163-P203 VanDerWaalsContact CB-O 3.23Å; P163-P203 WeakPolarHBondContact CB-O 3.1Å; P163-P203 VanDerWaalsContact CG-C 3.47Å; P163-P203 WeakPolarHBondContact CG-O 3.19Å; P163-T204 WeakPolarHBondContact CB-OG1 3.17Å
164	T	39	Very low	44.9	Very low	1 Å²	1	50 Å²	50	1%	0.006	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-55.7	137.2	158.5	-30.6	0	0	0	0	110.3	P123 P124 L126 Y161 L166 T204	P123-T164 HydrophobicContact CB-CG2 4.42Å; P123-T164 WeakPolarHBondContact CG-OG1 3.38Å; P124-T164 WeakPolarHBondContact O-CG2 3.28Å; L126-T164 HydrophobicContact CG-CG2 4.05Å; Y161-T164 PolarHBondContact OH-OG1 3.05Å; T164-L166 HydrophobicContact CG2-CD2 4.24Å; T164-T204 WeakPolarHBondContact O-CB 3.25Å; T164-T204 WeakPolarHBondContact O-CG2 3.2Å
165	R	40.8	Very low	45.8	Very low	159 Å²	159	51.7 Å²	51.7	60%	0.6	25%	0.247	S	C	*	.			trans	-84.6	115.2	160	-69.4	-177.7	-176.3	-178.7	3.9	107.9	P125 L126	P125-R165 WeakPolarHBondContact CA-O 3.37Å; P125-R165 HydrophobicContact CB-CB 4.4Å; L126-R165 PolarHBondContact N-O 3.04Å; L126-R165 VanDerWaalsContact N-O 3.09Å
166	L	41.3	Very low	46.1	Very low	5 Å²	5	50 Å²	50	3%	0.026	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	102.5	171.8	-68.3	-179.7	0	0	0	107.4	L126 T164 T204 R205 L206 S207	L126-L166 HydrophobicContact CB-CD2 3.59Å; L126-L166 HydrophobicContact CD1-CD2 3.63Å; L126-L166 HydrophobicContact CG-CD2 3.9Å; T164-L166 HydrophobicContact CG2-CD2 4.24Å; L166-T204 HydrophobicContact CD1-CG2 4.22Å; L166-T204 HydrophobicContact CG-CG2 4.11Å; L166-R205 PolarHBondContact N-O 3.22Å; L166-L206 HydrophobicContact CB-CD2 3.6Å; L166-L206 HydrophobicContact CD1-CD2 3.41Å; L166-L206 VanDerWaalsContact CD1-CD2 3.41Å; L166-L206 HydrophobicContact CG-CD2 3.86Å; L166-S207 PolarHBondContact O-N 3.05Å
167	S	45.3	Very low	47.4	Very low	47 Å²	47	50.2 Å²	50.2	33%	0.329	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	143.2	176.8	68.1	0	0	0	0	110.9	L126 S127 G128 S207	L126-S167 PolarHBondContact O-N 2.94Å; S127-S167 VanDerWaalsContact CA-O 3.23Å; S127-S167 WeakPolarHBondContact CA-O 3.26Å; S127-S167 WeakPolarHBondContact CB-OG 3.13Å; G128-S167 PolarHBondContact N-O 2.98Å; S167-S207 VanDerWaalsContact CA-O 3.23Å; S167-S207 WeakPolarHBondContact CA-O 3.42Å
168	G	47.7	Very low	48.6	Very low	25 Å²	25	46.5 Å²	46.5	26%	0.258	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	164.7	171.2	175.1	0	0	0	0	0	117.2	G128 S207 G208 R209	G128-G168 CarbonylContact O-C 3.54Å; G128-G168 WeakPolarHBondContact O-CA 3.44Å; G168-S207 PolarHBondContact N-O 2.92Å; G168-G208 CarbonylContact O-C 3.59Å; G168-G208 WeakPolarHBondContact O-CA 3.31Å; G168-R209 PolarHBondContact O-N 2.89Å
169	R	53	Low	49.6	Very low	98 Å²	98	46 Å²	46	37%	0.37	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	120.4	173.5	-173.4	174.7	179.6	-174.9	-1	109.2	G128 R129 R130 N171 R209	G128-R169 PolarHBondContact O-N 2.83Å; R129-R169 CarbonylContact C-O 3.57Å; R129-R169 VanDerWaalsContact CA-O 3.28Å; R129-R169 WeakPolarHBondContact CA-O 3.15Å; R129-R169 HydrophobicContact CG-CB 4.42Å; R130-R169 PolarHBondContact N-O 2.95Å; R169-N171 PolarHBondContact NE-OD1 3.14Å; R169-R209 CarbonylContact C-O 3.55Å; R169-R209 VanDerWaalsContact CA-O 3.28Å; R169-R209 WeakPolarHBondContact CA-O 3.3Å; R169-R209 HydrophobicContact CG-CB 4.35Å
170	R	57.7	Low	50.7	Low	20 Å²	20	45.3 Å²	45.3	8%	0.075	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	119.4	177.9	-56.7	176.3	-174	-164.6	11.2	108.1	R130 N150 S152 N190 S191 S192 R209 R210 N211	R130-R170 CarbonylContact O-C 3.59Å; R130-R170 WeakPolarHBondContact O-CA 3.28Å; N150-R170 HydrophobicContact CB-CB 4.38Å; N150-R170 VanDerWaalsContact O-CD 3.28Å; N150-R170 WeakPolarHBondContact O-CD 3.3Å; N150-R170 PolarHBondContact O-NH1 2.86Å; S152-R170 PolarHBondContact OG-NH2 2.93Å; R170-N190 HydrophobicContact CB-CB 4.11Å; R170-N190 WeakPolarHBondContact CB-OD1 3.39Å; R170-S191 PolarHBondContact NH1-O 3.3Å; R170-S192 VanDerWaalsContact NH2-CB 3.35Å; R170-R209 PolarHBondContact N-O 3.16Å; R170-R210 CarbonylContact O-C 3.55Å; R170-R210 WeakPolarHBondContact O-CA 3.43Å; R170-N211 PolarHBondContact O-N 2.99Å
171	N	57.6	Low	52.1	Low	29 Å²	29	40.6 Å²	40.6	16%	0.155	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	116	171.5	-49.9	-56.8	0	0	0	106.7	R130 N131 G132 N150 R169 N211	R130-N171 PolarHBondContact O-N 2.82Å; N131-N171 CarbonylContact C-O 3.6Å; N131-N171 WeakPolarHBondContact CA-O 3.42Å; N131-N171 PolarHBondContact OD1-ND2 3.01Å; G132-N171 PolarHBondContact N-O 2.89Å; N150-N171 PolarHBondContact ND2-O 3.25Å; R169-N171 PolarHBondContact NE-OD1 3.14Å; N171-N211 CarbonylContact C-O 3.6Å; N171-N211 WeakPolarHBondContact CA-O 3.41Å; N171-N211 WeakPolarHBondContact OD1-CB 3.39Å; N171-N211 PolarHBondContact OD1-ND2 2.96Å
172	G	59.9	Low	52.9	Low	1 Å²	1	42.3 Å²	42.3	1%	0.01	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	132.4	177.7	0	0	0	0	0	108.9	G132 N150 N211 G212 T213	G132-G172 CarbonylContact O-C 3.44Å; G132-G172 WeakPolarHBondContact O-CA 3.44Å; N150-G172 WeakPolarHBondContact ND2-CA 2.87Å; G172-N211 PolarHBondContact N-O 2.71Å; G172-G212 CarbonylContact O-C 3.55Å; G172-G212 WeakPolarHBondContact O-CA 3.44Å; G172-T213 PolarHBondContact O-N 2.84Å
173	T	61.4	Low	54.2	Low	55 Å²	55	37.4 Å²	37.4	34%	0.337	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	125	166.7	-54.9	0	0	0	0	107.3	G132 T133 L134 T213	G132-T173 PolarHBondContact O-N 3.08Å; T133-T173 CarbonylContact C-O 3.6Å; T133-T173 VanDerWaalsContact CA-O 3.24Å; T133-T173 WeakPolarHBondContact CA-O 3.14Å; L134-T173 PolarHBondContact N-O 3.47Å; T173-T213 CarbonylContact C-O 3.59Å; T173-T213 VanDerWaalsContact CA-O 3.25Å; T173-T213 WeakPolarHBondContact CA-O 3.13Å
174	L	59.1	Low	55	Low	0 Å²	0	37.3 Å²	37.3	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	126.7	171.8	-180	161.2	0	0	0	107.9	L134 I147 M149 L177 I187 M189 T213 L214 S215 L217	L134-L174 HydrophobicContact CB-CB 4.44Å; L134-L174 HydrophobicContact CB-CD1 4.49Å; L134-L174 HydrophobicContact CB-CG 4.15Å; L134-L174 HydrophobicContact CD2-CD1 3.81Å; L134-L174 HydrophobicContact CD2-CG 4.14Å; L134-L174 HydrophobicContact CG-CG 4.47Å; L134-L174 CarbonylContact O-C 3.51Å; L134-L174 VanDerWaalsContact O-CA 3.28Å; L134-L174 WeakPolarHBondContact O-CA 3.43Å; I147-L174 HydrophobicContact CD1-CD1 4.35Å; I147-L174 HydrophobicContact CG2-CD1 3.97Å; M149-L174 HydrophobicContact CE-CB 4.1Å; M149-L174 HydrophobicContact CE-CD1 4.46Å; L174-L177 HydrophobicContact CD1-CD1 4.42Å; L174-L177 HydrophobicContact CD2-CD1 3.7Å; L174-L177 HydrophobicContact CD2-CD2 3.93Å; L174-L177 HydrophobicContact CD2-CG 3.61Å; L174-L177 HydrophobicContact CG-CD2 4.41Å; L174-I187 HydrophobicContact CD1-CD1 4.38Å; L174-I187 HydrophobicContact CD1-CG2 3.71Å; L174-I187 HydrophobicContact CD2-CD1 4.49Å; L174-M189 HydrophobicContact CB-CE 3.24Å; L174-M189 HydrophobicContact CD1-CE 4.27Å; L174-M189 HydrophobicContact CG-CE 4.39Å; L174-T213 PolarHBondContact N-O 3.33Å; L174-L214 HydrophobicContact CB-CD1 4.48Å; L174-L214 HydrophobicContact CD1-CD1 4.46Å; L174-L214 HydrophobicContact CD2-CD1 3.92Å; L174-L214 HydrophobicContact CD2-CG 4.04Å; L174-L214 CarbonylContact O-C 3.55Å; L174-L214 VanDerWaalsContact O-CA 3.29Å; L174-L214 WeakPolarHBondContact O-CA 3.46Å; L174-S215 PolarHBondContact O-N 3.14Å; L174-L217 HydrophobicContact CD2-CD2 3.82Å
175	S	65.8	Low	56	Low	35 Å²	35	37.5 Å²	37.5	25%	0.245	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	150	-179.3	59.7	0	0	0	0	116.8	L134 S135 G136 S215	L134-S175 PolarHBondContact O-N 3.11Å; S135-S175 CarbonylContact C-O 3.58Å; S135-S175 WeakPolarHBondContact CA-O 3.2Å; S135-S175 VanDerWaalsContact CB-O 3.29Å; S135-S175 WeakPolarHBondContact CB-O 3.47Å; G136-S175 PolarHBondContact N-O 3.46Å; G136-S175 VanDerWaalsContact N-O 3.11Å; S175-S215 CarbonylContact C-O 3.51Å; S175-S215 WeakPolarHBondContact CA-O 3.44Å; S175-S215 WeakPolarHBondContact CB-O 3.4Å
176	G	51.6	Low	56.8	Low	35 Å²	35	33.8 Å²	33.8	36%	0.361	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	68.7	57.6	178.5	0	0	0	0	0	111.2	G136 L137 S215 G216	G136-G176 CarbonylContact C-O 3.58Å; G136-G176 WeakPolarHBondContact CA-O 3.46Å; G136-G176 PolarHBondContact N-O 2.71Å; L137-G176 PolarHBondContact N-O 3Å; G176-S215 PolarHBondContact N-O 2.95Å; G176-S215 VanDerWaalsContact N-O 3.14Å; G176-G216 CarbonylContact C-O 3.58Å; G176-G216 WeakPolarHBondContact CA-O 3.42Å; G176-G216 PolarHBondContact N-O 3.15Å
177	L	63.5	Low	57.5	Low	8 Å²	8	33.6 Å²	33.6	4%	0.042	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	122.9	159.8	-44.1	-172.9	0	0	0	107.1	L137 I147 L174 I185 I187 G216 L217 S218	L137-L177 HydrophobicContact CB-CD2 3.49Å; L137-L177 VanDerWaalsContact CB-CD2 3.49Å; L137-L177 HydrophobicContact CD1-CD2 3.37Å; L137-L177 HydrophobicContact CG-CD2 3.36Å; L137-L177 CarbonylContact O-C 3.56Å; L137-L177 VanDerWaalsContact O-CA 3.24Å; L137-L177 WeakPolarHBondContact O-CA 3.42Å; I147-L177 HydrophobicContact CD1-CD1 3.75Å; I147-L177 HydrophobicContact CD1-CD2 4.4Å; L174-L177 HydrophobicContact CD1-CD1 4.42Å; L174-L177 HydrophobicContact CD2-CD1 3.7Å; L174-L177 HydrophobicContact CD2-CD2 3.93Å; L174-L177 HydrophobicContact CD2-CG 3.61Å; L174-L177 HydrophobicContact CG-CD2 4.41Å; L177-I185 HydrophobicContact CD1-CG2 4.48Å; L177-I187 HydrophobicContact CD1-CD1 3.54Å; L177-I187 HydrophobicContact CD1-CG1 4.41Å; L177-G216 PolarHBondContact N-O 3.47Å; L177-L217 HydrophobicContact CB-CD2 3.54Å; L177-L217 HydrophobicContact CD1-CD2 3.51Å; L177-L217 HydrophobicContact CG-CD2 3.32Å; L177-L217 CarbonylContact O-C 3.55Å; L177-L217 VanDerWaalsContact O-CA 3.26Å; L177-L217 WeakPolarHBondContact O-CA 3.32Å; L177-S218 PolarHBondContact O-N 3.45Å
178	S	58.4	Low	58.3	Low	51 Å²	51	33.4 Å²	33.4	36%	0.357	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	138.2	172.5	58.9	0	0	0	0	109.5	L137 S138 G139 S218	L137-S178 PolarHBondContact O-N 2.85Å; S138-S178 VanDerWaalsContact CA-O 3.29Å; S138-S178 WeakPolarHBondContact CA-O 3.18Å; S138-S178 WeakPolarHBondContact CB-OG 3.4Å; G139-S178 PolarHBondContact N-O 3.38Å; S178-S218 CarbonylContact C-O 3.49Å; S178-S218 VanDerWaalsContact CA-O 3.28Å; S178-S218 WeakPolarHBondContact CA-O 3.48Å; S178-S218 WeakPolarHBondContact CB-OG 3.4Å
179	G	57.4	Low	58.9	Low	6 Å²	6	32.2 Å²	32.2	6%	0.062	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	149	171.1	0	0	0	0	0	110.8	G139 Q183 S218 G219 E220 Q223	G139-G179 VanDerWaalsContact O-CA 3.3Å; G139-G179 WeakPolarHBondContact O-CA 3.24Å; G179-Q183 VanDerWaalsContact CA-NE2 3.32Å; G179-S218 PolarHBondContact N-O 2.89Å; G179-G219 VanDerWaalsContact O-CA 3.29Å; G179-G219 WeakPolarHBondContact O-CA 3.3Å; G179-E220 PolarHBondContact O-N 2.8Å; G179-E220 VanDerWaalsContact O-N 3.17Å; G179-Q223 PolarHBondContact O-NE2 2.6Å
180	E	58.7	Low	59.5	Low	73 Å²	73	27.6 Å²	27.6	34%	0.341	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	-84.6	173.5	-61.9	176.1	178.5	0	0	109.5	G139 E140 E220 N221 Q223	G139-E180 PolarHBondContact O-N 2.91Å; G139-E180 VanDerWaalsContact O-N 3.17Å; E140-E180 PolarHBondContact O-N 2.92Å; E180-E220 WeakPolarHBondContact O-CB 2.95Å; E180-E220 PolarHBondContact O-N 2.95Å; E180-N221 PolarHBondContact O-N 3.06Å; E180-Q223 PolarHBondContact O-NE2 3.29Å
181	N	63	Low	59.6	Low	54 Å²	54	27.2 Å²	27.2	29%	0.289	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	135.2	-168.2	-53.7	-60	0	0	0	115.2	E140 N141 G142 Q183 N221	E140-N181 PolarHBondContact O-N 3.48Å; E140-N181 VanDerWaalsContact O-N 3.08Å; N141-N181 WeakPolarHBondContact CA-O 3.24Å; N141-N181 VanDerWaalsContact OD1-CB 3.3Å; N141-N181 WeakPolarHBondContact OD1-CB 2.99Å; N141-N181 PolarHBondContact OD1-ND2 2.83Å; G142-N181 PolarHBondContact N-O 3.43Å; N181-Q183 VanDerWaalsContact C-N 3.31Å; N181-Q183 PolarHBondContact O-N 3.2Å; N181-N221 WeakPolarHBondContact CA-O 2.91Å; N181-N221 VanDerWaalsContact OD1-CB 3.31Å; N181-N221 WeakPolarHBondContact OD1-CB 3.22Å; N181-N221 PolarHBondContact OD1-ND2 3.49Å
182	G	53.3	Low	59.5	Low	42 Å²	42	26.2 Å²	26.2	43%	0.433	17%	0.165	S	C	.	.	S	Bend	trans	67.3	21.8	161.6	0	0	0	0	0	116	N221	G182-N221 PolarHBondContact N-O 3.04Å
183	Q	62.3	Low	59.2	Low	1 Å²	1	26.9 Å²	26.9	1%	0.005	17%	0.173	C	C	.	.			trans	-81.1	144	-177.5	-60.9	178.8	14.2	0	0	112.4	G139 E140 Q143 G179 N181 I185 Q223 V224	G139-Q183 PolarHBondContact O-NE2 3.46Å; E140-Q183 PolarHBondContact O-NE2 3.36Å; Q143-Q183 HydrophobicContact CB-CG 4.29Å; Q143-Q183 VanDerWaalsContact O-CA 3.29Å; Q143-Q183 WeakPolarHBondContact O-CA 3.26Å; G179-Q183 VanDerWaalsContact CA-NE2 3.32Å; N181-Q183 VanDerWaalsContact C-N 3.31Å; N181-Q183 PolarHBondContact O-N 3.2Å; Q183-I185 HydrophobicContact CB-CG1 4.3Å; Q183-Q223 HydrophobicContact CB-CG 4.22Å; Q183-Q223 CarbonylContact O-C 3.58Å; Q183-Q223 VanDerWaalsContact O-CA 3.28Å; Q183-Q223 WeakPolarHBondContact O-CA 3.27Å; Q183-V224 PolarHBondContact O-N 3.33Å
184	V	59.1	Low	58.5	Low	38 Å²	38	24.4 Å²	24.4	23%	0.23	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	115.2	170	-172.8	0	0	0	0	109.3	Q143 V144 I145 Y186 V224 Y226	Q143-V184 PolarHBondContact O-N 3.02Å; V144-V184 CarbonylContact C-O 3.6Å; V144-V184 WeakPolarHBondContact CA-O 3.09Å; V144-V184 HydrophobicContact CG1-CB 4.35Å; V144-V184 HydrophobicContact CG2-CB 4.43Å; I145-V184 PolarHBondContact N-O 3.18Å; V184-Y186 HydrophobicContact CB-CE2 4.39Å; V184-Y186 HydrophobicContact CG1-CD2 4.11Å; V184-Y186 HydrophobicContact CG1-CE2 3.34Å; V184-V224 CarbonylContact C-O 3.5Å; V184-V224 WeakPolarHBondContact CA-O 3.15Å; V184-V224 HydrophobicContact CG1-CB 4.39Å; V184-V224 HydrophobicContact CG2-CB 4.46Å; V184-Y226 HydrophobicContact CG1-CE2 4.3Å
185	I	58.6	Low	57.8	Low	6 Å²	6	28 Å²	28	3%	0.031	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	120	-172.9	-51.3	177.8	0	0	0	110.2	I145 L177 Q183 I187 V224 I225 Y226	I145-I185 HydrophobicContact CB-CG1 4.43Å; I145-I185 HydrophobicContact CB-CG2 4.32Å; I145-I185 HydrophobicContact CD1-CG1 4.46Å; I145-I185 CarbonylContact O-C 3.59Å; I145-I185 WeakPolarHBondContact O-CA 3.23Å; L177-I185 HydrophobicContact CD1-CG2 4.48Å; Q183-I185 HydrophobicContact CB-CG1 4.3Å; I185-I187 HydrophobicContact CG2-CD1 4.04Å; I185-I187 HydrophobicContact CG2-CG1 3.69Å; I185-V224 PolarHBondContact N-O 2.53Å; I185-I225 HydrophobicContact CB-CG2 4.33Å; I185-I225 CarbonylContact O-C 3.57Å; I185-I225 WeakPolarHBondContact O-CA 3.49Å; I185-Y226 PolarHBondContact O-N 2.8Å
186	Y	57.6	Low	56.5	Low	80 Å²	80	26.5 Å²	26.5	31%	0.314	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	107.4	174.3	-63	-88	0	0	0	110.3	V144 I145 Y146 I147 V184 Y226	V144-Y186 HydrophobicContact CG1-CD2 4.4Å; V144-Y186 HydrophobicContact CG1-CE2 4.2Å; I145-Y186 PolarHBondContact O-N 2.78Å; Y146-Y186 AromaticContact CD1-CD2 3.6Å; Y146-Y186 HydrophobicContact CD1-CD2 3.6Å; Y146-Y186 HydrophobicContact CD1-CE2 4.46Å; Y146-Y186 AromaticContact CD1-CG 3.82Å; Y146-Y186 HydrophobicContact CD1-CG 3.82Å; Y146-Y186 AromaticContact CE1-CD2 3.18Å; Y146-Y186 HydrophobicContact CE1-CD2 3.18Å; Y146-Y186 AromaticContact CE1-CE2 3.62Å; Y146-Y186 HydrophobicContact CE1-CE2 3.62Å; Y146-Y186 AromaticContact CE1-CG 3.69Å; Y146-Y186 HydrophobicContact CE1-CG 3.69Å; Y146-Y186 HydrophobicContact CG-CD2 4.41Å; Y146-Y186 AromaticContact CZ-CD2 3.73Å; Y146-Y186 AromaticContact CZ-CE2 3.84Å; I147-Y186 PolarHBondContact N-O 3.46Å; V184-Y186 HydrophobicContact CB-CE2 4.39Å; V184-Y186 HydrophobicContact CG1-CD2 4.11Å; V184-Y186 HydrophobicContact CG1-CE2 3.34Å; Y186-Y226 AromaticContact CD1-CD2 3.6Å; Y186-Y226 HydrophobicContact CD1-CD2 3.6Å; Y186-Y226 HydrophobicContact CD1-CE2 4.45Å; Y186-Y226 AromaticContact CD1-CG 3.85Å; Y186-Y226 HydrophobicContact CD1-CG 3.85Å; Y186-Y226 AromaticContact CE1-CD2 3.21Å; Y186-Y226 HydrophobicContact CE1-CD2 3.21Å; Y186-Y226 AromaticContact CE1-CE2 3.63Å; Y186-Y226 HydrophobicContact CE1-CE2 3.63Å; Y186-Y226 AromaticContact CE1-CG 3.74Å; Y186-Y226 HydrophobicContact CE1-CG 3.74Å; Y186-Y226 HydrophobicContact CG-CD2 4.41Å; Y186-Y226 AromaticContact CZ-CD2 3.78Å; Y186-Y226 AromaticContact CZ-CE2 3.88Å
187	I	56.9	Low	55.6	Low	1 Å²	1	30.2 Å²	30.2	1%	0.005	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	114.6	179.1	-50.7	-179.9	0	0	0	109.8	I147 L174 L177 I185 L214 L217 Y226 I227 T228	I147-I187 HydrophobicContact CD1-CG1 4.37Å; L174-I187 HydrophobicContact CD1-CD1 4.38Å; L174-I187 HydrophobicContact CD1-CG2 3.71Å; L174-I187 HydrophobicContact CD2-CD1 4.49Å; L177-I187 HydrophobicContact CD1-CD1 3.54Å; L177-I187 HydrophobicContact CD1-CG1 4.41Å; I185-I187 HydrophobicContact CG2-CD1 4.04Å; I185-I187 HydrophobicContact CG2-CG1 3.69Å; I187-L214 HydrophobicContact CD1-CD1 4.01Å; I187-L214 HydrophobicContact CG2-CD1 4.01Å; I187-L217 HydrophobicContact CD1-CD1 3.83Å; I187-L217 HydrophobicContact CD1-CD2 4.32Å; I187-Y226 PolarHBondContact N-O 2.77Å; I187-I227 HydrophobicContact CD1-CG1 4.37Å; I187-T228 PolarHBondContact O-N 3.13Å
188	T	61.2	Low	54.5	Low	44 Å²	44	30 Å²	30	27%	0.27	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	103.8	172	-64.4	0	0	0	0	109.8	I147 T148 M149 S191 T228	I147-T188 PolarHBondContact O-N 2.81Å; T148-T188 WeakPolarHBondContact CA-O 3.01Å; M149-T188 PolarHBondContact N-O 2.73Å; T188-S191 VanDerWaalsContact CG2-CB 3.44Å; T188-T228 WeakPolarHBondContact CA-O 3.28Å
189	M	61.6	Low	53.4	Low	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	132.4	-178.6	-169.2	-164.5	-66.7	0	0	112	M149 L174 S191 L214 T228 M229 N230	M149-M189 HydrophobicContact CB-CG 4.39Å; M149-M189 HydrophobicContact SD-CE 4.43Å; M149-M189 HydrophobicContact SD-CG 4.16Å; L174-M189 HydrophobicContact CB-CE 3.24Å; L174-M189 HydrophobicContact CD1-CE 4.27Å; L174-M189 HydrophobicContact CG-CE 4.39Å; M189-S191 PolarHBondContact O-N 3.09Å; M189-S191 VanDerWaalsContact O-N 3.13Å; M189-S191 PolarHBondContact O-OG 3.18Å; M189-L214 HydrophobicContact CE-CB 4.25Å; M189-L214 HydrophobicContact CE-CD1 4.32Å; M189-T228 PolarHBondContact N-O 3.08Å; M189-M229 HydrophobicContact CB-CG 4.2Å; M189-M229 HydrophobicContact CE-SD 4.38Å; M189-M229 HydrophobicContact SD-SD 4.23Å; M189-N230 PolarHBondContact O-N 2.99Å
190	N	64.2	Low	52.3	Low	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.201	C	C	.	.	S	Bend	trans	54.6	32	175	-59.2	-37.5	0	0	0	112.5	M149 N150 R170 R210 N211 G212 N230	M149-N190 PolarHBondContact O-N 3.13Å; N150-N190 VanDerWaalsContact CB-OD1 3.25Å; N150-N190 WeakPolarHBondContact CB-OD1 3.29Å; N150-N190 PolarHBondContact ND2-OD1 2.69Å; R170-N190 HydrophobicContact CB-CB 4.11Å; R170-N190 WeakPolarHBondContact CB-OD1 3.39Å; N190-R210 HydrophobicContact CB-CB 4.36Å; N190-R210 VanDerWaalsContact O-CD 3.26Å; N190-R210 WeakPolarHBondContact O-CD 3.47Å; N190-R210 PolarHBondContact O-NH1 3.22Å; N190-N211 PolarHBondContact ND2-O 2.71Å; N190-G212 WeakPolarHBondContact ND2-CA 3.48Å; N190-N230 VanDerWaalsContact CB-OD1 3.25Å; N190-N230 WeakPolarHBondContact CB-OD1 3.49Å; N190-N230 PolarHBondContact ND2-OD1 3.21Å; N190-N230 VanDerWaalsContact ND2-OD1 3.13Å
191	S	59.5	Low	51.1	Low	13 Å²	13	36.4 Å²	36.4	9%	0.091	19%	0.188	C	C	.	.			trans	-96.2	147.5	-175.1	-67.8	0	0	0	0	111.8	S151 S152 R170 T188 M189 T228 S231	S151-S191 VanDerWaalsContact CA-O 3.23Å; S151-S191 WeakPolarHBondContact CA-O 3.48Å; S152-S191 PolarHBondContact N-O 3.25Å; S152-S191 VanDerWaalsContact N-O 3.11Å; R170-S191 PolarHBondContact NH1-O 3.3Å; T188-S191 VanDerWaalsContact CG2-CB 3.44Å; M189-S191 PolarHBondContact O-N 3.09Å; M189-S191 VanDerWaalsContact O-N 3.13Å; M189-S191 PolarHBondContact O-OG 3.18Å; S191-T228 PolarHBondContact OG-O 2.99Å; S191-S231 CarbonylContact C-O 3.59Å; S191-S231 WeakPolarHBondContact CA-O 3.27Å; S191-S231 WeakPolarHBondContact CB-O 2.81Å; S191-S231 PolarHBondContact OG-N 2.79Å
192	S	56.5	Low	49.8	Very low	7 Å²	7	39.5 Å²	39.5	5%	0.049	20%	0.199	C	C	.	.	B	Isolated β-bridge	trans	-144.8	137.5	175.7	88.2	0	0	0	0	112.7	S152 R170 L206 R210 S231 S232 G233	S152-S192 WeakPolarHBondContact O-CA 3.09Å; S152-S192 WeakPolarHBondContact O-CB 3.15Å; R170-S192 VanDerWaalsContact NH2-CB 3.35Å; S192-L206 WeakPolarHBondContact OG-CD1 3.28Å; S192-R210 PolarHBondContact OG-NH2 3.43Å; S192-S231 PolarHBondContact N-O 2.85Å; S192-S232 WeakPolarHBondContact O-CA 2.9Å; S192-S232 WeakPolarHBondContact O-CB 2.77Å; S192-G233 PolarHBondContact O-N 2.87Å
193	G	54	Low	49.2	Very low	16 Å²	16	39.3 Å²	39.3	17%	0.165	19%	0.19	C	C	.	.			trans	-179.1	130.5	179.3	0	0	0	0	0	108.5	S152 G153 G233	S152-G193 PolarHBondContact O-N 2.96Å; G153-G193 VanDerWaalsContact CA-O 3.3Å; G153-G193 WeakPolarHBondContact CA-O 3.22Å; G193-G233 VanDerWaalsContact CA-O 3.26Å; G193-G233 WeakPolarHBondContact CA-O 3.44Å
194	P	47.2	Very low	48.1	Very low	3 Å²	3	39.2 Å²	39.2	2%	0.019	19%	0.19	C	C	.	.			trans	-69.4	134	166.1	29	-31	0	0	0	109.1	P154 P234 N235	P154-P194 HydrophobicContact CG-CB 3.88Å; P154-P194 VanDerWaalsContact O-CA 3.28Å; P154-P194 WeakPolarHBondContact O-CA 3.32Å; P194-P234 HydrophobicContact CG-CB 3.8Å; P194-P234 VanDerWaalsContact O-CA 3.31Å; P194-P234 WeakPolarHBondContact O-CA 3.43Å; P194-N235 PolarHBondContact O-N 2.86Å
195	N	44.2	Very low	47.2	Very low	75 Å²	75	44.2 Å²	44.2	40%	0.401	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	116.8	159.2	-69.9	-12.2	0	0	0	106.1	P154 N155 S156 N235	P154-N195 PolarHBondContact O-N 3.06Å; N155-N195 VanDerWaalsContact CA-O 3.32Å; N155-N195 WeakPolarHBondContact CA-O 3.41Å; N155-N195 WeakPolarHBondContact OD1-CB 3.1Å; S156-N195 PolarHBondContact N-O 2.66Å; N195-N235 WeakPolarHBondContact OD1-CB 3.47Å
196	S	37.6	Very low	46.4	Very low	3 Å²	3	44.2 Å²	44.2	2%	0.021	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	144	-172.1	35.3	0	0	0	0	113.1	S156 H198 N235 H238	S156-S196 VanDerWaalsContact O-CA 3.3Å; S156-S196 WeakPolarHBondContact O-CA 3.2Å; S196-H198 WeakPolarHBondContact CB-CD2 3.44Å; S196-H198 WeakPolarHBondContact CB-NE2 3.45Å; S196-N235 PolarHBondContact N-O 3.19Å; S196-H238 PolarHBondContact O-NE2 3.26Å
197	Y	32.9	Very low	45.9	Very low	113 Å²	113	43 Å²	43	44%	0.443	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	95.5	175.3	-65.6	-90.3	0	0	0	110.6	S156 Y157 H158 H237 H238	S156-Y197 PolarHBondContact O-N 2.81Å; Y157-Y197 AromaticContact CD1-CD2 3.62Å; Y157-Y197 HydrophobicContact CD1-CD2 3.62Å; Y157-Y197 AromaticContact CD1-CG 3.95Å; Y157-Y197 HydrophobicContact CD1-CG 3.95Å; Y157-Y197 AromaticContact CE1-CD2 3.09Å; Y157-Y197 HydrophobicContact CE1-CD2 3.09Å; Y157-Y197 AromaticContact CE1-CE2 3.62Å; Y157-Y197 HydrophobicContact CE1-CE2 3.62Å; Y157-Y197 AromaticContact CE1-CG 3.79Å; Y157-Y197 HydrophobicContact CE1-CG 3.79Å; Y157-Y197 AromaticContact CZ-CD2 3.78Å; H158-Y197 PolarHBondContact N-O 3Å; Y197-H237 HydrophobicContact CD1-CB 4.27Å; Y197-H237 HydrophobicContact CE1-CB 4.26Å; Y197-H237 AromaticContact CE1-CD2 3.46Å; Y197-H237 VanDerWaalsContact CE1-CD2 3.46Å; Y197-H237 WeakPolarHBondContact CE1-CD2 3.28Å; Y197-H238 WeakPolarHBondContact CA-CE1 3.26Å; Y197-H238 WeakPolarHBondContact CA-NE2 3.25Å
198	H	41.2	Very low	45.5	Very low	4 Å²	4	44.2 Å²	44.2	2%	0.019	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	132.4	-172.1	-56.9	-45	0	0	0	119.3	S156 H158 S196 R200 H238	S156-H198 VanDerWaalsContact C-CE1 3.41Å; S156-H198 PolarHBondContact O-CE1 2.91Å; S156-H198 PolarHBondContact O-NE2 2.64Å; H158-H198 WeakPolarHBondContact CA-ND1 3.2Å; H158-H198 VanDerWaalsContact CB-CE1 3.47Å; H158-H198 WeakPolarHBondContact CB-CE1 2.88Å; H158-H198 WeakPolarHBondContact CB-ND1 3.22Å; H158-H198 AromaticContact CD2-CE1 3.58Å; H158-H198 AromaticContact CG-CE1 3.84Å; H158-H198 PolarHBondContact N-CE1 3.01Å; H158-H198 PolarHBondContact N-ND1 2.68Å; H158-H198 WeakPolarHBondContact O-CA 3.48Å; H158-H198 WeakPolarHBondContact O-CB 3.27Å; H158-H198 PolarHBondContact O-ND1 2.77Å; S196-H198 WeakPolarHBondContact CB-CD2 3.44Å; S196-H198 WeakPolarHBondContact CB-NE2 3.45Å; H198-R200 PolarHBondContact O-N 2.78Å; H198-H238 VanDerWaalsContact C-ND1 3.27Å; H198-H238 PolarHBondContact N-CD2 3.06Å; H198-H238 PolarHBondContact N-CE1 3.18Å; H198-H238 PolarHBondContact N-ND1 3.46Å; H198-H238 PolarHBondContact N-NE2 3.49Å; H198-H238 WeakPolarHBondContact O-CB 3.08Å; H198-H238 PolarHBondContact O-ND1 3.49Å
199	N	34.6	Very low	45.2	Very low	100 Å²	100	47 Å²	47	54%	0.535	23%	0.226	S	C	.	.	S	Bend	trans	-66.2	-25.2	172.8	-91.3	-39.5	0	0	0	116.1	N159	N159-N199 PolarHBondContact OD1-ND2 3.32Å
200	R	34	Very low	45	Very low	151 Å²	151	47.9 Å²	47.9	57%	0.57	23%	0.229	S	C	*	.	S	Bend	trans	-150.1	117.4	178.2	-94	-177.2	-95.2	-169.3	-6.3	110.9	N159 Y161 H198	N159-R200 PolarHBondContact O-N 3.46Å; Y161-R200 PolarHBondContact N-O 3.15Å; H198-R200 PolarHBondContact O-N 2.78Å
201	Y	34	Very low	44.7	Very low	13 Å²	13	49.3 Å²	49.3	5%	0.051	24%	0.237	C	C	.	.	B	Isolated β-bridge	trans	-123.8	129.6	-172.9	-179.9	-94.9	0	0	0	112.9	Y161 T204 F241	Y161-Y201 AromaticContact CD1-CD2 3.77Å; Y161-Y201 HydrophobicContact CD1-CD2 3.77Å; Y161-Y201 AromaticContact CD1-CE2 3.54Å; Y161-Y201 HydrophobicContact CD1-CE2 3.54Å; Y161-Y201 AromaticContact CE1-CE2 3.85Å; Y161-Y201 HydrophobicContact CE1-CE2 3.85Å; Y201-T204 WeakPolarHBondContact OH-CB 3.46Å; Y201-T204 PolarHBondContact OH-N 3.07Å; Y201-T204 PolarHBondContact OH-OG1 2.72Å; Y201-F241 AromaticContact CD1-CD2 3.36Å; Y201-F241 HydrophobicContact CD1-CD2 3.36Å; Y201-F241 AromaticContact CD1-CE2 3.14Å; Y201-F241 HydrophobicContact CD1-CE2 3.14Å; Y201-F241 HydrophobicContact CD1-CZ 4.29Å; Y201-F241 HydrophobicContact CE1-CD2 4.01Å; Y201-F241 AromaticContact CE1-CE2 3.29Å; Y201-F241 HydrophobicContact CE1-CE2 3.29Å; Y201-F241 HydrophobicContact CE1-CZ 4.11Å; Y201-F241 AromaticContact CG-CD2 3.95Å; Y201-F241 HydrophobicContact CG-CD2 3.95Å; Y201-F241 AromaticContact CG-CE2 3.93Å; Y201-F241 HydrophobicContact CG-CE2 3.93Å
202	F	36.2	Very low	44.8	Very low	120 Å²	120	48.7 Å²	48.7	53%	0.526	23%	0.233	S	C	.	.			trans	-96.4	141.7	165.1	-67	-82.3	0	0	0	110.7	Y161 F162 P163	Y161-F202 PolarHBondContact O-N 3.13Å; F162-F202 HydrophobicContact CD1-CD2 4.05Å; F162-F202 HydrophobicContact CD1-CE2 4.47Å; F162-F202 HydrophobicContact CE1-CD2 4.03Å; F162-F202 AromaticContact CE1-CE2 3.98Å; F162-F202 HydrophobicContact CE1-CE2 3.98Å; P163-F202 VanDerWaalsContact CB-O 3.28Å; P163-F202 WeakPolarHBondContact CB-O 3.42Å; P163-F202 VanDerWaalsContact CD-CB 3.44Å; P163-F202 VanDerWaalsContact CD-O 3.28Å; P163-F202 WeakPolarHBondContact CD-O 3.13Å; P163-F202 HydrophobicContact CG-CB 3.96Å; P163-F202 WeakPolarHBondContact CG-O 3.31Å
203	P	39.3	Very low	45.1	Very low	37 Å²	37	50.9 Å²	50.9	24%	0.24	25%	0.246	C	C	.	.			trans	-66.3	123.8	-168.8	9.4	-19.5	0	0	0	119.2	P163 R205 S242 P244	P163-P203 VanDerWaalsContact CB-O 3.23Å; P163-P203 WeakPolarHBondContact CB-O 3.1Å; P163-P203 VanDerWaalsContact CG-C 3.47Å; P163-P203 WeakPolarHBondContact CG-O 3.19Å; P203-R205 PolarHBondContact O-N 3.19Å; P203-R205 VanDerWaalsContact O-N 3.13Å; P203-S242 WeakPolarHBondContact CB-O 2.95Å; P203-S242 VanDerWaalsContact CD-O 3.23Å; P203-S242 WeakPolarHBondContact CD-O 2.95Å; P203-S242 VanDerWaalsContact CG-O 3.28Å; P203-S242 WeakPolarHBondContact CG-O 3.49Å; P203-P244 HydrophobicContact CB-CB 3.49Å; P203-P244 VanDerWaalsContact CB-CB 3.49Å; P203-P244 HydrophobicContact CB-CG 4.24Å; P203-P244 VanDerWaalsContact CB-N 3.34Å
204	T	39.3	Very low	45.4	Very low	0 Å²	0	50.1 Å²	50.1	0%	0	24%	0.238	C	C	.	.			trans	-69.5	94	168.5	-63.9	0	0	0	0	113.2	P163 T164 L166 Y201 L206 P244	P163-T204 WeakPolarHBondContact CB-OG1 3.17Å; T164-T204 WeakPolarHBondContact O-CB 3.25Å; T164-T204 WeakPolarHBondContact O-CG2 3.2Å; L166-T204 HydrophobicContact CD1-CG2 4.22Å; L166-T204 HydrophobicContact CG-CG2 4.11Å; Y201-T204 WeakPolarHBondContact OH-CB 3.46Å; Y201-T204 PolarHBondContact OH-N 3.07Å; Y201-T204 PolarHBondContact OH-OG1 2.72Å; T204-L206 HydrophobicContact CG2-CD2 3.54Å; T204-L206 PolarHBondContact O-N 2.99Å; T204-P244 WeakPolarHBondContact O-CB 3.48Å; T204-P244 WeakPolarHBondContact O-CG 3.33Å
205	R	40.5	Very low	46.2	Very low	142 Å²	142	51.5 Å²	51.5	54%	0.536	25%	0.248	S	C	.	.			trans	-55.8	107.2	173.8	-68.7	-168	-178.8	-176.9	1.9	110.1	L166 P203 P245	L166-R205 PolarHBondContact N-O 3.22Å; P203-R205 PolarHBondContact O-N 3.19Å; P203-R205 VanDerWaalsContact O-N 3.13Å; R205-P245 HydrophobicContact CG-CG 3.99Å
206	L	42.6	Very low	46.6	Very low	6 Å²	6	49.5 Å²	49.5	3%	0.031	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	109.5	170.8	-47.9	-178.9	0	0	0	107.1	L166 S192 T204 L246 S247	L166-L206 HydrophobicContact CB-CD2 3.6Å; L166-L206 HydrophobicContact CD1-CD2 3.41Å; L166-L206 VanDerWaalsContact CD1-CD2 3.41Å; L166-L206 HydrophobicContact CG-CD2 3.86Å; S192-L206 WeakPolarHBondContact OG-CD1 3.28Å; T204-L206 HydrophobicContact CG2-CD2 3.54Å; T204-L206 PolarHBondContact O-N 2.99Å; L206-L246 HydrophobicContact CB-CD2 3.55Å; L206-L246 HydrophobicContact CD1-CD2 3.38Å; L206-L246 HydrophobicContact CG-CD2 3.45Å; L206-L246 VanDerWaalsContact CG-CD2 3.45Å; L206-S247 PolarHBondContact O-N 2.88Å; L206-S247 VanDerWaalsContact O-N 3.08Å
207	S	46.7	Very low	47.9	Very low	54 Å²	54	49.7 Å²	49.7	38%	0.378	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	145.5	174.2	68.6	0	0	0	0	111.7	L166 S167 G168 S247	L166-S207 PolarHBondContact O-N 3.05Å; S167-S207 VanDerWaalsContact CA-O 3.23Å; S167-S207 WeakPolarHBondContact CA-O 3.42Å; G168-S207 PolarHBondContact N-O 2.92Å; S207-S247 WeakPolarHBondContact CA-O 3.08Å
208	G	49.2	Very low	49.1	Very low	27 Å²	27	46.6 Å²	46.6	28%	0.278	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	157.8	174.2	177	0	0	0	0	0	116.5	G168 S247 G248 R249	G168-G208 CarbonylContact O-C 3.59Å; G168-G208 WeakPolarHBondContact O-CA 3.31Å; G208-S247 PolarHBondContact N-O 3.13Å; G208-G248 CarbonylContact O-C 3.57Å; G208-G248 WeakPolarHBondContact O-CA 3.21Å; G208-R249 PolarHBondContact O-N 3.48Å
209	R	53.8	Low	49.9	Very low	104 Å²	104	46.7 Å²	46.7	39%	0.392	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	122.7	174.6	-174.1	174.7	-178	-176.7	0.6	109.2	G168 R169 R170 N211 R249	G168-R209 PolarHBondContact O-N 2.89Å; R169-R209 CarbonylContact C-O 3.55Å; R169-R209 VanDerWaalsContact CA-O 3.28Å; R169-R209 WeakPolarHBondContact CA-O 3.3Å; R169-R209 HydrophobicContact CG-CB 4.35Å; R170-R209 PolarHBondContact N-O 3.16Å; R209-N211 PolarHBondContact NE-ND2 2.67Å; R209-N211 PolarHBondContact NE-OD1 3.17Å; R209-R249 CarbonylContact C-O 3.58Å; R209-R249 VanDerWaalsContact CA-O 3.27Å; R209-R249 WeakPolarHBondContact CA-O 3.38Å; R209-R249 HydrophobicContact CG-CB 4.26Å
210	R	57.9	Low	51.1	Low	18 Å²	18	45.4 Å²	45.4	7%	0.068	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	118.8	177.4	-58.3	174.2	-174.4	-160.5	13.1	108	R170 N190 S192 N230 S231 S232 R249 R250 N251	R170-R210 CarbonylContact O-C 3.55Å; R170-R210 WeakPolarHBondContact O-CA 3.43Å; N190-R210 HydrophobicContact CB-CB 4.36Å; N190-R210 VanDerWaalsContact O-CD 3.26Å; N190-R210 WeakPolarHBondContact O-CD 3.47Å; N190-R210 PolarHBondContact O-NH1 3.22Å; S192-R210 PolarHBondContact OG-NH2 3.43Å; R210-N230 HydrophobicContact CB-CB 4.1Å; R210-N230 WeakPolarHBondContact CB-OD1 3.07Å; R210-S231 PolarHBondContact NH1-O 2.85Å; R210-S232 VanDerWaalsContact NH2-CB 3.32Å; R210-R249 PolarHBondContact N-O 2.67Å; R210-R250 HydrophobicContact CB-CG 4.49Å; R210-R250 CarbonylContact O-C 3.44Å; R210-R250 WeakPolarHBondContact O-CA 3.34Å; R210-N251 PolarHBondContact O-N 2.95Å
211	N	58.3	Low	52.6	Low	29 Å²	29	40.9 Å²	40.9	16%	0.155	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	116.1	173.1	-55.7	-35	0	0	0	106.6	R170 N171 G172 N190 R209 N251	R170-N211 PolarHBondContact O-N 2.99Å; N171-N211 CarbonylContact C-O 3.6Å; N171-N211 WeakPolarHBondContact CA-O 3.41Å; N171-N211 WeakPolarHBondContact OD1-CB 3.39Å; N171-N211 PolarHBondContact OD1-ND2 2.96Å; G172-N211 PolarHBondContact N-O 2.71Å; N190-N211 PolarHBondContact ND2-O 2.71Å; R209-N211 PolarHBondContact NE-ND2 2.67Å; R209-N211 PolarHBondContact NE-OD1 3.17Å; N211-N251 CarbonylContact C-O 3.59Å; N211-N251 WeakPolarHBondContact CA-O 3.31Å
212	G	60.6	Low	53.5	Low	1 Å²	1	42.2 Å²	42.2	1%	0.01	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	127.4	178.7	0	0	0	0	0	109	G172 N190 N251 G252 S253	G172-G212 CarbonylContact O-C 3.55Å; G172-G212 WeakPolarHBondContact O-CA 3.44Å; N190-G212 WeakPolarHBondContact ND2-CA 3.48Å; G212-N251 PolarHBondContact N-O 2.72Å; G212-G252 CarbonylContact O-C 3.48Å; G212-G252 WeakPolarHBondContact O-CA 3.11Å; G212-S253 PolarHBondContact O-N 3.03Å
213	T	62.4	Low	54.8	Low	53 Å²	53	36.6 Å²	36.6	33%	0.325	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	123.7	167.3	-55.5	0	0	0	0	107.4	G172 T173 L174 S253	G172-T213 PolarHBondContact O-N 2.84Å; T173-T213 CarbonylContact C-O 3.59Å; T173-T213 VanDerWaalsContact CA-O 3.25Å; T173-T213 WeakPolarHBondContact CA-O 3.13Å; L174-T213 PolarHBondContact N-O 3.33Å; T213-S253 CarbonylContact C-O 3.54Å; T213-S253 VanDerWaalsContact CA-O 3.28Å; T213-S253 WeakPolarHBondContact CA-O 3.21Å; T213-S253 PolarHBondContact OG1-OG 3.48Å
214	L	60.3	Low	55.8	Low	0 Å²	0	36.6 Å²	36.6	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	126.5	171.5	-179.9	144.3	0	0	0	108.1	L174 I187 M189 L217 I227 M229 S253 L254 S255 L257	L174-L214 HydrophobicContact CB-CD1 4.48Å; L174-L214 HydrophobicContact CD1-CD1 4.46Å; L174-L214 HydrophobicContact CD2-CD1 3.92Å; L174-L214 HydrophobicContact CD2-CG 4.04Å; L174-L214 CarbonylContact O-C 3.55Å; L174-L214 VanDerWaalsContact O-CA 3.29Å; L174-L214 WeakPolarHBondContact O-CA 3.46Å; I187-L214 HydrophobicContact CD1-CD1 4.01Å; I187-L214 HydrophobicContact CG2-CD1 4.01Å; M189-L214 HydrophobicContact CE-CB 4.25Å; M189-L214 HydrophobicContact CE-CD1 4.32Å; L214-L217 HydrophobicContact CD2-CD1 3.81Å; L214-L217 HydrophobicContact CD2-CD2 4.27Å; L214-L217 HydrophobicContact CD2-CG 3.83Å; L214-I227 HydrophobicContact CD1-CG2 4.04Å; L214-I227 HydrophobicContact CD2-CD1 4.16Å; L214-M229 HydrophobicContact CB-CE 4.01Å; L214-M229 HydrophobicContact CB-SD 3.39Å; L214-M229 WeakPolarHBondContact CB-SD 3.19Å; L214-M229 HydrophobicContact CD1-SD 4.14Å; L214-M229 HydrophobicContact CG-SD 4.36Å; L214-S253 PolarHBondContact N-O 3.29Å; L214-L254 HydrophobicContact CB-CD1 4.49Å; L214-L254 HydrophobicContact CD2-CD1 3.67Å; L214-L254 HydrophobicContact CD2-CG 3.82Å; L214-L254 CarbonylContact O-C 3.16Å; L214-L254 VanDerWaalsContact O-CA 3.29Å; L214-L254 WeakPolarHBondContact O-CA 3.09Å; L214-S255 PolarHBondContact O-N 3.43Å; L214-L257 HydrophobicContact CD2-CD2 3.8Å
215	S	65.3	Low	56.7	Low	32 Å²	32	36.8 Å²	36.8	22%	0.224	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	148	-179.3	59.9	0	0	0	0	117.3	L174 S175 G176 S255	L174-S215 PolarHBondContact O-N 3.14Å; S175-S215 CarbonylContact C-O 3.51Å; S175-S215 WeakPolarHBondContact CA-O 3.44Å; S175-S215 WeakPolarHBondContact CB-O 3.4Å; G176-S215 PolarHBondContact N-O 2.95Å; G176-S215 VanDerWaalsContact N-O 3.14Å; S215-S255 CarbonylContact C-O 3.57Å; S215-S255 WeakPolarHBondContact CA-O 3.24Å; S215-S255 WeakPolarHBondContact CB-O 3.3Å
216	G	52	Low	57.5	Low	33 Å²	33	33.9 Å²	33.9	34%	0.34	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	70.9	56.6	179.1	0	0	0	0	0	111.1	G176 L177 S255 G256	G176-G216 CarbonylContact C-O 3.58Å; G176-G216 WeakPolarHBondContact CA-O 3.42Å; G176-G216 PolarHBondContact N-O 3.15Å; L177-G216 PolarHBondContact N-O 3.47Å; G216-S255 PolarHBondContact N-O 3.33Å; G216-S255 VanDerWaalsContact N-O 3.12Å; G216-G256 CarbonylContact C-O 3.53Å; G216-G256 WeakPolarHBondContact CA-O 3.4Å; G216-G256 PolarHBondContact N-O 3.24Å
217	L	63.8	Low	58.2	Low	6 Å²	6	33.6 Å²	33.6	3%	0.031	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	120.2	158.7	-47.3	-171.8	0	0	0	106.5	L174 L177 I187 L214 I225 I227 G256 L257 S258	L174-L217 HydrophobicContact CD2-CD2 3.82Å; L177-L217 HydrophobicContact CB-CD2 3.54Å; L177-L217 HydrophobicContact CD1-CD2 3.51Å; L177-L217 HydrophobicContact CG-CD2 3.32Å; L177-L217 CarbonylContact O-C 3.55Å; L177-L217 VanDerWaalsContact O-CA 3.26Å; L177-L217 WeakPolarHBondContact O-CA 3.32Å; I187-L217 HydrophobicContact CD1-CD1 3.83Å; I187-L217 HydrophobicContact CD1-CD2 4.32Å; L214-L217 HydrophobicContact CD2-CD1 3.81Å; L214-L217 HydrophobicContact CD2-CD2 4.27Å; L214-L217 HydrophobicContact CD2-CG 3.83Å; L217-I225 HydrophobicContact CD1-CG2 4.23Å; L217-I227 HydrophobicContact CD1-CD1 3.53Å; L217-I227 HydrophobicContact CD1-CG1 4.4Å; L217-G256 PolarHBondContact N-O 2.87Å; L217-L257 HydrophobicContact CB-CD2 3.54Å; L217-L257 HydrophobicContact CD1-CD2 3.55Å; L217-L257 HydrophobicContact CG-CD2 3.36Å; L217-L257 CarbonylContact O-C 3.51Å; L217-L257 VanDerWaalsContact O-CA 3.26Å; L217-L257 WeakPolarHBondContact O-CA 3.31Å; L217-S258 PolarHBondContact O-N 3.03Å
218	S	59.5	Low	58.9	Low	49 Å²	49	33.1 Å²	33.1	34%	0.343	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	136.2	172.8	59.1	0	0	0	0	109.3	L177 S178 G179 S258	L177-S218 PolarHBondContact O-N 3.45Å; S178-S218 CarbonylContact C-O 3.49Å; S178-S218 VanDerWaalsContact CA-O 3.28Å; S178-S218 WeakPolarHBondContact CA-O 3.48Å; S178-S218 WeakPolarHBondContact CB-OG 3.4Å; G179-S218 PolarHBondContact N-O 2.89Å; S218-S258 CarbonylContact C-O 3.48Å; S218-S258 VanDerWaalsContact CA-O 3.28Å; S218-S258 WeakPolarHBondContact CA-O 3.19Å; S218-S258 WeakPolarHBondContact CB-OG 3.39Å
219	G	57	Low	59.4	Low	6 Å²	6	31.8 Å²	31.8	6%	0.062	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	151.8	171.7	0	0	0	0	0	111.1	G179 Q223 S258 G259 E260 Q263	G179-G219 VanDerWaalsContact O-CA 3.29Å; G179-G219 WeakPolarHBondContact O-CA 3.3Å; G219-Q223 VanDerWaalsContact CA-NE2 3.29Å; G219-S258 PolarHBondContact N-O 3.16Å; G219-G259 VanDerWaalsContact O-CA 3.27Å; G219-G259 WeakPolarHBondContact O-CA 3.49Å; G219-E260 PolarHBondContact O-N 3.43Å; G219-Q263 VanDerWaalsContact CA-NE2 3.34Å; G219-Q263 PolarHBondContact O-NE2 2.77Å
220	E	60.7	Low	60	Low	73 Å²	73	26.9 Å²	26.9	34%	0.341	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	-84.3	171.5	-61.4	177.4	178.8	0	0	109.5	G179 E180 E260 N261 Q263	G179-E220 PolarHBondContact O-N 2.8Å; G179-E220 VanDerWaalsContact O-N 3.17Å; E180-E220 WeakPolarHBondContact O-CB 2.95Å; E180-E220 PolarHBondContact O-N 2.95Å; E220-E260 PolarHBondContact O-N 2.92Å; E220-N261 PolarHBondContact O-N 2.93Å; E220-Q263 PolarHBondContact O-NE2 2.93Å
221	N	64.7	Low	60	Low	56 Å²	56	26.7 Å²	26.7	30%	0.299	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	133.7	-168	-55.6	-55.4	0	0	0	114.8	E180 N181 G182 Q223 N261	E180-N221 PolarHBondContact O-N 3.06Å; N181-N221 WeakPolarHBondContact CA-O 2.91Å; N181-N221 VanDerWaalsContact OD1-CB 3.31Å; N181-N221 WeakPolarHBondContact OD1-CB 3.22Å; N181-N221 PolarHBondContact OD1-ND2 3.49Å; G182-N221 PolarHBondContact N-O 3.04Å; N221-Q223 VanDerWaalsContact C-N 3.32Å; N221-Q223 PolarHBondContact O-N 3.03Å; N221-N261 WeakPolarHBondContact CA-O 3.39Å; N221-N261 VanDerWaalsContact OD1-CB 3.29Å; N221-N261 WeakPolarHBondContact OD1-CB 2.97Å; N221-N261 PolarHBondContact OD1-ND2 3.43Å
222	G	54.3	Low	60	Low	40 Å²	40	25.6 Å²	25.6	41%	0.412	16%	0.16	S	C	.	.	S	Bend	trans	67.6	21.7	161.1	0	0	0	0	0	116.2	N261	G222-N261 PolarHBondContact N-O 2.73Å
223	Q	63.5	Low	59.7	Low	2 Å²	2	26.2 Å²	26.2	1%	0.009	17%	0.167	C	C	.	.			trans	-79.7	143.2	-178.1	-61.1	-179.8	12.1	0	0	112.5	G179 E180 Q183 G219 N221 I225 Q263 V264	G179-Q223 PolarHBondContact O-NE2 2.6Å; E180-Q223 PolarHBondContact O-NE2 3.29Å; Q183-Q223 HydrophobicContact CB-CG 4.22Å; Q183-Q223 CarbonylContact O-C 3.58Å; Q183-Q223 VanDerWaalsContact O-CA 3.28Å; Q183-Q223 WeakPolarHBondContact O-CA 3.27Å; G219-Q223 VanDerWaalsContact CA-NE2 3.29Å; N221-Q223 VanDerWaalsContact C-N 3.32Å; N221-Q223 PolarHBondContact O-N 3.03Å; Q223-I225 HydrophobicContact CB-CG1 4.37Å; Q223-Q263 HydrophobicContact CB-CG 4.19Å; Q223-Q263 CarbonylContact O-C 3.5Å; Q223-Q263 VanDerWaalsContact O-CA 3.28Å; Q223-Q263 WeakPolarHBondContact O-CA 3.2Å; Q223-V264 PolarHBondContact O-N 2.78Å
224	V	59.5	Low	59	Low	37 Å²	37	23.9 Å²	23.9	22%	0.224	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	114.7	171.4	-172.2	0	0	0	0	109.6	Q183 V184 I185 Y226 V264 Y266	Q183-V224 PolarHBondContact O-N 3.33Å; V184-V224 CarbonylContact C-O 3.5Å; V184-V224 WeakPolarHBondContact CA-O 3.15Å; V184-V224 HydrophobicContact CG1-CB 4.39Å; V184-V224 HydrophobicContact CG2-CB 4.46Å; I185-V224 PolarHBondContact N-O 2.53Å; V224-Y226 HydrophobicContact CB-CE2 4.39Å; V224-Y226 HydrophobicContact CG1-CD2 4.11Å; V224-Y226 HydrophobicContact CG1-CE2 3.34Å; V224-V264 CarbonylContact C-O 3.49Å; V224-V264 WeakPolarHBondContact CA-O 3.31Å; V224-V264 HydrophobicContact CG1-CB 4.45Å; V224-Y266 HydrophobicContact CG1-CE2 4.33Å
225	I	58.3	Low	58.4	Low	4 Å²	4	27.2 Å²	27.2	2%	0.021	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	119	-172.9	-50.6	177.8	0	0	0	110.2	I185 L217 Q223 I227 V264 I265 Y266	I185-I225 HydrophobicContact CB-CG2 4.33Å; I185-I225 CarbonylContact O-C 3.57Å; I185-I225 WeakPolarHBondContact O-CA 3.49Å; L217-I225 HydrophobicContact CD1-CG2 4.23Å; Q223-I225 HydrophobicContact CB-CG1 4.37Å; I225-I227 HydrophobicContact CG2-CD1 3.97Å; I225-I227 HydrophobicContact CG2-CG1 3.64Å; I225-V264 PolarHBondContact N-O 2.62Å; I225-I265 HydrophobicContact CB-CG1 4.44Å; I225-I265 HydrophobicContact CB-CG2 4.33Å; I225-I265 HydrophobicContact CD1-CG1 4.47Å; I225-I265 CarbonylContact O-C 3.54Å; I225-I265 WeakPolarHBondContact O-CA 3.03Å; I225-Y266 PolarHBondContact O-N 2.87Å
226	Y	57.9	Low	57.1	Low	81 Å²	81	25.7 Å²	25.7	32%	0.318	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	107.3	174.2	-62.8	-88.3	0	0	0	110.4	V184 I185 Y186 I187 V224 Y266	V184-Y226 HydrophobicContact CG1-CE2 4.3Å; I185-Y226 PolarHBondContact O-N 2.8Å; Y186-Y226 AromaticContact CD1-CD2 3.6Å; Y186-Y226 HydrophobicContact CD1-CD2 3.6Å; Y186-Y226 HydrophobicContact CD1-CE2 4.45Å; Y186-Y226 AromaticContact CD1-CG 3.85Å; Y186-Y226 HydrophobicContact CD1-CG 3.85Å; Y186-Y226 AromaticContact CE1-CD2 3.21Å; Y186-Y226 HydrophobicContact CE1-CD2 3.21Å; Y186-Y226 AromaticContact CE1-CE2 3.63Å; Y186-Y226 HydrophobicContact CE1-CE2 3.63Å; Y186-Y226 AromaticContact CE1-CG 3.74Å; Y186-Y226 HydrophobicContact CE1-CG 3.74Å; Y186-Y226 HydrophobicContact CG-CD2 4.41Å; Y186-Y226 AromaticContact CZ-CD2 3.78Å; Y186-Y226 AromaticContact CZ-CE2 3.88Å; I187-Y226 PolarHBondContact N-O 2.77Å; V224-Y226 HydrophobicContact CB-CE2 4.39Å; V224-Y226 HydrophobicContact CG1-CD2 4.11Å; V224-Y226 HydrophobicContact CG1-CE2 3.34Å; Y226-Y266 AromaticContact CD1-CD2 3.6Å; Y226-Y266 HydrophobicContact CD1-CD2 3.6Å; Y226-Y266 HydrophobicContact CD1-CE2 4.45Å; Y226-Y266 AromaticContact CD1-CG 3.86Å; Y226-Y266 HydrophobicContact CD1-CG 3.86Å; Y226-Y266 AromaticContact CE1-CD2 3.21Å; Y226-Y266 HydrophobicContact CE1-CD2 3.21Å; Y226-Y266 AromaticContact CE1-CE2 3.63Å; Y226-Y266 HydrophobicContact CE1-CE2 3.63Å; Y226-Y266 AromaticContact CE1-CG 3.75Å; Y226-Y266 HydrophobicContact CE1-CG 3.75Å; Y226-Y266 HydrophobicContact CG-CD2 4.42Å; Y226-Y266 AromaticContact CZ-CD2 3.78Å; Y226-Y266 AromaticContact CZ-CE2 3.88Å
227	I	56.7	Low	56.2	Low	0 Å²	0	28.6 Å²	28.6	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	114.2	-179.5	-52.4	179.7	0	0	0	110	I187 L214 L217 I225 M229 L254 L257 Y266 I267 T268	I187-I227 HydrophobicContact CD1-CG1 4.37Å; L214-I227 HydrophobicContact CD1-CG2 4.04Å; L214-I227 HydrophobicContact CD2-CD1 4.16Å; L217-I227 HydrophobicContact CD1-CD1 3.53Å; L217-I227 HydrophobicContact CD1-CG1 4.4Å; I225-I227 HydrophobicContact CG2-CD1 3.97Å; I225-I227 HydrophobicContact CG2-CG1 3.64Å; I227-M229 HydrophobicContact CG2-CG 3.72Å; I227-L254 HydrophobicContact CD1-CD1 4.02Å; I227-L254 HydrophobicContact CG2-CD1 4.08Å; I227-L257 HydrophobicContact CD1-CD1 3.98Å; I227-L257 HydrophobicContact CD1-CD2 4.38Å; I227-Y266 PolarHBondContact N-O 3.08Å; I227-I267 HydrophobicContact CD1-CG1 4.38Å; I227-I267 CarbonylContact O-C 3.44Å; I227-T268 PolarHBondContact O-N 3.1Å
228	T	61	Low	55.1	Low	44 Å²	44	29.4 Å²	29.4	27%	0.27	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	104.4	171.7	-64.3	0	0	0	0	110.1	I187 T188 M189 S191 S231 T268	I187-T228 PolarHBondContact O-N 3.13Å; T188-T228 WeakPolarHBondContact CA-O 3.28Å; M189-T228 PolarHBondContact N-O 3.08Å; S191-T228 PolarHBondContact OG-O 2.99Å; T228-S231 VanDerWaalsContact CG2-CB 3.44Å; T228-T268 WeakPolarHBondContact CA-O 3.38Å
229	M	60.8	Low	53.9	Low	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	134.1	-178.8	-70.7	-153.5	-60	0	0	113.2	M189 L214 I227 S231 L254 T268 M269 N270	M189-M229 HydrophobicContact CB-CG 4.2Å; M189-M229 HydrophobicContact CE-SD 4.38Å; M189-M229 HydrophobicContact SD-SD 4.23Å; L214-M229 HydrophobicContact CB-CE 4.01Å; L214-M229 HydrophobicContact CB-SD 3.39Å; L214-M229 WeakPolarHBondContact CB-SD 3.19Å; L214-M229 HydrophobicContact CD1-SD 4.14Å; L214-M229 HydrophobicContact CG-SD 4.36Å; I227-M229 HydrophobicContact CG2-CG 3.72Å; M229-S231 PolarHBondContact O-N 2.85Å; M229-S231 VanDerWaalsContact O-N 3.15Å; M229-S231 PolarHBondContact O-OG 3.12Å; M229-L254 HydrophobicContact CE-CB 3.65Å; M229-L254 HydrophobicContact CE-CD1 3.61Å; M229-L254 HydrophobicContact CE-CG 4.15Å; M229-T268 PolarHBondContact N-O 2.9Å; M229-M269 HydrophobicContact CB-CG 4.26Å; M229-M269 HydrophobicContact CE-CE 3.8Å; M229-M269 HydrophobicContact CE-CG 4.13Å; M229-M269 HydrophobicContact CE-SD 4.33Å; M229-N270 PolarHBondContact O-N 3.01Å
230	N	64.8	Low	53	Low	0 Å²	0	33.3 Å²	33.3	0%	0	19%	0.187	C	C	.	.	S	Bend	trans	53.9	32.9	175.6	-59.6	-35.8	0	0	0	112.3	M189 N190 R210 R250 N251 G252 N270	M189-N230 PolarHBondContact O-N 2.99Å; N190-N230 VanDerWaalsContact CB-OD1 3.25Å; N190-N230 WeakPolarHBondContact CB-OD1 3.49Å; N190-N230 PolarHBondContact ND2-OD1 3.21Å; N190-N230 VanDerWaalsContact ND2-OD1 3.13Å; R210-N230 HydrophobicContact CB-CB 4.1Å; R210-N230 WeakPolarHBondContact CB-OD1 3.07Å; N230-R250 HydrophobicContact CB-CB 4.37Å; N230-R250 VanDerWaalsContact O-CD 3.24Å; N230-R250 WeakPolarHBondContact O-CD 3.13Å; N230-R250 PolarHBondContact O-NE 2.86Å; N230-R250 PolarHBondContact O-NH1 3.26Å; N230-N251 PolarHBondContact ND2-O 2.86Å; N230-N251 VanDerWaalsContact ND2-O 3.08Å; N230-G252 WeakPolarHBondContact ND2-CA 3.12Å; N230-N270 VanDerWaalsContact CB-OD1 3.24Å; N230-N270 WeakPolarHBondContact CB-OD1 3.49Å; N230-N270 PolarHBondContact ND2-OD1 3.22Å; N230-N270 VanDerWaalsContact ND2-OD1 3.08Å
231	S	59.5	Low	51.7	Low	14 Å²	14	29.9 Å²	29.9	10%	0.098	17%	0.171	C	C	.	.			trans	-96.1	146.3	-173.7	-67.9	0	0	0	0	112.2	S191 S192 R210 T228 M229 S271	S191-S231 CarbonylContact C-O 3.59Å; S191-S231 WeakPolarHBondContact CA-O 3.27Å; S191-S231 WeakPolarHBondContact CB-O 2.81Å; S191-S231 PolarHBondContact OG-N 2.79Å; S192-S231 PolarHBondContact N-O 2.85Å; R210-S231 PolarHBondContact NH1-O 2.85Å; T228-S231 VanDerWaalsContact CG2-CB 3.44Å; M229-S231 PolarHBondContact O-N 2.85Å; M229-S231 VanDerWaalsContact O-N 3.15Å; M229-S231 PolarHBondContact O-OG 3.12Å; S231-S271 CarbonylContact C-O 3.53Å; S231-S271 WeakPolarHBondContact CA-O 3.27Å
232	S	57.1	Low	50.4	Low	6 Å²	6	29.2 Å²	29.2	4%	0.042	17%	0.171	C	C	.	.	B	Isolated β-bridge	trans	-144.6	133.9	174.9	88.7	0	0	0	0	113.5	S192 R210 L246 R250 S271 S272 G273	S192-S232 WeakPolarHBondContact O-CA 2.9Å; S192-S232 WeakPolarHBondContact O-CB 2.77Å; R210-S232 VanDerWaalsContact NH2-CB 3.32Å; S232-L246 WeakPolarHBondContact OG-CD1 3.18Å; S232-R250 PolarHBondContact OG-NH2 3.38Å; S232-S271 PolarHBondContact N-O 3.23Å; S232-S272 WeakPolarHBondContact O-CA 3.28Å; S232-S272 VanDerWaalsContact O-CB 3.22Å; S232-S272 WeakPolarHBondContact O-CB 3.3Å; S232-G273 PolarHBondContact O-N 3.21Å
233	G	54.7	Low	49.7	Very low	15 Å²	15	27.7 Å²	27.7	16%	0.155	15%	0.153	C	C	.	.			trans	-177.5	134	179.7	0	0	0	0	0	108.6	S192 G193 G273	S192-G233 PolarHBondContact O-N 2.87Å; G193-G233 VanDerWaalsContact CA-O 3.26Å; G193-G233 WeakPolarHBondContact CA-O 3.44Å; G233-G273 VanDerWaalsContact CA-O 3.27Å; G233-G273 WeakPolarHBondContact CA-O 3.41Å
234	P	48.4	Very low	48.5	Very low	3 Å²	3	27.6 Å²	27.6	2%	0.019	15%	0.153	C	C	.	.			trans	-70.2	137.5	165.6	27.2	-26.3	0	0	0	109.4	P194 F241 P274 N275	P194-P234 HydrophobicContact CG-CB 3.8Å; P194-P234 VanDerWaalsContact O-CA 3.31Å; P194-P234 WeakPolarHBondContact O-CA 3.43Å; P234-F241 HydrophobicContact CB-CZ 4.47Å; P234-F241 HydrophobicContact CG-CZ 3.79Å; P234-P274 HydrophobicContact CG-CB 3.94Å; P234-P274 WeakPolarHBondContact O-CA 3.48Å; P234-P274 WeakPolarHBondContact O-CB 3.28Å; P234-N275 PolarHBondContact O-N 2.87Å
235	N	46.7	Very low	47.7	Very low	70 Å²	70	27.8 Å²	27.8	37%	0.374	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	119.8	162	-69.2	-12.4	0	0	0	107	P194 N195 S196 N275	P194-N235 PolarHBondContact O-N 2.86Å; N195-N235 WeakPolarHBondContact OD1-CB 3.47Å; S196-N235 PolarHBondContact N-O 3.19Å; N235-N275 WeakPolarHBondContact CA-O 3.25Å; N235-N275 WeakPolarHBondContact OD1-CB 2.78Å
236	S	37.7	Very low	46.9	Very low	1 Å²	1	27.9 Å²	27.9	1%	0.007	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	139.1	-172.1	66.8	0	0	0	0	113.2	N275 S276 H278	S236-N275 PolarHBondContact N-O 2.88Å; S236-S276 VanDerWaalsContact O-CA 3.26Å; S236-S276 WeakPolarHBondContact O-CA 3.36Å; S236-S276 WeakPolarHBondContact O-CB 3.2Å; S236-H278 PolarHBondContact O-CE1 2.82Å
237	H	33.6	Very low	46.3	Very low	94 Å²	94	26.3 Å²	26.3	44%	0.435	16%	0.156	S	C	.	.			trans	-115	69.6	-174.1	-67.4	-90.3	0	0	0	113.4	Y197 Y277	Y197-H237 HydrophobicContact CD1-CB 4.27Å; Y197-H237 HydrophobicContact CE1-CB 4.26Å; Y197-H237 AromaticContact CE1-CD2 3.46Å; Y197-H237 VanDerWaalsContact CE1-CD2 3.46Å; Y197-H237 WeakPolarHBondContact CE1-CD2 3.28Å; H237-Y277 AromaticContact CE1-CD2 3.41Å; H237-Y277 VanDerWaalsContact CE1-CD2 3.41Å; H237-Y277 WeakPolarHBondContact CE1-CD2 3.37Å; H237-Y277 AromaticContact CE1-CE2 3.68Å; H237-Y277 AromaticContact ND1-CD2 3.42Å; H237-Y277 WeakPolarHBondContact ND1-CD2 3.38Å
238	H	41	Very low	45.9	Very low	22 Å²	22	27.3 Å²	27.3	10%	0.102	17%	0.167	C	C	.	.			trans	-138.1	177.3	-162.1	-61.1	-42.9	0	0	0	119.5	S196 Y197 H198 H278	S196-H238 PolarHBondContact O-NE2 3.26Å; Y197-H238 WeakPolarHBondContact CA-CE1 3.26Å; Y197-H238 WeakPolarHBondContact CA-NE2 3.25Å; H198-H238 VanDerWaalsContact C-ND1 3.27Å; H198-H238 PolarHBondContact N-CD2 3.06Å; H198-H238 PolarHBondContact N-CE1 3.18Å; H198-H238 PolarHBondContact N-ND1 3.46Å; H198-H238 PolarHBondContact N-NE2 3.49Å; H198-H238 WeakPolarHBondContact O-CB 3.08Å; H198-H238 PolarHBondContact O-ND1 3.49Å; H238-H278 VanDerWaalsContact C-ND1 3.34Å; H238-H278 PolarHBondContact N-CE1 2.82Å; H238-H278 PolarHBondContact N-ND1 2.88Å; H238-H278 PolarHBondContact O-CE1 3.39Å; H238-H278 PolarHBondContact O-ND1 2.88Å
239	L	34.1	Very low	45.5	Very low	77 Å²	77	32.2 Å²	32.2	40%	0.403	18%	0.18	S	C	.	.	S	Bend	trans	-150.6	122.6	177.5	-97.2	168.1	0	0	0	108.9	N279	L239-N279 HydrophobicContact CD1-CB 4.05Å; L239-N279 HydrophobicContact CD2-CB 3.22Å; L239-N279 HydrophobicContact CG-CB 3.88Å
240	P	37.8	Very low	45.4	Very low	61 Å²	61	33 Å²	33	40%	0.396	18%	0.183	S	C	.	.	S	Bend	cis	-97.5	149.6	-19.1	35.2	-27.9	0	0	0	112.7	R280	P240-R280 HydrophobicContact CB-CB 4.33Å
241	F	34.5	Very low	45.1	Very low	1 Å²	1	35.2 Å²	35.2	0%	0.004	20%	0.195	C	C	.	.	B	Isolated β-bridge	trans	-119.1	128.6	-170.7	179.6	-114	0	0	0	112.8	Y201 P234 P243 H278 R280 Y281 F282	Y201-F241 AromaticContact CD1-CD2 3.36Å; Y201-F241 HydrophobicContact CD1-CD2 3.36Å; Y201-F241 AromaticContact CD1-CE2 3.14Å; Y201-F241 HydrophobicContact CD1-CE2 3.14Å; Y201-F241 HydrophobicContact CD1-CZ 4.29Å; Y201-F241 HydrophobicContact CE1-CD2 4.01Å; Y201-F241 AromaticContact CE1-CE2 3.29Å; Y201-F241 HydrophobicContact CE1-CE2 3.29Å; Y201-F241 HydrophobicContact CE1-CZ 4.11Å; Y201-F241 AromaticContact CG-CD2 3.95Å; Y201-F241 HydrophobicContact CG-CD2 3.95Å; Y201-F241 AromaticContact CG-CE2 3.93Å; Y201-F241 HydrophobicContact CG-CE2 3.93Å; P234-F241 HydrophobicContact CB-CZ 4.47Å; P234-F241 HydrophobicContact CG-CZ 3.79Å; F241-P243 HydrophobicContact CD1-CB 3.95Å; F241-P243 HydrophobicContact CD1-CG 4.28Å; F241-P243 HydrophobicContact CE1-CB 3.32Å; F241-P243 HydrophobicContact CE1-CG 4.11Å; F241-P243 HydrophobicContact CZ-CB 3.84Å; F241-H278 AromaticContact CD1-NE2 3.73Å; F241-H278 AromaticContact CG-NE2 3.86Å; F241-R280 PolarHBondContact N-O 3.41Å; F241-Y281 AromaticContact CD1-CD2 3.79Å; F241-Y281 HydrophobicContact CD1-CD2 3.79Å; F241-Y281 AromaticContact CD1-CE2 3.43Å; F241-Y281 HydrophobicContact CD1-CE2 3.43Å; F241-Y281 VanDerWaalsContact CD1-CE2 3.43Å; F241-Y281 AromaticContact CE1-CE2 3.74Å; F241-Y281 HydrophobicContact CE1-CE2 3.74Å; F241-F282 PolarHBondContact O-N 3.02Å
242	S	37	Very low	45.1	Very low	42 Å²	42	34.8 Å²	34.8	29%	0.294	19%	0.193	S	C	.	.			trans	-103.9	101.7	161.3	-74.1	0	0	0	0	109	P203 F282	P203-S242 WeakPolarHBondContact CB-O 2.95Å; P203-S242 VanDerWaalsContact CD-O 3.23Å; P203-S242 WeakPolarHBondContact CD-O 2.95Å; P203-S242 VanDerWaalsContact CG-O 3.28Å; P203-S242 WeakPolarHBondContact CG-O 3.49Å; S242-F282 WeakPolarHBondContact OG-CB 3.4Å; S242-F282 WeakPolarHBondContact OG-CD2 3.28Å
243	P	39.4	Very low	45.4	Very low	7 Å²	7	36.2 Å²	36.2	5%	0.045	20%	0.203	C	C	.	.			trans	-67.4	147.5	177	30.6	-39.5	0	0	0	112.2	F241 Y281 F282 T284	F241-P243 HydrophobicContact CD1-CB 3.95Å; F241-P243 HydrophobicContact CD1-CG 4.28Å; F241-P243 HydrophobicContact CE1-CB 3.32Å; F241-P243 HydrophobicContact CE1-CG 4.11Å; F241-P243 HydrophobicContact CZ-CB 3.84Å; P243-Y281 HydrophobicContact CB-CE2 4.5Å; P243-Y281 WeakPolarHBondContact CB-OH 3.34Å; P243-Y281 HydrophobicContact CG-CE1 3.81Å; P243-Y281 HydrophobicContact CG-CE2 4.2Å; P243-Y281 VanDerWaalsContact CG-OH 3.29Å; P243-Y281 WeakPolarHBondContact CG-OH 3.12Å; P243-F282 WeakPolarHBondContact CD-O 3.38Å; P243-F282 WeakPolarHBondContact CG-O 2.97Å; P243-T284 HydrophobicContact CB-CG2 3.66Å; P243-T284 WeakPolarHBondContact CB-OG1 3.43Å; P243-T284 HydrophobicContact CG-CG2 4.03Å; P243-T284 VanDerWaalsContact CG-N 3.31Å; P243-T284 WeakPolarHBondContact CG-OG1 3.28Å
244	P	39.3	Very low	45.6	Very low	1 Å²	1	35.5 Å²	35.5	1%	0.006	20%	0.195	C	C	.	.			trans	-76.5	145.4	-173.8	22.7	-30.1	0	0	0	115.2	P203 T204 L246 T284	P203-P244 HydrophobicContact CB-CB 3.49Å; P203-P244 VanDerWaalsContact CB-CB 3.49Å; P203-P244 HydrophobicContact CB-CG 4.24Å; P203-P244 VanDerWaalsContact CB-N 3.34Å; T204-P244 WeakPolarHBondContact O-CB 3.48Å; T204-P244 WeakPolarHBondContact O-CG 3.33Å; P244-L246 HydrophobicContact CG-CD2 4.2Å; P244-L246 PolarHBondContact O-N 2.99Å; P244-T284 WeakPolarHBondContact O-CG2 3.2Å
245	P	41.5	Very low	46.4	Very low	40 Å²	40	37.1 Å²	37.1	26%	0.26	21%	0.207	S	C	.	.			trans	-59.2	113.9	167.7	23.4	-28.8	0	0	0	109.2	R205 R285	R205-P245 HydrophobicContact CG-CG 3.99Å; P245-R285 CarbonylContact C-O 3.6Å; P245-R285 WeakPolarHBondContact CA-O 3.37Å; P245-R285 HydrophobicContact CB-CB 4.18Å; P245-R285 WeakPolarHBondContact CB-O 3.18Å
246	L	40.9	Very low	46.7	Very low	7 Å²	7	35.3 Å²	35.3	4%	0.037	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	106.8	175.3	-55.4	-177.2	0	0	0	106.6	L206 S232 P244 T284 R285 L286 S287	L206-L246 HydrophobicContact CB-CD2 3.55Å; L206-L246 HydrophobicContact CD1-CD2 3.38Å; L206-L246 HydrophobicContact CG-CD2 3.45Å; L206-L246 VanDerWaalsContact CG-CD2 3.45Å; S232-L246 WeakPolarHBondContact OG-CD1 3.18Å; P244-L246 HydrophobicContact CG-CD2 4.2Å; P244-L246 PolarHBondContact O-N 2.99Å; L246-T284 HydrophobicContact CG-CG2 4.33Å; L246-R285 PolarHBondContact N-O 2.68Å; L246-L286 HydrophobicContact CB-CD2 3.48Å; L246-L286 VanDerWaalsContact CB-CD2 3.48Å; L246-L286 HydrophobicContact CD1-CD2 3.43Å; L246-L286 VanDerWaalsContact CD1-CD2 3.43Å; L246-L286 HydrophobicContact CG-CD2 3.49Å; L246-L286 VanDerWaalsContact CG-CD2 3.49Å; L246-L286 WeakPolarHBondContact O-CA 3.34Å; L246-S287 PolarHBondContact O-N 3.23Å
247	S	45.9	Very low	47.9	Very low	47 Å²	47	35.5 Å²	35.5	33%	0.329	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	113.2	-175.7	65.5	0	0	0	0	111.3	L206 S207 G208 S287	L206-S247 PolarHBondContact O-N 2.88Å; L206-S247 VanDerWaalsContact O-N 3.08Å; S207-S247 WeakPolarHBondContact CA-O 3.08Å; G208-S247 PolarHBondContact N-O 3.13Å; S247-S287 WeakPolarHBondContact CA-O 3.47Å; S247-S287 VanDerWaalsContact CB-OG 3.31Å; S247-S287 WeakPolarHBondContact CB-OG 3.13Å
248	G	48.2	Very low	49.2	Very low	22 Å²	22	33.4 Å²	33.4	23%	0.227	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169.6	167.4	-178.4	0	0	0	0	0	117	G208 S287 G288 R289	G208-G248 CarbonylContact O-C 3.57Å; G208-G248 WeakPolarHBondContact O-CA 3.21Å; G248-S287 PolarHBondContact N-O 2.74Å; G248-S287 VanDerWaalsContact N-O 3.16Å; G248-G288 CarbonylContact O-C 3.53Å; G248-G288 WeakPolarHBondContact O-CA 3.41Å; G248-R289 PolarHBondContact O-N 3.16Å; G248-R289 VanDerWaalsContact O-N 3.11Å
249	R	52.8	Low	49.9	Very low	147 Å²	147	32.7 Å²	32.7	56%	0.555	20%	0.2	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-102.2	123.1	169.9	-66.3	-169.6	-177.5	-165.9	3.4	108.9	G208 R209 R210 R289	G208-R249 PolarHBondContact O-N 3.48Å; R209-R249 CarbonylContact C-O 3.58Å; R209-R249 VanDerWaalsContact CA-O 3.27Å; R209-R249 WeakPolarHBondContact CA-O 3.38Å; R209-R249 HydrophobicContact CG-CB 4.26Å; R210-R249 PolarHBondContact N-O 2.67Å; R249-R289 CarbonylContact C-O 3.37Å; R249-R289 VanDerWaalsContact CA-O 3.28Å; R249-R289 WeakPolarHBondContact CA-O 3.27Å; R249-R289 HydrophobicContact CG-CB 4.26Å
250	R	58.1	Low	51.2	Low	15 Å²	15	32.5 Å²	32.5	6%	0.057	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	116.4	178.2	-58.7	178.1	-175.8	-166.7	12.3	108.4	R210 N230 S232 N270 S271 R289 R290 N291	R210-R250 HydrophobicContact CB-CG 4.49Å; R210-R250 CarbonylContact O-C 3.44Å; R210-R250 WeakPolarHBondContact O-CA 3.34Å; N230-R250 HydrophobicContact CB-CB 4.37Å; N230-R250 VanDerWaalsContact O-CD 3.24Å; N230-R250 WeakPolarHBondContact O-CD 3.13Å; N230-R250 PolarHBondContact O-NE 2.86Å; N230-R250 PolarHBondContact O-NH1 3.26Å; S232-R250 PolarHBondContact OG-NH2 3.38Å; R250-N270 HydrophobicContact CB-CB 4.19Å; R250-N270 WeakPolarHBondContact CB-OD1 3.27Å; R250-S271 PolarHBondContact NH1-O 3Å; R250-R289 PolarHBondContact N-O 3.09Å; R250-R290 HydrophobicContact CB-CG 4.48Å; R250-R290 CarbonylContact O-C 3.36Å; R250-R290 WeakPolarHBondContact O-CA 3.26Å; R250-N291 PolarHBondContact O-N 2.81Å
251	N	58.4	Low	52.5	Low	48 Å²	48	32.3 Å²	32.3	26%	0.257	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	113.6	173.5	-65.6	-3.1	0	0	0	106.9	R210 N211 G212 N230 N291	R210-N251 PolarHBondContact O-N 2.95Å; N211-N251 CarbonylContact C-O 3.59Å; N211-N251 WeakPolarHBondContact CA-O 3.31Å; G212-N251 PolarHBondContact N-O 2.72Å; N230-N251 PolarHBondContact ND2-O 2.86Å; N230-N251 VanDerWaalsContact ND2-O 3.08Å; N251-N291 CarbonylContact C-O 3.57Å; N251-N291 WeakPolarHBondContact CA-O 2.85Å
252	G	60	Low	53.5	Low	4 Å²	4	34.1 Å²	34.1	4%	0.041	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	132.1	176.3	0	0	0	0	0	108.8	G212 N230 N291 G292 S293	G212-G252 CarbonylContact O-C 3.48Å; G212-G252 WeakPolarHBondContact O-CA 3.11Å; N230-G252 WeakPolarHBondContact ND2-CA 3.12Å; G252-N291 PolarHBondContact N-O 2.87Å; G252-G292 CarbonylContact O-C 3.6Å; G252-G292 VanDerWaalsContact O-CA 3.32Å; G252-G292 WeakPolarHBondContact O-CA 3.43Å; G252-S293 PolarHBondContact O-N 3.31Å
253	S	62.6	Low	54.7	Low	36 Å²	36	32.2 Å²	32.2	25%	0.252	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	123.1	164.7	50.6	0	0	0	0	108.3	G212 T213 L214 S293	G212-S253 PolarHBondContact O-N 3.03Å; T213-S253 CarbonylContact C-O 3.54Å; T213-S253 VanDerWaalsContact CA-O 3.28Å; T213-S253 WeakPolarHBondContact CA-O 3.21Å; T213-S253 PolarHBondContact OG1-OG 3.48Å; L214-S253 PolarHBondContact N-O 3.29Å; S253-S293 CarbonylContact C-O 3.54Å; S253-S293 VanDerWaalsContact CA-O 3.24Å; S253-S293 WeakPolarHBondContact CA-O 3.44Å; S253-S293 WeakPolarHBondContact CB-OG 3.34Å
254	L	59.9	Low	55.7	Low	0 Å²	0	33.6 Å²	33.6	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	127.5	172.1	-174.2	140	0	0	0	108.3	L214 I227 M229 L257 I267 M269 S293 L294 S295 L297	L214-L254 HydrophobicContact CB-CD1 4.49Å; L214-L254 HydrophobicContact CD2-CD1 3.67Å; L214-L254 HydrophobicContact CD2-CG 3.82Å; L214-L254 CarbonylContact O-C 3.16Å; L214-L254 VanDerWaalsContact O-CA 3.29Å; L214-L254 WeakPolarHBondContact O-CA 3.09Å; I227-L254 HydrophobicContact CD1-CD1 4.02Å; I227-L254 HydrophobicContact CG2-CD1 4.08Å; M229-L254 HydrophobicContact CE-CB 3.65Å; M229-L254 HydrophobicContact CE-CD1 3.61Å; M229-L254 HydrophobicContact CE-CG 4.15Å; L254-L257 HydrophobicContact CD2-CD1 3.73Å; L254-L257 HydrophobicContact CD2-CD2 4.19Å; L254-L257 HydrophobicContact CD2-CG 3.75Å; L254-I267 HydrophobicContact CD1-CD1 4.29Å; L254-I267 HydrophobicContact CD1-CG2 3.92Å; L254-I267 HydrophobicContact CD2-CD1 4.03Å; L254-M269 HydrophobicContact CB-CE 3.38Å; L254-M269 HydrophobicContact CD1-CE 4.48Å; L254-M269 HydrophobicContact CG-CE 4.5Å; L254-S293 PolarHBondContact N-O 2.94Å; L254-L294 HydrophobicContact CB-CD1 4.28Å; L254-L294 HydrophobicContact CB-CG 4.18Å; L254-L294 HydrophobicContact CD2-CD1 3.74Å; L254-L294 HydrophobicContact CD2-CD2 4.42Å; L254-L294 HydrophobicContact CD2-CG 3.71Å; L254-L294 HydrophobicContact CG-CD1 4.49Å; L254-L294 CarbonylContact O-C 3.55Å; L254-L294 VanDerWaalsContact O-CA 3.28Å; L254-L294 WeakPolarHBondContact O-CA 3.48Å; L254-S295 PolarHBondContact O-N 3.46Å; L254-L297 HydrophobicContact CD2-CD2 3.8Å
255	S	65.3	Low	56.6	Low	38 Å²	38	33.7 Å²	33.7	27%	0.266	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	149.8	178.8	59.6	0	0	0	0	117.4	L214 S215 G216 S295	L214-S255 PolarHBondContact O-N 3.43Å; S215-S255 CarbonylContact C-O 3.57Å; S215-S255 WeakPolarHBondContact CA-O 3.24Å; S215-S255 WeakPolarHBondContact CB-O 3.3Å; G216-S255 PolarHBondContact N-O 3.33Å; G216-S255 VanDerWaalsContact N-O 3.12Å; S255-S295 CarbonylContact C-O 3.54Å; S255-S295 WeakPolarHBondContact CA-O 3.25Å; S255-S295 WeakPolarHBondContact CB-O 3.2Å
256	G	52.2	Low	57.4	Low	32 Å²	32	35.8 Å²	35.8	33%	0.33	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	69.6	55	179.5	0	0	0	0	0	111	G216 L217 S295 G296	G216-G256 CarbonylContact C-O 3.53Å; G216-G256 WeakPolarHBondContact CA-O 3.4Å; G216-G256 PolarHBondContact N-O 3.24Å; L217-G256 PolarHBondContact N-O 2.87Å; G256-S295 PolarHBondContact N-O 3.24Å; G256-G296 CarbonylContact C-O 3.51Å; G256-G296 WeakPolarHBondContact CA-O 3.35Å; G256-G296 PolarHBondContact N-O 2.86Å
257	L	63.8	Low	58.1	Low	5 Å²	5	35.5 Å²	35.5	3%	0.026	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	118.1	157.9	-46	-172.9	0	0	0	106.2	L214 L217 I227 L254 I265 I267 G296 L297 S298	L214-L257 HydrophobicContact CD2-CD2 3.8Å; L217-L257 HydrophobicContact CB-CD2 3.54Å; L217-L257 HydrophobicContact CD1-CD2 3.55Å; L217-L257 HydrophobicContact CG-CD2 3.36Å; L217-L257 CarbonylContact O-C 3.51Å; L217-L257 VanDerWaalsContact O-CA 3.26Å; L217-L257 WeakPolarHBondContact O-CA 3.31Å; I227-L257 HydrophobicContact CD1-CD1 3.98Å; I227-L257 HydrophobicContact CD1-CD2 4.38Å; L254-L257 HydrophobicContact CD2-CD1 3.73Å; L254-L257 HydrophobicContact CD2-CD2 4.19Å; L254-L257 HydrophobicContact CD2-CG 3.75Å; L257-I265 HydrophobicContact CD1-CD1 4.47Å; L257-I265 HydrophobicContact CD1-CG2 4.13Å; L257-I267 HydrophobicContact CD1-CD1 3.61Å; L257-G296 PolarHBondContact N-O 2.77Å; L257-L297 HydrophobicContact CB-CD2 3.51Å; L257-L297 HydrophobicContact CD1-CD2 3.5Å; L257-L297 VanDerWaalsContact CD1-CD2 3.5Å; L257-L297 HydrophobicContact CG-CD2 3.34Å; L257-L297 CarbonylContact O-C 3.53Å; L257-L297 VanDerWaalsContact O-CA 3.3Å; L257-L297 WeakPolarHBondContact O-CA 3.36Å; L257-S298 PolarHBondContact O-N 2.77Å
258	S	59.8	Low	58.8	Low	49 Å²	49	35.4 Å²	35.4	34%	0.343	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	137.1	172.9	58.9	0	0	0	0	109.1	L217 S218 G219 S298	L217-S258 PolarHBondContact O-N 3.03Å; S218-S258 CarbonylContact C-O 3.48Å; S218-S258 VanDerWaalsContact CA-O 3.28Å; S218-S258 WeakPolarHBondContact CA-O 3.19Å; S218-S258 WeakPolarHBondContact CB-OG 3.39Å; G219-S258 PolarHBondContact N-O 3.16Å; S258-S298 VanDerWaalsContact CA-O 3.29Å; S258-S298 WeakPolarHBondContact CA-O 2.99Å; S258-S298 WeakPolarHBondContact CB-OG 3.47Å
259	G	57.2	Low	59.5	Low	7 Å²	7	34.3 Å²	34.3	7%	0.072	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	156.6	170.8	0	0	0	0	0	111.4	G219 S298 G299 E300 Q303	G219-G259 VanDerWaalsContact O-CA 3.27Å; G219-G259 WeakPolarHBondContact O-CA 3.49Å; G259-S298 PolarHBondContact N-O 3.24Å; G259-G299 VanDerWaalsContact O-CA 3.32Å; G259-G299 WeakPolarHBondContact O-CA 3.15Å; G259-E300 PolarHBondContact O-N 3.09Å; G259-Q303 PolarHBondContact O-NE2 3.08Å
260	E	61.6	Low	60	Low	74 Å²	74	27.3 Å²	27.3	35%	0.346	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	-84.9	170.2	-62.2	179	179.1	0	0	109.7	G219 E220 E300 N301 Q303	G219-E260 PolarHBondContact O-N 3.43Å; E220-E260 PolarHBondContact O-N 2.92Å; E260-E300 PolarHBondContact O-N 2.96Å; E260-N301 PolarHBondContact O-N 3.11Å; E260-Q303 PolarHBondContact O-NE2 2.97Å
261	N	64.2	Low	60	Low	57 Å²	57	27.3 Å²	27.3	31%	0.305	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	132.5	-168.7	-53.4	-57.5	0	0	0	114.7	E220 N221 G222 Q263 N301	E220-N261 PolarHBondContact O-N 2.93Å; N221-N261 WeakPolarHBondContact CA-O 3.39Å; N221-N261 VanDerWaalsContact OD1-CB 3.29Å; N221-N261 WeakPolarHBondContact OD1-CB 2.97Å; N221-N261 PolarHBondContact OD1-ND2 3.43Å; G222-N261 PolarHBondContact N-O 2.73Å; N261-Q263 VanDerWaalsContact C-N 3.34Å; N261-Q263 PolarHBondContact O-N 2.76Å; N261-N301 CarbonylContact C-O 3.55Å; N261-N301 WeakPolarHBondContact CA-O 3.45Å; N261-N301 VanDerWaalsContact OD1-CB 3.31Å; N261-N301 WeakPolarHBondContact OD1-CB 3.17Å; N261-N301 PolarHBondContact OD1-ND2 2.97Å
262	G	54.8	Low	59.9	Low	39 Å²	39	25.2 Å²	25.2	40%	0.402	16%	0.16	S	C	.	.	S	Bend	trans	68.1	21.5	160.8	0	0	0	0	0	116.5	N301	G262-N301 PolarHBondContact N-O 2.76Å
263	Q	62.8	Low	59.6	Low	1 Å²	1	25.8 Å²	25.8	1%	0.005	17%	0.166	C	C	.	.			trans	-79.4	142.6	-178.6	-59.4	178.6	11.4	0	0	112.6	G219 E220 Q223 N261 I265 Q303 V304	G219-Q263 VanDerWaalsContact CA-NE2 3.34Å; G219-Q263 PolarHBondContact O-NE2 2.77Å; E220-Q263 PolarHBondContact O-NE2 2.93Å; Q223-Q263 HydrophobicContact CB-CG 4.19Å; Q223-Q263 CarbonylContact O-C 3.5Å; Q223-Q263 VanDerWaalsContact O-CA 3.28Å; Q223-Q263 WeakPolarHBondContact O-CA 3.2Å; N261-Q263 VanDerWaalsContact C-N 3.34Å; N261-Q263 PolarHBondContact O-N 2.76Å; Q263-I265 HydrophobicContact CB-CG1 4.49Å; Q263-Q303 HydrophobicContact CB-CG 4.07Å; Q263-Q303 CarbonylContact O-C 3.57Å; Q263-Q303 VanDerWaalsContact O-CA 3.26Å; Q263-Q303 WeakPolarHBondContact O-CA 3.49Å; Q263-V304 PolarHBondContact O-N 2.93Å
264	V	60.2	Low	58.9	Low	37 Å²	37	24.1 Å²	24.1	22%	0.224	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	116.3	172.6	-172.1	0	0	0	0	109.9	Q223 V224 I225 Y266 V304 Y306	Q223-V264 PolarHBondContact O-N 2.78Å; V224-V264 CarbonylContact C-O 3.49Å; V224-V264 WeakPolarHBondContact CA-O 3.31Å; V224-V264 HydrophobicContact CG1-CB 4.45Å; I225-V264 PolarHBondContact N-O 2.62Å; V264-Y266 HydrophobicContact CB-CE2 4.4Å; V264-Y266 HydrophobicContact CG1-CD2 4.12Å; V264-Y266 HydrophobicContact CG1-CE2 3.35Å; V264-V304 CarbonylContact C-O 3.58Å; V264-V304 WeakPolarHBondContact CA-O 3.44Å; V264-V304 HydrophobicContact CG1-CB 4.46Å; V264-Y306 HydrophobicContact CG1-CD2 4.48Å; V264-Y306 HydrophobicContact CG1-CE2 4.28Å
265	I	58.5	Low	58.2	Low	3 Å²	3	27.6 Å²	27.6	2%	0.015	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	120.2	-173.5	-51.7	177.9	0	0	0	110.3	I225 L257 Q263 I267 V304 I305 Y306	I225-I265 HydrophobicContact CB-CG1 4.44Å; I225-I265 HydrophobicContact CB-CG2 4.33Å; I225-I265 HydrophobicContact CD1-CG1 4.47Å; I225-I265 CarbonylContact O-C 3.54Å; I225-I265 WeakPolarHBondContact O-CA 3.03Å; L257-I265 HydrophobicContact CD1-CD1 4.47Å; L257-I265 HydrophobicContact CD1-CG2 4.13Å; Q263-I265 HydrophobicContact CB-CG1 4.49Å; I265-I267 HydrophobicContact CG2-CD1 3.97Å; I265-I267 HydrophobicContact CG2-CG1 3.64Å; I265-V304 PolarHBondContact N-O 2.92Å; I265-I305 HydrophobicContact CB-CG1 4.36Å; I265-I305 HydrophobicContact CB-CG2 4.3Å; I265-I305 HydrophobicContact CD1-CG1 4.44Å; I265-I305 CarbonylContact O-C 3.53Å; I265-I305 WeakPolarHBondContact O-CA 3.3Å; I265-Y306 PolarHBondContact O-N 2.85Å
266	Y	57.9	Low	56.9	Low	83 Å²	83	25.9 Å²	25.9	33%	0.325	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	108.9	174.4	-62.5	-88.8	0	0	0	110.4	V224 I225 Y226 I227 V264 Y306	V224-Y266 HydrophobicContact CG1-CE2 4.33Å; I225-Y266 PolarHBondContact O-N 2.87Å; Y226-Y266 AromaticContact CD1-CD2 3.6Å; Y226-Y266 HydrophobicContact CD1-CD2 3.6Å; Y226-Y266 HydrophobicContact CD1-CE2 4.45Å; Y226-Y266 AromaticContact CD1-CG 3.86Å; Y226-Y266 HydrophobicContact CD1-CG 3.86Å; Y226-Y266 AromaticContact CE1-CD2 3.21Å; Y226-Y266 HydrophobicContact CE1-CD2 3.21Å; Y226-Y266 AromaticContact CE1-CE2 3.63Å; Y226-Y266 HydrophobicContact CE1-CE2 3.63Å; Y226-Y266 AromaticContact CE1-CG 3.75Å; Y226-Y266 HydrophobicContact CE1-CG 3.75Å; Y226-Y266 HydrophobicContact CG-CD2 4.42Å; Y226-Y266 AromaticContact CZ-CD2 3.78Å; Y226-Y266 AromaticContact CZ-CE2 3.88Å; I227-Y266 PolarHBondContact N-O 3.08Å; V264-Y266 HydrophobicContact CB-CE2 4.4Å; V264-Y266 HydrophobicContact CG1-CD2 4.12Å; V264-Y266 HydrophobicContact CG1-CE2 3.35Å; Y266-Y306 AromaticContact CD1-CD2 3.62Å; Y266-Y306 HydrophobicContact CD1-CD2 3.62Å; Y266-Y306 HydrophobicContact CD1-CE2 4.5Å; Y266-Y306 AromaticContact CD1-CG 3.88Å; Y266-Y306 HydrophobicContact CD1-CG 3.88Å; Y266-Y306 AromaticContact CE1-CD2 3.22Å; Y266-Y306 HydrophobicContact CE1-CD2 3.22Å; Y266-Y306 AromaticContact CE1-CE2 3.68Å; Y266-Y306 HydrophobicContact CE1-CE2 3.68Å; Y266-Y306 AromaticContact CE1-CG 3.76Å; Y266-Y306 HydrophobicContact CE1-CG 3.76Å; Y266-Y306 HydrophobicContact CG-CD2 4.44Å; Y266-Y306 AromaticContact CZ-CD2 3.79Å; Y266-Y306 AromaticContact CZ-CE2 3.93Å
267	I	57	Low	55.9	Low	1 Å²	1	31 Å²	31	1%	0.005	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	114.8	-179	-50.2	179.4	0	0	0	110.1	I227 L254 L257 I265 L294 L297 Y306 I307 T308	I227-I267 HydrophobicContact CD1-CG1 4.38Å; I227-I267 CarbonylContact O-C 3.44Å; L254-I267 HydrophobicContact CD1-CD1 4.29Å; L254-I267 HydrophobicContact CD1-CG2 3.92Å; L254-I267 HydrophobicContact CD2-CD1 4.03Å; L257-I267 HydrophobicContact CD1-CD1 3.61Å; I265-I267 HydrophobicContact CG2-CD1 3.97Å; I265-I267 HydrophobicContact CG2-CG1 3.64Å; I267-L294 HydrophobicContact CD1-CD1 3.98Å; I267-L294 HydrophobicContact CG2-CD1 4.11Å; I267-L297 HydrophobicContact CD1-CD1 4.25Å; I267-Y306 PolarHBondContact N-O 2.76Å; I267-I307 HydrophobicContact CB-CG2 4.44Å; I267-I307 HydrophobicContact CD1-CG1 4.44Å; I267-I307 CarbonylContact O-C 3.58Å; I267-T308 PolarHBondContact O-N 2.91Å
268	T	60.5	Low	54.7	Low	45 Å²	45	31.2 Å²	31.2	28%	0.276	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	104.2	170.1	-64.3	0	0	0	0	109.8	I227 T228 M229 S271 T308	I227-T268 PolarHBondContact O-N 3.1Å; T228-T268 WeakPolarHBondContact CA-O 3.38Å; M229-T268 PolarHBondContact N-O 2.9Å; T268-S271 VanDerWaalsContact CG2-CB 3.43Å; T268-S271 WeakPolarHBondContact CG2-OG 3.28Å; T268-T308 CarbonylContact C-O 3.55Å; T268-T308 WeakPolarHBondContact CA-O 3.16Å
269	M	61.1	Low	53.5	Low	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	132.4	-178.2	-162.9	-165.8	-56.7	0	0	112.3	M229 L254 S271 L294 T308 M309 N310	M229-M269 HydrophobicContact CB-CG 4.26Å; M229-M269 HydrophobicContact CE-CE 3.8Å; M229-M269 HydrophobicContact CE-CG 4.13Å; M229-M269 HydrophobicContact CE-SD 4.33Å; L254-M269 HydrophobicContact CB-CE 3.38Å; L254-M269 HydrophobicContact CD1-CE 4.48Å; L254-M269 HydrophobicContact CG-CE 4.5Å; M269-S271 PolarHBondContact O-N 2.92Å; M269-S271 PolarHBondContact O-OG 2.78Å; M269-L294 HydrophobicContact CE-CB 4.05Å; M269-L294 HydrophobicContact CE-CD1 3.97Å; M269-L294 HydrophobicContact CE-CG 4.42Å; M269-T308 PolarHBondContact N-O 2.89Å; M269-M309 HydrophobicContact CB-CG 4.07Å; M269-M309 HydrophobicContact CB-SD 4.34Å; M269-M309 HydrophobicContact CE-SD 3.87Å; M269-M309 WeakPolarHBondContact O-CA 3.44Å; M269-M309 HydrophobicContact SD-SD 4.03Å; M269-N310 PolarHBondContact O-N 2.92Å
270	N	63.7	Low	52.3	Low	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.2	C	C	.	.	S	Bend	trans	55.8	32.7	174.8	-59.4	-35	0	0	0	112.7	M229 N230 R250 R290 N291 G292 N310	M229-N270 PolarHBondContact O-N 3.01Å; N230-N270 VanDerWaalsContact CB-OD1 3.24Å; N230-N270 WeakPolarHBondContact CB-OD1 3.49Å; N230-N270 PolarHBondContact ND2-OD1 3.22Å; N230-N270 VanDerWaalsContact ND2-OD1 3.08Å; R250-N270 HydrophobicContact CB-CB 4.19Å; R250-N270 WeakPolarHBondContact CB-OD1 3.27Å; N270-R290 HydrophobicContact CB-CB 4.39Å; N270-R290 VanDerWaalsContact O-CD 3.29Å; N270-R290 WeakPolarHBondContact O-CD 3.33Å; N270-R290 PolarHBondContact O-NH1 2.95Å; N270-N291 PolarHBondContact ND2-O 3.09Å; N270-G292 WeakPolarHBondContact ND2-CA 3.24Å; N270-N310 VanDerWaalsContact CB-OD1 3.25Å; N270-N310 WeakPolarHBondContact CB-OD1 3.29Å; N270-N310 PolarHBondContact ND2-OD1 2.78Å; N270-N310 VanDerWaalsContact ND2-OD1 3.16Å
271	S	59.5	Low	51	Low	14 Å²	14	37.1 Å²	37.1	10%	0.098	19%	0.187	C	C	.	.			trans	-94.4	144.2	-175.2	-66.3	0	0	0	0	112.1	S231 S232 R250 T268 M269 S311	S231-S271 CarbonylContact C-O 3.53Å; S231-S271 WeakPolarHBondContact CA-O 3.27Å; S232-S271 PolarHBondContact N-O 3.23Å; R250-S271 PolarHBondContact NH1-O 3Å; T268-S271 VanDerWaalsContact CG2-CB 3.43Å; T268-S271 WeakPolarHBondContact CG2-OG 3.28Å; M269-S271 PolarHBondContact O-N 2.92Å; M269-S271 PolarHBondContact O-OG 2.78Å; S271-S311 CarbonylContact C-O 3.53Å; S271-S311 VanDerWaalsContact CA-O 3.25Å; S271-S311 WeakPolarHBondContact CA-O 3.44Å
272	S	56.3	Low	49.6	Very low	5 Å²	5	39.4 Å²	39.4	4%	0.035	19%	0.194	C	C	.	.	B	Isolated β-bridge	trans	-142.3	132.7	175.3	82.2	0	0	0	0	113.4	S232 L286 R290 S311 S312 G313	S232-S272 WeakPolarHBondContact O-CA 3.28Å; S232-S272 VanDerWaalsContact O-CB 3.22Å; S232-S272 WeakPolarHBondContact O-CB 3.3Å; S272-L286 WeakPolarHBondContact OG-CD1 3.33Å; S272-R290 PolarHBondContact OG-NH2 3.33Å; S272-S311 PolarHBondContact N-O 2.84Å; S272-S312 WeakPolarHBondContact O-CA 2.93Å; S272-S312 WeakPolarHBondContact O-CB 3.29Å; S272-G313 PolarHBondContact O-N 3.47Å
273	G	53.8	Low	48.7	Very low	15 Å²	15	40 Å²	40	16%	0.155	19%	0.191	C	C	.	.			trans	173.5	139.9	-179.7	0	0	0	0	0	108.7	S232 G233 G313	S232-G273 PolarHBondContact O-N 3.21Å; G233-G273 VanDerWaalsContact CA-O 3.27Å; G233-G273 WeakPolarHBondContact CA-O 3.41Å; G273-G313 VanDerWaalsContact CA-O 3.26Å; G273-G313 WeakPolarHBondContact CA-O 3.29Å
274	P	47.5	Very low	47.6	Very low	1 Å²	1	40.1 Å²	40.1	1%	0.006	19%	0.192	C	C	.	.			trans	-69.7	138.6	166.5	21.3	-19.3	0	0	0	110.4	P234 Y281 P314 N315	P234-P274 HydrophobicContact CG-CB 3.94Å; P234-P274 WeakPolarHBondContact O-CA 3.48Å; P234-P274 WeakPolarHBondContact O-CB 3.28Å; P274-Y281 HydrophobicContact CG-CE2 4.27Å; P274-Y281 WeakPolarHBondContact CG-OH 3.09Å; P274-P314 HydrophobicContact CG-CB 4.01Å; P274-P314 CarbonylContact O-C 3.58Å; P274-P314 VanDerWaalsContact O-CA 3.24Å; P274-P314 WeakPolarHBondContact O-CA 3.24Å; P274-N315 PolarHBondContact O-N 3.23Å
275	N	44.7	Very low	46.6	Very low	74 Å²	74	46.6 Å²	46.6	40%	0.396	21%	0.212	S	C	.	.	B	Isolated β-bridge	trans	-94.7	116.3	159.4	-70	-14.6	0	0	0	106.3	P234 N235 S236 N315	P234-N275 PolarHBondContact O-N 2.87Å; N235-N275 WeakPolarHBondContact CA-O 3.25Å; N235-N275 WeakPolarHBondContact OD1-CB 2.78Å; S236-N275 PolarHBondContact N-O 2.88Å; N275-N315 WeakPolarHBondContact OD1-CB 3.1Å; N275-N315 PolarHBondContact OD1-ND2 3.41Å
276	S	36.9	Very low	45.7	Very low	2 Å²	2	46.7 Å²	46.7	1%	0.014	21%	0.213	C	C	.	.			trans	-157.7	129.1	-172.2	54.8	0	0	0	0	114.2	S236 H278 N315 S316	S236-S276 VanDerWaalsContact O-CA 3.26Å; S236-S276 WeakPolarHBondContact O-CA 3.36Å; S236-S276 WeakPolarHBondContact O-CB 3.2Å; S276-H278 WeakPolarHBondContact CB-CD2 3.35Å; S276-H278 WeakPolarHBondContact CB-NE2 3.24Å; S276-H278 PolarHBondContact OG-CD2 2.87Å; S276-H278 PolarHBondContact OG-NE2 3.11Å; S276-N315 PolarHBondContact N-O 2.9Å; S276-S316 WeakPolarHBondContact O-CA 3.4Å; S276-S316 WeakPolarHBondContact O-CB 3.44Å
277	Y	31.6	Very low	45	Very low	139 Å²	139	45 Å²	45	55%	0.545	21%	0.213	S	C	.	.			trans	-90	111.3	174.3	-59.9	-94.1	0	0	0	108.5	H237 H317	H237-Y277 AromaticContact CE1-CD2 3.41Å; H237-Y277 VanDerWaalsContact CE1-CD2 3.41Å; H237-Y277 WeakPolarHBondContact CE1-CD2 3.37Å; H237-Y277 AromaticContact CE1-CE2 3.68Å; H237-Y277 AromaticContact ND1-CD2 3.42Å; H237-Y277 WeakPolarHBondContact ND1-CD2 3.38Å; Y277-H317 HydrophobicContact CD1-CB 4.16Å; Y277-H317 AromaticContact CD1-CD2 3.97Å; Y277-H317 AromaticContact CE1-CD2 3.59Å
278	H	40.2	Very low	44.6	Very low	9 Å²	9	46.1 Å²	46.1	4%	0.042	23%	0.225	C	C	.	.			trans	-148	148.5	-167.7	-69.2	-42.2	0	0	0	113.8	S236 H238 F241 S276 Y281 H317 H318	S236-H278 PolarHBondContact O-CE1 2.82Å; H238-H278 VanDerWaalsContact C-ND1 3.34Å; H238-H278 PolarHBondContact N-CE1 2.82Å; H238-H278 PolarHBondContact N-ND1 2.88Å; H238-H278 PolarHBondContact O-CE1 3.39Å; H238-H278 PolarHBondContact O-ND1 2.88Å; F241-H278 AromaticContact CD1-NE2 3.73Å; F241-H278 AromaticContact CG-NE2 3.86Å; S276-H278 WeakPolarHBondContact CB-CD2 3.35Å; S276-H278 WeakPolarHBondContact CB-NE2 3.24Å; S276-H278 PolarHBondContact OG-CD2 2.87Å; S276-H278 PolarHBondContact OG-NE2 3.11Å; H278-Y281 AromaticContact CD2-CD2 3.69Å; H278-H317 PolarHBondContact N-O 2.87Å; H278-H318 CarbonylContact O-C 3.51Å; H278-H318 VanDerWaalsContact O-CB 3.3Å; H278-H318 WeakPolarHBondContact O-CB 3.29Å
279	N	33.9	Very low	44.2	Very low	72 Å²	72	48.7 Å²	48.7	39%	0.385	23%	0.23	S	C	.	.	S	Bend	trans	-96.3	-19.7	175	-101	-17.1	0	0	0	113.8	L239 L319	L239-N279 HydrophobicContact CD1-CB 4.05Å; L239-N279 HydrophobicContact CD2-CB 3.22Å; L239-N279 HydrophobicContact CG-CB 3.88Å; N279-L319 WeakPolarHBondContact OD1-CD1 2.89Å
280	R	32	Very low	44	Very low	164 Å²	164	49.5 Å²	49.5	62%	0.619	23%	0.233	S	C	*	.	S	Bend	trans	-150.2	123.7	174.6	-61.3	-170.4	-143.1	-179.9	8.2	113.8	P240 F241 F321	P240-R280 HydrophobicContact CB-CB 4.33Å; F241-R280 PolarHBondContact N-O 3.41Å; R280-F321 HydrophobicContact CB-CD2 4.38Å; R280-F321 HydrophobicContact CB-CE2 3.4Å; R280-F321 HydrophobicContact CB-CZ 3.69Å; R280-F321 HydrophobicContact CG-CE2 3.72Å; R280-F321 HydrophobicContact CG-CZ 4.06Å
281	Y	34.9	Very low	43.7	Very low	18 Å²	18	51.3 Å²	51.3	7%	0.071	24%	0.242	C	C	.	.	B	Isolated β-bridge	trans	-133.7	118.5	-166.7	-170.5	-91.7	0	0	0	113.4	F241 P243 P274 H278 T284 F321	F241-Y281 AromaticContact CD1-CD2 3.79Å; F241-Y281 HydrophobicContact CD1-CD2 3.79Å; F241-Y281 AromaticContact CD1-CE2 3.43Å; F241-Y281 HydrophobicContact CD1-CE2 3.43Å; F241-Y281 VanDerWaalsContact CD1-CE2 3.43Å; F241-Y281 AromaticContact CE1-CE2 3.74Å; F241-Y281 HydrophobicContact CE1-CE2 3.74Å; P243-Y281 HydrophobicContact CB-CE2 4.5Å; P243-Y281 WeakPolarHBondContact CB-OH 3.34Å; P243-Y281 HydrophobicContact CG-CE1 3.81Å; P243-Y281 HydrophobicContact CG-CE2 4.2Å; P243-Y281 VanDerWaalsContact CG-OH 3.29Å; P243-Y281 WeakPolarHBondContact CG-OH 3.12Å; P274-Y281 HydrophobicContact CG-CE2 4.27Å; P274-Y281 WeakPolarHBondContact CG-OH 3.09Å; H278-Y281 AromaticContact CD2-CD2 3.69Å; Y281-T284 PolarHBondContact OH-OG1 3.01Å; Y281-F321 VanDerWaalsContact N-CE2 3.31Å; Y281-F321 WeakPolarHBondContact O-CB 3.25Å; Y281-F321 WeakPolarHBondContact O-CD1 3.32Å; Y281-F321 WeakPolarHBondContact O-CG 3.26Å
282	F	34.2	Very low	43.6	Very low	105 Å²	105	50.8 Å²	50.8	46%	0.461	24%	0.24	S	C	.	.			trans	-81.7	145.5	169.3	-65.8	-86.3	0	0	0	111.1	F241 S242 P243	F241-F282 PolarHBondContact O-N 3.02Å; S242-F282 WeakPolarHBondContact OG-CB 3.4Å; S242-F282 WeakPolarHBondContact OG-CD2 3.28Å; P243-F282 WeakPolarHBondContact CD-O 3.38Å; P243-F282 WeakPolarHBondContact CG-O 2.97Å
283	P	36.8	Very low	43.9	Very low	52 Å²	52	52.6 Å²	52.6	34%	0.338	25%	0.252	S	S	.	.			trans	-64.6	131.2	-177	11	-23.1	0	0	0	116.9	R285 S322 P324	P283-R285 PolarHBondContact O-N 2.83Å; P283-S322 VanDerWaalsContact CB-O 3.22Å; P283-S322 WeakPolarHBondContact CB-O 3.03Å; P283-S322 WeakPolarHBondContact CD-O 3.33Å; P283-S322 WeakPolarHBondContact CG-O 3.26Å; P283-P324 HydrophobicContact CB-CB 3.44Å; P283-P324 VanDerWaalsContact CB-CB 3.44Å; P283-P324 HydrophobicContact CB-CG 4.08Å; P283-P324 VanDerWaalsContact CB-N 3.33Å
284	T	38.5	Very low	44	Very low	3 Å²	3	51.9 Å²	51.9	2%	0.018	25%	0.245	C	C	.	.			trans	-74.1	101.9	170.5	-29.8	0	0	0	0	115.7	P243 P244 L246 Y281 L286 P324	P243-T284 HydrophobicContact CB-CG2 3.66Å; P243-T284 WeakPolarHBondContact CB-OG1 3.43Å; P243-T284 HydrophobicContact CG-CG2 4.03Å; P243-T284 VanDerWaalsContact CG-N 3.31Å; P243-T284 WeakPolarHBondContact CG-OG1 3.28Å; P244-T284 WeakPolarHBondContact O-CG2 3.2Å; L246-T284 HydrophobicContact CG-CG2 4.33Å; Y281-T284 PolarHBondContact OH-OG1 3.01Å; T284-L286 HydrophobicContact CG2-CD2 3.55Å; T284-L286 HydrophobicContact CG2-CG 4.33Å; T284-L286 PolarHBondContact O-N 2.73Å; T284-P324 VanDerWaalsContact C-CG 3.5Å; T284-P324 VanDerWaalsContact N-CB 3.32Å; T284-P324 VanDerWaalsContact N-CG 3.32Å; T284-P324 WeakPolarHBondContact O-CB 3.42Å; T284-P324 WeakPolarHBondContact O-CG 3.14Å
285	R	39.2	Very low	44.8	Very low	173 Å²	173	53.8 Å²	53.8	65%	0.653	26%	0.258	S	S	*	.			trans	-64.1	97.6	173.4	-75.7	-172.6	-174.8	-168.7	3.1	112	P245 L246 P283 P325	P245-R285 CarbonylContact C-O 3.6Å; P245-R285 WeakPolarHBondContact CA-O 3.37Å; P245-R285 HydrophobicContact CB-CB 4.18Å; P245-R285 WeakPolarHBondContact CB-O 3.18Å; L246-R285 PolarHBondContact N-O 2.68Å; P283-R285 PolarHBondContact O-N 2.83Å; R285-P325 HydrophobicContact CG-CG 4.14Å
286	L	39.6	Very low	45.1	Very low	6 Å²	6	51.8 Å²	51.8	3%	0.031	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	115	174.4	-49.3	176	0	0	0	108.6	L246 S272 T284 L326 S327	L246-L286 HydrophobicContact CB-CD2 3.48Å; L246-L286 VanDerWaalsContact CB-CD2 3.48Å; L246-L286 HydrophobicContact CD1-CD2 3.43Å; L246-L286 VanDerWaalsContact CD1-CD2 3.43Å; L246-L286 HydrophobicContact CG-CD2 3.49Å; L246-L286 VanDerWaalsContact CG-CD2 3.49Å; L246-L286 WeakPolarHBondContact O-CA 3.34Å; S272-L286 WeakPolarHBondContact OG-CD1 3.33Å; T284-L286 HydrophobicContact CG2-CD2 3.55Å; T284-L286 HydrophobicContact CG2-CG 4.33Å; T284-L286 PolarHBondContact O-N 2.73Å; L286-L326 HydrophobicContact CB-CD2 3.47Å; L286-L326 VanDerWaalsContact CB-CD2 3.47Å; L286-L326 HydrophobicContact CD1-CD2 3.32Å; L286-L326 HydrophobicContact CG-CD2 3.42Å; L286-L326 VanDerWaalsContact CG-CD2 3.42Å; L286-L326 WeakPolarHBondContact O-CA 3.48Å; L286-S327 PolarHBondContact O-N 3.12Å
287	S	44.2	Very low	46.4	Very low	47 Å²	47	51.8 Å²	51.8	33%	0.329	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	146.3	175.9	69.1	0	0	0	0	112.4	L246 S247 G248 S327	L246-S287 PolarHBondContact O-N 3.23Å; S247-S287 WeakPolarHBondContact CA-O 3.47Å; S247-S287 VanDerWaalsContact CB-OG 3.31Å; S247-S287 WeakPolarHBondContact CB-OG 3.13Å; G248-S287 PolarHBondContact N-O 2.74Å; G248-S287 VanDerWaalsContact N-O 3.16Å; S287-S327 CarbonylContact C-O 3.59Å; S287-S327 WeakPolarHBondContact CA-O 3.18Å; S287-S327 VanDerWaalsContact CB-OG 3.28Å; S287-S327 WeakPolarHBondContact CB-OG 3.32Å
288	G	47	Very low	47.6	Very low	25 Å²	25	47.5 Å²	47.5	26%	0.258	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	153.4	176.2	175.5	0	0	0	0	0	117.3	G248 S327 G328 R329	G248-G288 CarbonylContact O-C 3.53Å; G248-G288 WeakPolarHBondContact O-CA 3.41Å; G288-S327 PolarHBondContact N-O 2.75Å; G288-S327 VanDerWaalsContact N-O 3.14Å; G288-G328 CarbonylContact O-C 3.51Å; G288-G328 WeakPolarHBondContact O-CA 3.27Å; G288-R329 PolarHBondContact O-N 2.94Å; G288-R329 VanDerWaalsContact O-N 3.12Å
289	R	53	Low	48.4	Very low	98 Å²	98	47.3 Å²	47.3	37%	0.37	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	124.3	173.5	-172.1	174	-176.6	-168.6	0.7	108.9	G248 R249 R250 N291 R329	G248-R289 PolarHBondContact O-N 3.16Å; G248-R289 VanDerWaalsContact O-N 3.11Å; R249-R289 CarbonylContact C-O 3.37Å; R249-R289 VanDerWaalsContact CA-O 3.28Å; R249-R289 WeakPolarHBondContact CA-O 3.27Å; R249-R289 HydrophobicContact CG-CB 4.26Å; R250-R289 PolarHBondContact N-O 3.09Å; R289-N291 PolarHBondContact NE-ND2 2.86Å; R289-N291 PolarHBondContact NE-OD1 3.21Å; R289-R329 CarbonylContact C-O 3.59Å; R289-R329 VanDerWaalsContact CA-O 3.26Å; R289-R329 WeakPolarHBondContact CA-O 3.21Å; R289-R329 HydrophobicContact CG-CB 4.2Å
290	R	56	Low	49.6	Very low	18 Å²	18	47.7 Å²	47.7	7%	0.068	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	118.8	176.3	-55.3	-178.2	-172.7	-173	12.7	108.3	R250 N270 S272 N310 S311 R329 R330 N331	R250-R290 HydrophobicContact CB-CG 4.48Å; R250-R290 CarbonylContact O-C 3.36Å; R250-R290 WeakPolarHBondContact O-CA 3.26Å; N270-R290 HydrophobicContact CB-CB 4.39Å; N270-R290 VanDerWaalsContact O-CD 3.29Å; N270-R290 WeakPolarHBondContact O-CD 3.33Å; N270-R290 PolarHBondContact O-NH1 2.95Å; S272-R290 PolarHBondContact OG-NH2 3.33Å; R290-N310 HydrophobicContact CB-CB 4.35Å; R290-N310 WeakPolarHBondContact CB-OD1 3.42Å; R290-S311 PolarHBondContact NH1-O 3.15Å; R290-R329 PolarHBondContact N-O 2.96Å; R290-R330 HydrophobicContact CB-CG 4.42Å; R290-R330 CarbonylContact O-C 3.51Å; R290-R330 WeakPolarHBondContact O-CA 3.23Å; R290-N331 PolarHBondContact O-N 3.32Å
291	N	57.2	Low	51	Low	37 Å²	37	42.6 Å²	42.6	20%	0.198	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	112.1	173.2	-61.6	-17.1	0	0	0	106.8	R250 N251 G252 N270 R289 N331	R250-N291 PolarHBondContact O-N 2.81Å; N251-N291 CarbonylContact C-O 3.57Å; N251-N291 WeakPolarHBondContact CA-O 2.85Å; G252-N291 PolarHBondContact N-O 2.87Å; N270-N291 PolarHBondContact ND2-O 3.09Å; R289-N291 PolarHBondContact NE-ND2 2.86Å; R289-N291 PolarHBondContact NE-OD1 3.21Å; N291-N331 CarbonylContact C-O 3.54Å; N291-N331 WeakPolarHBondContact CA-O 3.34Å
292	G	58.7	Low	52	Low	4 Å²	4	43.6 Å²	43.6	4%	0.041	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	128	175	0	0	0	0	0	108.8	G252 N270 N331 G332 S333	G252-G292 CarbonylContact O-C 3.6Å; G252-G292 VanDerWaalsContact O-CA 3.32Å; G252-G292 WeakPolarHBondContact O-CA 3.43Å; N270-G292 WeakPolarHBondContact ND2-CA 3.24Å; G292-N331 PolarHBondContact N-O 2.95Å; G292-G332 CarbonylContact O-C 3.6Å; G292-G332 VanDerWaalsContact O-CA 3.3Å; G292-G332 WeakPolarHBondContact O-CA 3.38Å; G292-S333 PolarHBondContact O-N 2.94Å
293	S	61.4	Low	53.2	Low	43 Å²	43	38.7 Å²	38.7	30%	0.301	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	130.7	163.4	58.6	0	0	0	0	108.2	G252 S253 L254 S333	G252-S293 PolarHBondContact O-N 3.31Å; S253-S293 CarbonylContact C-O 3.54Å; S253-S293 VanDerWaalsContact CA-O 3.24Å; S253-S293 WeakPolarHBondContact CA-O 3.44Å; S253-S293 WeakPolarHBondContact CB-OG 3.34Å; L254-S293 PolarHBondContact N-O 2.94Å; S293-S333 CarbonylContact C-O 3.14Å; S293-S333 VanDerWaalsContact CA-O 3.32Å; S293-S333 WeakPolarHBondContact CA-O 3.28Å; S293-S333 WeakPolarHBondContact CA-OG 3.29Å; S293-S333 WeakPolarHBondContact CB-OG 3.45Å
294	L	57.3	Low	54.3	Low	0 Å²	0	37.9 Å²	37.9	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	125.4	173.6	-176.7	154.6	0	0	0	107.8	L254 I267 M269 L297 I307 M309 S333 L334 S335 L337	L254-L294 HydrophobicContact CB-CD1 4.28Å; L254-L294 HydrophobicContact CB-CG 4.18Å; L254-L294 HydrophobicContact CD2-CD1 3.74Å; L254-L294 HydrophobicContact CD2-CD2 4.42Å; L254-L294 HydrophobicContact CD2-CG 3.71Å; L254-L294 HydrophobicContact CG-CD1 4.49Å; L254-L294 CarbonylContact O-C 3.55Å; L254-L294 VanDerWaalsContact O-CA 3.28Å; L254-L294 WeakPolarHBondContact O-CA 3.48Å; I267-L294 HydrophobicContact CD1-CD1 3.98Å; I267-L294 HydrophobicContact CG2-CD1 4.11Å; M269-L294 HydrophobicContact CE-CB 4.05Å; M269-L294 HydrophobicContact CE-CD1 3.97Å; M269-L294 HydrophobicContact CE-CG 4.42Å; L294-L297 HydrophobicContact CD2-CD1 3.59Å; L294-L297 HydrophobicContact CD2-CD2 4.07Å; L294-L297 HydrophobicContact CD2-CG 3.64Å; L294-I307 HydrophobicContact CD1-CD1 4.21Å; L294-I307 HydrophobicContact CD1-CG2 3.92Å; L294-I307 HydrophobicContact CD2-CD1 4.11Å; L294-M309 HydrophobicContact CB-CE 4.08Å; L294-M309 HydrophobicContact CB-SD 3.75Å; L294-M309 HydrophobicContact CD1-SD 4.15Å; L294-S333 PolarHBondContact N-O 3.27Å; L294-L334 HydrophobicContact CB-CD2 3.59Å; L294-L334 HydrophobicContact CD1-CD2 4.29Å; L294-L334 HydrophobicContact CD2-CD2 3.31Å; L294-L334 HydrophobicContact CG-CD2 3.88Å; L294-L334 WeakPolarHBondContact O-CA 3.48Å; L294-S335 PolarHBondContact O-N 3.39Å; L294-L337 HydrophobicContact CD2-CD2 3.74Å
295	S	62.7	Low	55.2	Low	40 Å²	40	37.8 Å²	37.8	28%	0.28	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	149.4	-174.6	59.8	0	0	0	0	116.7	L254 S255 G256 S335	L254-S295 PolarHBondContact O-N 3.46Å; S255-S295 CarbonylContact C-O 3.54Å; S255-S295 WeakPolarHBondContact CA-O 3.25Å; S255-S295 WeakPolarHBondContact CB-O 3.2Å; G256-S295 PolarHBondContact N-O 3.24Å; S295-S335 CarbonylContact C-O 3.53Å; S295-S335 WeakPolarHBondContact CA-O 3.47Å; S295-S335 WeakPolarHBondContact CB-O 3.23Å; S295-S335 WeakPolarHBondContact CB-OG 3.26Å
296	G	52.6	Low	56.1	Low	33 Å²	33	33.6 Å²	33.6	34%	0.34	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	69	53	-179.6	0	0	0	0	0	111.1	G256 L257 S335 G336	G256-G296 CarbonylContact C-O 3.51Å; G256-G296 WeakPolarHBondContact CA-O 3.35Å; G256-G296 PolarHBondContact N-O 2.86Å; L257-G296 PolarHBondContact N-O 2.77Å; G296-S335 PolarHBondContact N-O 3.36Å; G296-G336 CarbonylContact C-O 3.56Å; G296-G336 WeakPolarHBondContact CA-O 3.31Å; G296-G336 PolarHBondContact N-O 2.87Å
297	L	62.6	Low	56.9	Low	2 Å²	2	33.4 Å²	33.4	1%	0.01	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	115.4	158.9	-52.5	-171.2	0	0	0	105.9	L254 L257 I267 L294 I305 I307 G336 L337 S338	L254-L297 HydrophobicContact CD2-CD2 3.8Å; L257-L297 HydrophobicContact CB-CD2 3.51Å; L257-L297 HydrophobicContact CD1-CD2 3.5Å; L257-L297 VanDerWaalsContact CD1-CD2 3.5Å; L257-L297 HydrophobicContact CG-CD2 3.34Å; L257-L297 CarbonylContact O-C 3.53Å; L257-L297 VanDerWaalsContact O-CA 3.3Å; L257-L297 WeakPolarHBondContact O-CA 3.36Å; I267-L297 HydrophobicContact CD1-CD1 4.25Å; L294-L297 HydrophobicContact CD2-CD1 3.59Å; L294-L297 HydrophobicContact CD2-CD2 4.07Å; L294-L297 HydrophobicContact CD2-CG 3.64Å; L297-I305 HydrophobicContact CD1-CD1 4.18Å; L297-I305 HydrophobicContact CD1-CG2 4.06Å; L297-I307 HydrophobicContact CD1-CD1 3.67Å; L297-G336 PolarHBondContact N-O 2.92Å; L297-L337 HydrophobicContact CB-CD2 3.67Å; L297-L337 HydrophobicContact CD1-CD2 3.65Å; L297-L337 HydrophobicContact CG-CD2 3.47Å; L297-L337 VanDerWaalsContact CG-CD2 3.47Å; L297-L337 CarbonylContact O-C 3.53Å; L297-L337 VanDerWaalsContact O-CA 3.31Å; L297-L337 WeakPolarHBondContact O-CA 3.24Å; L297-S338 PolarHBondContact O-N 3.41Å
298	S	58.8	Low	57.6	Low	48 Å²	48	33.4 Å²	33.4	34%	0.336	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	136.9	173.7	58.6	0	0	0	0	109.3	L257 S258 G259 S338	L257-S298 PolarHBondContact O-N 2.77Å; S258-S298 VanDerWaalsContact CA-O 3.29Å; S258-S298 WeakPolarHBondContact CA-O 2.99Å; S258-S298 WeakPolarHBondContact CB-OG 3.47Å; G259-S298 PolarHBondContact N-O 3.24Å; S298-S338 CarbonylContact C-O 3.52Å; S298-S338 VanDerWaalsContact CA-O 3.24Å; S298-S338 WeakPolarHBondContact CA-O 3.24Å; S298-S338 WeakPolarHBondContact CB-OG 3.21Å
299	G	55.6	Low	58.1	Low	6 Å²	6	32.2 Å²	32.2	6%	0.062	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	145.1	174.4	0	0	0	0	0	112.9	G259 Q303 S338 G339 E340	G259-G299 VanDerWaalsContact O-CA 3.32Å; G259-G299 WeakPolarHBondContact O-CA 3.15Å; G299-Q303 VanDerWaalsContact CA-CD 3.49Å; G299-Q303 VanDerWaalsContact CA-OE1 3.29Å; G299-S338 PolarHBondContact N-O 2.8Å; G299-G339 CarbonylContact O-C 3.6Å; G299-G339 VanDerWaalsContact O-CA 3.23Å; G299-G339 WeakPolarHBondContact O-CA 3.29Å; G299-E340 PolarHBondContact O-N 2.9Å
300	E	59.9	Low	58.4	Low	79 Å²	79	27.5 Å²	27.5	37%	0.369	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	-89.7	178.7	-61.6	-180	178.7	0	0	110.6	G259 E260 E340 N341	G259-E300 PolarHBondContact O-N 3.09Å; E260-E300 PolarHBondContact O-N 2.96Å; E300-E340 CarbonylContact O-C 3.5Å; E300-E340 WeakPolarHBondContact O-CA 3.44Å; E300-E340 WeakPolarHBondContact O-CB 3.46Å; E300-E340 PolarHBondContact O-N 3.15Å; E300-N341 PolarHBondContact O-N 2.86Å
301	N	61.6	Low	58.5	Low	58 Å²	58	27.1 Å²	27.1	31%	0.31	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	130.2	-169.1	-56.9	-56.5	0	0	0	114.1	E260 N261 G262 Q303 N341	E260-N301 PolarHBondContact O-N 3.11Å; N261-N301 CarbonylContact C-O 3.55Å; N261-N301 WeakPolarHBondContact CA-O 3.45Å; N261-N301 VanDerWaalsContact OD1-CB 3.31Å; N261-N301 WeakPolarHBondContact OD1-CB 3.17Å; N261-N301 PolarHBondContact OD1-ND2 2.97Å; G262-N301 PolarHBondContact N-O 2.76Å; N301-Q303 VanDerWaalsContact C-N 3.3Å; N301-Q303 PolarHBondContact O-N 2.97Å; N301-N341 WeakPolarHBondContact CA-O 3.27Å; N301-N341 WeakPolarHBondContact OD1-CB 3.43Å
302	G	54.3	Low	58.3	Low	38 Å²	38	25.6 Å²	25.6	39%	0.392	16%	0.162	S	C	.	.	S	Bend	trans	66.9	18.9	162.3	0	0	0	0	0	116.6	N341	G302-N341 PolarHBondContact N-O 3.22Å
303	Q	60.7	Low	58	Low	2 Å²	2	26 Å²	26	1%	0.009	17%	0.166	C	C	.	.			trans	-77.3	141.8	-179.9	-61.5	174.4	14	0	0	112.6	G259 E260 Q263 G299 N301 Q343 V344	G259-Q303 PolarHBondContact O-NE2 3.08Å; E260-Q303 PolarHBondContact O-NE2 2.97Å; Q263-Q303 HydrophobicContact CB-CG 4.07Å; Q263-Q303 CarbonylContact O-C 3.57Å; Q263-Q303 VanDerWaalsContact O-CA 3.26Å; Q263-Q303 WeakPolarHBondContact O-CA 3.49Å; G299-Q303 VanDerWaalsContact CA-CD 3.49Å; G299-Q303 VanDerWaalsContact CA-OE1 3.29Å; N301-Q303 VanDerWaalsContact C-N 3.3Å; N301-Q303 PolarHBondContact O-N 2.97Å; Q303-Q343 HydrophobicContact CB-CG 4.09Å; Q303-Q343 CarbonylContact O-C 3.57Å; Q303-Q343 WeakPolarHBondContact O-CA 3.32Å; Q303-Q343 WeakPolarHBondContact O-CG 3.13Å; Q303-V344 PolarHBondContact O-N 3.5Å
304	V	59.8	Low	57.2	Low	35 Å²	35	24.5 Å²	24.5	21%	0.212	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	118.1	175.8	-171.7	0	0	0	0	110.1	Q263 V264 I265 Y306 V344 Y346	Q263-V304 PolarHBondContact O-N 2.93Å; V264-V304 CarbonylContact C-O 3.58Å; V264-V304 WeakPolarHBondContact CA-O 3.44Å; V264-V304 HydrophobicContact CG1-CB 4.46Å; I265-V304 PolarHBondContact N-O 2.92Å; V304-Y306 HydrophobicContact CB-CE2 4.38Å; V304-Y306 HydrophobicContact CG1-CD2 4.11Å; V304-Y306 HydrophobicContact CG1-CE2 3.35Å; V304-V344 CarbonylContact C-O 3.55Å; V304-V344 WeakPolarHBondContact CA-O 3.28Å; V304-Y346 HydrophobicContact CG1-CD2 4.39Å; V304-Y346 HydrophobicContact CG1-CE2 4.24Å
305	I	57.2	Low	56.6	Low	1 Å²	1	27.6 Å²	27.6	1%	0.005	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	119.2	-174.6	-51.9	178.4	0	0	0	110.3	I265 L297 I307 V344 I345 Y346	I265-I305 HydrophobicContact CB-CG1 4.36Å; I265-I305 HydrophobicContact CB-CG2 4.3Å; I265-I305 HydrophobicContact CD1-CG1 4.44Å; I265-I305 CarbonylContact O-C 3.53Å; I265-I305 WeakPolarHBondContact O-CA 3.3Å; L297-I305 HydrophobicContact CD1-CD1 4.18Å; L297-I305 HydrophobicContact CD1-CG2 4.06Å; I305-I307 HydrophobicContact CG2-CD1 3.96Å; I305-I307 HydrophobicContact CG2-CG1 3.61Å; I305-V344 PolarHBondContact N-O 3.05Å; I305-I345 HydrophobicContact CB-CG1 4.38Å; I305-I345 HydrophobicContact CB-CG2 4.2Å; I305-I345 HydrophobicContact CD1-CG1 4.44Å; I305-I345 HydrophobicContact CG2-CG2 4.48Å; I305-I345 CarbonylContact O-C 3.53Å; I305-I345 WeakPolarHBondContact O-CA 3.37Å; I305-Y346 PolarHBondContact O-N 3.2Å
306	Y	57.9	Low	55.2	Low	86 Å²	86	26.3 Å²	26.3	34%	0.337	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	110.3	174.5	-62.6	-87.3	0	0	0	110.4	V264 I265 Y266 I267 V304 Y346	V264-Y306 HydrophobicContact CG1-CD2 4.48Å; V264-Y306 HydrophobicContact CG1-CE2 4.28Å; I265-Y306 PolarHBondContact O-N 2.85Å; Y266-Y306 AromaticContact CD1-CD2 3.62Å; Y266-Y306 HydrophobicContact CD1-CD2 3.62Å; Y266-Y306 HydrophobicContact CD1-CE2 4.5Å; Y266-Y306 AromaticContact CD1-CG 3.88Å; Y266-Y306 HydrophobicContact CD1-CG 3.88Å; Y266-Y306 AromaticContact CE1-CD2 3.22Å; Y266-Y306 HydrophobicContact CE1-CD2 3.22Å; Y266-Y306 AromaticContact CE1-CE2 3.68Å; Y266-Y306 HydrophobicContact CE1-CE2 3.68Å; Y266-Y306 AromaticContact CE1-CG 3.76Å; Y266-Y306 HydrophobicContact CE1-CG 3.76Å; Y266-Y306 HydrophobicContact CG-CD2 4.44Å; Y266-Y306 AromaticContact CZ-CD2 3.79Å; Y266-Y306 AromaticContact CZ-CE2 3.93Å; I267-Y306 PolarHBondContact N-O 2.76Å; V304-Y306 HydrophobicContact CB-CE2 4.38Å; V304-Y306 HydrophobicContact CG1-CD2 4.11Å; V304-Y306 HydrophobicContact CG1-CE2 3.35Å; Y306-Y346 AromaticContact CD1-CD2 3.69Å; Y306-Y346 HydrophobicContact CD1-CD2 3.69Å; Y306-Y346 AromaticContact CD1-CG 3.95Å; Y306-Y346 HydrophobicContact CD1-CG 3.95Å; Y306-Y346 AromaticContact CE1-CD2 3.27Å; Y306-Y346 HydrophobicContact CE1-CD2 3.27Å; Y306-Y346 AromaticContact CE1-CE2 3.76Å; Y306-Y346 HydrophobicContact CE1-CE2 3.76Å; Y306-Y346 AromaticContact CE1-CG 3.81Å; Y306-Y346 HydrophobicContact CE1-CG 3.81Å; Y306-Y346 AromaticContact CZ-CD2 3.84Å
307	I	55.6	Low	54.1	Low	2 Å²	2	28.8 Å²	28.8	1%	0.01	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	117.9	-177.9	-48.3	-177.4	0	0	0	110.2	I267 L294 L297 I305 M309 L334 L337 I345 Y346 I347 T348	I267-I307 HydrophobicContact CB-CG2 4.44Å; I267-I307 HydrophobicContact CD1-CG1 4.44Å; I267-I307 CarbonylContact O-C 3.58Å; L294-I307 HydrophobicContact CD1-CD1 4.21Å; L294-I307 HydrophobicContact CD1-CG2 3.92Å; L294-I307 HydrophobicContact CD2-CD1 4.11Å; L297-I307 HydrophobicContact CD1-CD1 3.67Å; I305-I307 HydrophobicContact CG2-CD1 3.96Å; I305-I307 HydrophobicContact CG2-CG1 3.61Å; I307-M309 HydrophobicContact CG2-CG 3.61Å; I307-M309 HydrophobicContact CG2-SD 4.47Å; I307-L334 HydrophobicContact CD1-CD2 4.29Å; I307-L337 HydrophobicContact CD1-CD1 4.41Å; I307-I345 HydrophobicContact CD1-CG2 4.23Å; I307-Y346 PolarHBondContact N-O 2.98Å; I307-I347 HydrophobicContact CD1-CG1 4.4Å; I307-I347 CarbonylContact O-C 3.44Å; I307-T348 PolarHBondContact O-N 2.78Å
308	T	58.9	Low	52.4	Low	46 Å²	46	34.6 Å²	34.6	28%	0.282	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	106.4	169.9	-63.3	0	0	0	0	109.7	I267 T268 M269 S311 T348	I267-T308 PolarHBondContact O-N 2.91Å; T268-T308 CarbonylContact C-O 3.55Å; T268-T308 WeakPolarHBondContact CA-O 3.16Å; M269-T308 PolarHBondContact N-O 2.89Å; T308-S311 VanDerWaalsContact CG2-CB 3.49Å; T308-S311 WeakPolarHBondContact CG2-OG 3.39Å; T308-T348 WeakPolarHBondContact CA-O 3.28Å
309	M	58.8	Low	51.2	Low	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	136.2	-178.5	-69.8	-146.5	-65.4	0	0	113.6	M269 L294 I307 S311 L334 T348 M349 N350	M269-M309 HydrophobicContact CB-CG 4.07Å; M269-M309 HydrophobicContact CB-SD 4.34Å; M269-M309 HydrophobicContact CE-SD 3.87Å; M269-M309 WeakPolarHBondContact O-CA 3.44Å; M269-M309 HydrophobicContact SD-SD 4.03Å; L294-M309 HydrophobicContact CB-CE 4.08Å; L294-M309 HydrophobicContact CB-SD 3.75Å; L294-M309 HydrophobicContact CD1-SD 4.15Å; I307-M309 HydrophobicContact CG2-CG 3.61Å; I307-M309 HydrophobicContact CG2-SD 4.47Å; M309-S311 PolarHBondContact O-N 2.86Å; M309-S311 PolarHBondContact O-OG 3.42Å; M309-L334 HydrophobicContact CE-CD1 3.63Å; M309-L334 HydrophobicContact CE-CD2 3.62Å; M309-L334 HydrophobicContact CE-CG 3.3Å; M309-T348 PolarHBondContact N-O 3.22Å; M309-M349 HydrophobicContact CB-CG 4.35Å; M309-M349 HydrophobicContact CE-CG 4.17Å; M309-M349 HydrophobicContact CE-SD 4.16Å; M309-N350 PolarHBondContact O-N 2.76Å
310	N	59.6	Low	50.1	Low	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.219	C	C	.	.	S	Bend	trans	55.3	33.5	175.3	-61.5	-34	0	0	0	112.6	M269 N270 R290 R330 N331 N350	M269-N310 PolarHBondContact O-N 2.92Å; N270-N310 VanDerWaalsContact CB-OD1 3.25Å; N270-N310 WeakPolarHBondContact CB-OD1 3.29Å; N270-N310 PolarHBondContact ND2-OD1 2.78Å; N270-N310 VanDerWaalsContact ND2-OD1 3.16Å; R290-N310 HydrophobicContact CB-CB 4.35Å; R290-N310 WeakPolarHBondContact CB-OD1 3.42Å; N310-R330 HydrophobicContact CB-CB 4.38Å; N310-R330 VanDerWaalsContact O-CD 3.32Å; N310-R330 WeakPolarHBondContact O-CD 3.32Å; N310-R330 PolarHBondContact O-NH1 3.22Å; N310-N331 PolarHBondContact ND2-O 3.03Å; N310-N331 VanDerWaalsContact ND2-O 3.09Å; N310-N350 VanDerWaalsContact CB-OD1 3.26Å; N310-N350 WeakPolarHBondContact CB-OD1 3.31Å; N310-N350 PolarHBondContact ND2-OD1 2.95Å
311	S	57	Low	48.8	Very low	10 Å²	10	39 Å²	39	7%	0.07	21%	0.214	C	C	.	.			trans	-92	146.5	-173.9	-58	0	0	0	0	111.7	S271 S272 R290 T308 M309 S351	S271-S311 CarbonylContact C-O 3.53Å; S271-S311 VanDerWaalsContact CA-O 3.25Å; S271-S311 WeakPolarHBondContact CA-O 3.44Å; S272-S311 PolarHBondContact N-O 2.84Å; R290-S311 PolarHBondContact NH1-O 3.15Å; T308-S311 VanDerWaalsContact CG2-CB 3.49Å; T308-S311 WeakPolarHBondContact CG2-OG 3.39Å; M309-S311 PolarHBondContact O-N 2.86Å; M309-S311 PolarHBondContact O-OG 3.42Å; S311-S351 WeakPolarHBondContact CA-O 3.13Å; S311-S351 VanDerWaalsContact CB-OG 3.28Å; S311-S351 WeakPolarHBondContact CB-OG 3.39Å; S311-S351 PolarHBondContact OG-OG 3.46Å
312	S	53.5	Low	47.5	Very low	5 Å²	5	39 Å²	39	4%	0.035	22%	0.219	C	C	.	.	B	Isolated β-bridge	trans	-150	130.5	173.7	84	0	0	0	0	115.4	S272 L326 R330 S351 S352 G353	S272-S312 WeakPolarHBondContact O-CA 2.93Å; S272-S312 WeakPolarHBondContact O-CB 3.29Å; S312-L326 VanDerWaalsContact OG-CD1 3.31Å; S312-L326 WeakPolarHBondContact OG-CD1 3Å; S312-R330 PolarHBondContact OG-NH1 3.46Å; S312-R330 PolarHBondContact OG-NH2 3.4Å; S312-S351 PolarHBondContact N-O 3.22Å; S312-S352 WeakPolarHBondContact O-CA 3.28Å; S312-S352 WeakPolarHBondContact O-CB 3.29Å; S312-G353 PolarHBondContact O-N 2.92Å
313	G	51.8	Low	46.6	Very low	12 Å²	12	37.9 Å²	37.9	12%	0.124	20%	0.204	C	C	.	.			trans	170.5	155.8	173.6	0	0	0	0	0	109.7	S272 G273 G353	S272-G313 PolarHBondContact O-N 3.47Å; G273-G313 VanDerWaalsContact CA-O 3.26Å; G273-G313 WeakPolarHBondContact CA-O 3.29Å; G313-G353 WeakPolarHBondContact CA-O 3.42Å
314	P	45.7	Very low	45.5	Very low	11 Å²	11	37.9 Å²	37.9	7%	0.071	21%	0.205	C	C	.	.			trans	-71.5	136.2	172.8	29	-30.4	0	0	0	110.4	P274 P354	P274-P314 HydrophobicContact CG-CB 4.01Å; P274-P314 CarbonylContact O-C 3.58Å; P274-P314 VanDerWaalsContact O-CA 3.24Å; P274-P314 WeakPolarHBondContact O-CA 3.24Å; P314-P354 HydrophobicContact CG-CB 4.19Å; P314-P354 WeakPolarHBondContact O-CA 3.1Å; P314-P354 WeakPolarHBondContact O-CB 3.08Å
315	N	44.3	Very low	44.5	Very low	65 Å²	65	38.3 Å²	38.3	35%	0.348	21%	0.208	S	C	.	.	B	Isolated β-bridge	trans	-90.4	104	159.4	-69.2	-14.9	0	0	0	105.8	P274 N275 S276 N355	P274-N315 PolarHBondContact O-N 3.23Å; N275-N315 WeakPolarHBondContact OD1-CB 3.1Å; N275-N315 PolarHBondContact OD1-ND2 3.41Å; S276-N315 PolarHBondContact N-O 2.9Å; N315-N355 WeakPolarHBondContact OD1-CB 3.33Å
316	S	33.7	Very low	43.5	Very low	14 Å²	14	38.5 Å²	38.5	10%	0.098	21%	0.209	C	C	.	.			trans	-135.8	127.4	-178.5	58.1	0	0	0	0	112	S276 S356	S276-S316 WeakPolarHBondContact O-CA 3.4Å; S276-S316 WeakPolarHBondContact O-CB 3.44Å; S316-S356 WeakPolarHBondContact O-CB 3.35Å
317	H	29.3	Very low	42.7	Very low	85 Å²	85	36.5 Å²	36.5	39%	0.394	21%	0.208	S	C	.	.			trans	-89.1	131.5	163.8	-62.3	-89.9	0	0	0	107.8	Y277 H278	Y277-H317 HydrophobicContact CD1-CB 4.16Å; Y277-H317 AromaticContact CD1-CD2 3.97Å; Y277-H317 AromaticContact CE1-CD2 3.59Å; H278-H317 PolarHBondContact N-O 2.87Å
318	H	27.3	Very low	42.2	Very low	123 Å²	123	37.5 Å²	37.5	57%	0.569	22%	0.218	S	C	*	.	S	Bend	trans	94.1	133.8	172.6	-63	-95.6	0	0	0	121.2	H278	H278-H318 CarbonylContact O-C 3.51Å; H278-H318 VanDerWaalsContact O-CB 3.3Å; H278-H318 WeakPolarHBondContact O-CB 3.29Å
319	L	32.1	Very low	41.9	Very low	88 Å²	88	41.6 Å²	41.6	46%	0.461	23%	0.229	S	C	.	.	S	Bend	trans	49	152.3	147.6	-70.4	173.7	0	0	0	122.4	N279	N279-L319 WeakPolarHBondContact OD1-CD1 2.89Å
320	P	32.3	Very low	41.7	Very low	78 Å²	78	42.2 Å²	42.2	51%	0.506	23%	0.231	S	C	.	.				-92.4	118.8	-119.7	34	-35.3	0	0	0	115.1
321	F	33.5	Very low	41.5	Very low	61 Å²	61	44.5 Å²	44.5	27%	0.268	24%	0.243	S	C	.	.			trans	-150.6	153.2	176.7	-81.4	-87.9	0	0	0	115.1	R280 Y281 P323 F361	R280-F321 HydrophobicContact CB-CD2 4.38Å; R280-F321 HydrophobicContact CB-CE2 3.4Å; R280-F321 HydrophobicContact CB-CZ 3.69Å; R280-F321 HydrophobicContact CG-CE2 3.72Å; R280-F321 HydrophobicContact CG-CZ 4.06Å; Y281-F321 VanDerWaalsContact N-CE2 3.31Å; Y281-F321 WeakPolarHBondContact O-CB 3.25Å; Y281-F321 WeakPolarHBondContact O-CD1 3.32Å; Y281-F321 WeakPolarHBondContact O-CG 3.26Å; F321-P323 VanDerWaalsContact O-CD 3.3Å; F321-P323 WeakPolarHBondContact O-CD 3.11Å; F321-F361 VanDerWaalsContact O-CD1 3.24Å; F321-F361 WeakPolarHBondContact O-CD1 3.36Å; F321-F361 WeakPolarHBondContact O-CE1 3.28Å
322	S	33.8	Very low	41.5	Very low	58 Å²	58	44.2 Å²	44.2	41%	0.406	24%	0.242	S	C	.	.	P	Polyproline II helix	trans	-73	118	174.9	-55.4	0	0	0	0	111.1	P283	P283-S322 VanDerWaalsContact CB-O 3.22Å; P283-S322 WeakPolarHBondContact CB-O 3.03Å; P283-S322 WeakPolarHBondContact CD-O 3.33Å; P283-S322 WeakPolarHBondContact CG-O 3.26Å
323	P	36.6	Very low	41.7	Very low	13 Å²	13	46 Å²	46	8%	0.084	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-64.4	152.6	174.8	26.2	-37.3	0	0	0	112.5	F321 S362 P364	F321-P323 VanDerWaalsContact O-CD 3.3Å; F321-P323 WeakPolarHBondContact O-CD 3.11Å; P323-S362 WeakPolarHBondContact CD-O 3.38Å; P323-S362 WeakPolarHBondContact CG-O 3.24Å; P323-P364 HydrophobicContact CB-CB 3.87Å; P323-P364 HydrophobicContact CB-CG 3.98Å; P323-P364 HydrophobicContact CG-CB 4.09Å; P323-P364 VanDerWaalsContact CG-CD 3.41Å; P323-P364 HydrophobicContact CG-CG 4.17Å
324	P	36.8	Very low	41.9	Very low	3 Å²	3	45.4 Å²	45.4	2%	0.019	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-74.2	150.5	-166.6	20.8	-31.3	0	0	0	116.4	P283 T284 L326 P364	P283-P324 HydrophobicContact CB-CB 3.44Å; P283-P324 VanDerWaalsContact CB-CB 3.44Å; P283-P324 HydrophobicContact CB-CG 4.08Å; P283-P324 VanDerWaalsContact CB-N 3.33Å; T284-P324 VanDerWaalsContact C-CG 3.5Å; T284-P324 VanDerWaalsContact N-CB 3.32Å; T284-P324 VanDerWaalsContact N-CG 3.32Å; T284-P324 WeakPolarHBondContact O-CB 3.42Å; T284-P324 WeakPolarHBondContact O-CG 3.14Å; P324-L326 HydrophobicContact CG-CD2 4.14Å; P324-L326 WeakPolarHBondContact O-CG 3.28Å; P324-L326 PolarHBondContact O-N 2.75Å; P324-P364 WeakPolarHBondContact O-CB 3.34Å
325	P	37.9	Very low	42.5	Very low	44 Å²	44	47 Å²	47	29%	0.286	26%	0.259	S	S	.	.	P	Polyproline II helix	trans	-57.8	119.8	166.5	6.7	-5.1	0	0	0	110.8	R285 P365	R285-P325 HydrophobicContact CG-CG 4.14Å; P325-P365 CarbonylContact C-O 3.42Å; P325-P365 WeakPolarHBondContact CA-O 2.92Å; P325-P365 HydrophobicContact CB-CB 4.34Å; P325-P365 HydrophobicContact CB-CG 3.88Å; P325-P365 WeakPolarHBondContact CB-O 3.1Å; P325-P365 HydrophobicContact CG-CG 4.25Å
326	L	37.1	Very low	42.9	Very low	4 Å²	4	45.4 Å²	45.4	2%	0.021	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	108.7	175.4	-50.9	175.6	0	0	0	107.8	L286 S312 P324 S352 P364 P365 L366 S367	L286-L326 HydrophobicContact CB-CD2 3.47Å; L286-L326 VanDerWaalsContact CB-CD2 3.47Å; L286-L326 HydrophobicContact CD1-CD2 3.32Å; L286-L326 HydrophobicContact CG-CD2 3.42Å; L286-L326 VanDerWaalsContact CG-CD2 3.42Å; L286-L326 WeakPolarHBondContact O-CA 3.48Å; S312-L326 VanDerWaalsContact OG-CD1 3.31Å; S312-L326 WeakPolarHBondContact OG-CD1 3Å; P324-L326 HydrophobicContact CG-CD2 4.14Å; P324-L326 WeakPolarHBondContact O-CG 3.28Å; P324-L326 PolarHBondContact O-N 2.75Å; L326-S352 VanDerWaalsContact CD1-CB 3.46Å; L326-P364 HydrophobicContact CD1-CG 4.14Å; L326-P364 HydrophobicContact CG-CB 4.32Å; L326-P364 HydrophobicContact CG-CG 4.44Å; L326-P365 PolarHBondContact N-O 2.89Å; L326-P365 VanDerWaalsContact N-O 3.14Å; L326-L366 HydrophobicContact CB-CD2 3.49Å; L326-L366 VanDerWaalsContact CB-CD2 3.49Å; L326-L366 HydrophobicContact CD1-CD2 3.37Å; L326-L366 HydrophobicContact CG-CD2 3.65Å; L326-L366 CarbonylContact O-C 3.03Å; L326-L366 VanDerWaalsContact O-CA 3.27Å; L326-L366 WeakPolarHBondContact O-CA 2.93Å; L326-S367 PolarHBondContact O-N 2.98Å
327	S	42	Very low	44.1	Very low	45 Å²	45	44.8 Å²	44.8	32%	0.315	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	115.4	-173.4	64.3	0	0	0	0	111.9	L286 S287 G288 S367	L286-S327 PolarHBondContact O-N 3.12Å; S287-S327 CarbonylContact C-O 3.59Å; S287-S327 WeakPolarHBondContact CA-O 3.18Å; S287-S327 VanDerWaalsContact CB-OG 3.28Å; S287-S327 WeakPolarHBondContact CB-OG 3.32Å; G288-S327 PolarHBondContact N-O 2.75Å; G288-S327 VanDerWaalsContact N-O 3.14Å; S327-S367 CarbonylContact C-O 3.6Å; S327-S367 WeakPolarHBondContact CA-O 3.22Å; S327-S367 WeakPolarHBondContact CA-OG 3.3Å; S327-S367 WeakPolarHBondContact CB-OG 3.49Å
328	G	44.9	Very low	45.4	Very low	22 Å²	22	43 Å²	43	23%	0.227	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	176.1	167.7	-179	0	0	0	0	0	117.2	G288 S367 G368 R369	G288-G328 CarbonylContact O-C 3.51Å; G288-G328 WeakPolarHBondContact O-CA 3.27Å; G328-S367 PolarHBondContact N-O 2.77Å; G328-G368 CarbonylContact O-C 3.52Å; G328-G368 VanDerWaalsContact O-CA 3.28Å; G328-G368 WeakPolarHBondContact O-CA 3.32Å; G328-R369 PolarHBondContact O-N 2.96Å
329	R	52.9	Low	46.6	Very low	133 Å²	133	37.4 Å²	37.4	50%	0.502	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	123.2	170.7	-68.7	-169.9	-174.1	-160.1	5.9	109.5	G288 R289 R290 R369	G288-R329 PolarHBondContact O-N 2.94Å; G288-R329 VanDerWaalsContact O-N 3.12Å; R289-R329 CarbonylContact C-O 3.59Å; R289-R329 VanDerWaalsContact CA-O 3.26Å; R289-R329 WeakPolarHBondContact CA-O 3.21Å; R289-R329 HydrophobicContact CG-CB 4.2Å; R290-R329 PolarHBondContact N-O 2.96Å; R329-R369 CarbonylContact C-O 3.54Å; R329-R369 VanDerWaalsContact CA-O 3.27Å; R329-R369 WeakPolarHBondContact CA-O 3.34Å; R329-R369 HydrophobicContact CG-CB 4.35Å
330	R	53.2	Low	47.8	Very low	12 Å²	12	37.2 Å²	37.2	5%	0.045	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	117.2	175	-55.6	-174.9	-171.9	-175.3	10.4	108.9	R290 N310 S312 N350 S351 R369 R370 N371	R290-R330 HydrophobicContact CB-CG 4.42Å; R290-R330 CarbonylContact O-C 3.51Å; R290-R330 WeakPolarHBondContact O-CA 3.23Å; N310-R330 HydrophobicContact CB-CB 4.38Å; N310-R330 VanDerWaalsContact O-CD 3.32Å; N310-R330 WeakPolarHBondContact O-CD 3.32Å; N310-R330 PolarHBondContact O-NH1 3.22Å; S312-R330 PolarHBondContact OG-NH1 3.46Å; S312-R330 PolarHBondContact OG-NH2 3.4Å; R330-N350 WeakPolarHBondContact CB-OD1 2.97Å; R330-S351 PolarHBondContact NH1-O 3.03Å; R330-R369 PolarHBondContact N-O 3.04Å; R330-R370 HydrophobicContact CB-CG 4.37Å; R330-R370 CarbonylContact O-C 3.57Å; R330-R370 VanDerWaalsContact O-CA 3.32Å; R330-R370 WeakPolarHBondContact O-CA 3.32Å; R330-N371 PolarHBondContact O-N 3.14Å
331	N	55.8	Low	49	Very low	49 Å²	49	37 Å²	37	26%	0.262	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	118.1	174.2	-66.5	-3.6	0	0	0	107.3	R290 N291 G292 N310 N371	R290-N331 PolarHBondContact O-N 3.32Å; N291-N331 CarbonylContact C-O 3.54Å; N291-N331 WeakPolarHBondContact CA-O 3.34Å; G292-N331 PolarHBondContact N-O 2.95Å; N310-N331 PolarHBondContact ND2-O 3.03Å; N310-N331 VanDerWaalsContact ND2-O 3.09Å; N331-N371 CarbonylContact C-O 3.53Å; N331-N371 VanDerWaalsContact CA-O 3.23Å; N331-N371 WeakPolarHBondContact CA-O 3.37Å
332	G	57	Low	49.8	Very low	4 Å²	4	36.1 Å²	36.1	4%	0.041	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	132.3	172.4	0	0	0	0	0	109.3	G292 N371 G372 S373	G292-G332 CarbonylContact O-C 3.6Å; G292-G332 VanDerWaalsContact O-CA 3.3Å; G292-G332 WeakPolarHBondContact O-CA 3.38Å; G332-N371 PolarHBondContact N-O 3.08Å; G332-G372 CarbonylContact O-C 3.55Å; G332-G372 VanDerWaalsContact O-CA 3.25Å; G332-G372 WeakPolarHBondContact O-CA 3.41Å; G332-S373 PolarHBondContact O-N 2.89Å
333	S	57.9	Low	50.9	Low	41 Å²	41	34 Å²	34	29%	0.287	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	125.6	165.7	58.2	0	0	0	0	108.9	G292 S293 L294 S373	G292-S333 PolarHBondContact O-N 2.94Å; S293-S333 CarbonylContact C-O 3.14Å; S293-S333 VanDerWaalsContact CA-O 3.32Å; S293-S333 WeakPolarHBondContact CA-O 3.28Å; S293-S333 WeakPolarHBondContact CA-OG 3.29Å; S293-S333 WeakPolarHBondContact CB-OG 3.45Å; L294-S333 PolarHBondContact N-O 3.27Å; S333-S373 WeakPolarHBondContact CA-O 3.45Å; S333-S373 WeakPolarHBondContact CB-OG 3.35Å
334	L	56.1	Low	51.9	Low	1 Å²	1	34.9 Å²	34.9	1%	0.005	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	125.7	169.7	-84.4	160.7	0	0	0	107.9	L294 I307 M309 L337 I347 M349 S373 L374 S375	L294-L334 HydrophobicContact CB-CD2 3.59Å; L294-L334 HydrophobicContact CD1-CD2 4.29Å; L294-L334 HydrophobicContact CD2-CD2 3.31Å; L294-L334 HydrophobicContact CG-CD2 3.88Å; L294-L334 WeakPolarHBondContact O-CA 3.48Å; I307-L334 HydrophobicContact CD1-CD2 4.29Å; M309-L334 HydrophobicContact CE-CD1 3.63Å; M309-L334 HydrophobicContact CE-CD2 3.62Å; M309-L334 HydrophobicContact CE-CG 3.3Å; L334-L337 HydrophobicContact CD2-CD1 4.46Å; L334-L337 HydrophobicContact CD2-CD2 4.5Å; L334-I347 HydrophobicContact CD1-CD1 4.18Å; L334-I347 HydrophobicContact CD1-CG2 3.33Å; L334-M349 HydrophobicContact CD1-CE 3.65Å; L334-M349 HydrophobicContact CD1-CG 3.74Å; L334-M349 HydrophobicContact CD1-SD 3.37Å; L334-M349 WeakPolarHBondContact CD1-SD 3.27Å; L334-M349 HydrophobicContact CG-SD 4.09Å; L334-S373 PolarHBondContact N-O 3.45Å; L334-L374 HydrophobicContact CB-CD1 3.27Å; L334-L374 HydrophobicContact CD1-CD1 3.79Å; L334-L374 HydrophobicContact CG-CD1 4.14Å; L334-L374 WeakPolarHBondContact O-CA 3.3Å; L334-S375 PolarHBondContact O-N 2.89Å
335	S	58.6	Low	52.7	Low	43 Å²	43	34.9 Å²	34.9	30%	0.301	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	139.5	-179.4	57.5	0	0	0	0	114.1	L294 S295 G296 S375	L294-S335 PolarHBondContact O-N 3.39Å; S295-S335 CarbonylContact C-O 3.53Å; S295-S335 WeakPolarHBondContact CA-O 3.47Å; S295-S335 WeakPolarHBondContact CB-O 3.23Å; S295-S335 WeakPolarHBondContact CB-OG 3.26Å; G296-S335 PolarHBondContact N-O 3.36Å; S335-S375 WeakPolarHBondContact CA-O 3.04Å
336	G	52.3	Low	53.6	Low	32 Å²	32	37 Å²	37	33%	0.33	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	71.7	53.8	176.2	0	0	0	0	0	111.6	G296 L297 S375 G376	G296-G336 CarbonylContact C-O 3.56Å; G296-G336 WeakPolarHBondContact CA-O 3.31Å; G296-G336 PolarHBondContact N-O 2.87Å; L297-G336 PolarHBondContact N-O 2.92Å; G336-S375 PolarHBondContact N-O 3.36Å; G336-G376 CarbonylContact C-O 3.54Å; G336-G376 WeakPolarHBondContact CA-O 3.45Å; G336-G376 PolarHBondContact N-O 2.79Å
337	L	58.8	Low	54.3	Low	2 Å²	2	36.9 Å²	36.9	1%	0.01	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	110.5	162.3	-44.5	-174.7	0	0	0	105.7	L294 L297 I307 L334 I345 I347 G376 L377 S378	L294-L337 HydrophobicContact CD2-CD2 3.74Å; L297-L337 HydrophobicContact CB-CD2 3.67Å; L297-L337 HydrophobicContact CD1-CD2 3.65Å; L297-L337 HydrophobicContact CG-CD2 3.47Å; L297-L337 VanDerWaalsContact CG-CD2 3.47Å; L297-L337 CarbonylContact O-C 3.53Å; L297-L337 VanDerWaalsContact O-CA 3.31Å; L297-L337 WeakPolarHBondContact O-CA 3.24Å; I307-L337 HydrophobicContact CD1-CD1 4.41Å; L334-L337 HydrophobicContact CD2-CD1 4.46Å; L334-L337 HydrophobicContact CD2-CD2 4.5Å; L337-I345 HydrophobicContact CB-CD1 3.98Å; L337-I345 HydrophobicContact CD1-CD1 4.05Å; L337-I345 HydrophobicContact CD1-CG2 4.21Å; L337-I347 HydrophobicContact CD1-CD1 3.73Å; L337-G376 PolarHBondContact N-O 3.12Å; L337-L377 HydrophobicContact CB-CD2 3.56Å; L337-L377 HydrophobicContact CD1-CD2 3.46Å; L337-L377 VanDerWaalsContact CD1-CD2 3.46Å; L337-L377 HydrophobicContact CG-CD2 3.32Å; L337-L377 CarbonylContact O-C 3.58Å; L337-L377 WeakPolarHBondContact O-CA 3.43Å; L337-S378 PolarHBondContact O-N 2.87Å
338	S	56.4	Low	55	Low	47 Å²	47	36.6 Å²	36.6	33%	0.329	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	133.8	175.9	58	0	0	0	0	109.9	L297 S298 G299 S378	L297-S338 PolarHBondContact O-N 3.41Å; S298-S338 CarbonylContact C-O 3.52Å; S298-S338 VanDerWaalsContact CA-O 3.24Å; S298-S338 WeakPolarHBondContact CA-O 3.24Å; S298-S338 WeakPolarHBondContact CB-OG 3.21Å; G299-S338 PolarHBondContact N-O 2.8Å; S338-S378 CarbonylContact C-O 3.6Å; S338-S378 VanDerWaalsContact CA-O 3.22Å; S338-S378 WeakPolarHBondContact CA-O 3.33Å
339	G	52.9	Low	55.5	Low	5 Å²	5	35.9 Å²	35.9	5%	0.052	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	138.8	-179.1	0	0	0	0	0	112.4	G299 S378 G379 E380	G299-G339 CarbonylContact O-C 3.6Å; G299-G339 VanDerWaalsContact O-CA 3.23Å; G299-G339 WeakPolarHBondContact O-CA 3.29Å; G339-S378 PolarHBondContact N-O 3.34Å; G339-G379 CarbonylContact O-C 3.56Å; G339-G379 WeakPolarHBondContact O-CA 3.28Å; G339-E380 PolarHBondContact O-N 2.96Å
340	E	57.9	Low	55.5	Low	85 Å²	85	30 Å²	30	40%	0.397	18%	0.182	S	C	.	.			trans	-97	-153.3	166.4	-51.8	-175.8	174.4	0	0	110.5	G299 E300 G342 Q343 E380	G299-E340 PolarHBondContact O-N 2.9Å; E300-E340 CarbonylContact O-C 3.5Å; E300-E340 WeakPolarHBondContact O-CA 3.44Å; E300-E340 WeakPolarHBondContact O-CB 3.46Å; E300-E340 PolarHBondContact O-N 3.15Å; E340-G342 PolarHBondContact O-N 3.17Å; E340-Q343 PolarHBondContact O-N 3.24Å; E340-E380 CarbonylContact C-O 3.55Å; E340-E380 WeakPolarHBondContact CA-O 3.28Å
341	N	56.9	Low	55.5	Low	74 Å²	74	30.2 Å²	30.2	40%	0.396	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.9	120.3	-162	-62.2	-62.3	0	0	0	113.5	E300 N301 G302 Q343 E380 N381	E300-N341 PolarHBondContact O-N 2.86Å; N301-N341 WeakPolarHBondContact CA-O 3.27Å; N301-N341 WeakPolarHBondContact OD1-CB 3.43Å; G302-N341 PolarHBondContact N-O 3.22Å; N341-Q343 PolarHBondContact O-N 3.32Å; N341-E380 PolarHBondContact N-O 2.86Å; N341-N381 CarbonylContact C-O 3.57Å; N341-N381 WeakPolarHBondContact CA-O 3.3Å; N341-N381 WeakPolarHBondContact OD1-CB 3.29Å; N341-N381 PolarHBondContact OD1-ND2 3.5Å
342	G	51	Low	55.2	Low	41 Å²	41	28 Å²	28	42%	0.423	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.4	13.2	168.1	0	0	0	0	0	116.5	E340 N381	E340-G342 PolarHBondContact O-N 3.17Å; G342-N381 PolarHBondContact N-O 2.99Å
343	Q	56.3	Low	54.7	Low	15 Å²	15	28.6 Å²	28.6	7%	0.07	18%	0.18	C	C	.	.			trans	-67.5	135.4	174.9	-163.6	180	63.8	0	0	112.3	Q303 E340 N341 I345 Q383	Q303-Q343 HydrophobicContact CB-CG 4.09Å; Q303-Q343 CarbonylContact O-C 3.57Å; Q303-Q343 WeakPolarHBondContact O-CA 3.32Å; Q303-Q343 WeakPolarHBondContact O-CG 3.13Å; E340-Q343 PolarHBondContact O-N 3.24Å; N341-Q343 PolarHBondContact O-N 3.32Å; Q343-I345 HydrophobicContact CG-CG1 4.24Å; Q343-Q383 VanDerWaalsContact O-O 3.05Å
344	V	57	Low	53.9	Low	30 Å²	30	28.3 Å²	28.3	18%	0.182	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	116.9	176.6	-172.8	0	0	0	0	110.8	Q303 V304 I305 Y346	Q303-V344 PolarHBondContact O-N 3.5Å; V304-V344 CarbonylContact C-O 3.55Å; V304-V344 WeakPolarHBondContact CA-O 3.28Å; I305-V344 PolarHBondContact N-O 3.05Å; V344-Y346 HydrophobicContact CB-CE2 4.38Å; V344-Y346 HydrophobicContact CG1-CD2 4.02Å; V344-Y346 HydrophobicContact CG1-CE2 3.32Å
345	I	55.1	Low	53	Low	3 Å²	3	33.9 Å²	33.9	2%	0.015	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	118.7	-178.8	-49.1	178.8	0	0	0	110.5	I305 I307 L337 Q343 I347 L384 H385	I305-I345 HydrophobicContact CB-CG1 4.38Å; I305-I345 HydrophobicContact CB-CG2 4.2Å; I305-I345 HydrophobicContact CD1-CG1 4.44Å; I305-I345 HydrophobicContact CG2-CG2 4.48Å; I305-I345 CarbonylContact O-C 3.53Å; I305-I345 WeakPolarHBondContact O-CA 3.37Å; I307-I345 HydrophobicContact CD1-CG2 4.23Å; L337-I345 HydrophobicContact CB-CD1 3.98Å; L337-I345 HydrophobicContact CD1-CD1 4.05Å; L337-I345 HydrophobicContact CD1-CG2 4.21Å; Q343-I345 HydrophobicContact CG-CG1 4.24Å; I345-I347 HydrophobicContact CG2-CD1 3.85Å; I345-I347 HydrophobicContact CG2-CG1 3.57Å; I345-L384 HydrophobicContact CB-CD1 3.94Å; I345-L384 HydrophobicContact CD1-CD1 4.08Å; I345-L384 HydrophobicContact CG1-CD1 4.18Å; I345-H385 CarbonylContact O-C 3.58Å
346	Y	55.4	Low	51.7	Low	90 Å²	90	33.1 Å²	33.1	35%	0.353	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	117.7	173.5	-64	-87	0	0	0	110.9	V304 I305 Y306 I307 V344 H385	V304-Y346 HydrophobicContact CG1-CD2 4.39Å; V304-Y346 HydrophobicContact CG1-CE2 4.24Å; I305-Y346 PolarHBondContact O-N 3.2Å; Y306-Y346 AromaticContact CD1-CD2 3.69Å; Y306-Y346 HydrophobicContact CD1-CD2 3.69Å; Y306-Y346 AromaticContact CD1-CG 3.95Å; Y306-Y346 HydrophobicContact CD1-CG 3.95Å; Y306-Y346 AromaticContact CE1-CD2 3.27Å; Y306-Y346 HydrophobicContact CE1-CD2 3.27Å; Y306-Y346 AromaticContact CE1-CE2 3.76Å; Y306-Y346 HydrophobicContact CE1-CE2 3.76Å; Y306-Y346 AromaticContact CE1-CG 3.81Å; Y306-Y346 HydrophobicContact CE1-CG 3.81Å; Y306-Y346 AromaticContact CZ-CD2 3.84Å; I307-Y346 PolarHBondContact N-O 2.98Å; V344-Y346 HydrophobicContact CB-CE2 4.38Å; V344-Y346 HydrophobicContact CG1-CD2 4.02Å; V344-Y346 HydrophobicContact CG1-CE2 3.32Å; Y346-H385 AromaticContact CD1-ND1 3.89Å; Y346-H385 HydrophobicContact CE1-CB 4.4Å; Y346-H385 AromaticContact CE1-ND1 3.46Å; Y346-H385 WeakPolarHBondContact CE1-ND1 3.33Å
347	I	52.6	Low	50.4	Low	1 Å²	1	38.7 Å²	38.7	1%	0.005	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	104.2	-171.9	-52.8	177.1	0	0	0	112.1	I307 L334 L337 I345 M349 L374 T387	I307-I347 HydrophobicContact CD1-CG1 4.4Å; I307-I347 CarbonylContact O-C 3.44Å; L334-I347 HydrophobicContact CD1-CD1 4.18Å; L334-I347 HydrophobicContact CD1-CG2 3.33Å; L337-I347 HydrophobicContact CD1-CD1 3.73Å; I345-I347 HydrophobicContact CG2-CD1 3.85Å; I345-I347 HydrophobicContact CG2-CG1 3.57Å; I347-M349 HydrophobicContact CG2-CE 4.36Å; I347-M349 HydrophobicContact CG2-CG 3.86Å; I347-L374 HydrophobicContact CD1-CD1 4.41Å; I347-T387 CarbonylContact O-C 3.52Å
348	T	55.1	Low	48.8	Very low	39 Å²	39	45.6 Å²	45.6	24%	0.239	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	107.4	167.1	-62.8	0	0	0	0	110.9	I307 T308 M309 S351	I307-T348 PolarHBondContact O-N 2.78Å; T308-T348 WeakPolarHBondContact CA-O 3.28Å; M309-T348 PolarHBondContact N-O 3.22Å; T348-S351 VanDerWaalsContact CG2-OG 3.3Å; T348-S351 WeakPolarHBondContact CG2-OG 3.42Å
349	M	55.5	Low	47.4	Very low	7 Å²	7	48.5 Å²	48.5	3%	0.034	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	137.3	177.7	-87.5	-161	-71.4	0	0	113.4	M309 L334 I347 S351 L374 I388	M309-M349 HydrophobicContact CB-CG 4.35Å; M309-M349 HydrophobicContact CE-CG 4.17Å; M309-M349 HydrophobicContact CE-SD 4.16Å; L334-M349 HydrophobicContact CD1-CE 3.65Å; L334-M349 HydrophobicContact CD1-CG 3.74Å; L334-M349 HydrophobicContact CD1-SD 3.37Å; L334-M349 WeakPolarHBondContact CD1-SD 3.27Å; L334-M349 HydrophobicContact CG-SD 4.09Å; I347-M349 HydrophobicContact CG2-CE 4.36Å; I347-M349 HydrophobicContact CG2-CG 3.86Å; M349-S351 PolarHBondContact O-N 3.08Å; M349-S351 VanDerWaalsContact O-N 3.12Å; M349-L374 HydrophobicContact CE-CB 4.27Å; M349-L374 HydrophobicContact CE-CD1 4.27Å; M349-I388 HydrophobicContact CE-CD1 4.33Å; M349-I388 HydrophobicContact CE-CG1 4.45Å
350	N	54.8	Low	46.3	Very low	9 Å²	9	49.6 Å²	49.6	5%	0.048	27%	0.268	C	S	.	.	S	Bend	trans	54.1	32.6	169.6	-63.6	-43.7	0	0	0	113.1	M309 N310 R330 R370 N371	M309-N350 PolarHBondContact O-N 2.76Å; N310-N350 VanDerWaalsContact CB-OD1 3.26Å; N310-N350 WeakPolarHBondContact CB-OD1 3.31Å; N310-N350 PolarHBondContact ND2-OD1 2.95Å; R330-N350 WeakPolarHBondContact CB-OD1 2.97Å; N350-R370 PolarHBondContact O-NH1 3.4Å; N350-N371 PolarHBondContact ND2-O 2.9Å
351	S	51.8	Low	45.1	Very low	16 Å²	16	47.5 Å²	47.5	11%	0.112	26%	0.258	C	S	.	.			trans	-80.3	151.8	-179	67.3	0	0	0	0	111.5	S311 S312 R330 T348 M349	S311-S351 WeakPolarHBondContact CA-O 3.13Å; S311-S351 VanDerWaalsContact CB-OG 3.28Å; S311-S351 WeakPolarHBondContact CB-OG 3.39Å; S311-S351 PolarHBondContact OG-OG 3.46Å; S312-S351 PolarHBondContact N-O 3.22Å; R330-S351 PolarHBondContact NH1-O 3.03Å; T348-S351 VanDerWaalsContact CG2-OG 3.3Å; T348-S351 WeakPolarHBondContact CG2-OG 3.42Å; M349-S351 PolarHBondContact O-N 3.08Å; M349-S351 VanDerWaalsContact O-N 3.12Å
352	S	49.4	Very low	43.9	Very low	3 Å²	3	44.4 Å²	44.4	2%	0.021	24%	0.242	C	C	.	.	B	Isolated β-bridge	trans	-152.6	123.3	167.9	57.2	0	0	0	0	113.3	S312 L326 L366 R370 F391	S312-S352 WeakPolarHBondContact O-CA 3.28Å; S312-S352 WeakPolarHBondContact O-CB 3.29Å; L326-S352 VanDerWaalsContact CD1-CB 3.46Å; S352-L366 WeakPolarHBondContact OG-CD1 3.46Å; S352-L366 VanDerWaalsContact OG-CD2 3.3Å; S352-L366 WeakPolarHBondContact OG-CD2 3.25Å; S352-R370 PolarHBondContact OG-NH1 3.17Å; S352-R370 PolarHBondContact OG-NH2 3.17Å; S352-F391 WeakPolarHBondContact O-CB 2.92Å; S352-F391 VanDerWaalsContact O-CG 3.32Å; S352-F391 WeakPolarHBondContact O-CG 3.37Å
353	G	47.9	Very low	43.2	Very low	17 Å²	17	43.7 Å²	43.7	18%	0.175	23%	0.23	C	C	.	.	S	Bend	trans	164.6	159.3	180	0	0	0	0	0	108.8	S312 G313	S312-G353 PolarHBondContact O-N 2.92Å; G313-G353 WeakPolarHBondContact CA-O 3.42Å
354	P	39.7	Very low	42.2	Very low	34 Å²	34	43.2 Å²	43.2	22%	0.221	23%	0.228	C	C	.	.			trans	-67.9	130.8	169.6	28.3	-31.3	0	0	0	110.5	P314 S356	P314-P354 HydrophobicContact CG-CB 4.19Å; P314-P354 WeakPolarHBondContact O-CA 3.1Å; P314-P354 WeakPolarHBondContact O-CB 3.08Å; P354-S356 VanDerWaalsContact C-N 3.29Å; P354-S356 PolarHBondContact O-N 2.86Å
355	N	38.5	Very low	41.2	Very low	118 Å²	118	43.7 Å²	43.7	63%	0.631	23%	0.232	S	C	*	.			trans	-84.4	83.1	160.4	-67.9	-14.5	0	0	0	106	N315	N315-N355 WeakPolarHBondContact OD1-CB 3.33Å
356	S	29.8	Very low	40.3	Very low	27 Å²	27	43.6 Å²	43.6	19%	0.189	23%	0.231	C	C	.	.			trans	-132	117.5	177.9	59.7	0	0	0	0	109.8	S316 P354	S316-S356 WeakPolarHBondContact O-CB 3.35Å; P354-S356 VanDerWaalsContact C-N 3.29Å; P354-S356 PolarHBondContact O-N 2.86Å
357	H	25.6	Very low	39.4	Very low	149 Å²	149	42.2 Å²	42.2	69%	0.69	24%	0.235	S	C	*	.			trans	-71.2	137.6	159.9	-64.5	-88.4	0	0	0	107.8
358	H	24.4	Very low	38.9	Very low	148 Å²	148	43.7 Å²	43.7	69%	0.685	25%	0.25	S	S	*	.	S	Bend	trans	93.2	110.4	178.6	-63.8	-93	0	0	0	118.8
359	L	28.7	Very low	38.6	Very low	108 Å²	108	46 Å²	46	57%	0.565	25%	0.254	S	S	*	.	S	Bend	trans	70.4	169.2	149.5	-61.6	168.6	0	0	0	115.6	F361	L359-F361 WeakPolarHBondContact O-CD2 3.32Å; L359-F361 WeakPolarHBondContact O-CE2 3.38Å
360	P	29.5	Very low	38.3	Very low	28 Å²	28	46.3 Å²	46.3	18%	0.182	26%	0.255	C	S	.	.				-94.5	121.3	-123.7	31.2	-11.5	0	0	0	113.9	Y426 R427 N428	P360-Y426 WeakPolarHBondContact CA-O 3Å; P360-Y426 WeakPolarHBondContact CB-O 3.4Å; P360-R427 VanDerWaalsContact CB-C 3.49Å; P360-R427 VanDerWaalsContact CB-CA 3.47Å; P360-R427 HydrophobicContact CB-CB 3.31Å; P360-R427 WeakPolarHBondContact CB-O 3.37Å; P360-R427 HydrophobicContact CG-CB 3.39Å; P360-N428 PolarHBondContact O-ND2 2.89Å
361	F	32.8	Very low	38	Very low	41 Å²	41	48.6 Å²	48.6	18%	0.18	27%	0.268	C	S	.	.			trans	-121.1	132.8	-174.2	-66.1	-73.4	0	0	0	114.4	F321 L359 N428	F321-F361 VanDerWaalsContact O-CD1 3.24Å; F321-F361 WeakPolarHBondContact O-CD1 3.36Å; F321-F361 WeakPolarHBondContact O-CE1 3.28Å; L359-F361 WeakPolarHBondContact O-CD2 3.32Å; L359-F361 WeakPolarHBondContact O-CE2 3.38Å; F361-N428 WeakPolarHBondContact CA-ND2 3.43Å; F361-N428 PolarHBondContact N-ND2 3.23Å; F361-N428 VanDerWaalsContact N-ND2 3.19Å
362	S	31.1	Very low	37.9	Very low	9 Å²	9	48.9 Å²	48.9	6%	0.063	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-77.6	117.5	161.1	-80.4	0	0	0	0	105.2	P323 N428 Y430	P323-S362 WeakPolarHBondContact CD-O 3.38Å; P323-S362 WeakPolarHBondContact CG-O 3.24Å; S362-N428 PolarHBondContact N-ND2 2.87Å; S362-N428 VanDerWaalsContact OG-CB 3.28Å; S362-N428 WeakPolarHBondContact OG-CB 3.2Å; S362-N428 PolarHBondContact OG-OD1 2.9Å; S362-Y430 PolarHBondContact OG-O 3.42Å
363	P	35.9	Very low	38	Very low	26 Å²	26	51.1 Å²	51.1	17%	0.169	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-59.7	147.4	179.6	28.6	-38.5	0	0	0	110.5	T393 S423	P363-T393 HydrophobicContact CB-CG2 3.58Å; P363-T393 HydrophobicContact CG-CG2 3.21Å; P363-S423 VanDerWaalsContact CD-CB 3.4Å; P363-S423 WeakPolarHBondContact CD-OG 3.29Å; P363-S423 WeakPolarHBondContact CG-OG 3.29Å
364	P	35.3	Very low	38.1	Very low	4 Å²	4	50.4 Å²	50.4	3%	0.026	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-59.5	144	-171.1	16	-24.6	0	0	0	111.7	P323 P324 L326 L366 T393	P323-P364 HydrophobicContact CB-CB 3.87Å; P323-P364 HydrophobicContact CB-CG 3.98Å; P323-P364 HydrophobicContact CG-CB 4.09Å; P323-P364 VanDerWaalsContact CG-CD 3.41Å; P323-P364 HydrophobicContact CG-CG 4.17Å; P324-P364 WeakPolarHBondContact O-CB 3.34Å; L326-P364 HydrophobicContact CD1-CG 4.14Å; L326-P364 HydrophobicContact CG-CB 4.32Å; L326-P364 HydrophobicContact CG-CG 4.44Å; P364-L366 HydrophobicContact CB-CD2 4.32Å; P364-L366 HydrophobicContact CG-CD2 4Å; P364-L366 WeakPolarHBondContact O-CG 3.24Å; P364-L366 PolarHBondContact O-N 2.92Å; P364-T393 VanDerWaalsContact O-CB 3.27Å; P364-T393 WeakPolarHBondContact O-CB 3.12Å; P364-T393 PolarHBondContact O-OG1 2.99Å
365	P	36.1	Very low	38.6	Very low	41 Å²	41	50.6 Å²	50.6	27%	0.266	28%	0.283	S	S	.	.			trans	-65.8	95.3	170.1	12.4	-13.1	0	0	0	111.1	P325 L326 T393 R394	P325-P365 CarbonylContact C-O 3.42Å; P325-P365 WeakPolarHBondContact CA-O 2.92Å; P325-P365 HydrophobicContact CB-CB 4.34Å; P325-P365 HydrophobicContact CB-CG 3.88Å; P325-P365 WeakPolarHBondContact CB-O 3.1Å; P325-P365 HydrophobicContact CG-CG 4.25Å; L326-P365 PolarHBondContact N-O 2.89Å; L326-P365 VanDerWaalsContact N-O 3.14Å; P365-T393 CarbonylContact C-O 3.58Å; P365-R394 HydrophobicContact CB-CB 4.48Å
366	L	35.3	Very low	39.1	Very low	1 Å²	1	46.7 Å²	46.7	1%	0.005	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	118.6	173.1	-50.9	176.6	0	0	0	110.2	L326 S352 P364 F391 T393 R394 L395	L326-L366 HydrophobicContact CB-CD2 3.49Å; L326-L366 VanDerWaalsContact CB-CD2 3.49Å; L326-L366 HydrophobicContact CD1-CD2 3.37Å; L326-L366 HydrophobicContact CG-CD2 3.65Å; L326-L366 CarbonylContact O-C 3.03Å; L326-L366 VanDerWaalsContact O-CA 3.27Å; L326-L366 WeakPolarHBondContact O-CA 2.93Å; S352-L366 WeakPolarHBondContact OG-CD1 3.46Å; S352-L366 VanDerWaalsContact OG-CD2 3.3Å; S352-L366 WeakPolarHBondContact OG-CD2 3.25Å; P364-L366 HydrophobicContact CB-CD2 4.32Å; P364-L366 HydrophobicContact CG-CD2 4Å; P364-L366 WeakPolarHBondContact O-CG 3.24Å; P364-L366 PolarHBondContact O-N 2.92Å; L366-F391 HydrophobicContact CD1-CB 4.34Å; L366-F391 WeakPolarHBondContact CD1-O 3.38Å; L366-T393 CarbonylContact C-O 3.56Å; L366-T393 VanDerWaalsContact CA-O 3.24Å; L366-T393 WeakPolarHBondContact CA-O 3.43Å; L366-T393 VanDerWaalsContact CB-O 3.29Å; L366-T393 WeakPolarHBondContact CB-O 3.44Å; L366-T393 WeakPolarHBondContact CD1-OG1 3.3Å; L366-T393 VanDerWaalsContact CG-OG1 3.28Å; L366-T393 WeakPolarHBondContact CG-OG1 3.45Å; L366-T393 PolarHBondContact N-O 2.89Å; L366-R394 CarbonylContact O-C 3.48Å; L366-L395 WeakPolarHBondContact O-CD2 3.26Å; L366-L395 WeakPolarHBondContact O-CG 3.23Å
367	S	38.6	Very low	40.3	Very low	60 Å²	60	45.5 Å²	45.5	42%	0.42	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	143.5	170.2	64.2	0	0	0	0	111.2	L326 S327 G328	L326-S367 PolarHBondContact O-N 2.98Å; S327-S367 CarbonylContact C-O 3.6Å; S327-S367 WeakPolarHBondContact CA-O 3.22Å; S327-S367 WeakPolarHBondContact CA-OG 3.3Å; S327-S367 WeakPolarHBondContact CB-OG 3.49Å; G328-S367 PolarHBondContact N-O 2.77Å
368	G	40.1	Very low	41.6	Very low	32 Å²	32	41.1 Å²	41.1	33%	0.33	25%	0.248	S	C	.	.	S	Bend	trans	114.5	-177.3	178.4	0	0	0	0	0	117.5	G328 L395	G328-G368 CarbonylContact O-C 3.52Å; G328-G368 VanDerWaalsContact O-CA 3.28Å; G328-G368 WeakPolarHBondContact O-CA 3.32Å; G368-L395 WeakPolarHBondContact O-CD2 3.4Å
369	R	48.8	Very low	43	Very low	88 Å²	88	34.3 Å²	34.3	33%	0.332	22%	0.218	S	C	.	.			trans	-106.4	134.6	-171.4	-65.4	-171.8	-175.6	-155	7.2	111.1	G328 R329 R330	G328-R369 PolarHBondContact O-N 2.96Å; R329-R369 CarbonylContact C-O 3.54Å; R329-R369 VanDerWaalsContact CA-O 3.27Å; R329-R369 WeakPolarHBondContact CA-O 3.34Å; R329-R369 HydrophobicContact CG-CB 4.35Å; R330-R369 PolarHBondContact N-O 3.04Å
370	R	49.5	Very low	44.1	Very low	14 Å²	14	33.2 Å²	33.2	5%	0.053	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	111.7	175	-59.4	-173.6	-174.1	-153	3.5	109.1	R330 N350 S352 Y400	R330-R370 HydrophobicContact CB-CG 4.37Å; R330-R370 CarbonylContact O-C 3.57Å; R330-R370 VanDerWaalsContact O-CA 3.32Å; R330-R370 WeakPolarHBondContact O-CA 3.32Å; N350-R370 PolarHBondContact O-NH1 3.4Å; S352-R370 PolarHBondContact OG-NH1 3.17Å; S352-R370 PolarHBondContact OG-NH2 3.17Å; R370-Y400 HydrophobicContact CB-CD1 4.39Å; R370-Y400 HydrophobicContact CB-CE1 4.22Å; R370-Y400 WeakPolarHBondContact O-CD1 3.47Å
371	N	49.3	Very low	45.2	Very low	57 Å²	57	35 Å²	35	31%	0.305	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	127.8	175.4	-63.1	0.2	0	0	0	107.5	R330 N331 G332 N350 R399	R330-N371 PolarHBondContact O-N 3.14Å; N331-N371 CarbonylContact C-O 3.53Å; N331-N371 VanDerWaalsContact CA-O 3.23Å; N331-N371 WeakPolarHBondContact CA-O 3.37Å; G332-N371 PolarHBondContact N-O 3.08Å; N350-N371 PolarHBondContact ND2-O 2.9Å; N371-R399 PolarHBondContact OD1-O 3.01Å; N371-R399 VanDerWaalsContact OD1-O 3.05Å
372	G	49.9	Very low	46.1	Very low	21 Å²	21	33.8 Å²	33.8	22%	0.216	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	127.8	171.3	0	0	0	0	0	108.4	G332 G401	G332-G372 CarbonylContact O-C 3.55Å; G332-G372 VanDerWaalsContact O-CA 3.25Å; G332-G372 WeakPolarHBondContact O-CA 3.41Å; G372-G401 VanDerWaalsContact O-CA 3.29Å; G372-G401 WeakPolarHBondContact O-CA 3.36Å
373	S	50.4	Low	47.3	Very low	51 Å²	51	38.3 Å²	38.3	36%	0.357	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	134.1	164.8	56.4	0	0	0	0	108.4	G332 S333 L334	G332-S373 PolarHBondContact O-N 2.89Å; S333-S373 WeakPolarHBondContact CA-O 3.45Å; S333-S373 WeakPolarHBondContact CB-OG 3.35Å; L334-S373 PolarHBondContact N-O 3.45Å
374	L	50.1	Low	48.1	Very low	2 Å²	2	37.6 Å²	37.6	1%	0.01	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	122.5	174.8	-174.5	66.4	0	0	0	105.6	L334 I347 M349 L377 I386 I388 K403 S404	L334-L374 HydrophobicContact CB-CD1 3.27Å; L334-L374 HydrophobicContact CD1-CD1 3.79Å; L334-L374 HydrophobicContact CG-CD1 4.14Å; L334-L374 WeakPolarHBondContact O-CA 3.3Å; I347-L374 HydrophobicContact CD1-CD1 4.41Å; M349-L374 HydrophobicContact CE-CB 4.27Å; M349-L374 HydrophobicContact CE-CD1 4.27Å; L374-L377 HydrophobicContact CD1-CD1 3.91Å; L374-L377 HydrophobicContact CD1-CD2 3.92Å; L374-L377 HydrophobicContact CD1-CG 4.22Å; L374-L377 HydrophobicContact CD2-CD1 3.83Å; L374-L377 HydrophobicContact CG-CD1 3.85Å; L374-L377 HydrophobicContact CG-CD2 4.45Å; L374-L377 HydrophobicContact CG-CG 4.22Å; L374-I386 HydrophobicContact CD2-CD1 4.26Å; L374-I386 HydrophobicContact CD2-CG2 3.76Å; L374-I388 HydrophobicContact CD2-CD1 4.26Å; L374-K403 HydrophobicContact CB-CG 4.33Å; L374-S404 PolarHBondContact O-N 3.02Å
375	S	51.6	Low	48.7	Very low	38 Å²	38	39.9 Å²	39.9	27%	0.266	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	164.2	-179	56.7	0	0	0	0	111.4	L334 S335 G336 L377 S404	L334-S375 PolarHBondContact O-N 2.89Å; S335-S375 WeakPolarHBondContact CA-O 3.04Å; G336-S375 PolarHBondContact N-O 3.36Å; S375-L377 VanDerWaalsContact C-N 3.31Å; S375-L377 PolarHBondContact O-N 3.23Å; S375-S404 WeakPolarHBondContact CA-O 3.25Å; S375-S404 WeakPolarHBondContact CB-O 3.22Å
376	G	47.6	Very low	49.4	Very low	35 Å²	35	38 Å²	38	36%	0.361	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	55.5	45.1	174.3	0	0	0	0	0	112.9	G336 L337 G405	G336-G376 CarbonylContact C-O 3.54Å; G336-G376 WeakPolarHBondContact CA-O 3.45Å; G336-G376 PolarHBondContact N-O 2.79Å; L337-G376 PolarHBondContact N-O 3.12Å; G376-G405 WeakPolarHBondContact CA-O 3.43Å; G376-G405 PolarHBondContact N-O 3.42Å
377	L	55.9	Low	49.9	Very low	3 Å²	3	39.3 Å²	39.3	2%	0.016	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	117.6	163.8	-44.7	-173.9	0	0	0	106.4	L337 L374 S375 L384 I386 G405 L406 S407	L337-L377 HydrophobicContact CB-CD2 3.56Å; L337-L377 HydrophobicContact CD1-CD2 3.46Å; L337-L377 VanDerWaalsContact CD1-CD2 3.46Å; L337-L377 HydrophobicContact CG-CD2 3.32Å; L337-L377 CarbonylContact O-C 3.58Å; L337-L377 WeakPolarHBondContact O-CA 3.43Å; L374-L377 HydrophobicContact CD1-CD1 3.91Å; L374-L377 HydrophobicContact CD1-CD2 3.92Å; L374-L377 HydrophobicContact CD1-CG 4.22Å; L374-L377 HydrophobicContact CD2-CD1 3.83Å; L374-L377 HydrophobicContact CG-CD1 3.85Å; L374-L377 HydrophobicContact CG-CD2 4.45Å; L374-L377 HydrophobicContact CG-CG 4.22Å; S375-L377 VanDerWaalsContact C-N 3.31Å; S375-L377 PolarHBondContact O-N 3.23Å; L377-L384 HydrophobicContact CB-CD2 3.97Å; L377-L384 HydrophobicContact CD1-CD2 4.09Å; L377-I386 HydrophobicContact CD1-CD1 3.36Å; L377-I386 HydrophobicContact CD1-CG1 4.07Å; L377-G405 PolarHBondContact N-O 2.85Å; L377-L406 HydrophobicContact CB-CD2 3.51Å; L377-L406 HydrophobicContact CD1-CD2 3.44Å; L377-L406 VanDerWaalsContact CD1-CD2 3.44Å; L377-L406 HydrophobicContact CG-CD2 3.34Å; L377-S407 PolarHBondContact O-N 2.78Å
378	S	53.6	Low	50.3	Low	56 Å²	56	37 Å²	37	39%	0.392	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	148.7	175.9	58.5	0	0	0	0	110.9	L337 S338 G339 S407	L337-S378 PolarHBondContact O-N 2.87Å; S338-S378 CarbonylContact C-O 3.6Å; S338-S378 VanDerWaalsContact CA-O 3.22Å; S338-S378 WeakPolarHBondContact CA-O 3.33Å; G339-S378 PolarHBondContact N-O 3.34Å; S378-S407 WeakPolarHBondContact CA-O 3.3Å; S378-S407 WeakPolarHBondContact CB-O 3.34Å
379	G	52.3	Low	50.5	Low	6 Å²	6	37 Å²	37	6%	0.062	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.7	159.6	164.6	0	0	0	0	0	113.8	G339 K409 Q412	G339-G379 CarbonylContact O-C 3.56Å; G339-G379 WeakPolarHBondContact O-CA 3.28Å; G379-K409 PolarHBondContact O-N 2.9Å; G379-Q412 PolarHBondContact O-OE1 2.9Å
380	E	52	Low	50.3	Low	84 Å²	84	34.4 Å²	34.4	39%	0.393	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	121.2	175.6	-53.4	-157.7	157.9	0	0	107.5	G339 E340 N341 K409	G339-E380 PolarHBondContact O-N 2.96Å; E340-E380 CarbonylContact C-O 3.55Å; E340-E380 WeakPolarHBondContact CA-O 3.28Å; N341-E380 PolarHBondContact N-O 2.86Å; E380-K409 HydrophobicContact CG-CB 4.24Å; E380-K409 HydrophobicContact CG-CD 4.49Å; E380-K409 IonicContact OE1-NZ 3.95Å
381	N	53.7	Low	49.5	Very low	66 Å²	66	36 Å²	36	35%	0.353	21%	0.213	S	C	.	.	S	Bend	trans	52.9	92.5	175.1	-59.6	-42.3	0	0	0	115.8	N341 G342 K409 N410	N341-N381 CarbonylContact C-O 3.57Å; N341-N381 WeakPolarHBondContact CA-O 3.3Å; N341-N381 WeakPolarHBondContact OD1-CB 3.29Å; N341-N381 PolarHBondContact OD1-ND2 3.5Å; G342-N381 PolarHBondContact N-O 2.99Å; N381-K409 PolarHBondContact N-O 2.79Å; N381-K409 VanDerWaalsContact N-O 3.13Å; N381-N410 VanDerWaalsContact CA-O 3.26Å; N381-N410 WeakPolarHBondContact CA-O 3.47Å; N381-N410 PolarHBondContact N-O 3.01Å; N381-N410 WeakPolarHBondContact OD1-CB 3.5Å; N381-N410 PolarHBondContact OD1-O 2.81Å
382	G	51.5	Low	48.7	Very low	16 Å²	16	34.1 Å²	34.1	17%	0.165	20%	0.204	C	C	.	.	S	Bend	trans	179.5	-168.7	177.2	0	0	0	0	0	116.7	Q412 R413	G382-Q412 CarbonylContact O-C 3.56Å; G382-Q412 VanDerWaalsContact O-CA 3.29Å; G382-Q412 WeakPolarHBondContact O-CA 3.4Å; G382-Q412 WeakPolarHBondContact O-CG 3.42Å; G382-R413 PolarHBondContact O-N 3.34Å
383	Q	55.3	Low	47.8	Very low	103 Å²	103	33.3 Å²	33.3	48%	0.481	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	105.3	176.2	-65.7	-171.3	15.4	0	0	111.5	Q343 R413	Q343-Q383 VanDerWaalsContact O-O 3.05Å; Q383-R413 WeakPolarHBondContact CA-O 3.28Å; Q383-R413 HydrophobicContact CG-CB 4.47Å
384	L	52.6	Low	46.8	Very low	11 Å²	11	35.9 Å²	35.9	6%	0.058	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	108.6	177.4	-179.5	60.7	0	0	0	110.2	I345 L377 I386 R413 I414 Y415	I345-L384 HydrophobicContact CB-CD1 3.94Å; I345-L384 HydrophobicContact CD1-CD1 4.08Å; I345-L384 HydrophobicContact CG1-CD1 4.18Å; L377-L384 HydrophobicContact CB-CD2 3.97Å; L377-L384 HydrophobicContact CD1-CD2 4.09Å; L384-I386 HydrophobicContact CD1-CD1 4.48Å; L384-I386 HydrophobicContact CD1-CG1 4.17Å; L384-I386 HydrophobicContact CD2-CD1 3.88Å; L384-I386 HydrophobicContact CD2-CG1 4.44Å; L384-I386 HydrophobicContact CG-CD1 3.92Å; L384-I386 HydrophobicContact CG-CG1 3.96Å; L384-R413 PolarHBondContact N-O 3.01Å; L384-I414 HydrophobicContact CB-CG1 4.46Å; L384-I414 HydrophobicContact CD2-CG2 4.43Å; L384-I414 WeakPolarHBondContact O-CA 3.33Å; L384-Y415 PolarHBondContact O-N 3.23Å
385	H	49.4	Very low	45.8	Very low	53 Å²	53	36.4 Å²	36.4	25%	0.245	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	94.5	-178.3	-173.1	-155.4	0	0	0	114.2	I345 Y346 T387 Y415	I345-H385 CarbonylContact O-C 3.58Å; Y346-H385 AromaticContact CD1-ND1 3.89Å; Y346-H385 HydrophobicContact CE1-CB 4.4Å; Y346-H385 AromaticContact CE1-ND1 3.46Å; Y346-H385 WeakPolarHBondContact CE1-ND1 3.33Å; H385-T387 PolarHBondContact CE1-OG1 2.88Å; H385-T387 PolarHBondContact NE2-OG1 3.16Å; H385-T387 PolarHBondContact O-N 2.82Å; H385-Y415 VanDerWaalsContact CD2-CB 3.46Å; H385-Y415 WeakPolarHBondContact CD2-CB 3.4Å
386	I	50.3	Low	44.7	Very low	0 Å²	0	40 Å²	40	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	98.9	-177.8	-54.2	157.7	0	0	0	110	L374 L377 L384 I388 L406 Y415 I416 T417	L374-I386 HydrophobicContact CD2-CD1 4.26Å; L374-I386 HydrophobicContact CD2-CG2 3.76Å; L377-I386 HydrophobicContact CD1-CD1 3.36Å; L377-I386 HydrophobicContact CD1-CG1 4.07Å; L384-I386 HydrophobicContact CD1-CD1 4.48Å; L384-I386 HydrophobicContact CD1-CG1 4.17Å; L384-I386 HydrophobicContact CD2-CD1 3.88Å; L384-I386 HydrophobicContact CD2-CG1 4.44Å; L384-I386 HydrophobicContact CG-CD1 3.92Å; L384-I386 HydrophobicContact CG-CG1 3.96Å; I386-I388 HydrophobicContact CG2-CD1 3.69Å; I386-I388 HydrophobicContact CG2-CG1 3.96Å; I386-L406 HydrophobicContact CD1-CD1 4.1Å; I386-Y415 PolarHBondContact N-O 2.86Å; I386-I416 HydrophobicContact CD1-CG1 4.44Å; I386-I416 WeakPolarHBondContact O-CA 3.29Å; I386-T417 PolarHBondContact O-N 3.19Å
387	T	46.3	Very low	43.9	Very low	29 Å²	29	39.3 Å²	39.3	18%	0.178	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	106.8	172.8	-69.3	0	0	0	0	112.1	I347 H385	I347-T387 CarbonylContact O-C 3.52Å; H385-T387 PolarHBondContact CE1-OG1 2.88Å; H385-T387 PolarHBondContact NE2-OG1 3.16Å; H385-T387 PolarHBondContact O-N 2.82Å
388	I	46.8	Very low	42.9	Very low	11 Å²	11	46.9 Å²	46.9	6%	0.056	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	107.2	179.5	-66.5	156.7	0	0	0	110.3	M349 L374 I386 I390 K403 T417 N419	M349-I388 HydrophobicContact CE-CD1 4.33Å; M349-I388 HydrophobicContact CE-CG1 4.45Å; L374-I388 HydrophobicContact CD2-CD1 4.26Å; I386-I388 HydrophobicContact CG2-CD1 3.69Å; I386-I388 HydrophobicContact CG2-CG1 3.96Å; I388-I390 HydrophobicContact CG2-CD1 4.24Å; I388-I390 HydrophobicContact CG2-CG1 3.82Å; I388-K403 HydrophobicContact CD1-CD 4.49Å; I388-T417 PolarHBondContact N-O 2.81Å; I388-N419 PolarHBondContact O-N 2.94Å
389	N	44.3	Very low	42	Very low	33 Å²	33	52.6 Å²	52.6	18%	0.176	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	102	175.4	-63.5	-33.1	0	0	0	110.9	F391 N419	N389-F391 HydrophobicContact CB-CD2 4.11Å; N389-F391 HydrophobicContact CB-CE2 3.44Å; N389-F391 VanDerWaalsContact CB-CE2 3.44Å; N389-F391 HydrophobicContact CB-CZ 4.01Å; N389-N419 WeakPolarHBondContact OD1-CB 3.33Å; N389-N419 PolarHBondContact OD1-ND2 3.31Å
390	I	43	Very low	41.5	Very low	33 Å²	33	53.3 Å²	53.3	17%	0.169	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	103.8	171.5	-50.7	178.3	0	0	0	106.7	I388 P392 Y400 N419 S420 D421	I388-I390 HydrophobicContact CG2-CD1 4.24Å; I388-I390 HydrophobicContact CG2-CG1 3.82Å; I390-P392 WeakPolarHBondContact O-CD 3.3Å; I390-Y400 HydrophobicContact CG2-CD1 4.21Å; I390-Y400 HydrophobicContact CG2-CE1 4.11Å; I390-N419 PolarHBondContact N-O 2.88Å; I390-S420 WeakPolarHBondContact O-CA 3.34Å; I390-D421 PolarHBondContact O-N 2.99Å
391	F	34.6	Very low	40.9	Very low	47 Å²	47	50.5 Å²	50.5	21%	0.206	25%	0.253	C	S	.	.			trans	-89.1	114	172.2	-60	-95.8	0	0	0	108.9	S352 L366 N389 D421	S352-F391 WeakPolarHBondContact O-CB 2.92Å; S352-F391 VanDerWaalsContact O-CG 3.32Å; S352-F391 WeakPolarHBondContact O-CG 3.37Å; L366-F391 HydrophobicContact CD1-CB 4.34Å; L366-F391 WeakPolarHBondContact CD1-O 3.38Å; N389-F391 HydrophobicContact CB-CD2 4.11Å; N389-F391 HydrophobicContact CB-CE2 3.44Å; N389-F391 VanDerWaalsContact CB-CE2 3.44Å; N389-F391 HydrophobicContact CB-CZ 4.01Å; F391-D421 HydrophobicContact CD1-CB 3.4Å; F391-D421 HydrophobicContact CE1-CB 3.76Å; F391-D421 WeakPolarHBondContact CE1-OD2 3.46Å; F391-D421 HydrophobicContact CG-CB 4.23Å
392	P	32.2	Very low	40.1	Very low	18 Å²	18	50.6 Å²	50.6	12%	0.117	26%	0.259	C	S	.	.			trans	-113.8	120.1	169.4	36.1	-34.5	0	0	0	113.1	I390 L395 D421	I390-P392 WeakPolarHBondContact O-CD 3.3Å; P392-L395 HydrophobicContact CB-CD1 4.43Å; P392-D421 WeakPolarHBondContact CD-O 3.12Å
393	T	31.1	Very low	40.1	Very low	4 Å²	4	51 Å²	51	3%	0.025	26%	0.256	C	S	.	.	S	Bend	trans	-129	109.8	169.2	32.6	0	0	0	0	109.2	P363 P364 P365 L366 F435	P363-T393 HydrophobicContact CB-CG2 3.58Å; P363-T393 HydrophobicContact CG-CG2 3.21Å; P364-T393 VanDerWaalsContact O-CB 3.27Å; P364-T393 WeakPolarHBondContact O-CB 3.12Å; P364-T393 PolarHBondContact O-OG1 2.99Å; P365-T393 CarbonylContact C-O 3.58Å; L366-T393 CarbonylContact C-O 3.56Å; L366-T393 VanDerWaalsContact CA-O 3.24Å; L366-T393 WeakPolarHBondContact CA-O 3.43Å; L366-T393 VanDerWaalsContact CB-O 3.29Å; L366-T393 WeakPolarHBondContact CB-O 3.44Å; L366-T393 WeakPolarHBondContact CD1-OG1 3.3Å; L366-T393 VanDerWaalsContact CG-OG1 3.28Å; L366-T393 WeakPolarHBondContact CG-OG1 3.45Å; L366-T393 PolarHBondContact N-O 2.89Å; T393-F435 HydrophobicContact CG2-CE1 3.94Å; T393-F435 HydrophobicContact CG2-CZ 3.9Å
394	R	29	Very low	39.4	Very low	105 Å²	105	49.1 Å²	49.1	40%	0.396	26%	0.255	S	S	.	.	S	Bend	trans	69.3	56.3	-176.7	-72.4	-174.5	148.8	158.3	10.2	118.6	P365 L366 P432 T433	P365-R394 HydrophobicContact CB-CB 4.48Å; L366-R394 CarbonylContact O-C 3.48Å; R394-P432 HydrophobicContact CG-CB 3.47Å; R394-P432 VanDerWaalsContact CG-CB 3.47Å; R394-P432 HydrophobicContact CG-CG 4.09Å; R394-P432 VanDerWaalsContact NH2-CA 3.3Å; R394-T433 VanDerWaalsContact NH2-N 3.16Å; R394-T433 PolarHBondContact NH2-OG1 3.44Å; R394-T433 VanDerWaalsContact NH2-OG1 3.08Å
395	L	27.8	Very low	38.8	Very low	13 Å²	13	50.2 Å²	50.2	7%	0.068	27%	0.268	C	S	.	.			trans	-105	101.1	170	-69.9	178.1	0	0	0	114.2	L366 G368 P392 G397 Y400	L366-L395 WeakPolarHBondContact O-CD2 3.26Å; L366-L395 WeakPolarHBondContact O-CG 3.23Å; G368-L395 WeakPolarHBondContact O-CD2 3.4Å; P392-L395 HydrophobicContact CB-CD1 4.43Å; L395-G397 VanDerWaalsContact C-N 3.34Å; L395-G397 PolarHBondContact O-N 2.94Å; L395-Y400 WeakPolarHBondContact CD1-OH 3Å
396	S	28.5	Very low	38.9	Very low	114 Å²	114	47.9 Å²	47.9	80%	0.797	26%	0.257	S	S	*	.			trans	-77.9	85.7	151.6	65.9	0	0	0	0	108.4
397	G	31.3	Very low	38.8	Very low	21 Å²	21	49.8 Å²	49.8	22%	0.216	27%	0.271	C	S	.	.	B	Isolated β-bridge	trans	-169.2	150.2	-173.6	0	0	0	0	0	114.7	L395	L395-G397 VanDerWaalsContact C-N 3.34Å; L395-G397 PolarHBondContact O-N 2.94Å
398	R	35.7	Very low	38.8	Very low	161 Å²	161	48.4 Å²	48.4	61%	0.608	26%	0.263	S	S	*	.			trans	-88.7	147	-165.1	-53.7	-176.7	-175.8	-159.2	-1.1	113.8
399	R	35.2	Very low	38.8	Very low	176 Å²	176	52 Å²	52	66%	0.664	28%	0.278	S	S	*	.			trans	52.4	118.9	163.9	-73.1	-172.4	-174.5	-167	3	116.6	N371 K439	N371-R399 PolarHBondContact OD1-O 3.01Å; N371-R399 VanDerWaalsContact OD1-O 3.05Å; R399-K439 HydrophobicContact CG-CD 4.35Å
400	Y	41.4	Very low	39	Very low	22 Å²	22	53.5 Å²	53.5	9%	0.086	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-95.2	146.1	159.8	-62	-77.4	0	0	0	109.4	R370 I390 L395 K439 Y440 G441	R370-Y400 HydrophobicContact CB-CD1 4.39Å; R370-Y400 HydrophobicContact CB-CE1 4.22Å; R370-Y400 WeakPolarHBondContact O-CD1 3.47Å; I390-Y400 HydrophobicContact CG2-CD1 4.21Å; I390-Y400 HydrophobicContact CG2-CE1 4.11Å; L395-Y400 WeakPolarHBondContact CD1-OH 3Å; Y400-K439 VanDerWaalsContact CD2-O 3.25Å; Y400-K439 WeakPolarHBondContact CD2-O 3.26Å; Y400-K439 PolarHBondContact N-O 3.36Å; Y400-Y440 HydrophobicContact CD2-CD1 4.11Å; Y400-Y440 HydrophobicContact CD2-CE1 4.4Å; Y400-Y440 HydrophobicContact CE2-CE1 4.38Å; Y400-G441 WeakPolarHBondContact O-CA 3.44Å
401	G	38.9	Very low	39.3	Very low	24 Å²	24	54.4 Å²	54.4	25%	0.247	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-64.5	161.6	-160.6	0	0	0	0	0	116.1	G372 G441	G372-G401 VanDerWaalsContact O-CA 3.29Å; G372-G401 WeakPolarHBondContact O-CA 3.36Å; G401-G441 WeakPolarHBondContact O-CA 3.12Å
402	S	37.9	Very low	40.3	Very low	69 Å²	69	52.7 Å²	52.7	48%	0.483	30%	0.296	S	S	.	.	P	Polyproline II helix	trans	-92.8	135.6	176.9	38.1	0	0	0	0	109.8	S442	S402-S442 CarbonylContact C-O 3.59Å; S402-S442 WeakPolarHBondContact CA-O 3.18Å
403	K	50.6	Low	41.6	Very low	24 Å²	24	57.5 Å²	57.5	10%	0.104	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	137.6	171.2	-58.5	-174.2	-167.9	170	0	108.9	L374 I388 S442 L443 S444	L374-K403 HydrophobicContact CB-CG 4.33Å; I388-K403 HydrophobicContact CD1-CD 4.49Å; K403-S442 PolarHBondContact N-O 2.95Å; K403-L443 HydrophobicContact CB-CD2 4.31Å; K403-L443 HydrophobicContact CB-CG 4.35Å; K403-L443 HydrophobicContact CD-CD2 3.62Å; K403-L443 HydrophobicContact CD-CG 3.87Å; K403-L443 HydrophobicContact CG-CG 4.46Å; K403-S444 PolarHBondContact O-N 3.18Å; K403-S444 PolarHBondContact O-OG 3.18Å
404	S	41.3	Very low	42.7	Very low	64 Å²	64	57.5 Å²	57.5	45%	0.448	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	129.9	-179.2	51.9	0	0	0	0	110.4	L374 S375 S444	L374-S404 PolarHBondContact O-N 3.02Å; S375-S404 WeakPolarHBondContact CA-O 3.25Å; S375-S404 WeakPolarHBondContact CB-O 3.22Å; S404-S444 WeakPolarHBondContact CA-O 3.41Å
405	G	40.1	Very low	43.9	Very low	33 Å²	33	55.6 Å²	55.6	34%	0.34	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	85.9	66.8	167.2	0	0	0	0	0	114.3	G376 L377 S444 G445	G376-G405 WeakPolarHBondContact CA-O 3.43Å; G376-G405 PolarHBondContact N-O 3.42Å; L377-G405 PolarHBondContact N-O 2.85Å; G405-S444 PolarHBondContact N-O 3.18Å; G405-G445 CarbonylContact C-O 3.54Å; G405-G445 WeakPolarHBondContact CA-O 3.34Å; G405-G445 PolarHBondContact N-O 3.03Å; G405-G445 VanDerWaalsContact N-O 3.14Å
406	L	50.2	Low	45.1	Very low	4 Å²	4	55 Å²	55	2%	0.021	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	116.8	161.7	-54.3	-176.1	0	0	0	106.3	L377 I386 I416 G445 L446 S447	L377-L406 HydrophobicContact CB-CD2 3.51Å; L377-L406 HydrophobicContact CD1-CD2 3.44Å; L377-L406 VanDerWaalsContact CD1-CD2 3.44Å; L377-L406 HydrophobicContact CG-CD2 3.34Å; I386-L406 HydrophobicContact CD1-CD1 4.1Å; L406-I416 HydrophobicContact CD1-CD1 3.48Å; L406-I416 VanDerWaalsContact CD1-CD1 3.48Å; L406-I416 HydrophobicContact CD1-CG1 4.4Å; L406-G445 PolarHBondContact N-O 3.32Å; L406-L446 HydrophobicContact CB-CD2 3.5Å; L406-L446 HydrophobicContact CD1-CD2 3.41Å; L406-L446 VanDerWaalsContact CD1-CD2 3.41Å; L406-L446 HydrophobicContact CG-CD2 3.52Å; L406-L446 CarbonylContact O-C 3.53Å; L406-L446 VanDerWaalsContact O-CA 3.28Å; L406-L446 WeakPolarHBondContact O-CA 3.26Å; L406-S447 PolarHBondContact O-N 3.5Å
407	S	47.5	Very low	46.2	Very low	41 Å²	41	50.8 Å²	50.8	29%	0.287	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	114.5	179.6	-166.6	0	0	0	0	109.9	L377 S378 S447	L377-S407 PolarHBondContact O-N 2.78Å; S378-S407 WeakPolarHBondContact CA-O 3.3Å; S378-S407 WeakPolarHBondContact CB-O 3.34Å; S407-S447 VanDerWaalsContact CA-O 3.25Å; S407-S447 WeakPolarHBondContact CA-O 3.46Å; S407-S447 VanDerWaalsContact CB-OG 3.3Å; S407-S447 WeakPolarHBondContact CB-OG 3.46Å; S407-S447 PolarHBondContact OG-OG 3.32Å
408	G	46.4	Very low	47.1	Very low	0 Å²	0	51 Å²	51	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	151.1	171.1	0	0	0	0	0	110.9	S447 G448 E449 Q452	G408-S447 PolarHBondContact N-O 2.94Å; G408-S447 VanDerWaalsContact N-O 3.07Å; G408-G448 WeakPolarHBondContact O-CA 3.32Å; G408-E449 PolarHBondContact O-N 3.11Å; G408-Q452 PolarHBondContact O-NE2 3.11Å
409	K	47	Very low	47.7	Very low	87 Å²	87	44.6 Å²	44.6	38%	0.378	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	141.3	161.4	-69.7	-176	176.6	-178.7	0	109.9	G379 E380 N381 Q452	G379-K409 PolarHBondContact O-N 2.9Å; E380-K409 HydrophobicContact CG-CB 4.24Å; E380-K409 HydrophobicContact CG-CD 4.49Å; E380-K409 IonicContact OE1-NZ 3.95Å; N381-K409 PolarHBondContact N-O 2.79Å; N381-K409 VanDerWaalsContact N-O 3.13Å; K409-Q452 VanDerWaalsContact C-NE2 3.33Å; K409-Q452 VanDerWaalsContact CA-NE2 3.28Å
410	N	50.2	Low	48.3	Very low	64 Å²	64	37 Å²	37	34%	0.342	22%	0.22	S	C	.	.	S	Bend	trans	49.7	108.9	171.5	-64.3	-29.4	0	0	0	115.9	N381 Q412 E449 N450	N381-N410 VanDerWaalsContact CA-O 3.26Å; N381-N410 WeakPolarHBondContact CA-O 3.47Å; N381-N410 PolarHBondContact N-O 3.01Å; N381-N410 WeakPolarHBondContact OD1-CB 3.5Å; N381-N410 PolarHBondContact OD1-O 2.81Å; N410-Q412 PolarHBondContact O-N 3Å; N410-E449 PolarHBondContact N-O 2.84Å; N410-N450 PolarHBondContact OD1-ND2 2.93Å
411	G	48.5	Very low	48.6	Very low	51 Å²	51	38.2 Å²	38.2	53%	0.526	23%	0.228	S	C	.	.	S	Bend	trans	64.1	2.6	164.5	0	0	0	0	0	117.5	N450	G411-N450 PolarHBondContact N-O 3.04Å
412	Q	56	Low	48.5	Very low	12 Å²	12	37.7 Å²	37.7	6%	0.056	22%	0.222	C	C	.	.			trans	-69.1	136.4	-176.2	-155.8	177.7	36.4	0	0	112	G379 G382 N410 I414 S453	G379-Q412 PolarHBondContact O-OE1 2.9Å; G382-Q412 CarbonylContact O-C 3.56Å; G382-Q412 VanDerWaalsContact O-CA 3.29Å; G382-Q412 WeakPolarHBondContact O-CA 3.4Å; G382-Q412 WeakPolarHBondContact O-CG 3.42Å; N410-Q412 PolarHBondContact O-N 3Å; Q412-I414 HydrophobicContact CG-CG1 4.47Å; Q412-S453 PolarHBondContact O-N 3Å
413	R	58.3	Low	48	Very low	119 Å²	119	35.6 Å²	35.6	45%	0.449	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	119	169.2	-64.5	-175.3	178.5	175.3	1	109.8	G382 Q383 L384 Y415 S453	G382-R413 PolarHBondContact O-N 3.34Å; Q383-R413 WeakPolarHBondContact CA-O 3.28Å; Q383-R413 HydrophobicContact CG-CB 4.47Å; L384-R413 PolarHBondContact N-O 3.01Å; R413-Y415 HydrophobicContact CB-CD2 4.45Å; R413-Y415 HydrophobicContact CB-CE2 3.73Å; R413-S453 WeakPolarHBondContact CA-O 3.27Å
414	I	54.2	Low	46.8	Very low	3 Å²	3	37.6 Å²	37.6	2%	0.015	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	117	-179.8	-56.2	175.5	0	0	0	108.6	L384 Q412 I416 S453 I454 Y455	L384-I414 HydrophobicContact CB-CG1 4.46Å; L384-I414 HydrophobicContact CD2-CG2 4.43Å; L384-I414 WeakPolarHBondContact O-CA 3.33Å; Q412-I414 HydrophobicContact CG-CG1 4.47Å; I414-I416 HydrophobicContact CG2-CD1 4.22Å; I414-I416 HydrophobicContact CG2-CG1 3.91Å; I414-S453 PolarHBondContact N-O 3.02Å; I414-S453 VanDerWaalsContact N-O 3.11Å; I414-I454 HydrophobicContact CB-CG2 4.47Å; I414-I454 CarbonylContact O-C 3.56Å; I414-Y455 PolarHBondContact O-N 2.8Å
415	Y	55.1	Low	46	Very low	65 Å²	65	34.9 Å²	34.9	26%	0.255	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	118.2	175.5	-63.4	-90.1	0	0	0	109.6	L384 H385 I386 R413 Y455	L384-Y415 PolarHBondContact O-N 3.23Å; H385-Y415 VanDerWaalsContact CD2-CB 3.46Å; H385-Y415 WeakPolarHBondContact CD2-CB 3.4Å; I386-Y415 PolarHBondContact N-O 2.86Å; R413-Y415 HydrophobicContact CB-CD2 4.45Å; R413-Y415 HydrophobicContact CB-CE2 3.73Å; Y415-Y455 CarbonylContact C-O 3.47Å; Y415-Y455 WeakPolarHBondContact CA-O 3.44Å; Y415-Y455 AromaticContact CD1-CD2 3.8Å; Y415-Y455 HydrophobicContact CD1-CD2 3.8Å; Y415-Y455 AromaticContact CD1-CG 3.84Å; Y415-Y455 HydrophobicContact CD1-CG 3.84Å; Y415-Y455 HydrophobicContact CE1-CD1 4.34Å; Y415-Y455 AromaticContact CE1-CD2 3.38Å; Y415-Y455 HydrophobicContact CE1-CD2 3.38Å; Y415-Y455 AromaticContact CE1-CE2 3.91Å; Y415-Y455 HydrophobicContact CE1-CE2 3.91Å; Y415-Y455 AromaticContact CE1-CG 3.64Å; Y415-Y455 HydrophobicContact CE1-CG 3.64Å; Y415-Y455 HydrophobicContact CG-CD2 4.5Å; Y415-Y455 AromaticContact CZ-CD2 3.79Å; Y415-Y455 AromaticContact CZ-CE2 3.99Å
416	I	52.5	Low	45.3	Very low	0 Å²	0	41.4 Å²	41.4	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	105.8	177.5	-51.7	178.2	0	0	0	108.5	I386 L406 I414 V418 L443 L446 Y455 I456 T457	I386-I416 HydrophobicContact CD1-CG1 4.44Å; I386-I416 WeakPolarHBondContact O-CA 3.29Å; L406-I416 HydrophobicContact CD1-CD1 3.48Å; L406-I416 VanDerWaalsContact CD1-CD1 3.48Å; L406-I416 HydrophobicContact CD1-CG1 4.4Å; I414-I416 HydrophobicContact CG2-CD1 4.22Å; I414-I416 HydrophobicContact CG2-CG1 3.91Å; I416-V418 HydrophobicContact CG2-CG2 4.22Å; I416-L443 HydrophobicContact CD1-CD2 4.08Å; I416-L443 HydrophobicContact CG2-CD2 4.36Å; I416-L446 HydrophobicContact CD1-CD1 4.07Å; I416-L446 HydrophobicContact CD1-CD2 4.3Å; I416-Y455 PolarHBondContact N-O 2.87Å; I416-I456 HydrophobicContact CD1-CG1 4.41Å; I416-I456 CarbonylContact O-C 3.53Å; I416-I456 WeakPolarHBondContact O-CA 3.44Å; I416-T457 PolarHBondContact O-N 2.81Å
417	T	52.2	Low	44.1	Very low	27 Å²	27	50.6 Å²	50.6	17%	0.166	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	124.9	173.4	-57.5	0	0	0	0	109.4	I386 I388 N419 T457	I386-T417 PolarHBondContact O-N 3.19Å; I388-T417 PolarHBondContact N-O 2.81Å; T417-N419 WeakPolarHBondContact CG2-OD1 2.93Å; T417-T457 CarbonylContact C-O 3.53Å; T417-T457 WeakPolarHBondContact CA-O 3.28Å
418	V	50.8	Low	43.1	Very low	24 Å²	24	49.5 Å²	49.5	15%	0.145	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	105.1	175	-176.6	0	0	0	0	108.3	I416 L443 T457 V458 N459	I416-V418 HydrophobicContact CG2-CG2 4.22Å; V418-L443 HydrophobicContact CG2-CD1 4.48Å; V418-T457 PolarHBondContact N-O 2.82Å; V418-V458 HydrophobicContact CB-CG2 4.46Å; V418-V458 WeakPolarHBondContact O-CA 3.49Å; V418-N459 PolarHBondContact O-N 2.98Å
419	N	46.8	Very low	42.1	Very low	28 Å²	28	58.4 Å²	58.4	15%	0.15	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	130.1	177.3	-62.4	-39.2	0	0	0	109.9	I388 N389 I390 T417 N459	I388-N419 PolarHBondContact O-N 2.94Å; N389-N419 WeakPolarHBondContact OD1-CB 3.33Å; N389-N419 PolarHBondContact OD1-ND2 3.31Å; I390-N419 PolarHBondContact N-O 2.88Å; T417-N419 WeakPolarHBondContact CG2-OD1 2.93Å; N419-N459 WeakPolarHBondContact OD1-CB 3.11Å; N419-N459 PolarHBondContact OD1-ND2 2.94Å
420	S	47.6	Very low	41.1	Very low	16 Å²	16	61.9 Å²	61.9	11%	0.112	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	89.3	171	55.3	0	0	0	0	109.5	I390 N459 S460	I390-S420 WeakPolarHBondContact O-CA 3.34Å; S420-N459 PolarHBondContact N-O 3.23Å; S420-N459 PolarHBondContact OG-O 3.3Å; S420-S460 VanDerWaalsContact OG-CA 3.28Å; S420-S460 WeakPolarHBondContact OG-CA 3.43Å; S420-S460 WeakPolarHBondContact OG-CB 3.44Å
421	D	48.3	Very low	40	Very low	48 Å²	48	60.1 Å²	60.1	26%	0.257	29%	0.291	S	S	.	.			trans	-83.8	135.3	-168.5	-80.2	18.7	0	0	0	113.5	I390 F391 P392	I390-D421 PolarHBondContact O-N 2.99Å; F391-D421 HydrophobicContact CD1-CB 3.4Å; F391-D421 HydrophobicContact CE1-CB 3.76Å; F391-D421 WeakPolarHBondContact CE1-OD2 3.46Å; F391-D421 HydrophobicContact CG-CB 4.23Å; P392-D421 WeakPolarHBondContact CD-O 3.12Å
422	G	37.2	Very low	38.9	Very low	12 Å²	12	58.3 Å²	58.3	12%	0.124	27%	0.27	C	S	.	.			trans	-128.9	69.9	160.8	0	0	0	0	0	110.3
423	S	27.9	Very low	37.6	Very low	26 Å²	26	61.2 Å²	61.2	18%	0.182	29%	0.289	C	S	.	.			trans	42.6	105.8	165.6	56.9	0	0	0	0	116.7	P363 S425	P363-S423 VanDerWaalsContact CD-CB 3.4Å; P363-S423 WeakPolarHBondContact CD-OG 3.29Å; P363-S423 WeakPolarHBondContact CG-OG 3.29Å; S423-S425 PolarHBondContact O-N 3.09Å
424	G	24.2	Very low	36.1	Very low	66 Å²	66	63.8 Å²	63.8	68%	0.68	30%	0.299	S	S	*	.			trans	-53.5	110.9	153.4	0	0	0	0	0	108.4	Y426	G424-Y426 PolarHBondContact O-N 3.3Å
425	S	25.8	Very low	34.8	Very low	6 Å²	6	65.6 Å²	65.6	4%	0.042	31%	0.306	C	S	.	.			trans	-80.4	123.7	175.1	89.2	0	0	0	0	108.2	S423 S464 S465	S423-S425 PolarHBondContact O-N 3.09Å; S425-S464 WeakPolarHBondContact CB-O 3.41Å; S425-S464 PolarHBondContact N-OG 3.26Å; S425-S464 VanDerWaalsContact OG-C 3.25Å; S425-S464 PolarHBondContact OG-O 2.99Å; S425-S465 WeakPolarHBondContact OG-CA 3.32Å
426	Y	24.8	Very low	33.7	Very low	171 Å²	171	64.9 Å²	64.9	67%	0.671	31%	0.311	S	S	*	.	S	Bend		-93.7	146.3	127.9	-66.5	-90.1	0	0	0	105.4	P360 G424 N428	P360-Y426 WeakPolarHBondContact CA-O 3Å; P360-Y426 WeakPolarHBondContact CB-O 3.4Å; G424-Y426 PolarHBondContact O-N 3.3Å; Y426-N428 PolarHBondContact O-N 3.12Å
427	R	24.1	Very low	32.8	Very low	197 Å²	197	65.7 Å²	65.7	74%	0.743	32%	0.319	S	S	*	.	S	Bend	trans	30.6	54.8	161.6	-95.4	-176.3	177.4	-160.2	0.9	120	P360	P360-R427 VanDerWaalsContact CB-C 3.49Å; P360-R427 VanDerWaalsContact CB-CA 3.47Å; P360-R427 HydrophobicContact CB-CB 3.31Å; P360-R427 WeakPolarHBondContact CB-O 3.37Å; P360-R427 HydrophobicContact CG-CB 3.39Å
428	N	26.5	Very low	32.2	Very low	18 Å²	18	72.7 Å²	72.7	10%	0.096	34%	0.343	C	S	.	.			trans	-47.1	137	156.6	-83.4	-82	0	0	0	115.4	P360 F361 S362 Y426 N468	P360-N428 PolarHBondContact O-ND2 2.89Å; F361-N428 WeakPolarHBondContact CA-ND2 3.43Å; F361-N428 PolarHBondContact N-ND2 3.23Å; F361-N428 VanDerWaalsContact N-ND2 3.19Å; S362-N428 PolarHBondContact N-ND2 2.87Å; S362-N428 VanDerWaalsContact OG-CB 3.28Å; S362-N428 WeakPolarHBondContact OG-CB 3.2Å; S362-N428 PolarHBondContact OG-OD1 2.9Å; Y426-N428 PolarHBondContact O-N 3.12Å; N428-N468 PolarHBondContact O-ND2 3.22Å; N428-N468 PolarHBondContact O-OD1 3.03Å
429	R	25.9	Very low	31.6	Very low	187 Å²	187	74.9 Å²	74.9	71%	0.706	35%	0.35	S	S	*	.	S	Bend	trans	-113.1	-15.1	157.1	-93.9	-170	-71.6	-178.3	-2.5	115.2	N468	R429-N468 WeakPolarHBondContact CA-ND2 3.09Å; R429-N468 WeakPolarHBondContact CA-OD1 3.24Å; R429-N468 PolarHBondContact N-ND2 2.99Å; R429-N468 PolarHBondContact O-OD1 2.96Å
430	Y	25.9	Very low	31.5	Very low	160 Å²	160	76.5 Å²	76.5	63%	0.627	36%	0.355	S	S	*	.			trans	-140.2	94.8	-175.3	-64.1	-81.2	0	0	0	111.2	S362	S362-Y430 PolarHBondContact OG-O 3.42Å
431	F	26.6	Very low	31.2	Very low	27 Å²	27	77 Å²	77	12%	0.118	36%	0.362	C	S	.	.			trans	-84.8	136.1	170.6	-79.4	-78.5	0	0	0	111.3	T433 N468 S472	F431-T433 PolarHBondContact O-N 3.02Å; F431-N468 WeakPolarHBondContact CD2-ND2 3.48Å; F431-S472 WeakPolarHBondContact CB-OG 3.31Å
432	P	27.4	Very low	31	Very low	12 Å²	12	76 Å²	76	8%	0.078	36%	0.359	C	S	.	.			trans	-69.8	118.2	178.9	19.6	-26.5	0	0	0	113.1	R394 R434 F435 S472	R394-P432 HydrophobicContact CG-CB 3.47Å; R394-P432 VanDerWaalsContact CG-CB 3.47Å; R394-P432 HydrophobicContact CG-CG 4.09Å; R394-P432 VanDerWaalsContact NH2-CA 3.3Å; P432-R434 VanDerWaalsContact C-N 3.25Å; P432-R434 PolarHBondContact O-N 2.9Å; P432-F435 HydrophobicContact CG-CE2 3.8Å; P432-F435 HydrophobicContact CG-CZ 4.02Å; P432-S472 VanDerWaalsContact O-CB 3.31Å; P432-S472 WeakPolarHBondContact O-CB 3.32Å; P432-S472 PolarHBondContact O-OG 2.66Å
433	T	27.5	Very low	31.3	Very low	73 Å²	73	76.1 Å²	76.1	45%	0.448	36%	0.357	S	S	.	.	S	Bend	trans	-45.8	-16.6	-172.5	36.5	0	0	0	0	120.3	R394 F431 T473	R394-T433 VanDerWaalsContact NH2-N 3.16Å; R394-T433 PolarHBondContact NH2-OG1 3.44Å; R394-T433 VanDerWaalsContact NH2-OG1 3.08Å; F431-T433 PolarHBondContact O-N 3.02Å; T433-T473 PolarHBondContact O-N 3.29Å
434	R	27.6	Very low	32	Very low	174 Å²	174	76.4 Å²	76.4	66%	0.657	36%	0.359	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-149.7	125.5	-179.8	-66.6	-176.1	-175.3	171.9	2.2	112	P432	P432-R434 VanDerWaalsContact C-N 3.25Å; P432-R434 PolarHBondContact O-N 2.9Å
435	F	26.1	Very low	32.9	Very low	41 Å²	41	74.5 Å²	74.5	18%	0.18	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	118.8	166.6	-83.1	-91.3	0	0	0	109.8	T393 P432 R474 F475 S476	T393-F435 HydrophobicContact CG2-CE1 3.94Å; T393-F435 HydrophobicContact CG2-CZ 3.9Å; P432-F435 HydrophobicContact CG-CE2 3.8Å; P432-F435 HydrophobicContact CG-CZ 4.02Å; F435-R474 PolarHBondContact N-O 2.84Å; F435-F475 HydrophobicContact CB-CD1 3.75Å; F435-F475 HydrophobicContact CB-CE1 3.91Å; F435-F475 HydrophobicContact CD2-CD1 4.17Å; F435-F475 AromaticContact CD2-CE1 3.49Å; F435-F475 HydrophobicContact CD2-CE1 3.49Å; F435-F475 VanDerWaalsContact CD2-CE1 3.49Å; F435-F475 AromaticContact CD2-CZ 3.84Å; F435-F475 HydrophobicContact CD2-CZ 3.84Å; F435-F475 HydrophobicContact CE2-CE1 4.1Å; F435-F475 HydrophobicContact CE2-CZ 4.21Å; F435-F475 HydrophobicContact CG-CD1 4.17Å; F435-F475 AromaticContact CG-CE1 3.8Å; F435-F475 HydrophobicContact CG-CE1 3.8Å; F435-S476 PolarHBondContact O-N 2.89Å; F435-S476 VanDerWaalsContact O-N 3.11Å
436	S	32.2	Very low	34.2	Very low	50 Å²	50	74.5 Å²	74.5	35%	0.35	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	93.6	177	72.9	0	0	0	0	113.3	S476	S436-S476 WeakPolarHBondContact CA-O 3.44Å
437	G	33.2	Very low	35.4	Very low	17 Å²	17	68.1 Å²	68.1	18%	0.175	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	134.4	174.1	0	0	0	0	0	112.5	R478	G437-R478 PolarHBondContact O-N 2.73Å
438	R	39.7	Very low	36.7	Very low	173 Å²	173	58.9 Å²	58.9	65%	0.653	29%	0.286	S	S	*	.			trans	-99.8	-26.7	-172.8	-69.6	-168.9	-175.6	-165.9	2.9	116.5	K479	R438-K479 WeakPolarHBondContact O-CB 3.1Å
439	K	38.5	Very low	37.8	Very low	71 Å²	71	61.5 Å²	61.5	31%	0.309	30%	0.297	S	S	.	.			trans	-167.5	112	-174.3	-170.4	177.6	-179.4	-172.6	0	112.7	R399 Y400 K479	R399-K439 HydrophobicContact CG-CD 4.35Å; Y400-K439 VanDerWaalsContact CD2-O 3.25Å; Y400-K439 WeakPolarHBondContact CD2-O 3.26Å; Y400-K439 PolarHBondContact N-O 3.36Å; K439-K479 WeakPolarHBondContact CA-O 3.46Å
440	Y	44.2	Very low	39.1	Very low	61 Å²	61	55.7 Å²	55.7	24%	0.239	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-81	151.2	168.7	-63.3	-77.9	0	0	0	110.8	Y400 K479 Y480 G481	Y400-Y440 HydrophobicContact CD2-CD1 4.11Å; Y400-Y440 HydrophobicContact CD2-CE1 4.4Å; Y400-Y440 HydrophobicContact CE2-CE1 4.38Å; Y440-K479 PolarHBondContact N-O 3.04Å; Y440-K479 VanDerWaalsContact N-O 3.12Å; Y440-Y480 AromaticContact CD2-CD1 3.88Å; Y440-Y480 HydrophobicContact CD2-CD1 3.88Å; Y440-Y480 HydrophobicContact CD2-CE1 4.17Å; Y440-Y480 HydrophobicContact CE2-CD1 4.33Å; Y440-Y480 HydrophobicContact CE2-CE1 4.15Å; Y440-G481 VanDerWaalsContact O-CA 3.28Å; Y440-G481 WeakPolarHBondContact O-CA 3.49Å
441	G	42.7	Very low	40.4	Very low	26 Å²	26	58.3 Å²	58.3	27%	0.268	29%	0.289	S	S	.	.	P	Polyproline II helix	trans	-61.8	157.6	-166.3	0	0	0	0	0	115.1	Y400 G401 G481	Y400-G441 WeakPolarHBondContact O-CA 3.44Å; G401-G441 WeakPolarHBondContact O-CA 3.12Å; G441-G481 WeakPolarHBondContact O-CA 3.04Å
442	S	42.4	Very low	41.9	Very low	28 Å²	28	57 Å²	57	20%	0.196	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-94.4	136.3	173.4	46.5	0	0	0	0	110.5	S402 K403 S482	S402-S442 CarbonylContact C-O 3.59Å; S402-S442 WeakPolarHBondContact CA-O 3.18Å; K403-S442 PolarHBondContact N-O 2.95Å; S442-S482 CarbonylContact C-O 3.56Å; S442-S482 WeakPolarHBondContact CA-O 3.28Å; S442-S482 WeakPolarHBondContact CB-O 3.42Å; S442-S482 WeakPolarHBondContact CB-OG 3.45Å
443	L	44.2	Very low	43.5	Very low	14 Å²	14	57.4 Å²	57.4	7%	0.073	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	119.8	175.1	-97.4	135.9	0	0	0	107.2	K403 I416 V418 S482 L483 S484	K403-L443 HydrophobicContact CB-CD2 4.31Å; K403-L443 HydrophobicContact CB-CG 4.35Å; K403-L443 HydrophobicContact CD-CD2 3.62Å; K403-L443 HydrophobicContact CD-CG 3.87Å; K403-L443 HydrophobicContact CG-CG 4.46Å; I416-L443 HydrophobicContact CD1-CD2 4.08Å; I416-L443 HydrophobicContact CG2-CD2 4.36Å; V418-L443 HydrophobicContact CG2-CD1 4.48Å; L443-S482 PolarHBondContact N-O 2.75Å; L443-L483 HydrophobicContact CB-CD2 3.33Å; L443-L483 HydrophobicContact CB-CG 4.23Å; L443-L483 HydrophobicContact CD1-CD2 3.95Å; L443-L483 HydrophobicContact CG-CD2 4.15Å; L443-L483 CarbonylContact O-C 3.55Å; L443-L483 VanDerWaalsContact O-CA 3.29Å; L443-L483 WeakPolarHBondContact O-CA 3.33Å; L443-S484 PolarHBondContact O-N 3.18Å
444	S	43.5	Very low	44.8	Very low	32 Å²	32	54 Å²	54	22%	0.224	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	162.5	178.8	55.2	0	0	0	0	115	K403 S404 G405 S484	K403-S444 PolarHBondContact O-N 3.18Å; K403-S444 PolarHBondContact O-OG 3.18Å; S404-S444 WeakPolarHBondContact CA-O 3.41Å; G405-S444 PolarHBondContact N-O 3.18Å; S444-S484 CarbonylContact C-O 3.59Å; S444-S484 WeakPolarHBondContact CA-O 3.4Å; S444-S484 WeakPolarHBondContact CB-O 3.29Å
445	G	43.1	Very low	46.2	Very low	27 Å²	27	48.6 Å²	48.6	28%	0.278	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	63	53	175.1	0	0	0	0	0	112.7	G405 L406 S484 G485	G405-G445 CarbonylContact C-O 3.54Å; G405-G445 WeakPolarHBondContact CA-O 3.34Å; G405-G445 PolarHBondContact N-O 3.03Å; G405-G445 VanDerWaalsContact N-O 3.14Å; L406-G445 PolarHBondContact N-O 3.32Å; G445-S484 PolarHBondContact N-O 2.95Å; G445-G485 CarbonylContact C-O 3.57Å; G445-G485 WeakPolarHBondContact CA-O 3.31Å; G445-G485 PolarHBondContact N-O 3.24Å
446	L	52	Low	47.5	Very low	5 Å²	5	46.7 Å²	46.7	3%	0.026	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	111.2	164.5	-44.8	-175.6	0	0	0	106.3	L406 I416 I454 I456 G485 L486 S487	L406-L446 HydrophobicContact CB-CD2 3.5Å; L406-L446 HydrophobicContact CD1-CD2 3.41Å; L406-L446 VanDerWaalsContact CD1-CD2 3.41Å; L406-L446 HydrophobicContact CG-CD2 3.52Å; L406-L446 CarbonylContact O-C 3.53Å; L406-L446 VanDerWaalsContact O-CA 3.28Å; L406-L446 WeakPolarHBondContact O-CA 3.26Å; I416-L446 HydrophobicContact CD1-CD1 4.07Å; I416-L446 HydrophobicContact CD1-CD2 4.3Å; L446-I454 HydrophobicContact CB-CD1 4.21Å; L446-I454 HydrophobicContact CD1-CG2 4Å; L446-I456 HydrophobicContact CD1-CD1 3.61Å; L446-I456 HydrophobicContact CD1-CG1 4.46Å; L446-G485 PolarHBondContact N-O 3.15Å; L446-L486 HydrophobicContact CB-CD2 3.61Å; L446-L486 HydrophobicContact CD1-CD2 3.49Å; L446-L486 VanDerWaalsContact CD1-CD2 3.49Å; L446-L486 HydrophobicContact CG-CD2 3.38Å; L446-L486 CarbonylContact O-C 3.59Å; L446-L486 VanDerWaalsContact O-CA 3.3Å; L446-L486 WeakPolarHBondContact O-CA 3.41Å; L446-S487 PolarHBondContact O-N 3.21Å
447	S	50.3	Low	48.5	Very low	37 Å²	37	46.1 Å²	46.1	26%	0.259	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	146.8	172.9	54.7	0	0	0	0	110.6	L406 S407 G408 S487	L406-S447 PolarHBondContact O-N 3.5Å; S407-S447 VanDerWaalsContact CA-O 3.25Å; S407-S447 WeakPolarHBondContact CA-O 3.46Å; S407-S447 VanDerWaalsContact CB-OG 3.3Å; S407-S447 WeakPolarHBondContact CB-OG 3.46Å; S407-S447 PolarHBondContact OG-OG 3.32Å; G408-S447 PolarHBondContact N-O 2.94Å; G408-S447 VanDerWaalsContact N-O 3.07Å; S447-S487 WeakPolarHBondContact CA-O 3.47Å
448	G	50.5	Low	49.4	Very low	4 Å²	4	46.8 Å²	46.8	4%	0.041	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	161	171.6	0	0	0	0	0	110	G408 S487 E489 Q492	G408-G448 WeakPolarHBondContact O-CA 3.32Å; G448-S487 PolarHBondContact N-O 2.98Å; G448-E489 PolarHBondContact O-N 2.64Å; G448-Q492 PolarHBondContact O-NE2 3.46Å
449	E	50.6	Low	49.8	Very low	73 Å²	73	40.1 Å²	40.1	34%	0.341	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	133.7	168	-71	169.9	-162.7	0	0	108.6	G408 N410 Q452	G408-E449 PolarHBondContact O-N 3.11Å; N410-E449 PolarHBondContact N-O 2.84Å; E449-Q452 VanDerWaalsContact N-NE2 3.12Å; E449-Q452 WeakPolarHBondContact O-CG 3.37Å; E449-Q452 PolarHBondContact O-NE2 2.94Å
450	N	52.8	Low	50.2	Low	65 Å²	65	37.4 Å²	37.4	35%	0.348	20%	0.199	S	C	.	.	S	Bend	trans	60.9	103.3	171.6	-63	-38.2	0	0	0	117	N410 G411 Q452 E489 N490	N410-N450 PolarHBondContact OD1-ND2 2.93Å; G411-N450 PolarHBondContact N-O 3.04Å; N450-Q452 VanDerWaalsContact C-N 3.28Å; N450-Q452 PolarHBondContact O-N 2.75Å; N450-Q452 VanDerWaalsContact O-N 3.1Å; N450-E489 PolarHBondContact N-O 2.94Å; N450-N490 PolarHBondContact OD1-ND2 3.48Å
451	R	53.3	Low	50.2	Low	215 Å²	215	38.4 Å²	38.4	81%	0.811	21%	0.209	S	C	*	.	S	Bend	trans	52.3	34.1	163.7	-62.4	-175.2	177.9	170.3	0.7	115.8	N490	R451-N490 PolarHBondContact N-O 3.32Å
452	Q	59.1	Low	50	Low	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.208	C	C	.	.			trans	-82.7	154.1	180	-62.1	-176.9	7.8	0	0	112.7	G408 K409 E449 N450 Q492 R493	G408-Q452 PolarHBondContact O-NE2 3.11Å; K409-Q452 VanDerWaalsContact C-NE2 3.33Å; K409-Q452 VanDerWaalsContact CA-NE2 3.28Å; E449-Q452 VanDerWaalsContact N-NE2 3.12Å; E449-Q452 WeakPolarHBondContact O-CG 3.37Å; E449-Q452 PolarHBondContact O-NE2 2.94Å; N450-Q452 VanDerWaalsContact C-N 3.28Å; N450-Q452 PolarHBondContact O-N 2.75Å; N450-Q452 VanDerWaalsContact O-N 3.1Å; Q452-Q492 HydrophobicContact CB-CG 4.27Å; Q452-Q492 WeakPolarHBondContact O-CA 3.38Å; Q452-R493 PolarHBondContact O-N 2.98Å
453	S	59.9	Low	49.6	Very low	19 Å²	19	37.8 Å²	37.8	13%	0.133	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	117.9	171.3	-62.5	0	0	0	0	111.9	Q412 R413 I414 R493	Q412-S453 PolarHBondContact O-N 3Å; R413-S453 WeakPolarHBondContact CA-O 3.27Å; I414-S453 PolarHBondContact N-O 3.02Å; I414-S453 VanDerWaalsContact N-O 3.11Å; S453-R493 CarbonylContact C-O 3.51Å; S453-R493 WeakPolarHBondContact CA-O 3.32Å
454	I	55.1	Low	48.9	Very low	2 Å²	2	38.7 Å²	38.7	1%	0.01	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	121.6	179.6	-56.1	176.3	0	0	0	108.8	I414 L446 I456 R493 I494 Y495	I414-I454 HydrophobicContact CB-CG2 4.47Å; I414-I454 CarbonylContact O-C 3.56Å; L446-I454 HydrophobicContact CB-CD1 4.21Å; L446-I454 HydrophobicContact CD1-CG2 4Å; I454-I456 HydrophobicContact CG2-CD1 4.31Å; I454-I456 HydrophobicContact CG2-CG1 3.98Å; I454-R493 PolarHBondContact N-O 2.86Å; I454-I494 HydrophobicContact CB-CG1 4.48Å; I454-I494 HydrophobicContact CB-CG2 4.48Å; I454-I494 CarbonylContact O-C 3.58Å; I454-I494 WeakPolarHBondContact O-CA 3.36Å; I454-Y495 PolarHBondContact O-N 3.29Å
455	Y	57.2	Low	48.1	Very low	60 Å²	60	37.6 Å²	37.6	24%	0.235	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	116.8	177.8	-60.8	-93.9	0	0	0	109.9	I414 Y415 I416 Y495	I414-Y455 PolarHBondContact O-N 2.8Å; Y415-Y455 CarbonylContact C-O 3.47Å; Y415-Y455 WeakPolarHBondContact CA-O 3.44Å; Y415-Y455 AromaticContact CD1-CD2 3.8Å; Y415-Y455 HydrophobicContact CD1-CD2 3.8Å; Y415-Y455 AromaticContact CD1-CG 3.84Å; Y415-Y455 HydrophobicContact CD1-CG 3.84Å; Y415-Y455 HydrophobicContact CE1-CD1 4.34Å; Y415-Y455 AromaticContact CE1-CD2 3.38Å; Y415-Y455 HydrophobicContact CE1-CD2 3.38Å; Y415-Y455 AromaticContact CE1-CE2 3.91Å; Y415-Y455 HydrophobicContact CE1-CE2 3.91Å; Y415-Y455 AromaticContact CE1-CG 3.64Å; Y415-Y455 HydrophobicContact CE1-CG 3.64Å; Y415-Y455 HydrophobicContact CG-CD2 4.5Å; Y415-Y455 AromaticContact CZ-CD2 3.79Å; Y415-Y455 AromaticContact CZ-CE2 3.99Å; I416-Y455 PolarHBondContact N-O 2.87Å; Y455-Y495 CarbonylContact C-O 3.56Å; Y455-Y495 WeakPolarHBondContact CA-O 3.49Å; Y455-Y495 AromaticContact CD1-CD2 3.65Å; Y455-Y495 HydrophobicContact CD1-CD2 3.65Å; Y455-Y495 AromaticContact CD1-CG 3.77Å; Y455-Y495 HydrophobicContact CD1-CG 3.77Å; Y455-Y495 HydrophobicContact CE1-CD1 4.35Å; Y455-Y495 AromaticContact CE1-CD2 3.25Å; Y455-Y495 HydrophobicContact CE1-CD2 3.25Å; Y455-Y495 AromaticContact CE1-CE2 3.7Å; Y455-Y495 HydrophobicContact CE1-CE2 3.7Å; Y455-Y495 AromaticContact CE1-CG 3.63Å; Y455-Y495 HydrophobicContact CE1-CG 3.63Å; Y455-Y495 HydrophobicContact CE2-CD2 4.38Å; Y455-Y495 HydrophobicContact CG-CD2 4.35Å; Y455-Y495 AromaticContact CZ-CD2 3.66Å; Y455-Y495 AromaticContact CZ-CE2 3.78Å
456	I	53.4	Low	47.3	Very low	1 Å²	1	42 Å²	42	1%	0.005	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	113.4	178.2	-51.1	178.6	0	0	0	108.1	I416 L446 I454 V458 L483 Y495 I496 T497	I416-I456 HydrophobicContact CD1-CG1 4.41Å; I416-I456 CarbonylContact O-C 3.53Å; I416-I456 WeakPolarHBondContact O-CA 3.44Å; L446-I456 HydrophobicContact CD1-CD1 3.61Å; L446-I456 HydrophobicContact CD1-CG1 4.46Å; I454-I456 HydrophobicContact CG2-CD1 4.31Å; I454-I456 HydrophobicContact CG2-CG1 3.98Å; I456-V458 HydrophobicContact CG2-CG2 4.24Å; I456-L483 HydrophobicContact CD1-CD2 4.05Å; I456-Y495 PolarHBondContact N-O 2.81Å; I456-I496 HydrophobicContact CB-CG1 4.45Å; I456-I496 HydrophobicContact CB-CG2 4.45Å; I456-I496 HydrophobicContact CD1-CG1 4.31Å; I456-I496 CarbonylContact O-C 3.51Å; I456-I496 WeakPolarHBondContact O-CA 3.48Å; I456-T497 PolarHBondContact O-N 3.44Å
457	T	53.5	Low	46	Very low	38 Å²	38	47.8 Å²	47.8	23%	0.233	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	125.8	173	-58.5	0	0	0	0	109.9	I416 T417 V418 N459 T497	I416-T457 PolarHBondContact O-N 2.81Å; T417-T457 CarbonylContact C-O 3.53Å; T417-T457 WeakPolarHBondContact CA-O 3.28Å; V418-T457 PolarHBondContact N-O 2.82Å; T457-N459 WeakPolarHBondContact CG2-OD1 3.35Å; T457-T497 CarbonylContact C-O 3.57Å; T457-T497 VanDerWaalsContact CA-O 3.31Å; T457-T497 WeakPolarHBondContact CA-O 3.25Å
458	V	51.4	Low	44.9	Very low	31 Å²	31	46.2 Å²	46.2	19%	0.188	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	110.2	176.4	-176.4	0	0	0	0	108.3	V418 I456 T497 V498 N499	V418-V458 HydrophobicContact CB-CG2 4.46Å; V418-V458 WeakPolarHBondContact O-CA 3.49Å; I456-V458 HydrophobicContact CG2-CG2 4.24Å; V458-T497 PolarHBondContact N-O 2.91Å; V458-V498 HydrophobicContact CB-CG1 4.43Å; V458-V498 HydrophobicContact CB-CG2 4.42Å; V458-V498 CarbonylContact O-C 3.58Å; V458-V498 WeakPolarHBondContact O-CA 3.43Å; V458-N499 PolarHBondContact O-N 2.88Å
459	N	47.7	Very low	43.9	Very low	34 Å²	34	54.4 Å²	54.4	18%	0.182	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	132.5	179.7	-60.7	-42.2	0	0	0	110.8	V418 N419 S420 T457 N499	V418-N459 PolarHBondContact O-N 2.98Å; N419-N459 WeakPolarHBondContact OD1-CB 3.11Å; N419-N459 PolarHBondContact OD1-ND2 2.94Å; S420-N459 PolarHBondContact N-O 3.23Å; S420-N459 PolarHBondContact OG-O 3.3Å; T457-N459 WeakPolarHBondContact CG2-OD1 3.35Å; N459-N499 WeakPolarHBondContact OD1-CB 3.33Å; N459-N499 PolarHBondContact OD1-ND2 2.96Å
460	S	47.9	Very low	42.8	Very low	13 Å²	13	57.8 Å²	57.8	9%	0.091	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	101.3	173.1	54.1	0	0	0	0	109.9	S420 N499 S500 D501	S420-S460 VanDerWaalsContact OG-CA 3.28Å; S420-S460 WeakPolarHBondContact OG-CA 3.43Å; S420-S460 WeakPolarHBondContact OG-CB 3.44Å; S460-N499 PolarHBondContact N-O 2.86Å; S460-N499 PolarHBondContact OG-O 3.45Å; S460-S500 WeakPolarHBondContact O-CA 3.29Å; S460-S500 WeakPolarHBondContact OG-CA 3.38Å; S460-S500 WeakPolarHBondContact OG-CB 3.24Å; S460-D501 PolarHBondContact O-N 3.3Å
461	D	44	Very low	41.5	Very low	83 Å²	83	56.2 Å²	56.2	44%	0.444	26%	0.259	S	S	.	.			trans	-87.5	129.3	-174.7	-70.3	2	0	0	0	111
462	G	39.1	Very low	40.3	Very low	24 Å²	24	46.2 Å²	46.2	25%	0.247	22%	0.222	C	C	.	.			trans	-81.7	119.3	162.4	0	0	0	0	0	109.3	S464 D501	G462-S464 PolarHBondContact O-N 3.49Å; G462-D501 VanDerWaalsContact CA-O 3.32Å; G462-D501 WeakPolarHBondContact CA-O 3.03Å; G462-D501 PolarHBondContact N-O 2.98Å
463	S	33.2	Very low	38.8	Very low	17 Å²	17	48.8 Å²	48.8	12%	0.119	24%	0.238	C	C	.	.			trans	-44.9	122.8	177.9	54	0	0	0	0	112.9	S503 S504	S463-S503 WeakPolarHBondContact O-CA 3.24Å; S463-S503 WeakPolarHBondContact O-CB 3.42Å; S463-S504 PolarHBondContact O-N 3.02Å
464	S	29	Very low	37.3	Very low	33 Å²	33	54.3 Å²	54.3	23%	0.231	26%	0.256	C	S	.	.			trans	-75.7	149.1	162	60.2	0	0	0	0	109.3	S425 G462 S504	S425-S464 WeakPolarHBondContact CB-O 3.41Å; S425-S464 PolarHBondContact N-OG 3.26Å; S425-S464 VanDerWaalsContact OG-C 3.25Å; S425-S464 PolarHBondContact OG-O 2.99Å; G462-S464 PolarHBondContact O-N 3.49Å; S464-S504 CarbonylContact C-O 3.47Å; S464-S504 VanDerWaalsContact CA-OG 3.31Å; S464-S504 WeakPolarHBondContact CA-OG 3.3Å; S464-S504 VanDerWaalsContact CB-OG 3.23Å; S464-S504 WeakPolarHBondContact CB-OG 3.3Å
465	S	27.3	Very low	35.8	Very low	8 Å²	8	57 Å²	57	6%	0.056	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	116.2	172.5	57.3	0	0	0	0	111.3	S425 S504 Y506	S425-S465 WeakPolarHBondContact OG-CA 3.32Å; S465-S504 PolarHBondContact N-O 3.17Å; S465-S504 PolarHBondContact OG-O 3.14Å; S465-Y506 PolarHBondContact O-N 3.16Å; S465-Y506 VanDerWaalsContact O-N 3.09Å
466	Y	26	Very low	34.6	Very low	120 Å²	120	56.1 Å²	56.1	47%	0.471	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	119.1	166.5	-79.5	-84.3	0	0	0	109.1	Y506	Y466-Y506 HydrophobicContact CD1-CD2 4.14Å; Y466-Y506 HydrophobicContact CD1-CG 4.24Å; Y466-Y506 AromaticContact CE1-CD2 3.8Å; Y466-Y506 HydrophobicContact CE1-CD2 3.8Å; Y466-Y506 HydrophobicContact CE1-CE2 4Å; Y466-Y506 HydrophobicContact CE1-CG 4.1Å; Y466-Y506 AromaticContact CZ-CE2 3.99Å
467	H	25.3	Very low	33.6	Very low	126 Å²	126	57.3 Å²	57.3	58%	0.583	28%	0.282	S	S	*	.	S	Bend	trans	62.3	94.4	172	-91.2	51.4	0	0	0	115.4	Y506	H467-Y506 PolarHBondContact N-O 2.99Å
468	N	27.6	Very low	32.9	Very low	5 Å²	5	62.7 Å²	62.7	3%	0.027	30%	0.298	C	S	.	.			trans	-154.4	131.7	171.9	-143.4	-8.7	0	0	0	117.8	N428 R429 F431 Y470 F471 H507 N508	N428-N468 PolarHBondContact O-ND2 3.22Å; N428-N468 PolarHBondContact O-OD1 3.03Å; R429-N468 WeakPolarHBondContact CA-ND2 3.09Å; R429-N468 WeakPolarHBondContact CA-OD1 3.24Å; R429-N468 PolarHBondContact N-ND2 2.99Å; R429-N468 PolarHBondContact O-OD1 2.96Å; F431-N468 WeakPolarHBondContact CD2-ND2 3.48Å; N468-Y470 PolarHBondContact O-N 2.96Å; N468-F471 VanDerWaalsContact O-CE2 3.27Å; N468-F471 WeakPolarHBondContact O-CE2 3.48Å; N468-H507 PolarHBondContact N-O 3.32Å; N468-N508 WeakPolarHBondContact O-CB 3.31Å
469	R	28.8	Very low	32.1	Very low	175 Å²	175	66.1 Å²	66.1	66%	0.66	31%	0.311	S	S	*	.	S	Bend	trans	-75.5	-14.4	-172.7	-107.7	-178.1	-98.3	-167.2	-4.9	115.3
470	Y	28.4	Very low	31.9	Very low	145 Å²	145	67.9 Å²	67.9	57%	0.569	32%	0.315	S	S	*	.			trans	-138.7	108.5	-177.7	-59	-77.2	0	0	0	111.4	N468	N468-Y470 PolarHBondContact O-N 2.96Å
471	F	25.4	Very low	31.5	Very low	31 Å²	31	68.3 Å²	68.3	14%	0.136	32%	0.321	C	S	.	.			trans	-93.4	151.9	177.2	-73.1	-89.5	0	0	0	112.9	N468 N508 Y510 P512	N468-F471 VanDerWaalsContact O-CE2 3.27Å; N468-F471 WeakPolarHBondContact O-CE2 3.48Å; F471-N508 HydrophobicContact CE2-CB 4.43Å; F471-Y510 WeakPolarHBondContact CB-O 3.29Å; F471-Y510 WeakPolarHBondContact CD2-O 3.44Å; F471-P512 HydrophobicContact CB-CG 4.06Å
472	S	27.1	Very low	31.4	Very low	5 Å²	5	66 Å²	66	4%	0.035	31%	0.312	C	S	.	.			trans	-71.2	125.6	175	-61.2	0	0	0	0	112.2	F431 P432 R474 P512	F431-S472 WeakPolarHBondContact CB-OG 3.31Å; P432-S472 VanDerWaalsContact O-CB 3.31Å; P432-S472 WeakPolarHBondContact O-CB 3.32Å; P432-S472 PolarHBondContact O-OG 2.66Å; S472-R474 VanDerWaalsContact C-N 3.35Å; S472-R474 PolarHBondContact O-N 2.95Å; S472-P512 WeakPolarHBondContact O-CB 3.37Å; S472-P512 VanDerWaalsContact O-CG 3.29Å; S472-P512 WeakPolarHBondContact O-CG 3.34Å
473	T	28	Very low	31.6	Very low	55 Å²	55	65.5 Å²	65.5	34%	0.337	30%	0.304	S	S	.	.	S	Bend	trans	-74.6	-14.9	-165.6	43.8	0	0	0	0	116.2	T433 P512 T513	T433-T473 PolarHBondContact O-N 3.29Å; T473-P512 WeakPolarHBondContact O-CA 3.36Å; T473-T513 PolarHBondContact O-N 3.05Å
474	R	27.2	Very low	32.1	Very low	135 Å²	135	66.3 Å²	66.3	51%	0.509	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	124.2	179.1	-65.2	-174.7	-173.3	176.3	2	113.5	F435 S472	F435-R474 PolarHBondContact N-O 2.84Å; S472-R474 VanDerWaalsContact C-N 3.35Å; S472-R474 PolarHBondContact O-N 2.95Å
475	F	25	Very low	32.7	Very low	59 Å²	59	66.1 Å²	66.1	26%	0.259	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	121.8	162.3	-81.3	-88.4	0	0	0	109.6	F435 L515 S516	F435-F475 HydrophobicContact CB-CD1 3.75Å; F435-F475 HydrophobicContact CB-CE1 3.91Å; F435-F475 HydrophobicContact CD2-CD1 4.17Å; F435-F475 AromaticContact CD2-CE1 3.49Å; F435-F475 HydrophobicContact CD2-CE1 3.49Å; F435-F475 VanDerWaalsContact CD2-CE1 3.49Å; F435-F475 AromaticContact CD2-CZ 3.84Å; F435-F475 HydrophobicContact CD2-CZ 3.84Å; F435-F475 HydrophobicContact CE2-CE1 4.1Å; F435-F475 HydrophobicContact CE2-CZ 4.21Å; F435-F475 HydrophobicContact CG-CD1 4.17Å; F435-F475 AromaticContact CG-CE1 3.8Å; F435-F475 HydrophobicContact CG-CE1 3.8Å; F475-L515 HydrophobicContact CB-CD2 3.86Å; F475-L515 HydrophobicContact CD2-CD2 3.82Å; F475-L515 HydrophobicContact CG-CD2 4.26Å; F475-S516 PolarHBondContact O-N 2.96Å; F475-S516 VanDerWaalsContact O-N 3.17Å
476	S	31	Very low	33.8	Very low	41 Å²	41	65.8 Å²	65.8	29%	0.287	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	114	170.2	79.4	0	0	0	0	113.2	F435 S436 S516	F435-S476 PolarHBondContact O-N 2.89Å; F435-S476 VanDerWaalsContact O-N 3.11Å; S436-S476 WeakPolarHBondContact CA-O 3.44Å; S476-S516 VanDerWaalsContact CA-O 3.3Å; S476-S516 WeakPolarHBondContact CA-O 3.33Å
477	G	32.1	Very low	34.9	Very low	25 Å²	25	62.3 Å²	62.3	26%	0.258	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	139.3	168.5	0	0	0	0	0	110.7	R518	G477-R518 PolarHBondContact O-N 3.44Å
478	R	38.6	Very low	36	Very low	152 Å²	152	56.6 Å²	56.6	57%	0.574	28%	0.279	S	S	*	.			trans	-116.6	-8.2	-168.7	-72.5	-167.3	-177.8	-160.2	2.6	118.1	G437 R518	G437-R478 PolarHBondContact O-N 2.73Å; R478-R518 CarbonylContact C-O 3.54Å; R478-R518 WeakPolarHBondContact CA-O 3.38Å
479	K	35.6	Very low	37.1	Very low	103 Å²	103	60.7 Å²	60.7	45%	0.448	30%	0.297	S	S	.	.			trans	-168.1	116.4	-179.2	-154.8	168.6	179.8	173.7	0	112.4	R438 K439 Y440	R438-K479 WeakPolarHBondContact O-CB 3.1Å; K439-K479 WeakPolarHBondContact CA-O 3.46Å; Y440-K479 PolarHBondContact N-O 3.04Å; Y440-K479 VanDerWaalsContact N-O 3.12Å
480	Y	42.5	Very low	38.4	Very low	70 Å²	70	55.7 Å²	55.7	28%	0.275	28%	0.284	S	S	.	.	P	Polyproline II helix	trans	-82.8	156.3	166.4	-64.8	-85.5	0	0	0	110.6	Y440 K519 Y520	Y440-Y480 AromaticContact CD2-CD1 3.88Å; Y440-Y480 HydrophobicContact CD2-CD1 3.88Å; Y440-Y480 HydrophobicContact CD2-CE1 4.17Å; Y440-Y480 HydrophobicContact CE2-CD1 4.33Å; Y440-Y480 HydrophobicContact CE2-CE1 4.15Å; Y480-K519 WeakPolarHBondContact CD2-O 3.29Å; Y480-K519 PolarHBondContact N-O 3.06Å; Y480-Y520 HydrophobicContact CD2-CD1 4.25Å; Y480-Y520 HydrophobicContact CE2-CD1 4.35Å; Y480-Y520 HydrophobicContact CE2-CE1 4.47Å
481	G	41.4	Very low	39.5	Very low	22 Å²	22	50.3 Å²	50.3	23%	0.227	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-57.9	159.8	-172.8	0	0	0	0	0	115	Y440 G441 G521	Y440-G481 VanDerWaalsContact O-CA 3.28Å; Y440-G481 WeakPolarHBondContact O-CA 3.49Å; G441-G481 WeakPolarHBondContact O-CA 3.04Å; G481-G521 WeakPolarHBondContact O-CA 3.11Å
482	S	41.3	Very low	41	Very low	35 Å²	35	49 Å²	49	25%	0.245	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-100.4	128.8	170.9	50.8	0	0	0	0	110.3	S442 L443 S522	S442-S482 CarbonylContact C-O 3.56Å; S442-S482 WeakPolarHBondContact CA-O 3.28Å; S442-S482 WeakPolarHBondContact CB-O 3.42Å; S442-S482 WeakPolarHBondContact CB-OG 3.45Å; L443-S482 PolarHBondContact N-O 2.75Å; S482-S522 CarbonylContact C-O 3.54Å; S482-S522 WeakPolarHBondContact CA-O 3.42Å; S482-S522 VanDerWaalsContact CB-O 3.29Å; S482-S522 WeakPolarHBondContact CB-O 3.31Å; S482-S522 WeakPolarHBondContact CB-OG 3.26Å
483	L	43.5	Very low	42.7	Very low	14 Å²	14	54.9 Å²	54.9	7%	0.073	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	120.9	174	-83.5	156.2	0	0	0	107.1	L443 I456 I496 S522 L523 S524	L443-L483 HydrophobicContact CB-CD2 3.33Å; L443-L483 HydrophobicContact CB-CG 4.23Å; L443-L483 HydrophobicContact CD1-CD2 3.95Å; L443-L483 HydrophobicContact CG-CD2 4.15Å; L443-L483 CarbonylContact O-C 3.55Å; L443-L483 VanDerWaalsContact O-CA 3.29Å; L443-L483 WeakPolarHBondContact O-CA 3.33Å; I456-L483 HydrophobicContact CD1-CD2 4.05Å; L483-I496 HydrophobicContact CD1-CG2 4Å; L483-S522 PolarHBondContact N-O 2.84Å; L483-S522 VanDerWaalsContact N-O 3.08Å; L483-L523 HydrophobicContact CB-CD2 3.57Å; L483-L523 HydrophobicContact CB-CG 3.91Å; L483-L523 HydrophobicContact CD1-CD2 3.7Å; L483-L523 HydrophobicContact CD1-CG 4.1Å; L483-L523 HydrophobicContact CG-CD2 4.25Å; L483-L523 CarbonylContact O-C 3.54Å; L483-L523 WeakPolarHBondContact O-CA 3.05Å; L483-S524 PolarHBondContact O-N 2.85Å
484	S	42.7	Very low	44	Very low	33 Å²	33	52.4 Å²	52.4	23%	0.231	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	142.5	-175.7	59.8	0	0	0	0	117.2	L443 S444 G445 S524	L443-S484 PolarHBondContact O-N 3.18Å; S444-S484 CarbonylContact C-O 3.59Å; S444-S484 WeakPolarHBondContact CA-O 3.4Å; S444-S484 WeakPolarHBondContact CB-O 3.29Å; G445-S484 PolarHBondContact N-O 2.95Å; S484-S524 CarbonylContact C-O 3.55Å; S484-S524 WeakPolarHBondContact CA-O 3.27Å; S484-S524 WeakPolarHBondContact CB-O 3.27Å
485	G	42	Very low	45.5	Very low	30 Å²	30	48.7 Å²	48.7	31%	0.309	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	75.1	54	-178.4	0	0	0	0	0	111.2	G445 L446 S524 G525	G445-G485 CarbonylContact C-O 3.57Å; G445-G485 WeakPolarHBondContact CA-O 3.31Å; G445-G485 PolarHBondContact N-O 3.24Å; L446-G485 PolarHBondContact N-O 3.15Å; G485-S524 PolarHBondContact N-O 3.03Å; G485-G525 CarbonylContact C-O 3.58Å; G485-G525 WeakPolarHBondContact CA-O 3.49Å; G485-G525 PolarHBondContact N-O 2.77Å
486	L	51	Low	46.9	Very low	1 Å²	1	46 Å²	46	1%	0.005	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	114.2	162.8	-45	-172.9	0	0	0	105.2	L446 I494 I496 G525 L526 S527	L446-L486 HydrophobicContact CB-CD2 3.61Å; L446-L486 HydrophobicContact CD1-CD2 3.49Å; L446-L486 VanDerWaalsContact CD1-CD2 3.49Å; L446-L486 HydrophobicContact CG-CD2 3.38Å; L446-L486 CarbonylContact O-C 3.59Å; L446-L486 VanDerWaalsContact O-CA 3.3Å; L446-L486 WeakPolarHBondContact O-CA 3.41Å; L486-I494 HydrophobicContact CB-CD1 4.03Å; L486-I494 HydrophobicContact CD1-CD1 4.17Å; L486-I494 HydrophobicContact CD1-CG2 3.98Å; L486-I496 HydrophobicContact CD1-CD1 4.01Å; L486-G525 PolarHBondContact N-O 2.82Å; L486-L526 HydrophobicContact CB-CD2 3.52Å; L486-L526 HydrophobicContact CD1-CD2 3.39Å; L486-L526 HydrophobicContact CG-CD2 3.33Å; L486-L526 WeakPolarHBondContact O-CA 2.82Å; L486-S527 PolarHBondContact O-N 3.32Å
487	S	49.2	Very low	48	Very low	47 Å²	47	45.9 Å²	45.9	33%	0.329	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	118.1	-177.8	60.6	0	0	0	0	110.1	L446 S447 G448 S527	L446-S487 PolarHBondContact O-N 3.21Å; S447-S487 WeakPolarHBondContact CA-O 3.47Å; G448-S487 PolarHBondContact N-O 2.98Å; S487-S527 VanDerWaalsContact CA-O 3.24Å; S487-S527 WeakPolarHBondContact CA-O 3.26Å; S487-S527 WeakPolarHBondContact CB-OG 3.37Å
488	G	48.5	Very low	49	Very low	6 Å²	6	46.1 Å²	46.1	6%	0.062	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	158	175.4	0	0	0	0	0	112.7	S527 G528 E529 Q532	G488-S527 PolarHBondContact N-O 3.43Å; G488-G528 WeakPolarHBondContact O-CA 3.39Å; G488-E529 PolarHBondContact O-N 3.37Å; G488-Q532 PolarHBondContact O-NE2 3.29Å
489	E	50.5	Low	49.5	Very low	90 Å²	90	40.7 Å²	40.7	42%	0.421	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	141.5	157.5	-70.4	173.4	-158.8	0	0	109.1	G448 N450 Q492	G448-E489 PolarHBondContact O-N 2.64Å; N450-E489 PolarHBondContact N-O 2.94Å; E489-Q492 PolarHBondContact O-NE2 3Å
490	N	54.5	Low	50.1	Low	71 Å²	71	36.3 Å²	36.3	38%	0.38	21%	0.207	S	C	.	.	S	Bend	trans	56.8	88.3	169.9	-64.3	-33.2	0	0	0	116.3	N450 R451 Q492 E529	N450-N490 PolarHBondContact OD1-ND2 3.48Å; R451-N490 PolarHBondContact N-O 3.32Å; N490-Q492 PolarHBondContact O-N 3Å; N490-E529 PolarHBondContact N-O 2.88Å
491	G	52.1	Low	50.3	Low	32 Å²	32	37.1 Å²	37.1	33%	0.33	22%	0.215	S	C	.	.	S	Bend	trans	71.7	29.7	158	0	0	0	0	0	116.7	N530	G491-N530 PolarHBondContact N-O 3.34Å
492	Q	58.1	Low	50.3	Low	2 Å²	2	37 Å²	37	1%	0.009	21%	0.214	C	C	.	.			trans	-76.6	148.4	180	-66.1	177.1	25.2	0	0	113.2	G448 Q452 E489 N490 Q532 V533	G448-Q492 PolarHBondContact O-NE2 3.46Å; Q452-Q492 HydrophobicContact CB-CG 4.27Å; Q452-Q492 WeakPolarHBondContact O-CA 3.38Å; E489-Q492 PolarHBondContact O-NE2 3Å; N490-Q492 PolarHBondContact O-N 3Å; Q492-Q532 HydrophobicContact CB-CG 4.29Å; Q492-Q532 WeakPolarHBondContact O-CA 3.07Å; Q492-V533 PolarHBondContact O-N 3.11Å
493	R	60.8	Low	50.2	Low	130 Å²	130	36.8 Å²	36.8	49%	0.491	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	116.2	174.2	-61.8	-174.8	178.5	177	-0.3	111.1	Q452 S453 I454 Y495 V533	Q452-R493 PolarHBondContact O-N 2.98Å; S453-R493 CarbonylContact C-O 3.51Å; S453-R493 WeakPolarHBondContact CA-O 3.32Å; I454-R493 PolarHBondContact N-O 2.86Å; R493-Y495 HydrophobicContact CB-CD2 4.49Å; R493-Y495 HydrophobicContact CB-CE2 3.67Å; R493-V533 CarbonylContact C-O 3.48Å; R493-V533 VanDerWaalsContact CA-O 3.25Å; R493-V533 WeakPolarHBondContact CA-O 3.32Å; R493-V533 HydrophobicContact CG-CB 4.41Å
494	I	57	Low	49.7	Very low	3 Å²	3	37.3 Å²	37.3	2%	0.015	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	123.4	179.6	-56.2	176.4	0	0	0	108.9	I454 L486 I496 V533 I534 Y535	I454-I494 HydrophobicContact CB-CG1 4.48Å; I454-I494 HydrophobicContact CB-CG2 4.48Å; I454-I494 CarbonylContact O-C 3.58Å; I454-I494 WeakPolarHBondContact O-CA 3.36Å; L486-I494 HydrophobicContact CB-CD1 4.03Å; L486-I494 HydrophobicContact CD1-CD1 4.17Å; L486-I494 HydrophobicContact CD1-CG2 3.98Å; I494-I496 HydrophobicContact CG2-CD1 4.17Å; I494-I496 HydrophobicContact CG2-CG1 3.91Å; I494-V533 PolarHBondContact N-O 3.48Å; I494-I534 HydrophobicContact CB-CG1 4.45Å; I494-I534 HydrophobicContact CB-CG2 4.35Å; I494-I534 CarbonylContact O-C 3.55Å; I494-I534 WeakPolarHBondContact O-CA 3.49Å; I494-Y535 PolarHBondContact O-N 3.08Å
495	Y	58.9	Low	49.1	Very low	57 Å²	57	37 Å²	37	22%	0.224	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	117.7	177.4	-60.4	-92	0	0	0	109.7	I454 Y455 I456 R493 Y535	I454-Y495 PolarHBondContact O-N 3.29Å; Y455-Y495 CarbonylContact C-O 3.56Å; Y455-Y495 WeakPolarHBondContact CA-O 3.49Å; Y455-Y495 AromaticContact CD1-CD2 3.65Å; Y455-Y495 HydrophobicContact CD1-CD2 3.65Å; Y455-Y495 AromaticContact CD1-CG 3.77Å; Y455-Y495 HydrophobicContact CD1-CG 3.77Å; Y455-Y495 HydrophobicContact CE1-CD1 4.35Å; Y455-Y495 AromaticContact CE1-CD2 3.25Å; Y455-Y495 HydrophobicContact CE1-CD2 3.25Å; Y455-Y495 AromaticContact CE1-CE2 3.7Å; Y455-Y495 HydrophobicContact CE1-CE2 3.7Å; Y455-Y495 AromaticContact CE1-CG 3.63Å; Y455-Y495 HydrophobicContact CE1-CG 3.63Å; Y455-Y495 HydrophobicContact CE2-CD2 4.38Å; Y455-Y495 HydrophobicContact CG-CD2 4.35Å; Y455-Y495 AromaticContact CZ-CD2 3.66Å; Y455-Y495 AromaticContact CZ-CE2 3.78Å; I456-Y495 PolarHBondContact N-O 2.81Å; R493-Y495 HydrophobicContact CB-CD2 4.49Å; R493-Y495 HydrophobicContact CB-CE2 3.67Å; Y495-Y535 CarbonylContact C-O 3.54Å; Y495-Y535 WeakPolarHBondContact CA-O 3.36Å; Y495-Y535 AromaticContact CD1-CD2 3.6Å; Y495-Y535 HydrophobicContact CD1-CD2 3.6Å; Y495-Y535 HydrophobicContact CD1-CE2 4.45Å; Y495-Y535 AromaticContact CD1-CG 3.82Å; Y495-Y535 HydrophobicContact CD1-CG 3.82Å; Y495-Y535 AromaticContact CE1-CD2 3.22Å; Y495-Y535 HydrophobicContact CE1-CD2 3.22Å; Y495-Y535 AromaticContact CE1-CE2 3.63Å; Y495-Y535 HydrophobicContact CE1-CE2 3.63Å; Y495-Y535 AromaticContact CE1-CG 3.73Å; Y495-Y535 HydrophobicContact CE1-CG 3.73Å; Y495-Y535 HydrophobicContact CG-CD2 4.39Å; Y495-Y535 AromaticContact CZ-CD2 3.75Å; Y495-Y535 AromaticContact CZ-CE2 3.85Å
496	I	54.2	Low	48.4	Very low	1 Å²	1	38.5 Å²	38.5	1%	0.005	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	113.7	179	-51.8	-179.1	0	0	0	108.2	I456 L483 L486 I494 V498 L523 Y535 I536 T537	I456-I496 HydrophobicContact CB-CG1 4.45Å; I456-I496 HydrophobicContact CB-CG2 4.45Å; I456-I496 HydrophobicContact CD1-CG1 4.31Å; I456-I496 CarbonylContact O-C 3.51Å; I456-I496 WeakPolarHBondContact O-CA 3.48Å; L483-I496 HydrophobicContact CD1-CG2 4Å; L486-I496 HydrophobicContact CD1-CD1 4.01Å; I494-I496 HydrophobicContact CG2-CD1 4.17Å; I494-I496 HydrophobicContact CG2-CG1 3.91Å; I496-V498 HydrophobicContact CG2-CG2 4.25Å; I496-L523 HydrophobicContact CD1-CD2 3.69Å; I496-Y535 PolarHBondContact N-O 2.82Å; I496-I536 HydrophobicContact CB-CG1 4.45Å; I496-I536 HydrophobicContact CD1-CG1 4.43Å; I496-I536 CarbonylContact O-C 3.46Å; I496-I536 WeakPolarHBondContact O-CA 3.38Å; I496-T537 PolarHBondContact O-N 3.25Å
497	T	53.6	Low	47.2	Very low	39 Å²	39	43.3 Å²	43.3	24%	0.239	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	124.4	173.7	-58.6	0	0	0	0	109.9	I456 T457 V458 T537	I456-T497 PolarHBondContact O-N 3.44Å; T457-T497 CarbonylContact C-O 3.57Å; T457-T497 VanDerWaalsContact CA-O 3.31Å; T457-T497 WeakPolarHBondContact CA-O 3.25Å; V458-T497 PolarHBondContact N-O 2.91Å; T497-T537 CarbonylContact C-O 3.54Å; T497-T537 VanDerWaalsContact CA-O 3.29Å; T497-T537 WeakPolarHBondContact CA-O 3.07Å
498	V	52.2	Low	46.3	Very low	30 Å²	30	43.5 Å²	43.5	18%	0.182	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	111.4	175.9	-176.5	0	0	0	0	108.5	V458 I496 T537 M538 N539	V458-V498 HydrophobicContact CB-CG1 4.43Å; V458-V498 HydrophobicContact CB-CG2 4.42Å; V458-V498 CarbonylContact O-C 3.58Å; V458-V498 WeakPolarHBondContact O-CA 3.43Å; I496-V498 HydrophobicContact CG2-CG2 4.25Å; V498-T537 PolarHBondContact N-O 2.9Å; V498-M538 HydrophobicContact CB-CG 4.3Å; V498-M538 CarbonylContact O-C 3.53Å; V498-M538 WeakPolarHBondContact O-CA 3.22Å; V498-N539 PolarHBondContact O-N 3.26Å
499	N	49	Very low	45.5	Very low	38 Å²	38	53.1 Å²	53.1	20%	0.203	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	129.1	178.3	-60.5	-43.7	0	0	0	110	V458 N459 S460 N539	V458-N499 PolarHBondContact O-N 2.88Å; N459-N499 WeakPolarHBondContact OD1-CB 3.33Å; N459-N499 PolarHBondContact OD1-ND2 2.96Å; S460-N499 PolarHBondContact N-O 2.86Å; S460-N499 PolarHBondContact OG-O 3.45Å; N499-N539 WeakPolarHBondContact OD1-CB 3.43Å; N499-N539 PolarHBondContact OD1-ND2 3.37Å
500	S	49	Very low	44.5	Very low	12 Å²	12	56.1 Å²	56.1	8%	0.084	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	110.4	175.1	56	0	0	0	0	110.4	S460 N539 S540 S541	S460-S500 WeakPolarHBondContact O-CA 3.29Å; S460-S500 WeakPolarHBondContact OG-CA 3.38Å; S460-S500 WeakPolarHBondContact OG-CB 3.24Å; S500-N539 PolarHBondContact N-O 2.76Å; S500-N539 PolarHBondContact OG-O 2.83Å; S500-S540 CarbonylContact O-C 3.52Å; S500-S540 VanDerWaalsContact O-CA 3.3Å; S500-S540 WeakPolarHBondContact O-CA 3.28Å; S500-S540 WeakPolarHBondContact OG-CA 3.04Å; S500-S540 WeakPolarHBondContact OG-CB 3.35Å; S500-S541 PolarHBondContact O-N 2.91Å
501	D	46.4	Very low	43.1	Very low	86 Å²	86	56 Å²	56	46%	0.46	27%	0.271	S	S	.	.	P	Polyproline II helix	trans	-97	138.9	-177.7	-78.5	-27.9	0	0	0	113.8	S460 G462 S541	S460-D501 PolarHBondContact O-N 3.3Å; G462-D501 VanDerWaalsContact CA-O 3.32Å; G462-D501 WeakPolarHBondContact CA-O 3.03Å; G462-D501 PolarHBondContact N-O 2.98Å; D501-S541 VanDerWaalsContact CA-OG 3.25Å; D501-S541 WeakPolarHBondContact CA-OG 3.07Å; D501-S541 PolarHBondContact OD1-OG 2.94Å
502	G	42.1	Very low	42	Very low	20 Å²	20	55.8 Å²	55.8	21%	0.206	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-77.7	138	170.9	0	0	0	0	0	111	S504 S541	G502-S504 PolarHBondContact O-N 2.91Å; G502-S541 PolarHBondContact N-O 2.84Å; G502-S541 PolarHBondContact N-OG 3.2Å; G502-S541 VanDerWaalsContact N-OG 3.11Å
503	S	38.4	Very low	40.6	Very low	30 Å²	30	59.6 Å²	59.6	21%	0.21	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-61.4	131.6	179.1	0.7	0	0	0	0	111.3	S463 P543 N544	S463-S503 WeakPolarHBondContact O-CA 3.24Å; S463-S503 WeakPolarHBondContact O-CB 3.42Å; S503-P543 WeakPolarHBondContact O-CA 3.1Å; S503-P543 WeakPolarHBondContact O-CB 3.18Å; S503-N544 PolarHBondContact O-N 2.92Å
504	S	32.8	Very low	39	Very low	25 Å²	25	61.5 Å²	61.5	18%	0.175	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-95.8	130.6	171	61.3	0	0	0	0	111.3	S463 S464 S465 G502 N544	S463-S504 PolarHBondContact O-N 3.02Å; S464-S504 CarbonylContact C-O 3.47Å; S464-S504 VanDerWaalsContact CA-OG 3.31Å; S464-S504 WeakPolarHBondContact CA-OG 3.3Å; S464-S504 VanDerWaalsContact CB-OG 3.23Å; S464-S504 WeakPolarHBondContact CB-OG 3.3Å; S465-S504 PolarHBondContact N-O 3.17Å; S465-S504 PolarHBondContact OG-O 3.14Å; G502-S504 PolarHBondContact O-N 2.91Å; S504-N544 CarbonylContact C-O 3.47Å; S504-N544 VanDerWaalsContact CA-O 3.27Å; S504-N544 WeakPolarHBondContact CA-O 2.87Å
505	S	30.6	Very low	37.6	Very low	27 Å²	27	63.7 Å²	63.7	19%	0.189	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	120.5	178.4	67.2	0	0	0	0	111.2	N544 H546 H547	S505-N544 PolarHBondContact N-O 3.39Å; S505-H546 PolarHBondContact O-N 3.11Å; S505-H547 PolarHBondContact OG-NE2 3.3Å; S505-H547 VanDerWaalsContact OG-NE2 3.09Å
506	Y	26.7	Very low	36.2	Very low	62 Å²	62	62.9 Å²	62.9	24%	0.243	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	115.3	170.3	-74.7	-90.9	0	0	0	109.4	S465 Y466 H467 H546	S465-Y506 PolarHBondContact O-N 3.16Å; S465-Y506 VanDerWaalsContact O-N 3.09Å; Y466-Y506 HydrophobicContact CD1-CD2 4.14Å; Y466-Y506 HydrophobicContact CD1-CG 4.24Å; Y466-Y506 AromaticContact CE1-CD2 3.8Å; Y466-Y506 HydrophobicContact CE1-CD2 3.8Å; Y466-Y506 HydrophobicContact CE1-CE2 4Å; Y466-Y506 HydrophobicContact CE1-CG 4.1Å; Y466-Y506 AromaticContact CZ-CE2 3.99Å; H467-Y506 PolarHBondContact N-O 2.99Å; Y506-H546 HydrophobicContact CD1-CB 3.86Å; Y506-H546 AromaticContact CD1-CD2 3.84Å; Y506-H546 AromaticContact CD1-CG 3.97Å; Y506-H546 HydrophobicContact CE1-CB 3.91Å; Y506-H546 AromaticContact CE1-CD2 3.04Å; Y506-H546 WeakPolarHBondContact CE1-CD2 3.4Å; Y506-H546 AromaticContact CE1-CG 3.48Å; Y506-H546 VanDerWaalsContact CE1-CG 3.48Å; Y506-H546 AromaticContact CE1-NE2 3.6Å; Y506-H546 AromaticContact CZ-CD2 3.37Å; Y506-H546 AromaticContact CZ-NE2 3.7Å; Y506-H546 PolarHBondContact OH-CD2 3.4Å; Y506-H546 PolarHBondContact OH-NE2 3.39Å
507	H	27.6	Very low	35.2	Very low	102 Å²	102	64.9 Å²	64.9	47%	0.472	33%	0.33	S	S	.	.			trans	57.6	117.2	173	-82.7	-47.5	0	0	0	118.5	N468	N468-H507 PolarHBondContact N-O 3.32Å
508	N	30.2	Very low	34.3	Very low	50 Å²	50	69.2 Å²	69.2	27%	0.267	34%	0.342	S	S	.	.				166.9	165.2	113.9	-126.1	-41.5	0	0	0	113.6	N468 F471 Y510	N468-N508 WeakPolarHBondContact O-CB 3.31Å; F471-N508 HydrophobicContact CE2-CB 4.43Å; N508-Y510 VanDerWaalsContact C-N 3.35Å; N508-Y510 PolarHBondContact O-N 3Å
509	R	31.3	Very low	33.6	Very low	208 Å²	208	72.6 Å²	72.6	79%	0.785	35%	0.354	S	S	*	.	S	Bend	trans	-59.7	4.3	-163.2	-75.8	-177.6	-100.5	-174.5	-7.7	120.9
510	Y	28.5	Very low	33.3	Very low	154 Å²	154	73.6 Å²	73.6	60%	0.604	36%	0.355	S	S	*	.			trans	-130.9	115.1	-179.8	-65.7	-76	0	0	0	112.6	F471 N508	F471-Y510 WeakPolarHBondContact CB-O 3.29Å; F471-Y510 WeakPolarHBondContact CD2-O 3.44Å; N508-Y510 VanDerWaalsContact C-N 3.35Å; N508-Y510 PolarHBondContact O-N 3Å
511	F	26.6	Very low	32.9	Very low	67 Å²	67	74.1 Å²	74.1	29%	0.294	36%	0.362	S	S	.	.			trans	-86.4	148.3	-168.6	-71.1	-83.9	0	0	0	115.2	H547 P549 P553	F511-H547 AromaticContact CE1-ND1 3.82Å; F511-P549 HydrophobicContact CE1-CB 4.44Å; F511-P549 HydrophobicContact CE2-CB 4.26Å; F511-P549 HydrophobicContact CZ-CB 3.64Å; F511-P553 HydrophobicContact CB-CG 4.36Å; F511-P553 HydrophobicContact CD1-CG 3.86Å; F511-P553 HydrophobicContact CG-CG 4.32Å
512	P	27.8	Very low	32.6	Very low	29 Å²	29	71.8 Å²	71.8	19%	0.188	35%	0.353	C	S	.	.			trans	-69.1	121.5	149.8	-9.8	25.6	0	0	0	111.6	F471 S472 T473 R514	F471-P512 HydrophobicContact CB-CG 4.06Å; S472-P512 WeakPolarHBondContact O-CB 3.37Å; S472-P512 VanDerWaalsContact O-CG 3.29Å; S472-P512 WeakPolarHBondContact O-CG 3.34Å; T473-P512 WeakPolarHBondContact O-CA 3.36Å; P512-R514 VanDerWaalsContact C-N 3.32Å; P512-R514 PolarHBondContact O-N 3.21Å
513	T	28.6	Very low	32.7	Very low	82 Å²	82	71.6 Å²	71.6	50%	0.503	35%	0.347	S	S	.	.	S	Bend	trans	-72.4	-20.9	-177.7	20.5	0	0	0	0	113.6	T473	T473-T513 PolarHBondContact O-N 3.05Å
514	R	28.2	Very low	32.9	Very low	170 Å²	170	71.8 Å²	71.8	64%	0.642	35%	0.348	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-153	118.4	178.5	-64.8	-172.3	-179.1	177.5	-0.7	113	P512	P512-R514 VanDerWaalsContact C-N 3.32Å; P512-R514 PolarHBondContact O-N 3.21Å
515	L	26.2	Very low	33.3	Very low	48 Å²	48	72 Å²	72	25%	0.251	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	124.3	161.3	-66.2	174.2	0	0	0	108	F475 L555	F475-L515 HydrophobicContact CB-CD2 3.86Å; F475-L515 HydrophobicContact CD2-CD2 3.82Å; F475-L515 HydrophobicContact CG-CD2 4.26Å; L515-L555 HydrophobicContact CD1-CD2 3.94Å
516	S	31.1	Very low	34.2	Very low	41 Å²	41	70.8 Å²	70.8	29%	0.287	35%	0.346	S	S	.	.			trans	-147.5	109.7	175.2	68.4	0	0	0	0	112.1	F475 S476	F475-S516 PolarHBondContact O-N 2.96Å; F475-S516 VanDerWaalsContact O-N 3.17Å; S476-S516 VanDerWaalsContact CA-O 3.3Å; S476-S516 WeakPolarHBondContact CA-O 3.33Å
517	G	31.6	Very low	35.2	Very low	43 Å²	43	70 Å²	70	44%	0.443	35%	0.349	S	S	.	.			trans	-99.9	139.8	169.5	0	0	0	0	0	111.2	R558	G517-R558 PolarHBondContact O-N 2.86Å
518	R	36	Very low	36.2	Very low	129 Å²	129	65.5 Å²	65.5	49%	0.487	33%	0.331	S	S	.	.	B	Isolated β-bridge	trans	-128.9	127.5	177.1	-63.4	-174.7	-177.2	-163.5	0.4	111	G477 R478	G477-R518 PolarHBondContact O-N 3.44Å; R478-R518 CarbonylContact C-O 3.54Å; R478-R518 WeakPolarHBondContact CA-O 3.38Å
519	K	37.9	Very low	37.1	Very low	102 Å²	102	67.3 Å²	67.3	44%	0.443	34%	0.337	S	S	.	.			trans	64.4	106.9	159.4	-159.6	167	-173.5	179.7	0	117.8	Y480 N560	Y480-K519 WeakPolarHBondContact CD2-O 3.29Å; Y480-K519 PolarHBondContact N-O 3.06Å; K519-N560 CarbonylContact C-O 3.54Å; K519-N560 WeakPolarHBondContact CA-O 3.26Å; K519-N560 HydrophobicContact CB-CB 4.34Å; K519-N560 HydrophobicContact CG-CB 4.02Å
520	Y	41.9	Very low	38.2	Very low	59 Å²	59	61.1 Å²	61.1	23%	0.231	32%	0.32	C	S	.	.			trans	-67.1	158	164	-58.8	-86.4	0	0	0	111.5	Y480 R559 N560	Y480-Y520 HydrophobicContact CD2-CD1 4.25Å; Y480-Y520 HydrophobicContact CE2-CD1 4.35Å; Y480-Y520 HydrophobicContact CE2-CE1 4.47Å; Y520-R559 HydrophobicContact CD2-CB 4.23Å; Y520-R559 HydrophobicContact CE2-CB 3.56Å; Y520-R559 HydrophobicContact CE2-CG 3.75Å; Y520-N560 CarbonylContact C-O 3.55Å; Y520-N560 VanDerWaalsContact CA-O 3.29Å; Y520-N560 WeakPolarHBondContact CA-O 3.39Å; Y520-N560 VanDerWaalsContact CB-O 3.28Å; Y520-N560 WeakPolarHBondContact CB-O 3.05Å; Y520-N560 PolarHBondContact N-O 2.86Å
521	G	39.9	Very low	39.4	Very low	22 Å²	22	55.6 Å²	55.6	23%	0.227	31%	0.31	C	S	.	.			trans	-59.4	164.2	-169.4	0	0	0	0	0	114.4	G481	G481-G521 WeakPolarHBondContact O-CA 3.11Å
522	S	40.8	Very low	40.9	Very low	37 Å²	37	52.5 Å²	52.5	26%	0.259	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	115.6	170.3	49.9	0	0	0	0	109.5	S482 L483 S562	S482-S522 CarbonylContact C-O 3.54Å; S482-S522 WeakPolarHBondContact CA-O 3.42Å; S482-S522 VanDerWaalsContact CB-O 3.29Å; S482-S522 WeakPolarHBondContact CB-O 3.31Å; S482-S522 WeakPolarHBondContact CB-OG 3.26Å; L483-S522 PolarHBondContact N-O 2.84Å; L483-S522 VanDerWaalsContact N-O 3.08Å; S522-S562 WeakPolarHBondContact CA-O 3.49Å; S522-S562 WeakPolarHBondContact CB-OG 3.47Å
523	L	44	Very low	42.4	Very low	16 Å²	16	52.4 Å²	52.4	8%	0.084	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	123.6	172.9	-88.2	133.9	0	0	0	107.4	L483 I496 I536 S562 L563 S564	L483-L523 HydrophobicContact CB-CD2 3.57Å; L483-L523 HydrophobicContact CB-CG 3.91Å; L483-L523 HydrophobicContact CD1-CD2 3.7Å; L483-L523 HydrophobicContact CD1-CG 4.1Å; L483-L523 HydrophobicContact CG-CD2 4.25Å; L483-L523 CarbonylContact O-C 3.54Å; L483-L523 WeakPolarHBondContact O-CA 3.05Å; I496-L523 HydrophobicContact CD1-CD2 3.69Å; L523-I536 HydrophobicContact CD1-CG2 4.41Å; L523-S562 PolarHBondContact N-O 2.78Å; L523-L563 HydrophobicContact CB-CD1 3.3Å; L523-L563 HydrophobicContact CD1-CD1 4.28Å; L523-L563 HydrophobicContact CG-CD1 4.29Å; L523-L563 CarbonylContact O-C 3.57Å; L523-L563 WeakPolarHBondContact O-CA 3.29Å; L523-S564 PolarHBondContact O-N 2.78Å
524	S	42.2	Very low	43.8	Very low	34 Å²	34	48.6 Å²	48.6	24%	0.238	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	139	-176.5	60.5	0	0	0	0	117.1	L483 S484 G485 S564	L483-S524 PolarHBondContact O-N 2.85Å; S484-S524 CarbonylContact C-O 3.55Å; S484-S524 WeakPolarHBondContact CA-O 3.27Å; S484-S524 WeakPolarHBondContact CB-O 3.27Å; G485-S524 PolarHBondContact N-O 3.03Å; S524-S564 CarbonylContact C-O 3.58Å; S524-S564 WeakPolarHBondContact CA-O 3.29Å; S524-S564 WeakPolarHBondContact CB-O 3.17Å
525	G	41.2	Very low	45.3	Very low	29 Å²	29	44 Å²	44	30%	0.299	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	81.6	52.7	-179.6	0	0	0	0	0	111.6	G485 L486 S564 G565	G485-G525 CarbonylContact C-O 3.58Å; G485-G525 WeakPolarHBondContact CA-O 3.49Å; G485-G525 PolarHBondContact N-O 2.77Å; L486-G525 PolarHBondContact N-O 2.82Å; G525-S564 PolarHBondContact N-O 2.8Å; G525-G565 CarbonylContact C-O 3.43Å; G525-G565 WeakPolarHBondContact CA-O 3.43Å; G525-G565 PolarHBondContact N-O 2.81Å
526	L	49.8	Very low	46.6	Very low	2 Å²	2	41.8 Å²	41.8	1%	0.01	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	110.3	162	-49.7	-175.9	0	0	0	104.6	L486 I534 G565 L566 S567	L486-L526 HydrophobicContact CB-CD2 3.52Å; L486-L526 HydrophobicContact CD1-CD2 3.39Å; L486-L526 HydrophobicContact CG-CD2 3.33Å; L486-L526 WeakPolarHBondContact O-CA 2.82Å; L526-I534 HydrophobicContact CB-CD1 4.03Å; L526-I534 HydrophobicContact CD1-CD1 3.66Å; L526-I534 HydrophobicContact CD1-CG2 4.06Å; L526-I534 HydrophobicContact CG-CD1 4.39Å; L526-G565 PolarHBondContact N-O 2.75Å; L526-L566 HydrophobicContact CB-CD2 3.59Å; L526-L566 HydrophobicContact CD1-CD2 3.36Å; L526-L566 HydrophobicContact CG-CD2 3.36Å; L526-L566 WeakPolarHBondContact O-CA 3.17Å; L526-S567 PolarHBondContact O-N 3Å; L526-S567 VanDerWaalsContact O-O 3.14Å
527	S	48.2	Very low	47.7	Very low	46 Å²	46	41.6 Å²	41.6	32%	0.322	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	148.1	175	63.9	0	0	0	0	109.1	L486 S487 G488 S567	L486-S527 PolarHBondContact O-N 3.32Å; S487-S527 VanDerWaalsContact CA-O 3.24Å; S487-S527 WeakPolarHBondContact CA-O 3.26Å; S487-S527 WeakPolarHBondContact CB-OG 3.37Å; G488-S527 PolarHBondContact N-O 3.43Å; S527-S567 VanDerWaalsContact CA-O 3.24Å; S527-S567 WeakPolarHBondContact CA-O 3.23Å
528	G	47.6	Very low	48.7	Very low	8 Å²	8	42.1 Å²	42.1	8%	0.082	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170	147.7	177.2	0	0	0	0	0	114.4	G488 S567 G568 E569 Q572	G488-G528 WeakPolarHBondContact O-CA 3.39Å; G528-S567 PolarHBondContact N-O 2.75Å; G528-G568 WeakPolarHBondContact O-CA 3.45Å; G528-E569 PolarHBondContact O-N 3.2Å; G528-E569 VanDerWaalsContact O-N 3.09Å; G528-Q572 VanDerWaalsContact CA-NE2 3.29Å; G528-Q572 PolarHBondContact O-NE2 3.07Å
529	E	49.8	Very low	49.3	Very low	87 Å²	87	38.2 Å²	38.2	41%	0.407	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	138.6	171.8	-66.5	174.3	-159.6	0	0	109.4	G488 N490 Q532 E569	G488-E529 PolarHBondContact O-N 3.37Å; N490-E529 PolarHBondContact N-O 2.88Å; E529-Q532 VanDerWaalsContact N-NE2 3.14Å; E529-Q532 PolarHBondContact O-NE2 3.17Å; E529-E569 HydrophobicContact CG-CB 4.48Å
530	N	53.8	Low	49.7	Very low	79 Å²	79	34.3 Å²	34.3	42%	0.422	21%	0.206	S	C	.	.	S	Bend	trans	53.1	101.2	167.4	-65.7	-38.3	0	0	0	116.6	G491 Q532 E569	G491-N530 PolarHBondContact N-O 3.34Å; N530-Q532 PolarHBondContact O-N 3.43Å; N530-E569 PolarHBondContact N-O 3.14Å
531	G	53.4	Low	49.9	Very low	37 Å²	37	33.1 Å²	33.1	38%	0.381	21%	0.206	S	C	.	.	S	Bend	trans	74.3	26.2	156.7	0	0	0	0	0	117	N570	G531-N570 PolarHBondContact N-O 2.76Å
532	Q	58.1	Low	50.2	Low	2 Å²	2	32.2 Å²	32.2	1%	0.009	20%	0.197	C	C	.	.			trans	-77.3	142.2	179.7	-66.5	175.7	31.4	0	0	112.7	G488 Q492 E529 N530 Q572 V573	G488-Q532 PolarHBondContact O-NE2 3.29Å; Q492-Q532 HydrophobicContact CB-CG 4.29Å; Q492-Q532 WeakPolarHBondContact O-CA 3.07Å; E529-Q532 VanDerWaalsContact N-NE2 3.14Å; E529-Q532 PolarHBondContact O-NE2 3.17Å; N530-Q532 PolarHBondContact O-N 3.43Å; Q532-Q572 HydrophobicContact CB-CG 4.31Å; Q532-Q572 CarbonylContact O-C 3.54Å; Q532-Q572 WeakPolarHBondContact O-CA 3.27Å; Q532-V573 PolarHBondContact O-N 3.02Å
533	V	60.4	Low	50.3	Low	27 Å²	27	32.3 Å²	32.3	16%	0.164	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	120.5	176.5	-168	0	0	0	0	111	Q492 R493 I494 Y535 V573 Y575	Q492-V533 PolarHBondContact O-N 3.11Å; R493-V533 CarbonylContact C-O 3.48Å; R493-V533 VanDerWaalsContact CA-O 3.25Å; R493-V533 WeakPolarHBondContact CA-O 3.32Å; R493-V533 HydrophobicContact CG-CB 4.41Å; I494-V533 PolarHBondContact N-O 3.48Å; V533-Y535 HydrophobicContact CB-CE2 4.13Å; V533-Y535 HydrophobicContact CG1-CD2 4.09Å; V533-Y535 HydrophobicContact CG1-CE1 4.41Å; V533-Y535 HydrophobicContact CG1-CE2 3.32Å; V533-V573 CarbonylContact C-O 3.54Å; V533-V573 VanDerWaalsContact CA-O 3.26Å; V533-V573 WeakPolarHBondContact CA-O 3.48Å; V533-V573 HydrophobicContact CG1-CB 4.36Å; V533-V573 HydrophobicContact CG2-CB 4.49Å; V533-Y575 HydrophobicContact CG1-CD2 3.96Å; V533-Y575 HydrophobicContact CG1-CE2 3.79Å
534	I	57.3	Low	50.1	Low	2 Å²	2	34.3 Å²	34.3	1%	0.01	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	124	-176.8	-53.4	179.9	0	0	0	109.4	I494 L526 I536 V573 I574 Y575	I494-I534 HydrophobicContact CB-CG1 4.45Å; I494-I534 HydrophobicContact CB-CG2 4.35Å; I494-I534 CarbonylContact O-C 3.55Å; I494-I534 WeakPolarHBondContact O-CA 3.49Å; L526-I534 HydrophobicContact CB-CD1 4.03Å; L526-I534 HydrophobicContact CD1-CD1 3.66Å; L526-I534 HydrophobicContact CD1-CG2 4.06Å; L526-I534 HydrophobicContact CG-CD1 4.39Å; I534-I536 HydrophobicContact CG2-CD1 4.26Å; I534-I536 HydrophobicContact CG2-CG1 3.98Å; I534-V573 PolarHBondContact N-O 2.87Å; I534-I574 HydrophobicContact CB-CG1 4.28Å; I534-I574 HydrophobicContact CB-CG2 4.44Å; I534-I574 HydrophobicContact CD1-CG1 4.4Å; I534-I574 CarbonylContact O-C 3.48Å; I534-I574 WeakPolarHBondContact O-CA 3.29Å; I534-Y575 PolarHBondContact O-N 3.18Å
535	Y	59.5	Low	50	Low	73 Å²	73	33.5 Å²	33.5	29%	0.286	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	121.5	175	-61.4	-90.6	0	0	0	109.9	I494 Y495 I496 V533 Y575	I494-Y535 PolarHBondContact O-N 3.08Å; Y495-Y535 CarbonylContact C-O 3.54Å; Y495-Y535 WeakPolarHBondContact CA-O 3.36Å; Y495-Y535 AromaticContact CD1-CD2 3.6Å; Y495-Y535 HydrophobicContact CD1-CD2 3.6Å; Y495-Y535 HydrophobicContact CD1-CE2 4.45Å; Y495-Y535 AromaticContact CD1-CG 3.82Å; Y495-Y535 HydrophobicContact CD1-CG 3.82Å; Y495-Y535 AromaticContact CE1-CD2 3.22Å; Y495-Y535 HydrophobicContact CE1-CD2 3.22Å; Y495-Y535 AromaticContact CE1-CE2 3.63Å; Y495-Y535 HydrophobicContact CE1-CE2 3.63Å; Y495-Y535 AromaticContact CE1-CG 3.73Å; Y495-Y535 HydrophobicContact CE1-CG 3.73Å; Y495-Y535 HydrophobicContact CG-CD2 4.39Å; Y495-Y535 AromaticContact CZ-CD2 3.75Å; Y495-Y535 AromaticContact CZ-CE2 3.85Å; I496-Y535 PolarHBondContact N-O 2.82Å; V533-Y535 HydrophobicContact CB-CE2 4.13Å; V533-Y535 HydrophobicContact CG1-CD2 4.09Å; V533-Y535 HydrophobicContact CG1-CE1 4.41Å; V533-Y535 HydrophobicContact CG1-CE2 3.32Å; Y535-Y575 CarbonylContact C-O 3.59Å; Y535-Y575 WeakPolarHBondContact CA-O 3.41Å; Y535-Y575 AromaticContact CD1-CD2 3.67Å; Y535-Y575 HydrophobicContact CD1-CD2 3.67Å; Y535-Y575 AromaticContact CD1-CG 3.87Å; Y535-Y575 HydrophobicContact CD1-CG 3.87Å; Y535-Y575 AromaticContact CE1-CD2 3.29Å; Y535-Y575 HydrophobicContact CE1-CD2 3.29Å; Y535-Y575 AromaticContact CE1-CE2 3.77Å; Y535-Y575 HydrophobicContact CE1-CE2 3.77Å; Y535-Y575 AromaticContact CE1-CG 3.77Å; Y535-Y575 HydrophobicContact CE1-CG 3.77Å; Y535-Y575 HydrophobicContact CG-CD2 4.45Å; Y535-Y575 AromaticContact CZ-CD2 3.8Å; Y535-Y575 AromaticContact CZ-CE2 3.97Å
536	I	54.9	Low	49.7	Very low	2 Å²	2	35.1 Å²	35.1	1%	0.01	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	113.9	177.4	-53.8	178.1	0	0	0	108.2	I496 L523 I534 M538 L563 Y575 I576 T577	I496-I536 HydrophobicContact CB-CG1 4.45Å; I496-I536 HydrophobicContact CD1-CG1 4.43Å; I496-I536 CarbonylContact O-C 3.46Å; I496-I536 WeakPolarHBondContact O-CA 3.38Å; L523-I536 HydrophobicContact CD1-CG2 4.41Å; I534-I536 HydrophobicContact CG2-CD1 4.26Å; I534-I536 HydrophobicContact CG2-CG1 3.98Å; I536-M538 HydrophobicContact CG2-CE 4.42Å; I536-M538 HydrophobicContact CG2-CG 4.42Å; I536-L563 HydrophobicContact CD1-CD1 4.28Å; I536-Y575 PolarHBondContact N-O 2.9Å; I536-I576 HydrophobicContact CB-CG1 4.49Å; I536-I576 HydrophobicContact CB-CG2 4.49Å; I536-I576 HydrophobicContact CD1-CG1 4.46Å; I536-I576 CarbonylContact O-C 3.54Å; I536-I576 WeakPolarHBondContact O-CA 3.14Å; I536-T577 PolarHBondContact O-N 2.8Å
537	T	53.9	Low	49.3	Very low	38 Å²	38	36.3 Å²	36.3	23%	0.233	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	123.6	173.6	-59.3	0	0	0	0	110.1	I496 T497 V498 N539 T577	I496-T537 PolarHBondContact O-N 3.25Å; T497-T537 CarbonylContact C-O 3.54Å; T497-T537 VanDerWaalsContact CA-O 3.29Å; T497-T537 WeakPolarHBondContact CA-O 3.07Å; V498-T537 PolarHBondContact N-O 2.9Å; T537-N539 WeakPolarHBondContact CG2-OD1 3.15Å; T537-T577 CarbonylContact C-O 3.56Å; T537-T577 WeakPolarHBondContact CA-O 3.38Å
538	M	52	Low	48.6	Very low	54 Å²	54	40.2 Å²	40.2	27%	0.266	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	111.2	175.1	-69.8	-179.4	-86	0	0	109.3	V498 I536 I576 T577 M578 N579	V498-M538 HydrophobicContact CB-CG 4.3Å; V498-M538 CarbonylContact O-C 3.53Å; V498-M538 WeakPolarHBondContact O-CA 3.22Å; I536-M538 HydrophobicContact CG2-CE 4.42Å; I536-M538 HydrophobicContact CG2-CG 4.42Å; M538-I576 HydrophobicContact CE-CG2 4.14Å; M538-T577 PolarHBondContact N-O 2.94Å; M538-M578 HydrophobicContact CB-CG 4.34Å; M538-M578 HydrophobicContact CE-CG 3.37Å; M538-M578 HydrophobicContact CE-SD 3.82Å; M538-M578 HydrophobicContact SD-CG 4.48Å; M538-N579 PolarHBondContact O-N 2.98Å
539	N	48.9	Very low	48	Very low	47 Å²	47	40.4 Å²	40.4	25%	0.251	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	129.3	178	-60	-42.9	0	0	0	110	V498 N499 S500 T537 N579	V498-N539 PolarHBondContact O-N 3.26Å; N499-N539 WeakPolarHBondContact OD1-CB 3.43Å; N499-N539 PolarHBondContact OD1-ND2 3.37Å; S500-N539 PolarHBondContact N-O 2.76Å; S500-N539 PolarHBondContact OG-O 2.83Å; T537-N539 WeakPolarHBondContact CG2-OD1 3.15Å; N539-N579 WeakPolarHBondContact OD1-CB 3.35Å; N539-N579 PolarHBondContact OD1-ND2 3.5Å
540	S	46.5	Very low	47.4	Very low	20 Å²	20	44.7 Å²	44.7	14%	0.14	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	105.8	-179.4	56.9	0	0	0	0	112.1	S500 R559 N579 S580 S581	S500-S540 CarbonylContact O-C 3.52Å; S500-S540 VanDerWaalsContact O-CA 3.3Å; S500-S540 WeakPolarHBondContact O-CA 3.28Å; S500-S540 WeakPolarHBondContact OG-CA 3.04Å; S500-S540 WeakPolarHBondContact OG-CB 3.35Å; S540-R559 PolarHBondContact O-NH1 2.91Å; S540-R559 PolarHBondContact OG-NH1 3.08Å; S540-N579 PolarHBondContact N-O 3.03Å; S540-N579 PolarHBondContact OG-O 2.86Å; S540-N579 VanDerWaalsContact OG-O 3.06Å; S540-S580 WeakPolarHBondContact O-CA 3.33Å; S540-S580 WeakPolarHBondContact OG-CB 3.37Å; S540-S581 PolarHBondContact O-N 2.87Å
541	S	46.4	Very low	46.3	Very low	33 Å²	33	45.4 Å²	45.4	23%	0.231	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-92.2	147.4	179.6	71.2	0	0	0	0	112.9	S500 D501 G502 S581	S500-S541 PolarHBondContact O-N 2.91Å; D501-S541 VanDerWaalsContact CA-OG 3.25Å; D501-S541 WeakPolarHBondContact CA-OG 3.07Å; D501-S541 PolarHBondContact OD1-OG 2.94Å; G502-S541 PolarHBondContact N-O 2.84Å; G502-S541 PolarHBondContact N-OG 3.2Å; G502-S541 VanDerWaalsContact N-OG 3.11Å; S541-S581 VanDerWaalsContact CA-OG 3.29Å; S541-S581 WeakPolarHBondContact CA-OG 3.49Å; S541-S581 WeakPolarHBondContact CB-OG 3.29Å
542	G	45.2	Very low	45.5	Very low	4 Å²	4	44.6 Å²	44.6	4%	0.041	24%	0.241	C	C	.	.	P	Polyproline II helix	trans	-80.4	156.9	173.2	0	0	0	0	0	111.8	S581	G542-S581 PolarHBondContact N-O 3.38Å; G542-S581 VanDerWaalsContact N-O 3.11Å
543	P	43.5	Very low	44.2	Very low	39 Å²	39	46 Å²	46	25%	0.253	25%	0.25	S	C	.	.	P	Polyproline II helix	trans	-65.4	134	173.5	26.6	-33.4	0	0	0	111.2	S503 P583	S503-P543 WeakPolarHBondContact O-CA 3.1Å; S503-P543 WeakPolarHBondContact O-CB 3.18Å; P543-P583 HydrophobicContact CG-CB 4.12Å; P543-P583 WeakPolarHBondContact O-CA 3.19Å; P543-P583 WeakPolarHBondContact O-CB 3.25Å
544	N	40.1	Very low	42.9	Very low	58 Å²	58	48.1 Å²	48.1	31%	0.31	26%	0.264	S	S	.	.	P	Polyproline II helix	trans	-92.7	127.7	172.3	-71.9	-15.8	0	0	0	110.2	S503 S504 S505 N584	S503-N544 PolarHBondContact O-N 2.92Å; S504-N544 CarbonylContact C-O 3.47Å; S504-N544 VanDerWaalsContact CA-O 3.27Å; S504-N544 WeakPolarHBondContact CA-O 2.87Å; S505-N544 PolarHBondContact N-O 3.39Å; N544-N584 CarbonylContact C-O 3.52Å; N544-N584 WeakPolarHBondContact CA-O 3.18Å; N544-N584 VanDerWaalsContact OD1-CB 3.3Å; N544-N584 WeakPolarHBondContact OD1-CB 3.33Å; N544-N584 PolarHBondContact OD1-N 3.24Å; N544-N584 VanDerWaalsContact OD1-N 3.16Å
545	S	39.3	Very low	41.6	Very low	17 Å²	17	50.3 Å²	50.3	12%	0.119	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	117.9	-175.8	71.7	0	0	0	0	111.9	N584 S585 H586	S545-N584 PolarHBondContact N-O 2.82Å; S545-S585 VanDerWaalsContact O-CA 3.28Å; S545-S585 WeakPolarHBondContact O-CA 3.29Å; S545-H586 PolarHBondContact O-N 2.77Å
546	H	35.7	Very low	40.4	Very low	62 Å²	62	49.4 Å²	49.4	29%	0.287	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	109.4	168.7	-69.5	-106.9	0	0	0	108.4	S505 Y506 H586	S505-H546 PolarHBondContact O-N 3.11Å; Y506-H546 HydrophobicContact CD1-CB 3.86Å; Y506-H546 AromaticContact CD1-CD2 3.84Å; Y506-H546 AromaticContact CD1-CG 3.97Å; Y506-H546 HydrophobicContact CE1-CB 3.91Å; Y506-H546 AromaticContact CE1-CD2 3.04Å; Y506-H546 WeakPolarHBondContact CE1-CD2 3.4Å; Y506-H546 AromaticContact CE1-CG 3.48Å; Y506-H546 VanDerWaalsContact CE1-CG 3.48Å; Y506-H546 AromaticContact CE1-NE2 3.6Å; Y506-H546 AromaticContact CZ-CD2 3.37Å; Y506-H546 AromaticContact CZ-NE2 3.7Å; Y506-H546 PolarHBondContact OH-CD2 3.4Å; Y506-H546 PolarHBondContact OH-NE2 3.39Å; H546-H586 AromaticContact CE1-CD2 3.02Å; H546-H586 PolarHBondContact CE1-CD2 2.85Å; H546-H586 AromaticContact CE1-CG 3.73Å; H546-H586 AromaticContact CE1-NE2 3.54Å; H546-H586 AromaticContact ND1-CD2 3.36Å; H546-H586 PolarHBondContact ND1-CD2 2.93Å; H546-H586 AromaticContact ND1-CG 3.63Å; H546-H586 AromaticContact NE2-CD2 3.72Å
547	H	41.1	Very low	39.4	Very low	27 Å²	27	50.9 Å²	50.9	13%	0.125	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	142.3	-173.1	-80.6	-99.2	0	0	0	113.8	S505 F511 P549 H586	S505-H547 PolarHBondContact OG-NE2 3.3Å; S505-H547 VanDerWaalsContact OG-NE2 3.09Å; F511-H547 AromaticContact CE1-ND1 3.82Å; H547-P549 HydrophobicContact CB-CG 4.32Å; H547-P549 WeakPolarHBondContact O-CD 3.37Å; H547-H586 PolarHBondContact N-O 3Å; H547-H586 VanDerWaalsContact N-O 3.15Å
548	L	34.3	Very low	38.7	Very low	129 Å²	129	54.7 Å²	54.7	68%	0.675	31%	0.306	S	S	*	.			trans	-106.5	92	158.4	-80.5	156.6	0	0	0	108.6	L588	L548-L588 HydrophobicContact CD2-CB 3.51Å; L548-L588 HydrophobicContact CD2-CD1 3.88Å; L548-L588 HydrophobicContact CD2-CG 4.35Å; L548-L588 HydrophobicContact CG-CB 4.49Å
549	P	34.4	Very low	38.3	Very low	11 Å²	11	55.1 Å²	55.1	7%	0.071	30%	0.304	C	S	.	.			trans	-111.2	145.5	171.9	34.8	-22.5	0	0	0	112.5	F511 H547 S551 P552 P589	F511-P549 HydrophobicContact CE1-CB 4.44Å; F511-P549 HydrophobicContact CE2-CB 4.26Å; F511-P549 HydrophobicContact CZ-CB 3.64Å; H547-P549 HydrophobicContact CB-CG 4.32Å; H547-P549 WeakPolarHBondContact O-CD 3.37Å; P549-S551 VanDerWaalsContact C-N 3.26Å; P549-P552 HydrophobicContact CG-CB 4.07Å; P549-P589 HydrophobicContact CG-CB 4.21Å; P549-P589 WeakPolarHBondContact O-CB 2.9Å
550	F	36.9	Very low	38	Very low	178 Å²	178	54.5 Å²	54.5	78%	0.781	30%	0.301	S	S	*	.	S	Bend	trans	-72.2	-17.2	163.1	-81	-84.2	0	0	0	112.7
551	S	31.7	Very low	37.7	Very low	94 Å²	94	54.9 Å²	54.9	66%	0.657	31%	0.308	S	S	*	.	S	Bend	trans	-158.8	108.8	172.8	-43.2	0	0	0	0	112.3	P549	P549-S551 VanDerWaalsContact C-N 3.26Å
552	P	35.7	Very low	37.5	Very low	20 Å²	20	54.4 Å²	54.4	13%	0.13	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-82	141.6	179.6	29.7	-31.7	0	0	0	112.9	P549 P589 S591 P593	P549-P552 HydrophobicContact CG-CB 4.07Å; P552-P589 HydrophobicContact CG-CB 4.44Å; P552-S591 VanDerWaalsContact CD-O 3.23Å; P552-S591 WeakPolarHBondContact CD-O 3.17Å; P552-S591 VanDerWaalsContact CG-O 3.24Å; P552-S591 WeakPolarHBondContact CG-O 3.19Å; P552-P593 HydrophobicContact CB-CB 3.81Å; P552-P593 HydrophobicContact CB-CG 3.79Å; P552-P593 HydrophobicContact CG-CB 3.79Å; P552-P593 VanDerWaalsContact CG-CD 3.42Å; P552-P593 HydrophobicContact CG-CG 3.84Å
553	P	31.8	Very low	37.5	Very low	31 Å²	31	55 Å²	55	20%	0.201	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-75.8	151.4	179.6	28.5	-33.2	0	0	0	113.2	F511 L555 P593	F511-P553 HydrophobicContact CB-CG 4.36Å; F511-P553 HydrophobicContact CD1-CG 3.86Å; F511-P553 HydrophobicContact CG-CG 4.32Å; P553-L555 PolarHBondContact O-N 3.13Å; P553-P593 WeakPolarHBondContact O-CB 3.25Å
554	P	32.9	Very low	37.5	Very low	71 Å²	71	54.7 Å²	54.7	46%	0.461	31%	0.306	S	S	.	.	P	Polyproline II helix	trans	-67.1	126.2	178.5	24.7	-32	0	0	0	112.3	P594	P554-P594 HydrophobicContact CB-CG 4.26Å
555	L	30	Very low	37.7	Very low	48 Å²	48	53.4 Å²	53.4	25%	0.251	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	122.6	175.5	-60.9	177.7	0	0	0	109.7	L515 P553 L595 S596	L515-L555 HydrophobicContact CD1-CD2 3.94Å; P553-L555 PolarHBondContact O-N 3.13Å; L555-L595 HydrophobicContact CB-CD2 3.76Å; L555-L595 HydrophobicContact CD1-CD2 3.72Å; L555-L595 HydrophobicContact CG-CD2 4.08Å; L555-S596 PolarHBondContact O-N 3.19Å; L555-S596 VanDerWaalsContact O-N 3.09Å
556	S	32.9	Very low	38.2	Very low	54 Å²	54	52.6 Å²	52.6	38%	0.378	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	129.4	177.4	72.5	0	0	0	0	113.6	S596	S556-S596 VanDerWaalsContact CA-O 3.24Å; S556-S596 WeakPolarHBondContact CA-O 2.88Å
557	G	34.8	Very low	38.8	Very low	33 Å²	33	51.9 Å²	51.9	34%	0.34	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	136.3	-179.9	0	0	0	0	0	113.6	S596 G597 R598	G557-S596 PolarHBondContact N-O 2.94Å; G557-G597 VanDerWaalsContact O-CA 3.27Å; G557-G597 WeakPolarHBondContact O-CA 3.15Å; G557-R598 PolarHBondContact O-N 3.46Å; G557-R598 VanDerWaalsContact O-N 3.14Å
558	R	38.3	Very low	39.2	Very low	119 Å²	119	51 Å²	51	45%	0.449	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	106.8	170.6	-68.4	-163.1	-179.4	-159.8	3	110	G517 R598	G517-R558 PolarHBondContact O-N 2.86Å; R558-R598 CarbonylContact C-O 3.56Å; R558-R598 VanDerWaalsContact CA-O 3.27Å; R558-R598 WeakPolarHBondContact CA-O 2.9Å; R558-R598 HydrophobicContact CG-CB 4.23Å
559	R	44.4	Very low	40	Very low	62 Å²	62	49.1 Å²	49.1	23%	0.234	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	104.4	177.6	-60.8	-162.7	-175.1	-171.9	3.8	109	Y520 S540 S580 R598 R599 N600	Y520-R559 HydrophobicContact CD2-CB 4.23Å; Y520-R559 HydrophobicContact CE2-CB 3.56Å; Y520-R559 HydrophobicContact CE2-CG 3.75Å; S540-R559 PolarHBondContact O-NH1 2.91Å; S540-R559 PolarHBondContact OG-NH1 3.08Å; R559-S580 VanDerWaalsContact NH1-CB 3.34Å; R559-R598 PolarHBondContact N-O 3.37Å; R559-R599 HydrophobicContact CB-CG 4.43Å; R559-R599 CarbonylContact O-C 3.55Å; R559-R599 WeakPolarHBondContact O-CA 2.86Å; R559-N600 PolarHBondContact O-N 2.89Å
560	N	41.6	Very low	41	Very low	34 Å²	34	51.8 Å²	51.8	18%	0.182	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	125.6	179.1	-62.1	13.8	0	0	0	112.1	K519 Y520 N600	K519-N560 CarbonylContact C-O 3.54Å; K519-N560 WeakPolarHBondContact CA-O 3.26Å; K519-N560 HydrophobicContact CB-CB 4.34Å; K519-N560 HydrophobicContact CG-CB 4.02Å; Y520-N560 CarbonylContact C-O 3.55Å; Y520-N560 VanDerWaalsContact CA-O 3.29Å; Y520-N560 WeakPolarHBondContact CA-O 3.39Å; Y520-N560 VanDerWaalsContact CB-O 3.28Å; Y520-N560 WeakPolarHBondContact CB-O 3.05Å; Y520-N560 PolarHBondContact N-O 2.86Å; N560-N600 WeakPolarHBondContact CA-O 3.1Å; N560-N600 VanDerWaalsContact CB-O 3.29Å; N560-N600 WeakPolarHBondContact CB-O 3.07Å; N560-N600 PolarHBondContact OD1-N 2.77Å
561	G	41.5	Very low	41.7	Very low	28 Å²	28	45.1 Å²	45.1	29%	0.289	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	148.8	170.2	0	0	0	0	0	109.8	N600 G601 S602	G561-N600 PolarHBondContact N-O 2.79Å; G561-G601 VanDerWaalsContact O-CA 3.28Å; G561-G601 WeakPolarHBondContact O-CA 3.46Å; G561-S602 PolarHBondContact O-N 2.9Å; G561-S602 VanDerWaalsContact O-N 3.08Å
562	S	41.1	Very low	43	Very low	23 Å²	23	40.7 Å²	40.7	16%	0.161	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	121.6	176.3	56.4	0	0	0	0	110.5	S522 L523 S602	S522-S562 WeakPolarHBondContact CA-O 3.49Å; S522-S562 WeakPolarHBondContact CB-OG 3.47Å; L523-S562 PolarHBondContact N-O 2.78Å; S562-S602 CarbonylContact C-O 3.52Å; S562-S602 WeakPolarHBondContact CA-O 3.2Å; S562-S602 VanDerWaalsContact CB-OG 3.27Å; S562-S602 WeakPolarHBondContact CB-OG 3.09Å
563	L	46.2	Very low	44.2	Very low	16 Å²	16	41.2 Å²	41.2	8%	0.084	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	125.8	175.3	-175.2	73.2	0	0	0	107.3	L523 I536 L566 I576 S602 L603 S604	L523-L563 HydrophobicContact CB-CD1 3.3Å; L523-L563 HydrophobicContact CD1-CD1 4.28Å; L523-L563 HydrophobicContact CG-CD1 4.29Å; L523-L563 CarbonylContact O-C 3.57Å; L523-L563 WeakPolarHBondContact O-CA 3.29Å; I536-L563 HydrophobicContact CD1-CD1 4.28Å; L563-L566 HydrophobicContact CD1-CD2 4.43Å; L563-L566 HydrophobicContact CD2-CD1 3.85Å; L563-L566 HydrophobicContact CG-CD1 4.28Å; L563-I576 HydrophobicContact CD2-CD1 3.35Å; L563-S602 PolarHBondContact N-O 2.73Å; L563-L603 HydrophobicContact CB-CD1 3.82Å; L563-L603 HydrophobicContact CB-CG 4.17Å; L563-L603 HydrophobicContact CD2-CD1 3.53Å; L563-L603 HydrophobicContact CD2-CG 4.12Å; L563-L603 HydrophobicContact CG-CD1 4.28Å; L563-L603 CarbonylContact O-C 3.5Å; L563-L603 WeakPolarHBondContact O-CA 3.41Å; L563-S604 PolarHBondContact O-N 2.8Å
564	S	43.5	Very low	45.5	Very low	34 Å²	34	39.8 Å²	39.8	24%	0.238	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	138.6	-177.1	59.7	0	0	0	0	116.8	L523 S524 G525 S604	L523-S564 PolarHBondContact O-N 2.78Å; S524-S564 CarbonylContact C-O 3.58Å; S524-S564 WeakPolarHBondContact CA-O 3.29Å; S524-S564 WeakPolarHBondContact CB-O 3.17Å; G525-S564 PolarHBondContact N-O 2.8Å; S564-S604 CarbonylContact C-O 3.53Å; S564-S604 WeakPolarHBondContact CA-O 3.27Å; S564-S604 WeakPolarHBondContact CB-O 3.28Å; S564-S604 WeakPolarHBondContact CB-OG 2.89Å
565	G	44	Very low	46.8	Very low	30 Å²	30	40.2 Å²	40.2	31%	0.309	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	81.9	56.6	178.2	0	0	0	0	0	112	G525 L526 S604 G605	G525-G565 CarbonylContact C-O 3.43Å; G525-G565 WeakPolarHBondContact CA-O 3.43Å; G525-G565 PolarHBondContact N-O 2.81Å; L526-G565 PolarHBondContact N-O 2.75Å; G565-S604 PolarHBondContact N-O 2.96Å; G565-S604 VanDerWaalsContact N-O 3.13Å; G565-G605 CarbonylContact C-O 3.53Å; G565-G605 WeakPolarHBondContact CA-O 3.29Å; G565-G605 PolarHBondContact N-O 3.26Å
566	L	50.3	Low	48.1	Very low	1 Å²	1	38.1 Å²	38.1	1%	0.005	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	110.1	164.7	-46.2	-177.7	0	0	0	105	L526 L563 I574 G605 L606 S607	L526-L566 HydrophobicContact CB-CD2 3.59Å; L526-L566 HydrophobicContact CD1-CD2 3.36Å; L526-L566 HydrophobicContact CG-CD2 3.36Å; L526-L566 WeakPolarHBondContact O-CA 3.17Å; L563-L566 HydrophobicContact CD1-CD2 4.43Å; L563-L566 HydrophobicContact CD2-CD1 3.85Å; L563-L566 HydrophobicContact CG-CD1 4.28Å; L566-I574 HydrophobicContact CB-CD1 4.24Å; L566-I574 HydrophobicContact CD1-CD1 3.71Å; L566-I574 HydrophobicContact CD1-CG2 4.41Å; L566-G605 PolarHBondContact N-O 3.37Å; L566-L606 HydrophobicContact CB-CD2 3.51Å; L566-L606 HydrophobicContact CD1-CD2 3.3Å; L566-L606 HydrophobicContact CG-CD2 3.34Å; L566-L606 WeakPolarHBondContact O-CA 3.43Å; L566-S607 PolarHBondContact O-N 2.75Å
567	S	48.7	Very low	49.1	Very low	47 Å²	47	37.4 Å²	37.4	33%	0.329	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	141.1	177.5	62.7	0	0	0	0	109.2	L526 S527 G528 S607	L526-S567 PolarHBondContact O-N 3Å; L526-S567 VanDerWaalsContact O-O 3.14Å; S527-S567 VanDerWaalsContact CA-O 3.24Å; S527-S567 WeakPolarHBondContact CA-O 3.23Å; G528-S567 PolarHBondContact N-O 2.75Å; S567-S607 VanDerWaalsContact CA-O 3.27Å; S567-S607 WeakPolarHBondContact CA-O 3.34Å
568	G	48.2	Very low	50	Low	7 Å²	7	38.7 Å²	38.7	7%	0.072	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.3	138.8	-177.4	0	0	0	0	0	114.1	G528 S607 G608 Q612	G528-G568 WeakPolarHBondContact O-CA 3.45Å; G568-S607 PolarHBondContact N-O 2.75Å; G568-G608 WeakPolarHBondContact O-CA 3.3Å; G568-Q612 VanDerWaalsContact CA-NE2 3.3Å; G568-Q612 PolarHBondContact O-NE2 3.25Å
569	E	51.4	Low	50.5	Low	91 Å²	91	35.4 Å²	35.4	43%	0.425	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	120.5	171.7	-68.8	175.6	-159.6	0	0	108	G528 E529 N530	G528-E569 PolarHBondContact O-N 3.2Å; G528-E569 VanDerWaalsContact O-N 3.09Å; E529-E569 HydrophobicContact CG-CB 4.48Å; N530-E569 PolarHBondContact N-O 3.14Å
570	N	54.7	Low	50.6	Low	67 Å²	67	33.2 Å²	33.2	36%	0.358	20%	0.204	S	C	.	.	S	Bend	trans	55.6	114.2	171.2	-58.8	-26.4	0	0	0	118.1	G531 Q572 N610	G531-N570 PolarHBondContact N-O 2.76Å; N570-Q572 PolarHBondContact O-N 2.9Å; N570-N610 WeakPolarHBondContact CA-O 3.42Å; N570-N610 VanDerWaalsContact OD1-CB 3.31Å; N570-N610 WeakPolarHBondContact OD1-CB 3.36Å; N570-N610 PolarHBondContact OD1-ND2 2.74Å; N570-N610 VanDerWaalsContact OD1-ND2 3.09Å
571	G	53.1	Low	50.8	Low	37 Å²	37	33.7 Å²	33.7	38%	0.381	21%	0.21	S	C	.	.			trans	75.1	22.5	157.6	0	0	0	0	0	117.2	N610	G571-N610 PolarHBondContact N-O 2.95Å
572	Q	58.7	Low	51	Low	1 Å²	1	32.7 Å²	32.7	1%	0.005	20%	0.199	C	C	.	.			trans	-73.8	140.9	175	-62.3	-171.6	-0.3	0	0	112.4	G528 Q532 N570 Q612 V613	G528-Q572 VanDerWaalsContact CA-NE2 3.29Å; G528-Q572 PolarHBondContact O-NE2 3.07Å; Q532-Q572 HydrophobicContact CB-CG 4.31Å; Q532-Q572 CarbonylContact O-C 3.54Å; Q532-Q572 WeakPolarHBondContact O-CA 3.27Å; N570-Q572 PolarHBondContact O-N 2.9Å; Q572-Q612 HydrophobicContact CB-CG 4.34Å; Q572-Q612 WeakPolarHBondContact O-CA 3.39Å; Q572-V613 PolarHBondContact O-N 3.35Å
573	V	60.9	Low	51.2	Low	32 Å²	32	33 Å²	33	19%	0.194	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	124.4	175	-171.6	0	0	0	0	111.1	Q532 V533 I534 Y575 V613 Y615	Q532-V573 PolarHBondContact O-N 3.02Å; V533-V573 CarbonylContact C-O 3.54Å; V533-V573 VanDerWaalsContact CA-O 3.26Å; V533-V573 WeakPolarHBondContact CA-O 3.48Å; V533-V573 HydrophobicContact CG1-CB 4.36Å; V533-V573 HydrophobicContact CG2-CB 4.49Å; I534-V573 PolarHBondContact N-O 2.87Å; V573-Y575 HydrophobicContact CB-CE2 4.26Å; V573-Y575 HydrophobicContact CG1-CD2 4.07Å; V573-Y575 HydrophobicContact CG1-CE1 4.47Å; V573-Y575 HydrophobicContact CG1-CE2 3.33Å; V573-V613 CarbonylContact C-O 3.58Å; V573-V613 VanDerWaalsContact CA-O 3.28Å; V573-V613 WeakPolarHBondContact CA-O 3.35Å; V573-V613 HydrophobicContact CG1-CB 4.45Å; V573-Y615 HydrophobicContact CG1-CD2 4.1Å; V573-Y615 HydrophobicContact CG1-CE2 3.97Å
574	I	58.8	Low	51.1	Low	1 Å²	1	35 Å²	35	1%	0.005	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	120	-176.1	-59	160.8	0	0	0	110	I534 L566 I576 V613 I614 Y615	I534-I574 HydrophobicContact CB-CG1 4.28Å; I534-I574 HydrophobicContact CB-CG2 4.44Å; I534-I574 HydrophobicContact CD1-CG1 4.4Å; I534-I574 CarbonylContact O-C 3.48Å; I534-I574 WeakPolarHBondContact O-CA 3.29Å; L566-I574 HydrophobicContact CB-CD1 4.24Å; L566-I574 HydrophobicContact CD1-CD1 3.71Å; L566-I574 HydrophobicContact CD1-CG2 4.41Å; I574-I576 HydrophobicContact CG2-CD1 4.17Å; I574-I576 HydrophobicContact CG2-CG1 3.91Å; I574-V613 PolarHBondContact N-O 2.87Å; I574-I614 HydrophobicContact CB-CG1 4.35Å; I574-I614 HydrophobicContact CB-CG2 4.33Å; I574-I614 HydrophobicContact CD1-CD1 4.36Å; I574-I614 HydrophobicContact CD1-CG1 4.31Å; I574-I614 CarbonylContact O-C 3.57Å; I574-I614 WeakPolarHBondContact O-CA 3.25Å; I574-Y615 PolarHBondContact O-N 2.92Å
575	Y	60.1	Low	51	Low	79 Å²	79	34 Å²	34	31%	0.31	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	124.2	174.8	-62.2	-88.1	0	0	0	110.5	V533 I534 Y535 I536 V573 Y615	V533-Y575 HydrophobicContact CG1-CD2 3.96Å; V533-Y575 HydrophobicContact CG1-CE2 3.79Å; I534-Y575 PolarHBondContact O-N 3.18Å; Y535-Y575 CarbonylContact C-O 3.59Å; Y535-Y575 WeakPolarHBondContact CA-O 3.41Å; Y535-Y575 AromaticContact CD1-CD2 3.67Å; Y535-Y575 HydrophobicContact CD1-CD2 3.67Å; Y535-Y575 AromaticContact CD1-CG 3.87Å; Y535-Y575 HydrophobicContact CD1-CG 3.87Å; Y535-Y575 AromaticContact CE1-CD2 3.29Å; Y535-Y575 HydrophobicContact CE1-CD2 3.29Å; Y535-Y575 AromaticContact CE1-CE2 3.77Å; Y535-Y575 HydrophobicContact CE1-CE2 3.77Å; Y535-Y575 AromaticContact CE1-CG 3.77Å; Y535-Y575 HydrophobicContact CE1-CG 3.77Å; Y535-Y575 HydrophobicContact CG-CD2 4.45Å; Y535-Y575 AromaticContact CZ-CD2 3.8Å; Y535-Y575 AromaticContact CZ-CE2 3.97Å; I536-Y575 PolarHBondContact N-O 2.9Å; V573-Y575 HydrophobicContact CB-CE2 4.26Å; V573-Y575 HydrophobicContact CG1-CD2 4.07Å; V573-Y575 HydrophobicContact CG1-CE1 4.47Å; V573-Y575 HydrophobicContact CG1-CE2 3.33Å; Y575-Y615 CarbonylContact C-O 3.51Å; Y575-Y615 WeakPolarHBondContact CA-O 3.26Å; Y575-Y615 AromaticContact CD1-CD2 3.68Å; Y575-Y615 HydrophobicContact CD1-CD2 3.68Å; Y575-Y615 AromaticContact CD1-CG 3.89Å; Y575-Y615 HydrophobicContact CD1-CG 3.89Å; Y575-Y615 AromaticContact CE1-CD2 3.25Å; Y575-Y615 HydrophobicContact CE1-CD2 3.25Å; Y575-Y615 AromaticContact CE1-CE2 3.77Å; Y575-Y615 HydrophobicContact CE1-CE2 3.77Å; Y575-Y615 AromaticContact CE1-CG 3.74Å; Y575-Y615 HydrophobicContact CE1-CG 3.74Å; Y575-Y615 HydrophobicContact CG-CD2 4.5Å; Y575-Y615 AromaticContact CZ-CD2 3.79Å; Y575-Y615 AromaticContact CZ-CE2 3.98Å
576	I	56.8	Low	50.7	Low	5 Å²	5	36.4 Å²	36.4	3%	0.026	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	113.5	178.9	-51.7	179.5	0	0	0	108.7	I536 M538 L563 I574 M578 L603 Y615 I616 T617	I536-I576 HydrophobicContact CB-CG1 4.49Å; I536-I576 HydrophobicContact CB-CG2 4.49Å; I536-I576 HydrophobicContact CD1-CG1 4.46Å; I536-I576 CarbonylContact O-C 3.54Å; I536-I576 WeakPolarHBondContact O-CA 3.14Å; M538-I576 HydrophobicContact CE-CG2 4.14Å; L563-I576 HydrophobicContact CD2-CD1 3.35Å; I574-I576 HydrophobicContact CG2-CD1 4.17Å; I574-I576 HydrophobicContact CG2-CG1 3.91Å; I576-M578 HydrophobicContact CG2-CE 4.47Å; I576-L603 HydrophobicContact CD1-CD1 4.46Å; I576-Y615 PolarHBondContact N-O 3Å; I576-I616 HydrophobicContact CB-CG1 4.4Å; I576-I616 HydrophobicContact CD1-CG1 4.31Å; I576-I616 CarbonylContact O-C 3.52Å; I576-I616 WeakPolarHBondContact O-CA 3.27Å; I576-T617 PolarHBondContact O-N 2.97Å
577	T	54.4	Low	50.1	Low	39 Å²	39	37.1 Å²	37.1	24%	0.239	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	123.8	174.4	-59.3	0	0	0	0	110.4	I536 T537 M538 N579 T617	I536-T577 PolarHBondContact O-N 2.8Å; T537-T577 CarbonylContact C-O 3.56Å; T537-T577 WeakPolarHBondContact CA-O 3.38Å; M538-T577 PolarHBondContact N-O 2.94Å; T577-N579 WeakPolarHBondContact CG2-OD1 3.47Å; T577-T617 CarbonylContact C-O 3.59Å; T577-T617 WeakPolarHBondContact CA-O 3.4Å
578	M	52.8	Low	49.6	Very low	60 Å²	60	39.4 Å²	39.4	30%	0.296	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	107.2	175.3	-76	-179.6	-84.4	0	0	109.6	M538 I576 I616 T617 M618 N619	M538-M578 HydrophobicContact CB-CG 4.34Å; M538-M578 HydrophobicContact CE-CG 3.37Å; M538-M578 HydrophobicContact CE-SD 3.82Å; M538-M578 HydrophobicContact SD-CG 4.48Å; I576-M578 HydrophobicContact CG2-CE 4.47Å; M578-I616 HydrophobicContact CE-CG2 3.99Å; M578-T617 PolarHBondContact N-O 2.85Å; M578-M618 HydrophobicContact CB-CG 4.24Å; M578-M618 HydrophobicContact CE-CG 3.38Å; M578-M618 HydrophobicContact CE-SD 3.83Å; M578-M618 HydrophobicContact SD-CG 4.38Å; M578-N619 PolarHBondContact O-N 3.15Å
579	N	49.4	Very low	48.9	Very low	50 Å²	50	39.2 Å²	39.2	27%	0.267	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	125.6	176.6	-59.5	-41.8	0	0	0	110	M538 N539 S540 T577 N619	M538-N579 PolarHBondContact O-N 2.98Å; N539-N579 WeakPolarHBondContact OD1-CB 3.35Å; N539-N579 PolarHBondContact OD1-ND2 3.5Å; S540-N579 PolarHBondContact N-O 3.03Å; S540-N579 PolarHBondContact OG-O 2.86Å; S540-N579 VanDerWaalsContact OG-O 3.06Å; T577-N579 WeakPolarHBondContact CG2-OD1 3.47Å; N579-N619 WeakPolarHBondContact OD1-CB 3.38Å; N579-N619 PolarHBondContact OD1-ND2 3.35Å
580	S	46.3	Very low	48.2	Very low	16 Å²	16	42.7 Å²	42.7	11%	0.112	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	117.5	177.5	57.3	0	0	0	0	111.4	S540 R559 R599 N619 S620 S621	S540-S580 WeakPolarHBondContact O-CA 3.33Å; S540-S580 WeakPolarHBondContact OG-CB 3.37Å; R559-S580 VanDerWaalsContact NH1-CB 3.34Å; S580-R599 PolarHBondContact OG-NH1 2.98Å; S580-N619 PolarHBondContact N-O 3.01Å; S580-N619 PolarHBondContact OG-O 3.04Å; S580-S620 CarbonylContact O-C 3.6Å; S580-S620 VanDerWaalsContact O-CA 3.27Å; S580-S620 WeakPolarHBondContact O-CA 3.37Å; S580-S620 WeakPolarHBondContact OG-CB 3.41Å; S580-S621 PolarHBondContact O-N 3.45Å
581	S	46.7	Very low	47.2	Very low	43 Å²	43	43 Å²	43	30%	0.301	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	144.4	170.3	58.4	0	0	0	0	111.9	S540 S541 G542 S621	S540-S581 PolarHBondContact O-N 2.87Å; S541-S581 VanDerWaalsContact CA-OG 3.29Å; S541-S581 WeakPolarHBondContact CA-OG 3.49Å; S541-S581 WeakPolarHBondContact CB-OG 3.29Å; G542-S581 PolarHBondContact N-O 3.38Å; G542-S581 VanDerWaalsContact N-O 3.11Å; S581-S621 WeakPolarHBondContact CA-OG 3.42Å; S581-S621 WeakPolarHBondContact CB-OG 3.24Å
582	G	45.5	Very low	46.6	Very low	7 Å²	7	42.2 Å²	42.2	7%	0.072	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-70.9	162.9	171.6	0	0	0	0	0	112.2	S621	G582-S621 PolarHBondContact N-O 2.94Å
583	P	45.8	Very low	45.4	Very low	30 Å²	30	42.5 Å²	42.5	20%	0.195	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-65.2	133.9	169.8	27.1	-32.3	0	0	0	110.5	P543 P623	P543-P583 HydrophobicContact CG-CB 4.12Å; P543-P583 WeakPolarHBondContact O-CA 3.19Å; P543-P583 WeakPolarHBondContact O-CB 3.25Å; P583-P623 HydrophobicContact CG-CB 4.23Å; P583-P623 VanDerWaalsContact O-CA 3.24Å; P583-P623 WeakPolarHBondContact O-CA 3.24Å; P583-P623 WeakPolarHBondContact O-CB 3.06Å
584	N	42.7	Very low	44.1	Very low	57 Å²	57	44.2 Å²	44.2	31%	0.305	24%	0.24	S	C	.	.	P	Polyproline II helix	trans	-88.6	126	166.6	-65.9	-21.5	0	0	0	109.2	N544 S545 N624	N544-N584 CarbonylContact C-O 3.52Å; N544-N584 WeakPolarHBondContact CA-O 3.18Å; N544-N584 VanDerWaalsContact OD1-CB 3.3Å; N544-N584 WeakPolarHBondContact OD1-CB 3.33Å; N544-N584 PolarHBondContact OD1-N 3.24Å; N544-N584 VanDerWaalsContact OD1-N 3.16Å; S545-N584 PolarHBondContact N-O 2.82Å; N584-N624 WeakPolarHBondContact CA-O 3.34Å; N584-N624 WeakPolarHBondContact OD1-CB 3.42Å; N584-N624 PolarHBondContact OD1-N 2.95Å
585	S	41.6	Very low	42.9	Very low	15 Å²	15	46 Å²	46	11%	0.105	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	117.6	-179.5	64.1	0	0	0	0	112.1	S545 H587 N624 S625	S545-S585 VanDerWaalsContact O-CA 3.28Å; S545-S585 WeakPolarHBondContact O-CA 3.29Å; S585-H587 WeakPolarHBondContact CB-CD2 3.3Å; S585-H587 PolarHBondContact OG-CD2 3.41Å; S585-N624 PolarHBondContact N-O 3.04Å; S585-S625 VanDerWaalsContact O-CA 3.29Å; S585-S625 WeakPolarHBondContact O-CA 3.28Å
586	H	38.9	Very low	41.6	Very low	79 Å²	79	44.8 Å²	44.8	37%	0.366	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	111	164	-69.6	-101.3	0	0	0	107.5	S545 H546 H547 H626	S545-H586 PolarHBondContact O-N 2.77Å; H546-H586 AromaticContact CE1-CD2 3.02Å; H546-H586 PolarHBondContact CE1-CD2 2.85Å; H546-H586 AromaticContact CE1-CG 3.73Å; H546-H586 AromaticContact CE1-NE2 3.54Å; H546-H586 AromaticContact ND1-CD2 3.36Å; H546-H586 PolarHBondContact ND1-CD2 2.93Å; H546-H586 AromaticContact ND1-CG 3.63Å; H546-H586 AromaticContact NE2-CD2 3.72Å; H547-H586 PolarHBondContact N-O 3Å; H547-H586 VanDerWaalsContact N-O 3.15Å; H586-H626 AromaticContact CE1-CD2 3.08Å; H586-H626 PolarHBondContact CE1-CD2 2.83Å; H586-H626 AromaticContact CE1-CG 3.81Å; H586-H626 AromaticContact CE1-NE2 3.73Å; H586-H626 AromaticContact ND1-CD2 3.45Å; H586-H626 PolarHBondContact ND1-CD2 3.1Å; H586-H626 AromaticContact ND1-CG 3.75Å; H586-H626 AromaticContact NE2-CD2 3.89Å
587	H	37.1	Very low	40.6	Very low	16 Å²	16	46 Å²	46	7%	0.074	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	117.6	-169.1	-94.8	-41.3	0	0	0	109.4	S585 P589 H626	S585-H587 WeakPolarHBondContact CB-CD2 3.3Å; S585-H587 PolarHBondContact OG-CD2 3.41Å; H587-P589 VanDerWaalsContact CB-CD 3.4Å; H587-P589 HydrophobicContact CB-CG 4.05Å; H587-P589 WeakPolarHBondContact O-CD 3.3Å; H587-H626 PolarHBondContact N-O 3.25Å
588	L	37.2	Very low	39.8	Very low	96 Å²	96	48.6 Å²	48.6	50%	0.503	27%	0.272	S	S	.	.			trans	-104.6	47.7	162.1	-85.5	163.9	0	0	0	112.5	L548 L628	L548-L588 HydrophobicContact CD2-CB 3.51Å; L548-L588 HydrophobicContact CD2-CD1 3.88Å; L548-L588 HydrophobicContact CD2-CG 4.35Å; L548-L588 HydrophobicContact CG-CB 4.49Å; L588-L628 HydrophobicContact CD2-CB 3.77Å; L588-L628 HydrophobicContact CD2-CD1 4.09Å
589	P	33.9	Very low	39.2	Very low	3 Å²	3	49.8 Å²	49.8	2%	0.019	27%	0.273	C	S	.	.			trans	-87.8	148.2	173.3	36.7	-33.6	0	0	0	110.7	P549 P552 H587 S591 A629	P549-P589 HydrophobicContact CG-CB 4.21Å; P549-P589 WeakPolarHBondContact O-CB 2.9Å; P552-P589 HydrophobicContact CG-CB 4.44Å; H587-P589 VanDerWaalsContact CB-CD 3.4Å; H587-P589 HydrophobicContact CB-CG 4.05Å; H587-P589 WeakPolarHBondContact O-CD 3.3Å; P589-S591 WeakPolarHBondContact CB-O 3.42Å; P589-S591 PolarHBondContact O-N 2.81Å; P589-A629 WeakPolarHBondContact O-CB 3.07Å
590	F	37.8	Very low	38.7	Very low	163 Å²	163	49.5 Å²	49.5	72%	0.715	27%	0.272	S	S	*	.	S	Bend	trans	-66.3	-8.3	164.8	-76.1	-85.4	0	0	0	112.9
591	S	33.7	Very low	38.4	Very low	73 Å²	73	50.5 Å²	50.5	51%	0.51	29%	0.285	S	S	.	.	S	Bend	trans	-152.5	126.7	172.9	-56.7	0	0	0	0	111.7	P552 P589	P552-S591 VanDerWaalsContact CD-O 3.23Å; P552-S591 WeakPolarHBondContact CD-O 3.17Å; P552-S591 VanDerWaalsContact CG-O 3.24Å; P552-S591 WeakPolarHBondContact CG-O 3.19Å; P589-S591 WeakPolarHBondContact CB-O 3.42Å; P589-S591 PolarHBondContact O-N 2.81Å
592	P	38.8	Very low	38.1	Very low	21 Å²	21	50.5 Å²	50.5	14%	0.136	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-78.7	152.4	-178.4	36.6	-41.2	0	0	0	112.4	S631 P633	P592-S631 WeakPolarHBondContact CD-O 3.18Å; P592-S631 VanDerWaalsContact CG-O 3.26Å; P592-S631 WeakPolarHBondContact CG-O 3.04Å; P592-P633 HydrophobicContact CB-CB 3.76Å; P592-P633 HydrophobicContact CB-CG 3.89Å; P592-P633 HydrophobicContact CG-CB 3.94Å; P592-P633 HydrophobicContact CG-CG 4.3Å
593	P	33.4	Very low	38	Very low	8 Å²	8	51.4 Å²	51.4	5%	0.052	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-76.6	141.2	179	27.9	-27.2	0	0	0	111.6	P552 P553 L595 P633	P552-P593 HydrophobicContact CB-CB 3.81Å; P552-P593 HydrophobicContact CB-CG 3.79Å; P552-P593 HydrophobicContact CG-CB 3.79Å; P552-P593 VanDerWaalsContact CG-CD 3.42Å; P552-P593 HydrophobicContact CG-CG 3.84Å; P553-P593 WeakPolarHBondContact O-CB 3.25Å; P593-L595 PolarHBondContact O-N 3.01Å; P593-P633 WeakPolarHBondContact O-CB 3Å
594	P	35.4	Very low	37.9	Very low	68 Å²	68	51.6 Å²	51.6	44%	0.442	29%	0.29	S	S	.	.	P	Polyproline II helix	trans	-67.7	122.9	171	19.8	-22.5	0	0	0	110.6	P554 P634	P554-P594 HydrophobicContact CB-CG 4.26Å; P594-P634 HydrophobicContact CB-CG 4.35Å
595	L	32.3	Very low	38	Very low	39 Å²	39	50.3 Å²	50.3	20%	0.204	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	120.4	177.2	-58.2	178.5	0	0	0	109.1	L555 P593 L635 S636	L555-L595 HydrophobicContact CB-CD2 3.76Å; L555-L595 HydrophobicContact CD1-CD2 3.72Å; L555-L595 HydrophobicContact CG-CD2 4.08Å; P593-L595 PolarHBondContact O-N 3.01Å; L595-L635 HydrophobicContact CB-CD2 3.83Å; L595-L635 HydrophobicContact CD1-CD2 3.67Å; L595-L635 HydrophobicContact CG-CD2 4.19Å; L595-S636 PolarHBondContact O-N 2.91Å; L595-S636 VanDerWaalsContact O-N 3.16Å
596	S	34.3	Very low	38.4	Very low	52 Å²	52	49.7 Å²	49.7	36%	0.364	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	130.3	177.1	65.4	0	0	0	0	113.2	L555 S556 G557 S636	L555-S596 PolarHBondContact O-N 3.19Å; L555-S596 VanDerWaalsContact O-N 3.09Å; S556-S596 VanDerWaalsContact CA-O 3.24Å; S556-S596 WeakPolarHBondContact CA-O 2.88Å; G557-S596 PolarHBondContact N-O 2.94Å; S596-S636 VanDerWaalsContact CA-O 3.26Å; S596-S636 WeakPolarHBondContact CA-O 3.36Å
597	G	35.6	Very low	38.8	Very low	32 Å²	32	48.3 Å²	48.3	33%	0.33	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	135.8	-179.4	0	0	0	0	0	114.2	G557 S636 G637 R638	G557-G597 VanDerWaalsContact O-CA 3.27Å; G557-G597 WeakPolarHBondContact O-CA 3.15Å; G597-S636 PolarHBondContact N-O 2.87Å; G597-S636 VanDerWaalsContact N-O 3.17Å; G597-G637 WeakPolarHBondContact O-CA 3.37Å; G597-R638 PolarHBondContact O-N 2.88Å
598	R	36.4	Very low	39.4	Very low	93 Å²	93	48 Å²	48	35%	0.351	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	123.3	167.1	-63.5	-167.7	-178.7	-155.2	2.4	109.5	G557 R558 R559 R638	G557-R598 PolarHBondContact O-N 3.46Å; G557-R598 VanDerWaalsContact O-N 3.14Å; R558-R598 CarbonylContact C-O 3.56Å; R558-R598 VanDerWaalsContact CA-O 3.27Å; R558-R598 WeakPolarHBondContact CA-O 2.9Å; R558-R598 HydrophobicContact CG-CB 4.23Å; R559-R598 PolarHBondContact N-O 3.37Å; R598-R638 VanDerWaalsContact CA-O 3.3Å; R598-R638 WeakPolarHBondContact CA-O 3.34Å; R598-R638 HydrophobicContact CG-CB 4.32Å
599	R	40.9	Very low	40.2	Very low	85 Å²	85	48.6 Å²	48.6	32%	0.321	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	109.9	172.5	-61.9	-174.9	-176.7	-155.2	0.2	107	R559 S580 R638 R639 N640	R559-R599 HydrophobicContact CB-CG 4.43Å; R559-R599 CarbonylContact O-C 3.55Å; R559-R599 WeakPolarHBondContact O-CA 2.86Å; S580-R599 PolarHBondContact OG-NH1 2.98Å; R599-R638 PolarHBondContact N-O 2.89Å; R599-R638 VanDerWaalsContact N-O 3.11Å; R599-R639 WeakPolarHBondContact O-CA 3Å; R599-N640 PolarHBondContact O-N 2.79Å
600	N	37.6	Very low	41.1	Very low	44 Å²	44	51.6 Å²	51.6	24%	0.235	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	105.2	177.8	-64.6	17.1	0	0	0	113	R559 N560 G561 N640	R559-N600 PolarHBondContact O-N 2.89Å; N560-N600 WeakPolarHBondContact CA-O 3.1Å; N560-N600 VanDerWaalsContact CB-O 3.29Å; N560-N600 WeakPolarHBondContact CB-O 3.07Å; N560-N600 PolarHBondContact OD1-N 2.77Å; G561-N600 PolarHBondContact N-O 2.79Å; N600-N640 WeakPolarHBondContact CA-O 3.48Å; N600-N640 WeakPolarHBondContact CB-O 2.88Å
601	G	40.4	Very low	41.9	Very low	37 Å²	37	45.5 Å²	45.5	38%	0.381	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	140.8	171.9	0	0	0	0	0	111.4	G561 N640 G641 S642	G561-G601 VanDerWaalsContact O-CA 3.28Å; G561-G601 WeakPolarHBondContact O-CA 3.46Å; G601-N640 PolarHBondContact N-O 2.95Å; G601-G641 CarbonylContact O-C 3.55Å; G601-G641 WeakPolarHBondContact O-CA 3.26Å; G601-S642 PolarHBondContact O-N 3.48Å
602	S	40.6	Very low	43	Very low	43 Å²	43	42.1 Å²	42.1	30%	0.301	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	121.1	168.9	60	0	0	0	0	109.9	G561 S562 L563 S642	G561-S602 PolarHBondContact O-N 2.9Å; G561-S602 VanDerWaalsContact O-N 3.08Å; S562-S602 CarbonylContact C-O 3.52Å; S562-S602 WeakPolarHBondContact CA-O 3.2Å; S562-S602 VanDerWaalsContact CB-OG 3.27Å; S562-S602 WeakPolarHBondContact CB-OG 3.09Å; L563-S602 PolarHBondContact N-O 2.73Å; S602-S642 CarbonylContact C-O 3.52Å; S602-S642 VanDerWaalsContact CA-O 3.25Å; S602-S642 WeakPolarHBondContact CA-O 3.03Å; S602-S642 WeakPolarHBondContact CB-OG 3.23Å
603	L	44.5	Very low	44	Very low	25 Å²	25	42.6 Å²	42.6	13%	0.131	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	118.5	178.5	-154.8	114.5	0	0	0	107.1	L563 I576 L606 I616 S642 L643 S644	L563-L603 HydrophobicContact CB-CD1 3.82Å; L563-L603 HydrophobicContact CB-CG 4.17Å; L563-L603 HydrophobicContact CD2-CD1 3.53Å; L563-L603 HydrophobicContact CD2-CG 4.12Å; L563-L603 HydrophobicContact CG-CD1 4.28Å; L563-L603 CarbonylContact O-C 3.5Å; L563-L603 WeakPolarHBondContact O-CA 3.41Å; I576-L603 HydrophobicContact CD1-CD1 4.46Å; L603-L606 HydrophobicContact CD2-CD1 3.59Å; L603-L606 HydrophobicContact CD2-CG 4.3Å; L603-I616 HydrophobicContact CD1-CD1 4.4Å; L603-I616 HydrophobicContact CD2-CD1 4.22Å; L603-S642 PolarHBondContact N-O 2.81Å; L603-L643 HydrophobicContact CB-CD2 3.89Å; L603-L643 HydrophobicContact CB-CG 4.28Å; L603-L643 HydrophobicContact CD2-CD2 3.67Å; L603-L643 HydrophobicContact CG-CD2 4.39Å; L603-L643 WeakPolarHBondContact O-CA 3.35Å; L603-S644 PolarHBondContact O-N 2.74Å
604	S	43.4	Very low	45.2	Very low	35 Å²	35	42.4 Å²	42.4	25%	0.245	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	138.6	-172.4	62.5	0	0	0	0	117.7	L563 S564 G565 S644	L563-S604 PolarHBondContact O-N 2.8Å; S564-S604 CarbonylContact C-O 3.53Å; S564-S604 WeakPolarHBondContact CA-O 3.27Å; S564-S604 WeakPolarHBondContact CB-O 3.28Å; S564-S604 WeakPolarHBondContact CB-OG 2.89Å; G565-S604 PolarHBondContact N-O 2.96Å; G565-S604 VanDerWaalsContact N-O 3.13Å; S604-S644 CarbonylContact C-O 3.54Å; S604-S644 WeakPolarHBondContact CA-O 3.43Å; S604-S644 WeakPolarHBondContact CB-O 3.37Å
605	G	44.1	Very low	46.4	Very low	30 Å²	30	43 Å²	43	31%	0.309	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	80.6	56.3	179.1	0	0	0	0	0	111.6	G565 L566 S644 G645	G565-G605 CarbonylContact C-O 3.53Å; G565-G605 WeakPolarHBondContact CA-O 3.29Å; G565-G605 PolarHBondContact N-O 3.26Å; L566-G605 PolarHBondContact N-O 3.37Å; G605-S644 PolarHBondContact N-O 2.73Å; G605-G645 CarbonylContact C-O 3.56Å; G605-G645 WeakPolarHBondContact CA-O 3.09Å; G605-G645 PolarHBondContact N-O 2.75Å
606	L	50	Low	47.5	Very low	2 Å²	2	41.4 Å²	41.4	1%	0.01	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	112.8	164.4	-52.7	-176.9	0	0	0	105.5	L566 L603 I614 G645 L646 S647	L566-L606 HydrophobicContact CB-CD2 3.51Å; L566-L606 HydrophobicContact CD1-CD2 3.3Å; L566-L606 HydrophobicContact CG-CD2 3.34Å; L566-L606 WeakPolarHBondContact O-CA 3.43Å; L603-L606 HydrophobicContact CD2-CD1 3.59Å; L603-L606 HydrophobicContact CD2-CG 4.3Å; L606-I614 HydrophobicContact CB-CD1 4.4Å; L606-I614 HydrophobicContact CD1-CD1 3.36Å; L606-I614 HydrophobicContact CG-CD1 4.3Å; L606-G645 PolarHBondContact N-O 3Å; L606-L646 HydrophobicContact CB-CD2 3.63Å; L606-L646 HydrophobicContact CD1-CD2 3.2Å; L606-L646 HydrophobicContact CG-CD2 3.43Å; L606-L646 VanDerWaalsContact CG-CD2 3.43Å; L606-S647 PolarHBondContact O-N 2.8Å
607	S	48.5	Very low	48.4	Very low	49 Å²	49	40.8 Å²	40.8	34%	0.343	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	140.1	179.9	63.8	0	0	0	0	111.1	L566 S567 G568 Q612 S647	L566-S607 PolarHBondContact O-N 2.75Å; S567-S607 VanDerWaalsContact CA-O 3.27Å; S567-S607 WeakPolarHBondContact CA-O 3.34Å; G568-S607 PolarHBondContact N-O 2.75Å; S607-Q612 PolarHBondContact O-NE2 3.24Å; S607-S647 VanDerWaalsContact CA-O 3.29Å; S607-S647 WeakPolarHBondContact CA-O 3.38Å
608	G	48.2	Very low	49.2	Very low	11 Å²	11	42.2 Å²	42.2	11%	0.113	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.3	147.3	-179	0	0	0	0	0	112.7	G568 S647 G648 E649 Q652	G568-G608 WeakPolarHBondContact O-CA 3.3Å; G608-S647 PolarHBondContact N-O 2.78Å; G608-G648 WeakPolarHBondContact O-CA 3.39Å; G608-E649 PolarHBondContact O-N 2.77Å; G608-Q652 PolarHBondContact O-NE2 2.77Å
609	E	53.9	Low	49.7	Very low	108 Å²	108	40.2 Å²	40.2	51%	0.505	24%	0.237	S	C	.	.	S	Bend	trans	-87.9	-30	-173.5	-67	-177.4	172.2	0	0	112.7	E649	E609-E649 CarbonylContact O-C 3.47Å
610	N	54.3	Low	49.9	Very low	66 Å²	66	37 Å²	37	35%	0.353	23%	0.228	S	C	.	.	S	Bend	trans	-156.5	143.4	172	-57.9	-76	0	0	0	114.8	N570 G571 Q612	N570-N610 WeakPolarHBondContact CA-O 3.42Å; N570-N610 VanDerWaalsContact OD1-CB 3.31Å; N570-N610 WeakPolarHBondContact OD1-CB 3.36Å; N570-N610 PolarHBondContact OD1-ND2 2.74Å; N570-N610 VanDerWaalsContact OD1-ND2 3.09Å; G571-N610 PolarHBondContact N-O 2.95Å; N610-Q612 PolarHBondContact O-N 2.65Å
611	G	52.7	Low	50.3	Low	34 Å²	34	37.1 Å²	37.1	35%	0.351	23%	0.232	S	C	.	.			trans	66.6	20.5	155.8	0	0	0	0	0	117.9	N650	G611-N650 PolarHBondContact N-O 2.77Å
612	Q	58.1	Low	50.5	Low	2 Å²	2	36.1 Å²	36.1	1%	0.009	22%	0.222	C	C	.	.			trans	-74.9	134.8	177.1	-62.4	-176.1	-0.8	0	0	111.7	G568 Q572 S607 N610 Q652 V653	G568-Q612 VanDerWaalsContact CA-NE2 3.3Å; G568-Q612 PolarHBondContact O-NE2 3.25Å; Q572-Q612 HydrophobicContact CB-CG 4.34Å; Q572-Q612 WeakPolarHBondContact O-CA 3.39Å; S607-Q612 PolarHBondContact O-NE2 3.24Å; N610-Q612 PolarHBondContact O-N 2.65Å; Q612-Q652 HydrophobicContact CB-CG 4.3Å; Q612-Q652 WeakPolarHBondContact O-CA 3.45Å; Q612-V653 PolarHBondContact O-N 2.92Å
613	V	59.6	Low	50.7	Low	31 Å²	31	35.5 Å²	35.5	19%	0.188	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	126.7	176.9	-171.2	0	0	0	0	111.2	Q572 V573 I574 Y615 V653 Y655	Q572-V613 PolarHBondContact O-N 3.35Å; V573-V613 CarbonylContact C-O 3.58Å; V573-V613 VanDerWaalsContact CA-O 3.28Å; V573-V613 WeakPolarHBondContact CA-O 3.35Å; V573-V613 HydrophobicContact CG1-CB 4.45Å; I574-V613 PolarHBondContact N-O 2.87Å; V613-Y615 HydrophobicContact CB-CE2 4.25Å; V613-Y615 HydrophobicContact CG1-CD2 4.04Å; V613-Y615 HydrophobicContact CG1-CE1 4.44Å; V613-Y615 HydrophobicContact CG1-CE2 3.32Å; V613-V653 CarbonylContact C-O 3.58Å; V613-V653 WeakPolarHBondContact CA-O 3.47Å; V613-Y655 HydrophobicContact CG1-CD2 4.11Å; V613-Y655 HydrophobicContact CG1-CE2 4Å
614	I	58	Low	50.6	Low	4 Å²	4	37.6 Å²	37.6	2%	0.021	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	119.8	-176.3	-52.6	-179.1	0	0	0	110.1	I574 L606 I616 V653 I654 Y655	I574-I614 HydrophobicContact CB-CG1 4.35Å; I574-I614 HydrophobicContact CB-CG2 4.33Å; I574-I614 HydrophobicContact CD1-CD1 4.36Å; I574-I614 HydrophobicContact CD1-CG1 4.31Å; I574-I614 CarbonylContact O-C 3.57Å; I574-I614 WeakPolarHBondContact O-CA 3.25Å; L606-I614 HydrophobicContact CB-CD1 4.4Å; L606-I614 HydrophobicContact CD1-CD1 3.36Å; L606-I614 HydrophobicContact CG-CD1 4.3Å; I614-I616 HydrophobicContact CG2-CD1 4.33Å; I614-I616 HydrophobicContact CG2-CG1 4.04Å; I614-V653 PolarHBondContact N-O 2.88Å; I614-I654 HydrophobicContact CB-CG1 4.36Å; I614-I654 HydrophobicContact CB-CG2 4.4Å; I614-I654 CarbonylContact O-C 3.58Å; I614-I654 WeakPolarHBondContact O-CA 3.46Å; I614-Y655 PolarHBondContact O-N 3.03Å
615	Y	60.4	Low	50.5	Low	80 Å²	80	36.6 Å²	36.6	31%	0.314	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	122.9	175.5	-62.6	-87.4	0	0	0	110.4	V573 I574 Y575 I576 V613 Y655	V573-Y615 HydrophobicContact CG1-CD2 4.1Å; V573-Y615 HydrophobicContact CG1-CE2 3.97Å; I574-Y615 PolarHBondContact O-N 2.92Å; Y575-Y615 CarbonylContact C-O 3.51Å; Y575-Y615 WeakPolarHBondContact CA-O 3.26Å; Y575-Y615 AromaticContact CD1-CD2 3.68Å; Y575-Y615 HydrophobicContact CD1-CD2 3.68Å; Y575-Y615 AromaticContact CD1-CG 3.89Å; Y575-Y615 HydrophobicContact CD1-CG 3.89Å; Y575-Y615 AromaticContact CE1-CD2 3.25Å; Y575-Y615 HydrophobicContact CE1-CD2 3.25Å; Y575-Y615 AromaticContact CE1-CE2 3.77Å; Y575-Y615 HydrophobicContact CE1-CE2 3.77Å; Y575-Y615 AromaticContact CE1-CG 3.74Å; Y575-Y615 HydrophobicContact CE1-CG 3.74Å; Y575-Y615 HydrophobicContact CG-CD2 4.5Å; Y575-Y615 AromaticContact CZ-CD2 3.79Å; Y575-Y615 AromaticContact CZ-CE2 3.98Å; I576-Y615 PolarHBondContact N-O 3Å; V613-Y615 HydrophobicContact CB-CE2 4.25Å; V613-Y615 HydrophobicContact CG1-CD2 4.04Å; V613-Y615 HydrophobicContact CG1-CE1 4.44Å; V613-Y615 HydrophobicContact CG1-CE2 3.32Å; Y615-Y655 CarbonylContact C-O 3.57Å; Y615-Y655 WeakPolarHBondContact CA-O 3.35Å; Y615-Y655 AromaticContact CD1-CD2 3.71Å; Y615-Y655 HydrophobicContact CD1-CD2 3.71Å; Y615-Y655 AromaticContact CD1-CG 3.92Å; Y615-Y655 HydrophobicContact CD1-CG 3.92Å; Y615-Y655 AromaticContact CE1-CD2 3.26Å; Y615-Y655 HydrophobicContact CE1-CD2 3.26Å; Y615-Y655 AromaticContact CE1-CE2 3.81Å; Y615-Y655 HydrophobicContact CE1-CE2 3.81Å; Y615-Y655 AromaticContact CE1-CG 3.75Å; Y615-Y655 HydrophobicContact CE1-CG 3.75Å; Y615-Y655 AromaticContact CZ-CD2 3.81Å
616	I	55.7	Low	50.3	Low	7 Å²	7	39.5 Å²	39.5	4%	0.036	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	113.2	178.3	-54.7	177.3	0	0	0	108.9	I576 M578 L603 I614 M618 Y655 I656 T657	I576-I616 HydrophobicContact CB-CG1 4.4Å; I576-I616 HydrophobicContact CD1-CG1 4.31Å; I576-I616 CarbonylContact O-C 3.52Å; I576-I616 WeakPolarHBondContact O-CA 3.27Å; M578-I616 HydrophobicContact CE-CG2 3.99Å; L603-I616 HydrophobicContact CD1-CD1 4.4Å; L603-I616 HydrophobicContact CD2-CD1 4.22Å; I614-I616 HydrophobicContact CG2-CD1 4.33Å; I614-I616 HydrophobicContact CG2-CG1 4.04Å; I616-M618 HydrophobicContact CG2-CE 4.47Å; I616-Y655 PolarHBondContact N-O 2.88Å; I616-I656 HydrophobicContact CB-CG1 4.38Å; I616-I656 HydrophobicContact CD1-CG1 4.37Å; I616-I656 CarbonylContact O-C 3.55Å; I616-I656 WeakPolarHBondContact O-CA 3.42Å; I616-T657 PolarHBondContact O-N 3.45Å
617	T	54.1	Low	49.6	Very low	39 Å²	39	40.7 Å²	40.7	24%	0.239	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	123.6	173.9	-59.4	0	0	0	0	110.6	I576 T577 M578 T657	I576-T617 PolarHBondContact O-N 2.97Å; T577-T617 CarbonylContact C-O 3.59Å; T577-T617 WeakPolarHBondContact CA-O 3.4Å; M578-T617 PolarHBondContact N-O 2.85Å; T617-T657 CarbonylContact C-O 3.54Å; T617-T657 WeakPolarHBondContact CA-O 3.49Å
618	M	51.4	Low	49.1	Very low	62 Å²	62	44.7 Å²	44.7	31%	0.305	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	107.8	176.2	-75	-178.8	-85.1	0	0	110	M578 I616 I656 T657 M658 N659	M578-M618 HydrophobicContact CB-CG 4.24Å; M578-M618 HydrophobicContact CE-CG 3.38Å; M578-M618 HydrophobicContact CE-SD 3.83Å; M578-M618 HydrophobicContact SD-CG 4.38Å; I616-M618 HydrophobicContact CG2-CE 4.47Å; M618-I656 HydrophobicContact CE-CG2 3.84Å; M618-T657 PolarHBondContact N-O 3.26Å; M618-M658 HydrophobicContact CB-CG 4.21Å; M618-M658 HydrophobicContact CE-CG 3.37Å; M618-M658 HydrophobicContact CE-SD 3.79Å; M618-M658 CarbonylContact O-C 3.56Å; M618-M658 HydrophobicContact SD-CG 4.37Å; M618-N659 PolarHBondContact O-N 3.2Å
619	N	48.1	Very low	48.3	Very low	50 Å²	50	44.6 Å²	44.6	27%	0.267	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	126.3	176.2	-58.7	-41.7	0	0	0	110	M578 N579 S580 N659	M578-N619 PolarHBondContact O-N 3.15Å; N579-N619 WeakPolarHBondContact OD1-CB 3.38Å; N579-N619 PolarHBondContact OD1-ND2 3.35Å; S580-N619 PolarHBondContact N-O 3.01Å; S580-N619 PolarHBondContact OG-O 3.04Å; N619-N659 WeakPolarHBondContact OD1-CB 3.27Å; N619-N659 PolarHBondContact OD1-ND2 3.22Å
620	S	44.4	Very low	47.5	Very low	19 Å²	19	47.8 Å²	47.8	13%	0.133	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	123.4	176.6	57.5	0	0	0	0	112.1	S580 N659 S660 S661	S580-S620 CarbonylContact O-C 3.6Å; S580-S620 VanDerWaalsContact O-CA 3.27Å; S580-S620 WeakPolarHBondContact O-CA 3.37Å; S580-S620 WeakPolarHBondContact OG-CB 3.41Å; S620-N659 PolarHBondContact N-O 3.03Å; S620-N659 PolarHBondContact OG-O 3.02Å; S620-S660 CarbonylContact O-C 3.53Å; S620-S660 VanDerWaalsContact O-CA 3.27Å; S620-S660 WeakPolarHBondContact O-CA 3.42Å; S620-S661 PolarHBondContact O-N 3.33Å
621	S	45.7	Very low	46.6	Very low	46 Å²	46	47.9 Å²	47.9	32%	0.322	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	138.2	170.3	57.1	0	0	0	0	111.5	S580 S581 G582 S661	S580-S621 PolarHBondContact O-N 3.45Å; S581-S621 WeakPolarHBondContact CA-OG 3.42Å; S581-S621 WeakPolarHBondContact CB-OG 3.24Å; G582-S621 PolarHBondContact N-O 2.94Å; S621-S661 VanDerWaalsContact CA-OG 3.3Å; S621-S661 WeakPolarHBondContact CA-OG 3.46Å; S621-S661 VanDerWaalsContact CB-OG 3.26Å; S621-S661 WeakPolarHBondContact CB-OG 3.37Å
622	G	45.1	Very low	46	Very low	16 Å²	16	47.8 Å²	47.8	17%	0.165	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-65.2	163.4	172.8	0	0	0	0	0	112.6	N624 S661	G622-N624 PolarHBondContact O-N 2.94Å; G622-S661 PolarHBondContact N-O 2.92Å
623	P	45.5	Very low	44.9	Very low	30 Å²	30	48.5 Å²	48.5	20%	0.195	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-64.2	131.2	170.8	27.8	-32.8	0	0	0	110.3	P583 P663	P583-P623 HydrophobicContact CG-CB 4.23Å; P583-P623 VanDerWaalsContact O-CA 3.24Å; P583-P623 WeakPolarHBondContact O-CA 3.24Å; P583-P623 WeakPolarHBondContact O-CB 3.06Å; P623-P663 VanDerWaalsContact O-CB 3.26Å; P623-P663 WeakPolarHBondContact O-CB 3.34Å
624	N	42.1	Very low	43.7	Very low	69 Å²	69	50.6 Å²	50.6	37%	0.369	28%	0.278	S	S	.	.	P	Polyproline II helix	trans	-82.4	123.2	164.4	-73.3	-19.1	0	0	0	108.3	N584 S585 G622	N584-N624 WeakPolarHBondContact CA-O 3.34Å; N584-N624 WeakPolarHBondContact OD1-CB 3.42Å; N584-N624 PolarHBondContact OD1-N 2.95Å; S585-N624 PolarHBondContact N-O 3.04Å; G622-N624 PolarHBondContact O-N 2.94Å
625	S	40.9	Very low	42.5	Very low	14 Å²	14	52.3 Å²	52.3	10%	0.098	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	121.2	179.7	57.6	0	0	0	0	110.9	S585 H627	S585-S625 VanDerWaalsContact O-CA 3.29Å; S585-S625 WeakPolarHBondContact O-CA 3.28Å; S625-H627 WeakPolarHBondContact CB-CD2 2.93Å; S625-H627 WeakPolarHBondContact CB-NE2 3.07Å; S625-H627 PolarHBondContact O-N 3.13Å; S625-H627 PolarHBondContact OG-CD2 2.98Å
626	H	38.9	Very low	41.2	Very low	91 Å²	91	51.2 Å²	51.2	42%	0.421	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	98.7	164	-70.1	-95	0	0	0	106.6	H586 H587 Y666	H586-H626 AromaticContact CE1-CD2 3.08Å; H586-H626 PolarHBondContact CE1-CD2 2.83Å; H586-H626 AromaticContact CE1-CG 3.81Å; H586-H626 AromaticContact CE1-NE2 3.73Å; H586-H626 AromaticContact ND1-CD2 3.45Å; H586-H626 PolarHBondContact ND1-CD2 3.1Å; H586-H626 AromaticContact ND1-CG 3.75Å; H586-H626 AromaticContact NE2-CD2 3.89Å; H587-H626 PolarHBondContact N-O 3.25Å; H626-Y666 AromaticContact CE1-CD2 3.47Å; H626-Y666 VanDerWaalsContact CE1-CD2 3.47Å; H626-Y666 WeakPolarHBondContact CE1-CD2 3.4Å; H626-Y666 AromaticContact CE1-CE2 3.73Å; H626-Y666 AromaticContact ND1-CD2 3.78Å
627	H	36.5	Very low	40.1	Very low	26 Å²	26	52.3 Å²	52.3	12%	0.12	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	124.2	174.6	-78.8	-72.8	0	0	0	109.5	S625 A629	S625-H627 WeakPolarHBondContact CB-CD2 2.93Å; S625-H627 WeakPolarHBondContact CB-NE2 3.07Å; S625-H627 PolarHBondContact O-N 3.13Å; S625-H627 PolarHBondContact OG-CD2 2.98Å; H627-A629 VanDerWaalsContact C-N 3.33Å; H627-A629 HydrophobicContact CB-CB 4.46Å
628	L	36.8	Very low	39.2	Very low	134 Å²	134	55.5 Å²	55.5	70%	0.702	31%	0.311	S	S	*	.			trans	-103.7	41.9	155.7	-79.3	167.8	0	0	0	109.1	L588	L588-L628 HydrophobicContact CD2-CB 3.77Å; L588-L628 HydrophobicContact CD2-CD1 4.09Å
629	A	31.2	Very low	38.6	Very low	8 Å²	8	58.2 Å²	58.2	7%	0.066	32%	0.318	C	S	.	.			trans	-102.6	134.5	-179.5	0	0	0	0	0	110.3	P589 H627 S631	P589-A629 WeakPolarHBondContact O-CB 3.07Å; H627-A629 VanDerWaalsContact C-N 3.33Å; H627-A629 HydrophobicContact CB-CB 4.46Å; A629-S631 PolarHBondContact O-N 3.08Å
630	F	37.8	Very low	38.1	Very low	175 Å²	175	58 Å²	58	77%	0.768	32%	0.317	S	S	*	.	S	Bend	trans	-69.2	7.6	-178.5	-72.6	-84.4	0	0	0	115
631	S	36	Very low	37.8	Very low	69 Å²	69	58.7 Å²	58.7	48%	0.483	33%	0.328	S	S	.	.	S	Bend	trans	-154.7	135.4	175	-65.7	0	0	0	0	110.8	P592 A629	P592-S631 WeakPolarHBondContact CD-O 3.18Å; P592-S631 VanDerWaalsContact CG-O 3.26Å; P592-S631 WeakPolarHBondContact CG-O 3.04Å; A629-S631 PolarHBondContact O-N 3.08Å
632	P	40	Very low	37.5	Very low	32 Å²	32	58.5 Å²	58.5	21%	0.208	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-76.1	146.1	177.8	28.4	-32.9	0	0	0	112.2	F671	P632-F671 HydrophobicContact CG-CB 4.29Å
633	P	34.5	Very low	37.5	Very low	17 Å²	17	59.6 Å²	59.6	11%	0.11	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-65.6	136.9	174.5	16.4	-21.9	0	0	0	112	P592 P593 L635	P592-P633 HydrophobicContact CB-CB 3.76Å; P592-P633 HydrophobicContact CB-CG 3.89Å; P592-P633 HydrophobicContact CG-CB 3.94Å; P592-P633 HydrophobicContact CG-CG 4.3Å; P593-P633 WeakPolarHBondContact O-CB 3Å; P633-L635 PolarHBondContact O-N 3.31Å
634	P	34.9	Very low	37.3	Very low	75 Å²	75	60 Å²	60	49%	0.487	33%	0.331	S	S	.	.	P	Polyproline II helix	trans	-68.6	117.3	168.4	25.7	-30.1	0	0	0	109.9	P594	P594-P634 HydrophobicContact CB-CG 4.35Å
635	L	31.7	Very low	37.3	Very low	39 Å²	39	58 Å²	58	20%	0.204	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	115	174.2	-65.5	178	0	0	0	108.7	L595 P633 T673 R674 L675 S676	L595-L635 HydrophobicContact CB-CD2 3.83Å; L595-L635 HydrophobicContact CD1-CD2 3.67Å; L595-L635 HydrophobicContact CG-CD2 4.19Å; P633-L635 PolarHBondContact O-N 3.31Å; L635-T673 HydrophobicContact CD1-CG2 3.79Å; L635-T673 HydrophobicContact CG-CG2 4.17Å; L635-R674 PolarHBondContact N-O 2.95Å; L635-L675 HydrophobicContact CB-CD2 4.02Å; L635-L675 HydrophobicContact CD1-CD2 3.6Å; L635-L675 HydrophobicContact CG-CD2 4.45Å; L635-S676 PolarHBondContact O-N 3.42Å; L635-S676 PolarHBondContact O-OG 2.8Å
636	S	33	Very low	37.7	Very low	57 Å²	57	57.4 Å²	57.4	40%	0.399	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	124.3	173.9	67.2	0	0	0	0	111.9	L595 S596 G597 S676	L595-S636 PolarHBondContact O-N 2.91Å; L595-S636 VanDerWaalsContact O-N 3.16Å; S596-S636 VanDerWaalsContact CA-O 3.26Å; S596-S636 WeakPolarHBondContact CA-O 3.36Å; G597-S636 PolarHBondContact N-O 2.87Å; G597-S636 VanDerWaalsContact N-O 3.17Å; S636-S676 WeakPolarHBondContact CA-O 3.17Å
637	G	34.5	Very low	38.1	Very low	31 Å²	31	55.3 Å²	55.3	32%	0.32	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	134.1	178	0	0	0	0	0	114.4	G597 S676 G677	G597-G637 WeakPolarHBondContact O-CA 3.37Å; G637-S676 PolarHBondContact N-O 3.43Å; G637-S676 VanDerWaalsContact N-O 3.17Å; G637-G677 WeakPolarHBondContact O-CA 3.35Å
638	R	34.8	Very low	38.5	Very low	105 Å²	105	54.3 Å²	54.3	40%	0.396	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	123.2	170.9	-68	-170.1	-177.3	-156.6	2.4	108.9	G597 R598 R599	G597-R638 PolarHBondContact O-N 2.88Å; R598-R638 VanDerWaalsContact CA-O 3.3Å; R598-R638 WeakPolarHBondContact CA-O 3.34Å; R598-R638 HydrophobicContact CG-CB 4.32Å; R599-R638 PolarHBondContact N-O 2.89Å; R599-R638 VanDerWaalsContact N-O 3.11Å
639	R	39	Very low	39	Very low	119 Å²	119	53 Å²	53	45%	0.449	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	111.1	169.5	-64.6	-175.5	-176.5	-160	2	106.6	R599 R678 N680	R599-R639 WeakPolarHBondContact O-CA 3Å; R639-R678 PolarHBondContact N-O 3.04Å; R639-N680 PolarHBondContact O-N 3.28Å
640	N	36.2	Very low	39.9	Very low	45 Å²	45	56.1 Å²	56.1	24%	0.241	32%	0.321	C	S	.	.			trans	-121.9	101.4	177.9	-68.7	20	0	0	0	111	R599 N600 G601 N680	R599-N640 PolarHBondContact O-N 2.79Å; N600-N640 WeakPolarHBondContact CA-O 3.48Å; N600-N640 WeakPolarHBondContact CB-O 2.88Å; G601-N640 PolarHBondContact N-O 2.95Å; N640-N680 WeakPolarHBondContact CA-O 3.44Å
641	G	39.3	Very low	40.6	Very low	35 Å²	35	50 Å²	50	36%	0.361	31%	0.308	S	S	.	.			trans	-107.9	129.1	174.7	0	0	0	0	0	111.4	G601 G681 S682	G601-G641 CarbonylContact O-C 3.55Å; G601-G641 WeakPolarHBondContact O-CA 3.26Å; G641-G681 CarbonylContact O-C 3.49Å; G641-G681 WeakPolarHBondContact O-CA 3.4Å; G641-S682 PolarHBondContact O-N 3.23Å; G641-S682 VanDerWaalsContact O-N 3.15Å
642	S	39.8	Very low	41.6	Very low	41 Å²	41	47.1 Å²	47.1	29%	0.287	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	120.7	171.8	56.7	0	0	0	0	110	G601 S602 L603 S682	G601-S642 PolarHBondContact O-N 3.48Å; S602-S642 CarbonylContact C-O 3.52Å; S602-S642 VanDerWaalsContact CA-O 3.25Å; S602-S642 WeakPolarHBondContact CA-O 3.03Å; S602-S642 WeakPolarHBondContact CB-OG 3.23Å; L603-S642 PolarHBondContact N-O 2.81Å; S642-S682 WeakPolarHBondContact CA-O 3.46Å
643	L	43.3	Very low	42.4	Very low	40 Å²	40	47.2 Å²	47.2	21%	0.209	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	118.1	170.8	-84.3	133.8	0	0	0	106.9	L603 L646 I656 S682 L683 S684	L603-L643 HydrophobicContact CB-CD2 3.89Å; L603-L643 HydrophobicContact CB-CG 4.28Å; L603-L643 HydrophobicContact CD2-CD2 3.67Å; L603-L643 HydrophobicContact CG-CD2 4.39Å; L603-L643 WeakPolarHBondContact O-CA 3.35Å; L643-L646 HydrophobicContact CD2-CD1 4.48Å; L643-I656 HydrophobicContact CD1-CD1 4.41Å; L643-S682 PolarHBondContact N-O 2.8Å; L643-L683 HydrophobicContact CB-CD2 3.8Å; L643-L683 HydrophobicContact CB-CG 4.27Å; L643-L683 HydrophobicContact CD1-CD2 4.22Å; L643-L683 WeakPolarHBondContact O-CA 3.35Å; L643-S684 PolarHBondContact O-N 2.76Å; L643-S684 VanDerWaalsContact O-N 3.08Å
644	S	42.5	Very low	43.4	Very low	37 Å²	37	46.7 Å²	46.7	26%	0.259	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	137.4	-175.4	61.1	0	0	0	0	116.1	L603 S604 G605 S684	L603-S644 PolarHBondContact O-N 2.74Å; S604-S644 CarbonylContact C-O 3.54Å; S604-S644 WeakPolarHBondContact CA-O 3.43Å; S604-S644 WeakPolarHBondContact CB-O 3.37Å; G605-S644 PolarHBondContact N-O 2.73Å; S644-S684 WeakPolarHBondContact CA-O 3.37Å; S644-S684 WeakPolarHBondContact CB-O 3.45Å
645	G	42	Very low	44.5	Very low	28 Å²	28	47.1 Å²	47.1	29%	0.289	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	77.1	53.8	-178.8	0	0	0	0	0	111.5	G605 L606 S684 G685	G605-G645 CarbonylContact C-O 3.56Å; G605-G645 WeakPolarHBondContact CA-O 3.09Å; G605-G645 PolarHBondContact N-O 2.75Å; L606-G645 PolarHBondContact N-O 3Å; G645-S684 PolarHBondContact N-O 2.95Å; G645-G685 CarbonylContact C-O 3.55Å; G645-G685 VanDerWaalsContact CA-O 3.27Å; G645-G685 WeakPolarHBondContact CA-O 3.37Å; G645-G685 PolarHBondContact N-O 3.16Å; G645-G685 VanDerWaalsContact N-O 3.16Å
646	L	48.8	Very low	45.5	Very low	2 Å²	2	45.8 Å²	45.8	1%	0.01	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	99.7	165.5	-51.9	175.6	0	0	0	104.8	L606 L643 I654 G685 L686 S687 I694	L606-L646 HydrophobicContact CB-CD2 3.63Å; L606-L646 HydrophobicContact CD1-CD2 3.2Å; L606-L646 HydrophobicContact CG-CD2 3.43Å; L606-L646 VanDerWaalsContact CG-CD2 3.43Å; L643-L646 HydrophobicContact CD2-CD1 4.48Å; L646-I654 HydrophobicContact CB-CD1 4.47Å; L646-I654 HydrophobicContact CD1-CD1 3.49Å; L646-I654 VanDerWaalsContact CD1-CD1 3.49Å; L646-I654 HydrophobicContact CD2-CD1 4.19Å; L646-I654 HydrophobicContact CG-CD1 4.26Å; L646-G685 PolarHBondContact N-O 2.88Å; L646-L686 HydrophobicContact CB-CD2 3.67Å; L646-L686 HydrophobicContact CD1-CD2 3.44Å; L646-L686 VanDerWaalsContact CD1-CD2 3.44Å; L646-L686 HydrophobicContact CG-CD2 3.84Å; L646-L686 WeakPolarHBondContact O-CA 3.34Å; L646-S687 PolarHBondContact O-N 2.96Å; L646-I694 HydrophobicContact CD1-CD1 4.43Å
647	S	46.6	Very low	46.4	Very low	46 Å²	46	45 Å²	45	32%	0.322	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	128	-179.1	56.9	0	0	0	0	109	L606 S607 G608 Q652 S687	L606-S647 PolarHBondContact O-N 2.8Å; S607-S647 VanDerWaalsContact CA-O 3.29Å; S607-S647 WeakPolarHBondContact CA-O 3.38Å; G608-S647 PolarHBondContact N-O 2.78Å; S647-Q652 PolarHBondContact O-NE2 2.79Å; S647-S687 VanDerWaalsContact CA-O 3.27Å; S647-S687 WeakPolarHBondContact CA-O 3.34Å
648	G	46	Very low	47.1	Very low	6 Å²	6	46.8 Å²	46.8	6%	0.062	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	135.7	-176.7	0	0	0	0	0	112.1	G608 S687 G688	G608-G648 WeakPolarHBondContact O-CA 3.39Å; G648-S687 PolarHBondContact N-O 3.43Å; G648-S687 VanDerWaalsContact N-O 3.16Å; G648-G688 WeakPolarHBondContact O-CA 3.46Å
649	E	46.3	Very low	47.6	Very low	107 Å²	107	44 Å²	44	50%	0.5	26%	0.255	S	S	.	.	S	Bend	trans	-88.1	144	161.2	-70	173.6	-164.3	0	0	107.8	G608 E609	G608-E649 PolarHBondContact O-N 2.77Å; E609-E649 CarbonylContact O-C 3.47Å
650	N	51.6	Low	47.8	Very low	72 Å²	72	40.4 Å²	40.4	39%	0.385	25%	0.248	S	C	.	.	S	Bend	trans	38.6	106.6	170.7	-63.4	-29.2	0	0	0	118.6	G611 N690	G611-N650 PolarHBondContact N-O 2.77Å; N650-N690 VanDerWaalsContact OD1-CB 3.3Å; N650-N690 WeakPolarHBondContact OD1-CB 3.41Å; N650-N690 PolarHBondContact OD1-ND2 3.19Å
651	G	52.1	Low	48.2	Very low	48 Å²	48	40.9 Å²	40.9	50%	0.495	26%	0.255	S	S	.	.			trans	81.5	18.8	155.5	0	0	0	0	0	116.7
652	Q	56	Low	48.4	Very low	8 Å²	8	40.3 Å²	40.3	4%	0.037	25%	0.249	C	C	.	.			trans	-71.6	134.7	171.8	-65.2	-172.7	0.2	0	0	111.5	G608 Q612 S647 P692 G693	G608-Q652 PolarHBondContact O-NE2 2.77Å; Q612-Q652 HydrophobicContact CB-CG 4.3Å; Q612-Q652 WeakPolarHBondContact O-CA 3.45Å; S647-Q652 PolarHBondContact O-NE2 2.79Å; Q652-P692 HydrophobicContact CB-CB 4.11Å; Q652-P692 CarbonylContact O-C 3.59Å; Q652-P692 WeakPolarHBondContact O-CA 3.28Å; Q652-G693 PolarHBondContact O-N 3.01Å
653	V	58.1	Low	48.6	Very low	33 Å²	33	40.9 Å²	40.9	20%	0.2	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	129.1	179.1	-170.2	0	0	0	0	111.6	Q612 V613 I614 Y655 G693 F695	Q612-V653 PolarHBondContact O-N 2.92Å; V613-V653 CarbonylContact C-O 3.58Å; V613-V653 WeakPolarHBondContact CA-O 3.47Å; I614-V653 PolarHBondContact N-O 2.88Å; V653-Y655 HydrophobicContact CB-CE2 4.1Å; V653-Y655 HydrophobicContact CG1-CD2 3.93Å; V653-Y655 HydrophobicContact CG1-CE1 4.29Å; V653-Y655 HydrophobicContact CG1-CE2 3.26Å; V653-Y655 VanDerWaalsContact CG1-CZ 3.47Å; V653-G693 CarbonylContact C-O 3.51Å; V653-G693 WeakPolarHBondContact CA-O 3.35Å; V653-G693 WeakPolarHBondContact CG1-O 3.34Å; V653-F695 HydrophobicContact CG1-CD2 3.76Å; V653-F695 HydrophobicContact CG1-CE2 3.66Å
654	I	56.1	Low	48.4	Very low	6 Å²	6	43.8 Å²	43.8	3%	0.031	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	117.8	-179.9	-53.2	176.9	0	0	0	109.7	I614 L646 I656 G693 I694 F695	I614-I654 HydrophobicContact CB-CG1 4.36Å; I614-I654 HydrophobicContact CB-CG2 4.4Å; I614-I654 CarbonylContact O-C 3.58Å; I614-I654 WeakPolarHBondContact O-CA 3.46Å; L646-I654 HydrophobicContact CB-CD1 4.47Å; L646-I654 HydrophobicContact CD1-CD1 3.49Å; L646-I654 VanDerWaalsContact CD1-CD1 3.49Å; L646-I654 HydrophobicContact CD2-CD1 4.19Å; L646-I654 HydrophobicContact CG-CD1 4.26Å; I654-I656 HydrophobicContact CG2-CD1 4.31Å; I654-I656 HydrophobicContact CG2-CG1 4.01Å; I654-G693 PolarHBondContact N-O 2.89Å; I654-I694 HydrophobicContact CB-CG1 4.39Å; I654-I694 CarbonylContact O-C 3.56Å; I654-I694 WeakPolarHBondContact O-CA 3.27Å; I654-F695 PolarHBondContact O-N 2.99Å
655	Y	57.4	Low	48.1	Very low	84 Å²	84	44.4 Å²	44.4	33%	0.329	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	125	174.6	-63.3	-86.3	0	0	0	110.5	V613 I614 Y615 I616 V653 F695	V613-Y655 HydrophobicContact CG1-CD2 4.11Å; V613-Y655 HydrophobicContact CG1-CE2 4Å; I614-Y655 PolarHBondContact O-N 3.03Å; Y615-Y655 CarbonylContact C-O 3.57Å; Y615-Y655 WeakPolarHBondContact CA-O 3.35Å; Y615-Y655 AromaticContact CD1-CD2 3.71Å; Y615-Y655 HydrophobicContact CD1-CD2 3.71Å; Y615-Y655 AromaticContact CD1-CG 3.92Å; Y615-Y655 HydrophobicContact CD1-CG 3.92Å; Y615-Y655 AromaticContact CE1-CD2 3.26Å; Y615-Y655 HydrophobicContact CE1-CD2 3.26Å; Y615-Y655 AromaticContact CE1-CE2 3.81Å; Y615-Y655 HydrophobicContact CE1-CE2 3.81Å; Y615-Y655 AromaticContact CE1-CG 3.75Å; Y615-Y655 HydrophobicContact CE1-CG 3.75Å; Y615-Y655 AromaticContact CZ-CD2 3.81Å; I616-Y655 PolarHBondContact N-O 2.88Å; V653-Y655 HydrophobicContact CB-CE2 4.1Å; V653-Y655 HydrophobicContact CG1-CD2 3.93Å; V653-Y655 HydrophobicContact CG1-CE1 4.29Å; V653-Y655 HydrophobicContact CG1-CE2 3.26Å; V653-Y655 VanDerWaalsContact CG1-CZ 3.47Å; Y655-F695 CarbonylContact C-O 3.58Å; Y655-F695 WeakPolarHBondContact CA-O 3.48Å; Y655-F695 HydrophobicContact CD1-CB 3.61Å; Y655-F695 AromaticContact CD1-CD2 3.82Å; Y655-F695 HydrophobicContact CD1-CD2 3.82Å; Y655-F695 AromaticContact CD1-CG 3.96Å; Y655-F695 HydrophobicContact CD1-CG 3.96Å; Y655-F695 HydrophobicContact CE1-CB 3.96Å; Y655-F695 AromaticContact CE1-CD2 3.39Å; Y655-F695 HydrophobicContact CE1-CD2 3.39Å; Y655-F695 HydrophobicContact CE1-CE2 4.04Å; Y655-F695 AromaticContact CE1-CG 3.77Å; Y655-F695 HydrophobicContact CE1-CG 3.77Å; Y655-F695 HydrophobicContact CG-CB 4.5Å; Y655-F695 AromaticContact CZ-CD2 3.89Å
656	I	53.3	Low	47.7	Very low	11 Å²	11	51.3 Å²	51.3	6%	0.056	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	112.6	179.6	-53.8	177.6	0	0	0	109.2	I616 M618 L643 I654 F695 I696 T697	I616-I656 HydrophobicContact CB-CG1 4.38Å; I616-I656 HydrophobicContact CD1-CG1 4.37Å; I616-I656 CarbonylContact O-C 3.55Å; I616-I656 WeakPolarHBondContact O-CA 3.42Å; M618-I656 HydrophobicContact CE-CG2 3.84Å; L643-I656 HydrophobicContact CD1-CD1 4.41Å; I654-I656 HydrophobicContact CG2-CD1 4.31Å; I654-I656 HydrophobicContact CG2-CG1 4.01Å; I656-F695 PolarHBondContact N-O 3.07Å; I656-I696 HydrophobicContact CB-CG1 4.33Å; I656-I696 HydrophobicContact CB-CG2 4.48Å; I656-I696 HydrophobicContact CD1-CG1 4.39Å; I656-I696 CarbonylContact O-C 3.56Å; I656-I696 WeakPolarHBondContact O-CA 3.27Å; I656-T697 PolarHBondContact O-N 2.65Å
657	T	50.9	Low	46.9	Very low	40 Å²	40	54.4 Å²	54.4	25%	0.245	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	126.5	173.8	-60	0	0	0	0	110.7	I616 T617 M618 T697	I616-T657 PolarHBondContact O-N 3.45Å; T617-T657 CarbonylContact C-O 3.54Å; T617-T657 WeakPolarHBondContact CA-O 3.49Å; M618-T657 PolarHBondContact N-O 3.26Å; T657-T697 CarbonylContact C-O 3.52Å; T657-T697 WeakPolarHBondContact CA-O 3.17Å
658	M	49.3	Very low	46.2	Very low	69 Å²	69	59.2 Å²	59.2	34%	0.34	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	110.6	176.2	-73.1	-178.7	-87.1	0	0	110.5	M618 I696 T697 T698 N699	M618-M658 HydrophobicContact CB-CG 4.21Å; M618-M658 HydrophobicContact CE-CG 3.37Å; M618-M658 HydrophobicContact CE-SD 3.79Å; M618-M658 CarbonylContact O-C 3.56Å; M618-M658 HydrophobicContact SD-CG 4.37Å; M658-I696 HydrophobicContact CE-CG2 3.75Å; M658-T697 PolarHBondContact N-O 3.19Å; M658-T698 HydrophobicContact CB-CG2 4.14Å; M658-T698 HydrophobicContact CE-CG2 3.47Å; M658-T698 VanDerWaalsContact CE-CG2 3.47Å; M658-T698 CarbonylContact O-C 3.55Å; M658-T698 WeakPolarHBondContact O-CA 3.29Å; M658-T698 HydrophobicContact SD-CG2 4.45Å; M658-N699 PolarHBondContact O-N 2.77Å
659	N	45.7	Very low	45.4	Very low	48 Å²	48	68.5 Å²	68.5	26%	0.257	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	129.4	176	-57.4	-42.9	0	0	0	110.3	M618 N619 S620 N699	M618-N659 PolarHBondContact O-N 3.2Å; N619-N659 WeakPolarHBondContact OD1-CB 3.27Å; N619-N659 PolarHBondContact OD1-ND2 3.22Å; S620-N659 PolarHBondContact N-O 3.03Å; S620-N659 PolarHBondContact OG-O 3.02Å; N659-N699 CarbonylContact C-O 3.57Å; N659-N699 WeakPolarHBondContact CA-O 3.31Å; N659-N699 WeakPolarHBondContact OD1-CB 3.45Å; N659-N699 PolarHBondContact OD1-ND2 2.8Å
660	S	42.6	Very low	44.7	Very low	43 Å²	43	72.4 Å²	72.4	30%	0.301	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	125	175.7	53.9	0	0	0	0	112.1	S620 N699 S700 S701	S620-S660 CarbonylContact O-C 3.53Å; S620-S660 VanDerWaalsContact O-CA 3.27Å; S620-S660 WeakPolarHBondContact O-CA 3.42Å; S660-N699 PolarHBondContact N-O 3.21Å; S660-N699 PolarHBondContact OG-O 3.48Å; S660-S700 VanDerWaalsContact O-CA 3.29Å; S660-S700 WeakPolarHBondContact O-CA 3.04Å; S660-S701 PolarHBondContact O-N 3.46Å
661	S	44.6	Very low	43.7	Very low	54 Å²	54	75.7 Å²	75.7	38%	0.378	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	130.7	168.2	55.8	0	0	0	0	111.2	S620 S621 G622 S701	S620-S661 PolarHBondContact O-N 3.33Å; S621-S661 VanDerWaalsContact CA-OG 3.3Å; S621-S661 WeakPolarHBondContact CA-OG 3.46Å; S621-S661 VanDerWaalsContact CB-OG 3.26Å; S621-S661 WeakPolarHBondContact CB-OG 3.37Å; G622-S661 PolarHBondContact N-O 2.92Å; S661-S701 CarbonylContact C-O 3.57Å; S661-S701 VanDerWaalsContact CA-O 3.23Å; S661-S701 WeakPolarHBondContact CA-O 3.3Å
662	G	43.5	Very low	42.8	Very low	23 Å²	23	78.9 Å²	78.9	24%	0.237	40%	0.395	C	S	.	.	P	Polyproline II helix	trans	-66.3	161.9	176.8	0	0	0	0	0	112.8	N664 S701	G662-N664 PolarHBondContact O-N 2.69Å; G662-S701 PolarHBondContact N-O 3.33Å
663	P	44.2	Very low	41.7	Very low	54 Å²	54	81.1 Å²	81.1	35%	0.351	41%	0.409	S	S	.	.	P	Polyproline II helix	trans	-65.2	128.6	173.6	27.5	-32	0	0	0	110.5	P623 S665	P623-P663 VanDerWaalsContact O-CB 3.26Å; P623-P663 WeakPolarHBondContact O-CB 3.34Å; P663-S665 PolarHBondContact O-N 3.09Å
664	N	38.3	Very low	40.4	Very low	101 Å²	101	89.8 Å²	89.8	54%	0.54	44%	0.438	S	S	.	.			trans	-79.6	104.1	164.4	-78.9	-11.2	0	0	0	108.2	G662	G662-N664 PolarHBondContact O-N 2.69Å
665	S	36.6	Very low	39.2	Very low	50 Å²	50	96.1 Å²	96.1	35%	0.35	47%	0.471	S	S	.	.			trans	-111.9	113.6	169.2	56.9	0	0	0	0	109.4	P663 H667	P663-S665 PolarHBondContact O-N 3.09Å; S665-H667 VanDerWaalsContact C-N 3.33Å; S665-H667 PolarHBondContact O-N 3.16Å
666	Y	33.2	Very low	37.9	Very low	172 Å²	172	95.6 Å²	95.6	68%	0.675	48%	0.48	S	S	*	.			trans	-72.4	90.3	165.4	-69	-86	0	0	0	108.4	H626	H626-Y666 AromaticContact CE1-CD2 3.47Å; H626-Y666 VanDerWaalsContact CE1-CD2 3.47Å; H626-Y666 WeakPolarHBondContact CE1-CD2 3.4Å; H626-Y666 AromaticContact CE1-CE2 3.73Å; H626-Y666 AromaticContact ND1-CD2 3.78Å
667	H	31.6	Very low	36.9	Very low	67 Å²	67	97.6 Å²	97.6	31%	0.31	50%	0.504	S	S	.	.			trans	-89.1	103	172.8	-114.5	-69	0	0	0	109.2	S665 R669	S665-H667 VanDerWaalsContact C-N 3.33Å; S665-H667 PolarHBondContact O-N 3.16Å; H667-R669 PolarHBondContact ND1-O 2.99Å; H667-R669 VanDerWaalsContact ND1-O 3.15Å; H667-R669 PolarHBondContact O-N 2.94Å
668	N	33.3	Very low	36	Very low	148 Å²	148	103.7 Å²	103.7	79%	0.791	52%	0.522	S	S	*	.	S	Bend	trans	-83.1	94.3	154.2	-101.1	-12.6	0	0	0	107.2
669	R	29.4	Very low	35.4	Very low	200 Å²	200	109.5 Å²	109.5	76%	0.755	54%	0.54	S	S	*	.	S	Bend	trans	100.3	109.1	172.8	-60.2	-173.3	-93.1	-164.3	-5.8	117.2	H667	H667-R669 PolarHBondContact ND1-O 2.99Å; H667-R669 VanDerWaalsContact ND1-O 3.15Å; H667-R669 PolarHBondContact O-N 2.94Å
670	Y	30.9	Very low	34.8	Very low	190 Å²	190	111 Å²	111	75%	0.745	55%	0.548	S	S	*	.			trans	26.2	89.5	143.9	-50.2	-81.2	0	0	0	119.1
671	F	30.1	Very low	34.5	Very low	140 Å²	140	110.8 Å²	110.8	61%	0.614	55%	0.553	S	S	*	*			trans	-168.8	126.7	134	-76	-60	0	0	0	109.8	P632	P632-F671 HydrophobicContact CG-CB 4.29Å
672	P	34.4	Very low	34.2	Very low	115 Å²	115	110.9 Å²	110.9	75%	0.747	55%	0.554	S	S	*	*			trans	-73.7	140.1	-178	27.7	-33	0	0	0	113.3	R674	P672-R674 PolarHBondContact O-N 2.94Å
673	T	32.7	Very low	33.9	Very low	56 Å²	56	111 Å²	111	34%	0.344	55%	0.548	S	S	.	.			trans	-63.6	117.3	175.2	-45.3	0	0	0	0	111.4	L635 L675	L635-T673 HydrophobicContact CD1-CG2 3.79Å; L635-T673 HydrophobicContact CG-CG2 4.17Å; T673-L675 PolarHBondContact O-N 2.96Å
674	R	30.6	Very low	33.7	Very low	215 Å²	215	111.1 Å²	111.1	81%	0.811	55%	0.551	S	S	*	*			trans	-75.4	104.9	172.8	-77.2	-171.3	-179.5	-161.1	1.2	110.9	L635 P672	L635-R674 PolarHBondContact N-O 2.95Å; P672-R674 PolarHBondContact O-N 2.94Å
675	L	31	Very low	33.8	Very low	138 Å²	138	108.5 Å²	108.5	72%	0.723	55%	0.548	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.4	114.5	168.9	-71.9	165.5	0	0	0	109.6	L635 T673	L635-L675 HydrophobicContact CB-CD2 4.02Å; L635-L675 HydrophobicContact CD1-CD2 3.6Å; L635-L675 HydrophobicContact CG-CD2 4.45Å; T673-L675 PolarHBondContact O-N 2.96Å
676	S	30.3	Very low	34.3	Very low	73 Å²	73	110 Å²	110	51%	0.51	55%	0.552	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-116.3	106.6	171.2	63.6	0	0	0	0	110.3	L635 S636 G637	L635-S676 PolarHBondContact O-N 3.42Å; L635-S676 PolarHBondContact O-OG 2.8Å; S636-S676 WeakPolarHBondContact CA-O 3.17Å; G637-S676 PolarHBondContact N-O 3.43Å; G637-S676 VanDerWaalsContact N-O 3.17Å
677	G	31.7	Very low	34.6	Very low	54 Å²	54	105.4 Å²	105.4	56%	0.557	54%	0.544	S	S	*	.			trans	-158.1	122.5	-179.6	0	0	0	0	0	113.6	G637	G637-G677 WeakPolarHBondContact O-CA 3.35Å
678	R	32	Very low	35.2	Very low	168 Å²	168	103.8 Å²	103.8	63%	0.634	55%	0.546	S	S	*	.			trans	-80.5	124.5	168.1	-68.4	-170.8	-178.3	-163	1.1	109.1	R639	R639-R678 PolarHBondContact N-O 3.04Å
679	R	37.3	Very low	36	Very low	190 Å²	190	104.9 Å²	104.9	72%	0.717	55%	0.546	S	S	*	.	B	Isolated β-bridge	trans	-89.7	105.3	166.7	-61.4	179.5	-175.2	-166.5	2.1	106.8
680	N	33.1	Very low	36.9	Very low	80 Å²	80	100.3 Å²	100.3	43%	0.428	54%	0.537	S	S	.	.			trans	-117	88.2	176.8	-74.9	19.6	0	0	0	108.7	R639 N640	R639-N680 PolarHBondContact O-N 3.28Å; N640-N680 WeakPolarHBondContact CA-O 3.44Å
681	G	36.5	Very low	37.9	Very low	39 Å²	39	93.7 Å²	93.7	40%	0.402	53%	0.527	S	S	.	.			trans	-96.7	143.1	166.5	0	0	0	0	0	110.9	G641	G641-G681 CarbonylContact O-C 3.49Å; G641-G681 WeakPolarHBondContact O-CA 3.4Å
682	S	36.9	Very low	39	Very low	55 Å²	55	88.1 Å²	88.1	39%	0.385	51%	0.505	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	123	170.5	58	0	0	0	0	109	G641 S642 L643	G641-S682 PolarHBondContact O-N 3.23Å; G641-S682 VanDerWaalsContact O-N 3.15Å; S642-S682 WeakPolarHBondContact CA-O 3.46Å; L643-S682 PolarHBondContact N-O 2.8Å
683	L	38.7	Very low	40	Very low	25 Å²	25	84 Å²	84	13%	0.131	48%	0.483	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	124.3	166.2	-81.2	136.5	0	0	0	106.8	L643 L720	L643-L683 HydrophobicContact CB-CD2 3.8Å; L643-L683 HydrophobicContact CB-CG 4.27Å; L643-L683 HydrophobicContact CD1-CD2 4.22Å; L643-L683 WeakPolarHBondContact O-CA 3.35Å; L683-L720 HydrophobicContact CD1-CD2 3.72Å
684	S	39.5	Very low	40.9	Very low	57 Å²	57	83.8 Å²	83.8	40%	0.399	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	135.4	-178.9	58.2	0	0	0	0	111.9	L643 S644 G645	L643-S684 PolarHBondContact O-N 2.76Å; L643-S684 VanDerWaalsContact O-N 3.08Å; S644-S684 WeakPolarHBondContact CA-O 3.37Å; S644-S684 WeakPolarHBondContact CB-O 3.45Å; G645-S684 PolarHBondContact N-O 2.95Å
685	G	39.1	Very low	41.9	Very low	47 Å²	47	78.7 Å²	78.7	49%	0.485	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	82.7	51.6	-179.2	0	0	0	0	0	112.7	G645 L646	G645-G685 CarbonylContact C-O 3.55Å; G645-G685 VanDerWaalsContact CA-O 3.27Å; G645-G685 WeakPolarHBondContact CA-O 3.37Å; G645-G685 PolarHBondContact N-O 3.16Å; G645-G685 VanDerWaalsContact N-O 3.16Å; L646-G685 PolarHBondContact N-O 2.88Å
686	L	47.2	Very low	42.8	Very low	82 Å²	82	76.4 Å²	76.4	43%	0.429	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	115.3	162.4	-54.5	178.5	0	0	0	105.9	L646 I694	L646-L686 HydrophobicContact CB-CD2 3.67Å; L646-L686 HydrophobicContact CD1-CD2 3.44Å; L646-L686 VanDerWaalsContact CD1-CD2 3.44Å; L646-L686 HydrophobicContact CG-CD2 3.84Å; L646-L686 WeakPolarHBondContact O-CA 3.34Å; L686-I694 HydrophobicContact CD1-CD1 3.69Å; L686-I694 HydrophobicContact CD2-CD1 3.87Å; L686-I694 HydrophobicContact CG-CD1 4.44Å
687	S	41.4	Very low	43.5	Very low	74 Å²	74	76.2 Å²	76.2	52%	0.517	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	129	177.7	58.9	0	0	0	0	110.3	L646 S647 G648	L646-S687 PolarHBondContact O-N 2.96Å; S647-S687 VanDerWaalsContact CA-O 3.27Å; S647-S687 WeakPolarHBondContact CA-O 3.34Å; G648-S687 PolarHBondContact N-O 3.43Å; G648-S687 VanDerWaalsContact N-O 3.16Å
688	G	43.7	Very low	44	Very low	33 Å²	33	78.3 Å²	78.3	34%	0.34	45%	0.449	S	S	.	.			trans	-172.3	138.6	176.9	0	0	0	0	0	109.3	G648 N690	G648-G688 WeakPolarHBondContact O-CA 3.46Å; G688-N690 PolarHBondContact O-N 3.23Å
689	E	49.3	Very low	44.6	Very low	171 Å²	171	74.4 Å²	74.4	80%	0.799	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-27.5	-178	-64.9	-171.6	160.2	0	0	112.2
690	N	48.6	Very low	44.7	Very low	104 Å²	104	70.3 Å²	70.3	56%	0.556	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129	78.9	170.9	-71.6	-42.9	0	0	0	109.5	N650 G688	N650-N690 VanDerWaalsContact OD1-CB 3.3Å; N650-N690 WeakPolarHBondContact OD1-CB 3.41Å; N650-N690 PolarHBondContact OD1-ND2 3.19Å; G688-N690 PolarHBondContact O-N 3.23Å
691	G	51.1	Low	45	Very low	52 Å²	52	70.7 Å²	70.7	54%	0.536	45%	0.45	S	S	.	.			trans	-52.1	154.5	-155.6	0	0	0	0	0	117.7	G693	G691-G693 PolarHBondContact O-N 2.83Å
692	P	53.8	Low	45.1	Very low	23 Å²	23	70.7 Å²	70.7	15%	0.149	45%	0.449	C	S	.	.			trans	-66.4	130.6	-178.7	26	-33.7	0	0	0	112.2	Q652 I694	Q652-P692 HydrophobicContact CB-CB 4.11Å; Q652-P692 CarbonylContact O-C 3.59Å; Q652-P692 WeakPolarHBondContact O-CA 3.28Å; P692-I694 PolarHBondContact O-N 2.82Å
693	G	55.2	Low	44.9	Very low	28 Å²	28	76.4 Å²	76.4	29%	0.289	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	115.7	170.6	0	0	0	0	0	110.4	Q652 V653 I654 G691	Q652-G693 PolarHBondContact O-N 3.01Å; V653-G693 CarbonylContact C-O 3.51Å; V653-G693 WeakPolarHBondContact CA-O 3.35Å; V653-G693 WeakPolarHBondContact CG1-O 3.34Å; I654-G693 PolarHBondContact N-O 2.89Å; G691-G693 PolarHBondContact O-N 2.83Å
694	I	52.7	Low	44.4	Very low	52 Å²	52	81.3 Å²	81.3	27%	0.267	51%	0.506	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	115.5	178.5	-56.1	176.6	0	0	0	109.7	L646 I654 L686 P692 I696	L646-I694 HydrophobicContact CD1-CD1 4.43Å; I654-I694 HydrophobicContact CB-CG1 4.39Å; I654-I694 CarbonylContact O-C 3.56Å; I654-I694 WeakPolarHBondContact O-CA 3.27Å; L686-I694 HydrophobicContact CD1-CD1 3.69Å; L686-I694 HydrophobicContact CD2-CD1 3.87Å; L686-I694 HydrophobicContact CG-CD1 4.44Å; P692-I694 PolarHBondContact O-N 2.82Å; I694-I696 HydrophobicContact CG2-CD1 4.38Å; I694-I696 HydrophobicContact CG2-CG1 4.12Å
695	F	50.3	Low	43.9	Very low	108 Å²	108	82.6 Å²	82.6	47%	0.474	52%	0.515	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	126.9	178.6	-61	-84.2	0	0	0	110.4	V653 I654 Y655 I656	V653-F695 HydrophobicContact CG1-CD2 3.76Å; V653-F695 HydrophobicContact CG1-CE2 3.66Å; I654-F695 PolarHBondContact O-N 2.99Å; Y655-F695 CarbonylContact C-O 3.58Å; Y655-F695 WeakPolarHBondContact CA-O 3.48Å; Y655-F695 HydrophobicContact CD1-CB 3.61Å; Y655-F695 AromaticContact CD1-CD2 3.82Å; Y655-F695 HydrophobicContact CD1-CD2 3.82Å; Y655-F695 AromaticContact CD1-CG 3.96Å; Y655-F695 HydrophobicContact CD1-CG 3.96Å; Y655-F695 HydrophobicContact CE1-CB 3.96Å; Y655-F695 AromaticContact CE1-CD2 3.39Å; Y655-F695 HydrophobicContact CE1-CD2 3.39Å; Y655-F695 HydrophobicContact CE1-CE2 4.04Å; Y655-F695 AromaticContact CE1-CG 3.77Å; Y655-F695 HydrophobicContact CE1-CG 3.77Å; Y655-F695 HydrophobicContact CG-CB 4.5Å; Y655-F695 AromaticContact CZ-CD2 3.89Å; I656-F695 PolarHBondContact N-O 3.07Å
696	I	49.8	Very low	43.3	Very low	90 Å²	90	85.7 Å²	85.7	46%	0.462	53%	0.53	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	120.2	-178.2	-52.9	177.2	0	0	0	110.1	I656 M658 I694 T698	I656-I696 HydrophobicContact CB-CG1 4.33Å; I656-I696 HydrophobicContact CB-CG2 4.48Å; I656-I696 HydrophobicContact CD1-CG1 4.39Å; I656-I696 CarbonylContact O-C 3.56Å; I656-I696 WeakPolarHBondContact O-CA 3.27Å; M658-I696 HydrophobicContact CE-CG2 3.75Å; I694-I696 HydrophobicContact CG2-CD1 4.38Å; I694-I696 HydrophobicContact CG2-CG1 4.12Å; I696-T698 HydrophobicContact CG2-CG2 4.39Å
697	T	45.9	Very low	42.4	Very low	69 Å²	69	88.7 Å²	88.7	42%	0.423	55%	0.546	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	130.5	176.2	-55.3	0	0	0	0	110.1	I656 T657 M658	I656-T697 PolarHBondContact O-N 2.65Å; T657-T697 CarbonylContact C-O 3.52Å; T657-T697 WeakPolarHBondContact CA-O 3.17Å; M658-T697 PolarHBondContact N-O 3.19Å
698	T	42.9	Very low	41.7	Very low	98 Å²	98	93.3 Å²	93.3	60%	0.601	56%	0.559	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-124.6	119.1	176.6	63.6	0	0	0	0	111.6	M658 I696	M658-T698 HydrophobicContact CB-CG2 4.14Å; M658-T698 HydrophobicContact CE-CG2 3.47Å; M658-T698 VanDerWaalsContact CE-CG2 3.47Å; M658-T698 CarbonylContact O-C 3.55Å; M658-T698 WeakPolarHBondContact O-CA 3.29Å; M658-T698 HydrophobicContact SD-CG2 4.45Å; I696-T698 HydrophobicContact CG2-CG2 4.39Å
699	N	43.2	Very low	41.1	Very low	85 Å²	85	103.5 Å²	103.5	46%	0.455	59%	0.587	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-113.5	131.6	177.9	-57.1	-39.9	0	0	0	110.4	M658 N659 S660	M658-N699 PolarHBondContact O-N 2.77Å; N659-N699 CarbonylContact C-O 3.57Å; N659-N699 WeakPolarHBondContact CA-O 3.31Å; N659-N699 WeakPolarHBondContact OD1-CB 3.45Å; N659-N699 PolarHBondContact OD1-ND2 2.8Å; S660-N699 PolarHBondContact N-O 3.21Å; S660-N699 PolarHBondContact OG-O 3.48Å
700	S	40.9	Very low	40	Very low	104 Å²	104	104.1 Å²	104.1	73%	0.727	59%	0.59	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-133	120	173.1	61.6	0	0	0	0	111.5	S660	S660-S700 VanDerWaalsContact O-CA 3.29Å; S660-S700 WeakPolarHBondContact O-CA 3.04Å
701	S	38.4	Very low	39	Very low	89 Å²	89	111.3 Å²	111.3	62%	0.622	61%	0.61	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-119.2	132.7	170.7	57.1	0	0	0	0	109.1	S660 S661 G662	S660-S701 PolarHBondContact O-N 3.46Å; S661-S701 CarbonylContact C-O 3.57Å; S661-S701 VanDerWaalsContact CA-O 3.23Å; S661-S701 WeakPolarHBondContact CA-O 3.3Å; G662-S701 PolarHBondContact N-O 3.33Å
702	G	39.5	Very low	37.7	Very low	38 Å²	38	118.2 Å²	118.2	39%	0.392	63%	0.628	S	S	.	*			trans	138.8	33	173.9	0	0	0	0	0	117.8
703	Q	32.4	Very low	36.4	Very low	176 Å²	176	120.3 Å²	120.3	82%	0.822	65%	0.654	S	S	*	*			trans	-111.7	80.3	151.6	-77.5	-172.8	-21.1	0	0	108.4	S705	Q703-S705 PolarHBondContact O-N 3.25Å
704	S	26.9	Very low	34.9	Very low	127 Å²	127	125.1 Å²	125.1	89%	0.888	68%	0.677	S	S	*	*			trans	-83.7	71.3	151.7	-163.2	0	0	0	0	106.6
705	S	30.1	Very low	33.9	Very low	84 Å²	84	128 Å²	128	59%	0.587	70%	0.697	S	S	*	*			trans	-97.2	102.2	159.8	62.4	0	0	0	0	105.6	Q703 N707	Q703-S705 PolarHBondContact O-N 3.25Å; S705-N707 PolarHBondContact O-N 3.16Å
706	S	26.7	Very low	32.7	Very low	113 Å²	113	129.7 Å²	129.7	79%	0.79	71%	0.711	S	S	*	*			trans	-50.2	112.4	162.6	30.8	0	0	0	0	108.1
707	N	27.2	Very low	31.6	Very low	145 Å²	145	130.8 Å²	130.8	78%	0.775	72%	0.724	S	S	*	*			trans	43.1	112.1	166.1	-73.9	-31.2	0	0	0	118.1	S705	S705-N707 PolarHBondContact O-N 3.16Å
708	H	27.2	Very low	31	Very low	170 Å²	170	132.5 Å²	132.5	79%	0.787	73%	0.734	S	S	*	*				-168.9	129.8	113.9	-99	-63.3	0	0	0	111.3	Q710	H708-Q710 PolarHBondContact O-N 3.32Å
709	R	30	Very low	30.3	Very low	247 Å²	247	138.4 Å²	138.4	93%	0.932	75%	0.746	S	S	*	*			trans	-53.6	102.7	170.8	-71	176.6	177.4	177.7	-1	110.2
710	Q	28.1	Very low	29.8	Very low	185 Å²	185	140.3 Å²	140.3	86%	0.864	76%	0.755	S	S	*	*			trans	-151	111.3	147.9	-107.9	176.6	15	0	0	109.2	H708 Q712	H708-Q710 PolarHBondContact O-N 3.32Å; Q710-Q712 PolarHBondContact O-N 2.97Å
711	R	25.8	Very low	29.2	Very low	254 Å²	254	139.2 Å²	139.2	96%	0.958	75%	0.747	S	S	*	*			trans	-63.8	91.6	-177.9	-66.4	177.6	171	-157.9	-1.9	111
712	Q	25	Very low	28.8	Very low	197 Å²	197	138.2 Å²	138.2	92%	0.921	75%	0.751	S	S	*	*			trans	-143.9	75.9	161.1	-72.2	-165.6	-1.7	0	0	111.2	Q710	Q710-Q712 PolarHBondContact O-N 2.97Å
713	G	25.9	Very low	28.3	Very low	68 Å²	68	148.9 Å²	148.9	70%	0.701	78%	0.779	S	S	*	*			trans	-133.6	61.8	168.2	0	0	0	0	0	109.7	T715	G713-T715 VanDerWaalsContact C-N 3.31Å; G713-T715 PolarHBondContact O-N 3.18Å
714	V	25	Very low	28.2	Very low	128 Å²	128	143.3 Å²	143.3	78%	0.776	77%	0.77	S	S	*	*			trans	-76.1	91.9	171	-175.8	0	0	0	0	107.4	L716	V714-L716 VanDerWaalsContact C-N 3.28Å; V714-L716 HydrophobicContact CG1-CG 4.34Å; V714-L716 PolarHBondContact O-N 3.45Å
715	T	30.1	Very low	28.3	Very low	112 Å²	112	148.4 Å²	148.4	69%	0.687	77%	0.771	S	S	*	*			trans	-66.4	92	163.7	-37.4	0	0	0	0	106.7	G713	G713-T715 VanDerWaalsContact C-N 3.31Å; G713-T715 PolarHBondContact O-N 3.18Å
716	L	26.1	Very low	28.2	Very low	144 Å²	144	152.4 Å²	152.4	75%	0.754	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-58.1	127.7	173.6	-84	163	0	0	0	108.8	V714	V714-L716 VanDerWaalsContact C-N 3.28Å; V714-L716 HydrophobicContact CG1-CG 4.34Å; V714-L716 PolarHBondContact O-N 3.45Å
717	P	26.9	Very low	28.3	Very low	114 Å²	114	155.9 Å²	155.9	74%	0.74	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-60.7	144.3	179.1	-10.4	18.2	0	0	0	111	R719	P717-R719 PolarHBondContact O-N 3.09Å; P717-R719 VanDerWaalsContact O-N 3.16Å
718	T	33.3	Very low	28.4	Very low	104 Å²	104	155.3 Å²	155.3	64%	0.638	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-55.5	116.3	168.1	-49.8	0	0	0	0	108.5	L720	T718-L720 PolarHBondContact O-N 3.34Å
719	R	28.6	Very low	28.5	Very low	222 Å²	222	155.1 Å²	155.1	84%	0.838	79%	0.788	S	S	*	*			trans	-64.5	104.8	171.9	-90.1	-172.5	171.7	-168.9	-3.1	108.7	P717 S721	P717-R719 PolarHBondContact O-N 3.09Å; P717-R719 VanDerWaalsContact O-N 3.16Å; R719-S721 PolarHBondContact O-N 2.72Å
720	L	30.8	Very low	28.4	Very low	126 Å²	126	151.1 Å²	151.1	66%	0.66	78%	0.78	S	S	*	*			trans	-78.1	105.9	164.3	-65.4	170.5	0	0	0	107	L683 T718	L683-L720 HydrophobicContact CD1-CD2 3.72Å; T718-L720 PolarHBondContact O-N 3.34Å
721	S	30.3	Very low	28.4	Very low	80 Å²	80	150 Å²	150	56%	0.559	78%	0.779	S	S	*	*			trans	-102	78.3	170.7	56.6	0	0	0	0	108.6	R719	R719-S721 PolarHBondContact O-N 2.72Å
722	G	30.1	Very low	28.5	Very low	68 Å²	68	146.1 Å²	146.1	70%	0.701	78%	0.776	S	S	*	*			trans	-156.3	111.5	173.1	0	0	0	0	0	108.9
723	R	27.3	Very low	28.6	Very low	262 Å²	262	145.7 Å²	145.7	99%	0.989	77%	0.774	S	S	*	*			trans	-71.8	128.9	166.9	-74.8	-177.1	-179.4	-172.5	-0.5	107.3
724	G	30.4	Very low	28.6	Very low	60 Å²	60	153.7 Å²	153.7	62%	0.619	78%	0.783	S	S	*	*			trans	157.8	92.7	172.6	0	0	0	0	0	111.4
725	Y	28.8	Very low	29	Very low	233 Å²	233	159.5 Å²	159.5	91%	0.914	81%	0.809	S	S	*	*			trans	46.5	89.3	157.9	-52.7	-78.1	0	0	0	117.2
726	M	28.9	Very low	28.9	Very low	169 Å²	169	161.9 Å²	161.9	83%	0.833	82%	0.815	S	S	*	*			trans	-79.6	110.2	147.2	-75.3	-175.3	164.4	0	0	106	D728	M726-D728 PolarHBondContact O-N 3.32Å
727	E	28.4	Very low	29.1	Very low	185 Å²	185	162.8 Å²	162.8	86%	0.864	82%	0.818	S	S	*	*			trans	-75.1	111.6	171.6	-141.5	171.3	-167.1	0	0	107.6	N729	E727-N729 PolarHBondContact O-N 2.86Å
728	D	30.5	Very low	29.2	Very low	133 Å²	133	165.6 Å²	165.6	71%	0.711	82%	0.822	S	S	*	*			trans	-65.7	96.1	179.3	-78.1	-37.3	0	0	0	110	M726 H730	M726-D728 PolarHBondContact O-N 3.32Å; D728-H730 PolarHBondContact O-N 3.01Å
729	N	28.7	Very low	29	Very low	167 Å²	167	169.2 Å²	169.2	89%	0.893	83%	0.833	S	S	*	*			trans	-70.9	72.8	161.2	-91.4	-47.2	0	0	0	109.4	E727	E727-N729 PolarHBondContact O-N 2.86Å
730	H	27.1	Very low	29	Very low	163 Å²	163	165.9 Å²	165.9	76%	0.755	83%	0.833	S	S	*	*			trans	-104.2	64.2	171.5	-98	-65.6	0	0	0	110.2	D728	D728-H730 PolarHBondContact O-N 3.01Å
731	L	28	Very low	28.9	Very low	161 Å²	161	168.5 Å²	168.5	84%	0.843	84%	0.844	S	S	*	*			trans	-144.9	94	167.5	-97.4	164.6	0	0	0	109.2
732	L	28.4	Very low	28.8	Very low	173 Å²	173	174.9 Å²	174.9	91%	0.906	87%	0.865	S	S	*	*	S	Bend	trans	155.9	66.8	150.2	-86.3	154.6	0	0	0	109.5
733	Q	26.4	Very low	28.7	Very low	187 Å²	187	183.1 Å²	183.1	87%	0.874	88%	0.877	S	S	*	*	S	Bend	trans	-166.7	85.5	156.5	-112	177.6	45.4	0	0	108.6
734	R	26	Very low	28.8	Very low	237 Å²	237	176.5 Å²	176.5	89%	0.894	87%	0.868	S	S	*	*			trans	164.1	130.8	140.1	-92.3	168.6	-170	-141.1	2.6	110.3
735	L	33.9	Very low	28.6	Very low	250 Å²	250	187.1 Å²	187.1	100%	1.309	89%	0.89	S	S	*	*			trans	73.9	0	-178.7	-54.2	168.2	0	0	0	113.1

Retrieved 735 of 735 residues in 882.7 ms (Link to these results)

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