A0A3Q0KP10_SCHMA Loading...

Putative shoc2

AlphaFold DB , UniProt , Accession A0A3Q0KP10, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 589 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	27.3	Very low	31.9	Very low	231 Å²	231	156.1 Å²	156.1	100%	1.138	78%	0.778	S	S	*	*				0	93.9	0	-73.3	-78.3	-178.9	0	0	108.8	R3	M1-R3 PolarHBondContact O-N 2.79Å
2	P	32.8	Very low	32.4	Very low	130 Å²	130	155.7 Å²	155.7	84%	0.844	77%	0.772	S	S	*	*			trans	-69.9	130.1	170.7	-3.6	21	0	0	0	108.2	Q4	P2-Q4 PolarHBondContact O-N 2.87Å; P2-Q4 VanDerWaalsContact O-N 3.1Å
3	R	27.6	Very low	32.8	Very low	240 Å²	240	152.2 Å²	152.2	91%	0.906	76%	0.758	S	S	*	*			trans	-57.7	112.9	177.8	-78	175.9	166.8	173.9	-4.6	109.6	M1 R5	M1-R3 PolarHBondContact O-N 2.79Å; R3-R5 PolarHBondContact O-N 3.46Å
4	Q	27.1	Very low	33.3	Very low	193 Å²	193	150.7 Å²	150.7	90%	0.902	75%	0.745	S	S	*	*			trans	-57.7	108.5	163.2	-77	-179.7	-19.8	0	0	107.9	P2 S6	P2-Q4 PolarHBondContact O-N 2.87Å; P2-Q4 VanDerWaalsContact O-N 3.1Å; Q4-S6 PolarHBondContact O-N 3.18Å
5	R	28.6	Very low	33.8	Very low	226 Å²	226	144.2 Å²	144.2	85%	0.853	73%	0.725	S	S	*	*			trans	-66.5	113.8	166.1	-84	-178.7	171.6	174.3	-1.3	107	R3 Y7	R3-R5 PolarHBondContact O-N 3.46Å; R5-Y7 PolarHBondContact O-N 2.93Å
6	S	27.6	Very low	34.1	Very low	99 Å²	99	144.2 Å²	144.2	69%	0.692	72%	0.718	S	S	*	*			trans	-61.1	117	167.8	42.3	0	0	0	0	109	Q4 T8	Q4-S6 PolarHBondContact O-N 3.18Å; S6-T8 PolarHBondContact O-N 3.07Å
7	Y	30.8	Very low	34.6	Very low	208 Å²	208	139.4 Å²	139.4	82%	0.816	70%	0.702	S	S	*	*			trans	-70.5	95.9	169.7	-77	-97.8	0	0	0	108.3	R5	R5-Y7 PolarHBondContact O-N 2.93Å
8	T	31.1	Very low	35	Very low	100 Å²	100	136.6 Å²	136.6	61%	0.613	69%	0.693	S	S	*	*			trans	-85.1	124.2	172.6	47.7	0	0	0	0	110.2	S6 T10	S6-T8 PolarHBondContact O-N 3.07Å; T8-T10 PolarHBondContact O-N 3.08Å; T8-T10 PolarHBondContact O-OG1 3.21Å; T8-T10 VanDerWaalsContact O-OG1 3.11Å
9	S	38.5	Very low	35.6	Very low	108 Å²	108	134.2 Å²	134.2	76%	0.755	68%	0.682	S	S	*	*	S	Bend	trans	18.9	10.4	162.8	88.4	0	0	0	0	123.6
10	T	39.3	Very low	35.9	Very low	90 Å²	90	134.8 Å²	134.8	55%	0.552	68%	0.68	S	S	*	*			trans	-88	-11	-177.7	47.8	0	0	0	0	113.1	T8 K14	T8-T10 PolarHBondContact O-N 3.08Å; T8-T10 PolarHBondContact O-OG1 3.21Å; T8-T10 VanDerWaalsContact O-OG1 3.11Å; T10-K14 PolarHBondContact O-N 3.31Å
11	D	39.7	Very low	36.3	Very low	92 Å²	92	134.7 Å²	134.7	49%	0.492	68%	0.677	S	S	.	*	H	α-helix	trans	-76.7	-25.2	-180	-79.3	-31	0	0	0	114.3	D13 K14 A15	D11-D13 VanDerWaalsContact C-N 3.35Å; D11-K14 PolarHBondContact O-N 3.36Å; D11-A15 WeakPolarHBondContact O-CB 3.47Å; D11-A15 PolarHBondContact O-N 3.04Å
12	Q	38.6	Very low	37	Very low	151 Å²	151	130.2 Å²	130.2	71%	0.706	65%	0.651	S	S	*	*	H	α-helix	trans	-68.4	-35.2	174.8	-77.6	-168.2	-8.2	0	0	112.2	K16	Q12-K16 WeakPolarHBondContact O-CG 3.45Å; Q12-K16 PolarHBondContact O-N 3.39Å
13	D	37.9	Very low	37.6	Very low	110 Å²	110	130.8 Å²	130.8	59%	0.588	64%	0.641	S	S	*	*	H	α-helix	trans	-78.4	-33.8	176.9	-70.8	-30.6	0	0	0	111.9	D11 K16 S17	D11-D13 VanDerWaalsContact C-N 3.35Å; D13-K16 PolarHBondContact O-N 2.99Å; D13-S17 VanDerWaalsContact O-CB 3.29Å; D13-S17 WeakPolarHBondContact O-CB 3.18Å; D13-S17 PolarHBondContact O-N 3.46Å
14	K	38.8	Very low	38.5	Very low	132 Å²	132	122.8 Å²	122.8	57%	0.574	62%	0.616	S	S	*	*	H	α-helix	trans	-63.3	-42.7	169.5	-80.9	-178.9	177.2	174.7	0	112	T10 D11 K16 S17 V18	T10-K14 PolarHBondContact O-N 3.31Å; D11-K14 PolarHBondContact O-N 3.36Å; K14-K16 PolarHBondContact O-N 2.69Å; K14-S17 PolarHBondContact O-N 3.11Å; K14-V18 WeakPolarHBondContact O-CB 3.33Å; K14-V18 VanDerWaalsContact O-CG2 3.26Å; K14-V18 WeakPolarHBondContact O-CG2 3.28Å; K14-V18 PolarHBondContact O-N 3.27Å
15	A	40.7	Very low	39.3	Very low	53 Å²	53	121.4 Å²	121.4	44%	0.438	61%	0.607	S	S	.	*	H	α-helix	trans	-62.9	-39.5	177.2	0	0	0	0	0	112.6	D11 N19	D11-A15 WeakPolarHBondContact O-CB 3.47Å; D11-A15 PolarHBondContact O-N 3.04Å; A15-N19 WeakPolarHBondContact O-CB 3.43Å; A15-N19 PolarHBondContact O-N 3.22Å; A15-N19 VanDerWaalsContact O-N 3.16Å
16	K	39.5	Very low	39.8	Very low	144 Å²	144	116.6 Å²	116.6	63%	0.626	59%	0.594	S	S	*	*	H	α-helix	trans	-66.9	-39.7	173	-74.3	177.6	-177.5	171.2	0	112.3	Q12 D13 K14 K20	Q12-K16 WeakPolarHBondContact O-CG 3.45Å; Q12-K16 PolarHBondContact O-N 3.39Å; D13-K16 PolarHBondContact O-N 2.99Å; K14-K16 PolarHBondContact O-N 2.69Å; K16-K20 WeakPolarHBondContact O-CB 3.32Å; K16-K20 PolarHBondContact O-N 3.07Å
17	S	41.4	Very low	40.5	Very low	63 Å²	63	115.1 Å²	115.1	44%	0.441	57%	0.574	S	S	.	*	H	α-helix	trans	-64.9	-49	177.7	-179.2	0	0	0	0	112.2	D13 K14 N19 K20 E21	D13-S17 VanDerWaalsContact O-CB 3.29Å; D13-S17 WeakPolarHBondContact O-CB 3.18Å; D13-S17 PolarHBondContact O-N 3.46Å; K14-S17 PolarHBondContact O-N 3.11Å; S17-N19 VanDerWaalsContact C-N 3.34Å; S17-N19 PolarHBondContact O-N 3.35Å; S17-K20 PolarHBondContact O-N 2.97Å; S17-K20 VanDerWaalsContact O-N 3.13Å; S17-E21 PolarHBondContact O-N 3.08Å
18	V	43.2	Very low	40.9	Very low	88 Å²	88	112 Å²	112	53%	0.533	57%	0.565	S	S	.	*	H	α-helix	trans	-63.6	-38.7	179.8	174.7	0	0	0	0	111.1	K14 E21 F22	K14-V18 WeakPolarHBondContact O-CB 3.33Å; K14-V18 VanDerWaalsContact O-CG2 3.26Å; K14-V18 WeakPolarHBondContact O-CG2 3.28Å; K14-V18 PolarHBondContact O-N 3.27Å; V18-E21 PolarHBondContact O-N 2.97Å; V18-F22 WeakPolarHBondContact O-CB 3.22Å; V18-F22 PolarHBondContact O-N 3.32Å
19	N	46.1	Very low	41.4	Very low	91 Å²	91	111.2 Å²	111.2	49%	0.487	56%	0.563	S	S	.	*	H	α-helix	trans	-65.8	-39.2	173.8	-83.3	-20.7	0	0	0	112.4	A15 S17 F23	A15-N19 WeakPolarHBondContact O-CB 3.43Å; A15-N19 PolarHBondContact O-N 3.22Å; A15-N19 VanDerWaalsContact O-N 3.16Å; S17-N19 VanDerWaalsContact C-N 3.34Å; S17-N19 PolarHBondContact O-N 3.35Å; N19-F23 VanDerWaalsContact O-CB 3.31Å; N19-F23 WeakPolarHBondContact O-CB 3.38Å; N19-F23 PolarHBondContact O-N 3.04Å
20	K	42	Very low	41.3	Very low	147 Å²	147	108.2 Å²	108.2	64%	0.639	54%	0.538	S	S	*	.	H	α-helix	trans	-68.5	-37.3	175.9	-166.5	176.8	-176.3	177.3	0	111.9	K16 S17 N24	K16-K20 WeakPolarHBondContact O-CB 3.32Å; K16-K20 PolarHBondContact O-N 3.07Å; S17-K20 PolarHBondContact O-N 2.97Å; S17-K20 VanDerWaalsContact O-N 3.13Å; K20-N24 WeakPolarHBondContact O-CB 3.45Å; K20-N24 PolarHBondContact O-N 3.14Å; K20-N24 PolarHBondContact O-ND2 2.83Å; K20-N24 VanDerWaalsContact O-ND2 3.17Å
21	E	42.5	Very low	41.2	Very low	132 Å²	132	108.9 Å²	108.9	62%	0.617	53%	0.533	S	S	*	.	H	α-helix	trans	-68.9	-45	174.1	-82.3	-166.3	146.4	0	0	112.4	S17 V18 F23 N24 K25	S17-E21 PolarHBondContact O-N 3.08Å; V18-E21 PolarHBondContact O-N 2.97Å; E21-F23 VanDerWaalsContact C-N 3.33Å; E21-F23 PolarHBondContact O-N 2.85Å; E21-N24 PolarHBondContact O-N 2.96Å; E21-K25 WeakPolarHBondContact O-CB 3.21Å; E21-K25 PolarHBondContact O-N 3.15Å
22	F	42.6	Very low	41.2	Very low	137 Å²	137	109.2 Å²	109.2	60%	0.601	54%	0.539	S	S	*	.	H	α-helix	trans	-58.3	-45.8	175.1	-175.6	-95.5	0	0	0	111.1	V18 K25 Q26	V18-F22 WeakPolarHBondContact O-CB 3.22Å; V18-F22 PolarHBondContact O-N 3.32Å; F22-K25 PolarHBondContact O-N 2.59Å; F22-Q26 HydrophobicContact CE1-CG 4.31Å; F22-Q26 PolarHBondContact O-N 2.8Å; F22-Q26 VanDerWaalsContact O-N 3.07Å
23	F	46.5	Very low	41	Very low	142 Å²	142	109 Å²	109	62%	0.623	53%	0.533	S	S	*	.	H	α-helix	trans	-66.7	-41.7	176.4	-166	-92.8	0	0	0	112.5	N19 E21 K25 Q26 Y27	N19-F23 VanDerWaalsContact O-CB 3.31Å; N19-F23 WeakPolarHBondContact O-CB 3.38Å; N19-F23 PolarHBondContact O-N 3.04Å; E21-F23 VanDerWaalsContact C-N 3.33Å; E21-F23 PolarHBondContact O-N 2.85Å; F23-K25 VanDerWaalsContact C-N 3.25Å; F23-K25 PolarHBondContact O-N 3.4Å; F23-Q26 PolarHBondContact O-N 2.94Å; F23-Y27 VanDerWaalsContact O-CB 3.29Å; F23-Y27 WeakPolarHBondContact O-CB 3.26Å; F23-Y27 PolarHBondContact O-N 2.96Å
24	N	45.1	Very low	40.9	Very low	72 Å²	72	106.3 Å²	106.3	39%	0.385	52%	0.518	S	S	.	.	H	α-helix	trans	-64.9	-29.3	174.7	-80.5	-29.7	0	0	0	112.4	K20 E21 K28	K20-N24 WeakPolarHBondContact O-CB 3.45Å; K20-N24 PolarHBondContact O-N 3.14Å; K20-N24 PolarHBondContact O-ND2 2.83Å; K20-N24 VanDerWaalsContact O-ND2 3.17Å; E21-N24 PolarHBondContact O-N 2.96Å; N24-K28 WeakPolarHBondContact O-CB 3.33Å; N24-K28 VanDerWaalsContact O-CG 3.28Å; N24-K28 WeakPolarHBondContact O-CG 3.34Å; N24-K28 PolarHBondContact O-N 3.1Å
25	K	43.5	Very low	40.7	Very low	165 Å²	165	110.9 Å²	110.9	72%	0.717	53%	0.531	S	S	*	.	H	α-helix	trans	-72.5	-44	176.7	-152.1	176.5	-174.9	-178.2	0	110.9	E21 F22 F23 K28 S29	E21-K25 WeakPolarHBondContact O-CB 3.21Å; E21-K25 PolarHBondContact O-N 3.15Å; F22-K25 PolarHBondContact O-N 2.59Å; F23-K25 VanDerWaalsContact C-N 3.25Å; F23-K25 PolarHBondContact O-N 3.4Å; K25-K28 PolarHBondContact O-N 3.11Å; K25-S29 WeakPolarHBondContact O-CB 3.38Å; K25-S29 PolarHBondContact O-N 3.1Å
26	Q	40.9	Very low	40.3	Very low	125 Å²	125	112.9 Å²	112.9	58%	0.584	54%	0.542	S	S	*	.	H	α-helix	trans	-59.6	-47.5	170	-75.3	-88.5	-20.4	0	0	111.3	F22 F23 K28 S29 L30	F22-Q26 HydrophobicContact CE1-CG 4.31Å; F22-Q26 PolarHBondContact O-N 2.8Å; F22-Q26 VanDerWaalsContact O-N 3.07Å; F23-Q26 PolarHBondContact O-N 2.94Å; Q26-K28 PolarHBondContact O-N 3.41Å; Q26-S29 WeakPolarHBondContact O-CB 3.5Å; Q26-S29 PolarHBondContact O-N 3.12Å; Q26-L30 PolarHBondContact O-N 3.07Å
27	Y	40.9	Very low	40.1	Very low	68 Å²	68	109.4 Å²	109.4	27%	0.267	54%	0.541	S	S	.	.	H	α-helix	trans	-66.5	-36.8	178.3	-172.9	-99.6	0	0	0	113.2	F23 L30 K31	F23-Y27 VanDerWaalsContact O-CB 3.29Å; F23-Y27 WeakPolarHBondContact O-CB 3.26Å; F23-Y27 PolarHBondContact O-N 2.96Å; Y27-L30 PolarHBondContact O-N 3.4Å; Y27-K31 HydrophobicContact CD1-CD 4.46Å; Y27-K31 HydrophobicContact CE1-CD 3.88Å; Y27-K31 HydrophobicContact CE1-CG 4.36Å; Y27-K31 PolarHBondContact O-N 3.3Å
28	K	40	Very low	39.5	Very low	143 Å²	143	109.7 Å²	109.7	62%	0.622	55%	0.553	S	S	*	*	H	α-helix	trans	-69.6	-41	173.9	-84	-178.7	178.7	179.3	0	111.7	N24 K25 Q26 L30 K31 T32	N24-K28 WeakPolarHBondContact O-CB 3.33Å; N24-K28 VanDerWaalsContact O-CG 3.28Å; N24-K28 WeakPolarHBondContact O-CG 3.34Å; N24-K28 PolarHBondContact O-N 3.1Å; K25-K28 PolarHBondContact O-N 3.11Å; Q26-K28 PolarHBondContact O-N 3.41Å; K28-L30 PolarHBondContact O-N 2.64Å; K28-K31 CarbonylContact O-C 3.52Å; K28-K31 PolarHBondContact O-N 3.07Å; K28-K31 VanDerWaalsContact O-N 3.12Å; K28-T32 PolarHBondContact O-N 3.15Å; K28-T32 PolarHBondContact O-OG1 3.42Å
29	S	41.2	Very low	38.8	Very low	83 Å²	83	111 Å²	111	58%	0.58	57%	0.567	S	S	*	*	H	α-helix	trans	-56.4	-44.8	174	-172.3	0	0	0	0	110.6	K25 Q26 T32 Y33	K25-S29 WeakPolarHBondContact O-CB 3.38Å; K25-S29 PolarHBondContact O-N 3.1Å; Q26-S29 WeakPolarHBondContact O-CB 3.5Å; Q26-S29 PolarHBondContact O-N 3.12Å; S29-T32 PolarHBondContact O-N 3.02Å; S29-Y33 PolarHBondContact O-N 3.06Å; S29-Y33 VanDerWaalsContact O-N 3.09Å
30	L	36.9	Very low	38	Very low	44 Å²	44	113.5 Å²	113.5	23%	0.23	58%	0.58	C	S	.	*	H	α-helix	trans	-62.3	-45.2	174.7	-157.3	67.9	0	0	0	111.7	Q26 Y27 K28 T32 Y33 I34 F69 I77	Q26-L30 PolarHBondContact O-N 3.07Å; Y27-L30 PolarHBondContact O-N 3.4Å; K28-L30 PolarHBondContact O-N 2.64Å; L30-T32 PolarHBondContact O-N 2.91Å; L30-Y33 PolarHBondContact O-N 3.24Å; L30-I34 HydrophobicContact CG-CD1 4.18Å; L30-I34 WeakPolarHBondContact O-CB 3.28Å; L30-I34 VanDerWaalsContact O-CD1 3.25Å; L30-I34 WeakPolarHBondContact O-CD1 3.43Å; L30-I34 WeakPolarHBondContact O-CG1 3.49Å; L30-I34 PolarHBondContact O-N 3.32Å; L30-F69 HydrophobicContact CD2-CB 3.52Å; L30-F69 HydrophobicContact CD2-CG 4.4Å; L30-F69 HydrophobicContact CG-CB 4.4Å; L30-I77 HydrophobicContact CD1-CD1 3.47Å; L30-I77 VanDerWaalsContact CD1-CD1 3.47Å; L30-I77 HydrophobicContact CD1-CG1 4.02Å; L30-I77 HydrophobicContact CG-CD1 4.39Å
31	K	36.6	Very low	37.4	Very low	104 Å²	104	112.1 Å²	112.1	45%	0.452	59%	0.586	S	S	.	*	H	α-helix	trans	-63.6	-38.1	176.6	-103.7	-173.2	176.8	-176	0	114.3	Y27 K28 I34 R35	Y27-K31 HydrophobicContact CD1-CD 4.46Å; Y27-K31 HydrophobicContact CE1-CD 3.88Å; Y27-K31 HydrophobicContact CE1-CG 4.36Å; Y27-K31 PolarHBondContact O-N 3.3Å; K28-K31 CarbonylContact O-C 3.52Å; K28-K31 PolarHBondContact O-N 3.07Å; K28-K31 VanDerWaalsContact O-N 3.12Å; K31-I34 PolarHBondContact O-N 2.86Å; K31-R35 PolarHBondContact O-N 3.03Å; K31-R35 VanDerWaalsContact O-N 3.14Å
32	T	39.2	Very low	36.4	Very low	99 Å²	99	110.3 Å²	110.3	61%	0.607	58%	0.583	S	S	*	*	H	α-helix	trans	-67.8	-41.3	178.1	-55.5	0	0	0	0	110.1	K28 S29 L30 I34 R35 S36	K28-T32 PolarHBondContact O-N 3.15Å; K28-T32 PolarHBondContact O-OG1 3.42Å; S29-T32 PolarHBondContact O-N 3.02Å; L30-T32 PolarHBondContact O-N 2.91Å; T32-I34 VanDerWaalsContact C-N 3.33Å; T32-I34 PolarHBondContact O-N 3.43Å; T32-R35 PolarHBondContact O-N 2.99Å; T32-S36 PolarHBondContact O-N 3.29Å
33	Y	34.4	Very low	35.6	Very low	148 Å²	148	112.4 Å²	112.4	58%	0.58	60%	0.6	S	S	*	*	H	α-helix	trans	-63.9	-36.9	173.1	-169.8	-98.4	0	0	0	112.7	S29 L30 R35 S36 A37 I77	S29-Y33 PolarHBondContact O-N 3.06Å; S29-Y33 VanDerWaalsContact O-N 3.09Å; L30-Y33 PolarHBondContact O-N 3.24Å; Y33-R35 VanDerWaalsContact C-N 3.33Å; Y33-R35 PolarHBondContact O-N 3.27Å; Y33-S36 PolarHBondContact O-N 2.8Å; Y33-S36 PolarHBondContact O-OG 3.42Å; Y33-A37 PolarHBondContact O-N 3.09Å; Y33-I77 HydrophobicContact CD1-CD1 3.71Å; Y33-I77 HydrophobicContact CE1-CD1 4.03Å
34	I	37.3	Very low	34.4	Very low	53 Å²	53	113.5 Å²	113.5	27%	0.272	61%	0.607	S	S	.	*	H	α-helix	trans	-64	-34.8	175.5	-70.8	158.7	0	0	0	112.1	L30 K31 T32 S36 F69	L30-I34 HydrophobicContact CG-CD1 4.18Å; L30-I34 WeakPolarHBondContact O-CB 3.28Å; L30-I34 VanDerWaalsContact O-CD1 3.25Å; L30-I34 WeakPolarHBondContact O-CD1 3.43Å; L30-I34 WeakPolarHBondContact O-CG1 3.49Å; L30-I34 PolarHBondContact O-N 3.32Å; K31-I34 PolarHBondContact O-N 2.86Å; T32-I34 VanDerWaalsContact C-N 3.33Å; T32-I34 PolarHBondContact O-N 3.43Å; I34-S36 VanDerWaalsContact C-N 3.33Å; I34-F69 HydrophobicContact CD1-CD1 3.63Å; I34-F69 HydrophobicContact CD1-CD2 3.75Å; I34-F69 HydrophobicContact CD1-CE1 3.55Å; I34-F69 HydrophobicContact CD1-CE2 3.69Å; I34-F69 HydrophobicContact CD1-CG 3.73Å; I34-F69 HydrophobicContact CD1-CZ 3.59Å; I34-F69 HydrophobicContact CG1-CD1 4.42Å; I34-F69 HydrophobicContact CG1-CE1 4.2Å; I34-F69 HydrophobicContact CG2-CZ 4.46Å
35	R	34.5	Very low	33.4	Very low	227 Å²	227	116 Å²	116	86%	0.857	63%	0.63	S	S	*	*	H	α-helix	trans	-70.1	-28.6	177.4	-76.6	-177.4	176	179.9	-2.7	113.1	K31 T32 Y33	K31-R35 PolarHBondContact O-N 3.03Å; K31-R35 VanDerWaalsContact O-N 3.14Å; T32-R35 PolarHBondContact O-N 2.99Å; Y33-R35 VanDerWaalsContact C-N 3.33Å; Y33-R35 PolarHBondContact O-N 3.27Å
36	S	31.8	Very low	32.4	Very low	96 Å²	96	111.1 Å²	111.1	67%	0.671	63%	0.627	S	S	*	*	H	α-helix	trans	-81.6	-19.7	178.2	44.6	0	0	0	0	114.1	T32 Y33 I34	T32-S36 PolarHBondContact O-N 3.29Å; Y33-S36 PolarHBondContact O-N 2.8Å; Y33-S36 PolarHBondContact O-OG 3.42Å; I34-S36 VanDerWaalsContact C-N 3.33Å
37	A	34.6	Very low	31.5	Very low	71 Å²	71	112.9 Å²	112.9	59%	0.587	64%	0.638	S	S	*	*	S	Bend	trans	-107.5	3.9	-169.5	0	0	0	0	0	115.5	Y33 S39	Y33-A37 PolarHBondContact O-N 3.09Å; A37-S39 PolarHBondContact O-N 3.22Å
38	G	29.9	Very low	30.6	Very low	68 Å²	68	115.2 Å²	115.2	70%	0.701	66%	0.663	S	S	*	*			trans	-96.6	80.2	-174.6	0	0	0	0	0	114.7
39	S	28.8	Very low	29.8	Very low	117 Å²	117	113 Å²	113	82%	0.818	67%	0.666	S	S	*	*			trans	-125.4	107.7	161.1	-62.1	0	0	0	0	109.3	A37	A37-S39 PolarHBondContact O-N 3.22Å
40	N	28.7	Very low	29	Very low	142 Å²	142	113.8 Å²	113.8	76%	0.759	67%	0.671	S	S	*	*			trans	31.3	150.7	152.3	-102	-9.8	0	0	0	121.8
41	P	29.4	Very low	28.4	Very low	118 Å²	118	120.5 Å²	120.5	77%	0.766	70%	0.701	S	S	*	*			cis	-145.4	146.1	49.6	34.1	-11.6	0	0	0	118.9
42	V	22.4	Very low	28	Very low	94 Å²	94	120.7 Å²	120.7	57%	0.57	72%	0.716	S	S	*	*			trans	20.1	118.4	133	-167.5	0	0	0	0	119.1
43	L	25.8	Very low	27.5	Very low	182 Å²	182	122.3 Å²	122.3	95%	0.953	73%	0.728	S	S	*	*			trans	-127.2	129.3	152.6	-88.8	164.9	0	0	0	109.9
44	H	20.3	Very low	27.1	Very low	164 Å²	164	119 Å²	119	76%	0.759	74%	0.739	S	S	*	*			trans	-86.3	167.9	-173.4	-97.7	-82.4	0	0	0	113.8
45	S	24.7	Very low	26.7	Very low	125 Å²	125	124.5 Å²	124.5	87%	0.874	77%	0.767	S	S	*	*			trans	85.6	137.4	164.5	78	0	0	0	0	116.3
46	G	23.4	Very low	26.5	Very low	63 Å²	63	119.7 Å²	119.7	65%	0.649	77%	0.765	S	S	*	*			cis	179.2	130.2	-1	0	0	0	0	0	107.4
47	I	21.7	Very low	26.3	Very low	161 Å²	161	118.2 Å²	118.2	83%	0.826	77%	0.765	S	S	*	*				89.6	126.1	109	-63.7	173.9	0	0	0	116.2
48	C	20.9	Very low	25.9	Very low	118 Å²	118	120.3 Å²	120.3	80%	0.797	78%	0.775	S	S	*	*			trans	67.6	145.6	157.8	-75.7	0	0	0	0	119.6
49	S	23.6	Very low	25.7	Very low	97 Å²	97	123.2 Å²	123.2	68%	0.678	78%	0.782	S	S	*	*			cis	-175.2	134.3	-0.5	43.8	0	0	0	0	105
50	S	24.5	Very low	25.6	Very low	98 Å²	98	122.1 Å²	122.1	69%	0.685	78%	0.78	S	S	*	*				123.6	138	95.5	55.4	0	0	0	0	111.8
51	Q	24.9	Very low	25.5	Very low	185 Å²	185	120.3 Å²	120.3	86%	0.864	78%	0.779	S	S	*	*			trans	74.1	136.2	163.7	-59.9	179.4	4.7	0	0	117.8
52	S	26.9	Very low	25.4	Very low	108 Å²	108	119.8 Å²	119.8	76%	0.755	78%	0.778	S	S	*	*			cis	-175.3	172.2	-14	40.4	0	0	0	0	105.8
53	P	29.4	Very low	25.8	Very low	134 Å²	134	119.7 Å²	119.7	87%	0.87	79%	0.787	S	S	*	*			trans	-95.4	155.1	-142	37.3	-35.8	0	0	0	116.9
54	G	26.6	Very low	26	Very low	78 Å²	78	116.4 Å²	116.4	80%	0.804	78%	0.775	S	S	*	*			trans	-148.3	137.4	167.9	0	0	0	0	0	111.5
55	I	29	Very low	26.7	Very low	169 Å²	169	116.7 Å²	116.7	87%	0.867	77%	0.774	S	S	*	*			trans	-84.5	163.1	-160	-78.4	169.5	0	0	0	113
56	P	30.3	Very low	27.3	Very low	125 Å²	125	117.5 Å²	117.5	81%	0.812	76%	0.761	S	S	*	*			trans	-96.1	147.2	-147.1	36	-29.5	0	0	0	114.6
57	G	25.8	Very low	28.2	Very low	65 Å²	65	115.2 Å²	115.2	67%	0.67	74%	0.738	S	S	*	*			trans	-150.8	107.6	171.3	0	0	0	0	0	111.6
58	S	26.1	Very low	29.3	Very low	115 Å²	115	108.3 Å²	108.3	80%	0.804	70%	0.703	S	S	*	*			trans	68.8	135.6	156.7	-45.7	0	0	0	0	118.1	A60	S58-A60 PolarHBondContact O-N 2.97Å
59	P	25.9	Very low	30.5	Very low	130 Å²	130	105 Å²	105	84%	0.844	68%	0.675	S	S	*	*			trans	-72.4	92.6	-175.4	30.2	-31.8	0	0	0	109.5	S61	P59-S61 PolarHBondContact O-N 3.02Å
60	A	26.7	Very low	31.6	Very low	94 Å²	94	101.7 Å²	101.7	78%	0.777	65%	0.648	S	S	*	*			trans	-55.2	110.9	158.7	0	0	0	0	0	106.2	S58 S62	S58-A60 PolarHBondContact O-N 2.97Å; A60-S62 PolarHBondContact O-N 2.91Å
61	S	27.6	Very low	32.3	Very low	104 Å²	104	103.3 Å²	103.3	73%	0.727	65%	0.645	S	S	*	*			trans	-39.9	116.2	176.3	60.9	0	0	0	0	108.2	P59 A63	P59-S61 PolarHBondContact O-N 3.02Å; S61-A63 VanDerWaalsContact C-N 3.27Å; S61-A63 PolarHBondContact O-N 3.07Å
62	S	26.8	Very low	33.1	Very low	107 Å²	107	96.5 Å²	96.5	75%	0.748	62%	0.615	S	S	*	*			trans	-55.8	102.1	172	62.3	0	0	0	0	106.3	A60 T64	A60-S62 PolarHBondContact O-N 2.91Å; S62-T64 PolarHBondContact O-N 3.13Å
63	A	30.7	Very low	33.5	Very low	92 Å²	92	97.6 Å²	97.6	76%	0.76	61%	0.612	S	S	*	*			trans	-65.7	91.5	175.4	0	0	0	0	0	104.7	S61 K65	S61-A63 VanDerWaalsContact C-N 3.27Å; S61-A63 PolarHBondContact O-N 3.07Å; A63-K65 PolarHBondContact O-N 3.22Å
64	T	30.5	Very low	34	Very low	113 Å²	113	95.7 Å²	95.7	69%	0.693	60%	0.602	S	S	*	*			trans	-50.7	118.5	174.2	25.8	0	0	0	0	106.1	S62 K66	S62-T64 PolarHBondContact O-N 3.13Å; T64-K66 VanDerWaalsContact C-N 3.29Å; T64-K66 PolarHBondContact O-N 3.02Å
65	K	34.9	Very low	34.6	Very low	170 Å²	170	93.7 Å²	93.7	74%	0.739	58%	0.581	S	S	*	*			trans	-48.4	101.1	168.1	-78.4	178.7	174.5	-178	0	106.3	A63 G67 T81	A63-K65 PolarHBondContact O-N 3.22Å; K65-G67 VanDerWaalsContact C-N 3.27Å; K65-G67 PolarHBondContact O-N 3.05Å; K65-T81 HydrophobicContact CD-CG2 3.93Å; K65-T81 HydrophobicContact CG-CG2 4.22Å
66	K	37.5	Very low	35.3	Very low	141 Å²	141	92.1 Å²	92.1	61%	0.613	57%	0.568	S	S	*	*			trans	-72.1	95.4	170.9	-86.2	-173.1	178.3	179.6	0	105	T64 V68 K82	T64-K66 VanDerWaalsContact C-N 3.29Å; T64-K66 PolarHBondContact O-N 3.02Å; K66-V68 PolarHBondContact O-N 3.01Å; K66-K82 HydrophobicContact CB-CD 4.09Å; K66-K82 VanDerWaalsContact O-CB 3.24Å; K66-K82 WeakPolarHBondContact O-CB 3.25Å; K66-K82 VanDerWaalsContact O-CG 3.25Å; K66-K82 WeakPolarHBondContact O-CG 3.49Å; K66-K82 PolarHBondContact O-N 2.86Å
67	G	41.7	Very low	35.9	Very low	15 Å²	15	88.6 Å²	88.6	16%	0.155	54%	0.541	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.6	126.8	164.7	0	0	0	0	0	108.5	K65 F69 L80	K65-G67 VanDerWaalsContact C-N 3.27Å; K65-G67 PolarHBondContact O-N 3.05Å; G67-F69 WeakPolarHBondContact O-CD2 3Å; G67-F69 WeakPolarHBondContact O-CE2 3.4Å; G67-L80 CarbonylContact C-O 3.5Å; G67-L80 VanDerWaalsContact CA-O 3.29Å; G67-L80 WeakPolarHBondContact CA-O 3.5Å
68	V	45.8	Very low	37.1	Very low	17 Å²	17	87.6 Å²	87.6	10%	0.103	52%	0.52	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	139.8	162.1	173	0	0	0	0	106.4	K66 S79 L80 K82	K66-V68 PolarHBondContact O-N 3.01Å; V68-S79 CarbonylContact O-C 3.14Å; V68-S79 WeakPolarHBondContact O-CA 3.44Å; V68-L80 HydrophobicContact CB-CB 4.45Å; V68-L80 PolarHBondContact N-O 2.99Å; V68-L80 PolarHBondContact O-N 2.95Å; V68-K82 HydrophobicContact CG2-CD 3.98Å; V68-K82 HydrophobicContact CG2-CG 3.69Å
69	F	45	Very low	37.9	Very low	48 Å²	48	85.5 Å²	85.5	21%	0.211	51%	0.505	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	129.8	-179.7	-61.3	-87.3	0	0	0	107.1	L30 I34 G67 I77 I78 S79	L30-F69 HydrophobicContact CD2-CB 3.52Å; L30-F69 HydrophobicContact CD2-CG 4.4Å; L30-F69 HydrophobicContact CG-CB 4.4Å; I34-F69 HydrophobicContact CD1-CD1 3.63Å; I34-F69 HydrophobicContact CD1-CD2 3.75Å; I34-F69 HydrophobicContact CD1-CE1 3.55Å; I34-F69 HydrophobicContact CD1-CE2 3.69Å; I34-F69 HydrophobicContact CD1-CG 3.73Å; I34-F69 HydrophobicContact CD1-CZ 3.59Å; I34-F69 HydrophobicContact CG1-CD1 4.42Å; I34-F69 HydrophobicContact CG1-CE1 4.2Å; I34-F69 HydrophobicContact CG2-CZ 4.46Å; G67-F69 WeakPolarHBondContact O-CD2 3Å; G67-F69 WeakPolarHBondContact O-CE2 3.4Å; F69-I77 HydrophobicContact CB-CG2 3.87Å; F69-I77 HydrophobicContact CD1-CG2 3.71Å; F69-I77 HydrophobicContact CG-CG2 4.22Å; F69-I78 VanDerWaalsContact CA-O 3.31Å; F69-I78 WeakPolarHBondContact CA-O 3.29Å; F69-S79 VanDerWaalsContact CE1-OG 3.3Å; F69-S79 WeakPolarHBondContact CE1-OG 3.24Å
70	Y	46.4	Very low	39.1	Very low	27 Å²	27	80.8 Å²	80.8	11%	0.106	47%	0.473	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	159.6	167.6	74.5	-86.6	0	0	0	109.8	I77 I78 L80 I103 E126 F128	Y70-I77 CarbonylContact O-C 3.07Å; Y70-I77 WeakPolarHBondContact O-CA 3.38Å; Y70-I78 HydrophobicContact CD1-CB 4.29Å; Y70-I78 HydrophobicContact CE1-CB 3.82Å; Y70-I78 HydrophobicContact CE1-CD1 4.45Å; Y70-I78 HydrophobicContact CE1-CG2 3.83Å; Y70-I78 HydrophobicContact CE2-CB 4.48Å; Y70-I78 HydrophobicContact CE2-CD1 3.94Å; Y70-I78 PolarHBondContact N-O 3.06Å; Y70-I78 PolarHBondContact O-N 2.78Å; Y70-I78 WeakPolarHBondContact OH-CD1 3.44Å; Y70-L80 HydrophobicContact CD1-CD1 4.05Å; Y70-L80 HydrophobicContact CE1-CD1 3.77Å; Y70-L80 HydrophobicContact CE1-CG 4.26Å; Y70-I103 HydrophobicContact CE1-CG2 4.35Å; Y70-I103 WeakPolarHBondContact OH-CD1 3.43Å; Y70-I103 WeakPolarHBondContact OH-CG1 3.41Å; Y70-E126 WeakPolarHBondContact CE2-OE2 3.46Å; Y70-E126 PolarHBondContact OH-OE2 2.94Å; Y70-F128 HydrophobicContact CD1-CE2 4.08Å; Y70-F128 AromaticContact CD1-CZ 3.72Å; Y70-F128 HydrophobicContact CD1-CZ 3.72Å; Y70-F128 HydrophobicContact CD2-CZ 4.14Å; Y70-F128 AromaticContact CE1-CE2 3.93Å; Y70-F128 HydrophobicContact CE1-CE2 3.93Å; Y70-F128 AromaticContact CE1-CZ 3.93Å; Y70-F128 HydrophobicContact CE1-CZ 3.93Å; Y70-F128 HydrophobicContact CE2-CZ 4.33Å; Y70-F128 AromaticContact CG-CZ 3.83Å; Y70-F128 HydrophobicContact CG-CZ 3.83Å
71	Q	39	Very low	40.1	Very low	133 Å²	133	80.9 Å²	80.9	62%	0.621	46%	0.464	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104	126.6	-177.6	-175.7	175	-10.9	0	0	108.6	K76	Q71-K76 WeakPolarHBondContact CA-O 3.45Å
72	D	43.1	Very low	41	Very low	42 Å²	42	79 Å²	79	23%	0.225	44%	0.443	C	S	.	.			trans	-81	177.2	173.4	71.7	15.9	0	0	0	112.3	S74 G75 K76 I78	D72-S74 PolarHBondContact O-N 3.1Å; D72-S74 WeakPolarHBondContact OD1-CA 3.49Å; D72-S74 WeakPolarHBondContact OD1-CB 3.31Å; D72-S74 PolarHBondContact OD1-N 3.18Å; D72-S74 PolarHBondContact OD1-OG 3.06Å; D72-S74 PolarHBondContact OD2-OG 3.2Å; D72-G75 PolarHBondContact O-N 2.9Å; D72-G75 PolarHBondContact OD1-N 2.89Å; D72-K76 PolarHBondContact N-O 3.29Å; D72-K76 WeakPolarHBondContact OD1-CB 3.36Å; D72-K76 PolarHBondContact OD1-N 3.05Å; D72-I78 HydrophobicContact CB-CD1 4.25Å
73	D	34.6	Very low	42.1	Very low	131 Å²	131	76.6 Å²	76.6	70%	0.701	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-17.3	179.9	-64.8	-23.2	0	0	0	113.6
74	S	39.8	Very low	43.1	Very low	94 Å²	94	83 Å²	83	66%	0.657	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.9	-3.3	175.7	75.9	0	0	0	0	113.5	D72 K76	D72-S74 PolarHBondContact O-N 3.1Å; D72-S74 WeakPolarHBondContact OD1-CA 3.49Å; D72-S74 WeakPolarHBondContact OD1-CB 3.31Å; D72-S74 PolarHBondContact OD1-N 3.18Å; D72-S74 PolarHBondContact OD1-OG 3.06Å; D72-S74 PolarHBondContact OD2-OG 3.2Å; S74-K76 VanDerWaalsContact C-N 3.33Å
75	G	39.5	Very low	44.3	Very low	35 Å²	35	86.2 Å²	86.2	36%	0.361	44%	0.435	S	S	.	.	S	Bend	trans	83.2	6.7	-174.2	0	0	0	0	0	114.5	D72	D72-G75 PolarHBondContact O-N 2.9Å; D72-G75 PolarHBondContact OD1-N 2.89Å
76	K	43.7	Very low	45.4	Very low	137 Å²	137	79.2 Å²	79.2	60%	0.596	41%	0.407	S	S	*	.	P	Polyproline II helix	trans	-78.4	130.3	180	-174.1	-178.4	-179.2	178.9	0	110.2	Q71 D72 S74	Q71-K76 WeakPolarHBondContact CA-O 3.45Å; D72-K76 PolarHBondContact N-O 3.29Å; D72-K76 WeakPolarHBondContact OD1-CB 3.36Å; D72-K76 PolarHBondContact OD1-N 3.05Å; S74-K76 VanDerWaalsContact C-N 3.33Å
77	I	42.1	Very low	46.7	Very low	50 Å²	50	79.9 Å²	79.9	26%	0.256	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	119.8	176	-61	169.3	0	0	0	109.2	L30 Y33 F69 Y70	L30-I77 HydrophobicContact CD1-CD1 3.47Å; L30-I77 VanDerWaalsContact CD1-CD1 3.47Å; L30-I77 HydrophobicContact CD1-CG1 4.02Å; L30-I77 HydrophobicContact CG-CD1 4.39Å; Y33-I77 HydrophobicContact CD1-CD1 3.71Å; Y33-I77 HydrophobicContact CE1-CD1 4.03Å; F69-I77 HydrophobicContact CB-CG2 3.87Å; F69-I77 HydrophobicContact CD1-CG2 3.71Å; F69-I77 HydrophobicContact CG-CG2 4.22Å; Y70-I77 CarbonylContact O-C 3.07Å; Y70-I77 WeakPolarHBondContact O-CA 3.38Å
78	I	51	Low	48.1	Very low	44 Å²	44	83.3 Å²	83.3	23%	0.226	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	125	175.6	-61.4	172.4	0	0	0	108.6	F69 Y70 D72	F69-I78 VanDerWaalsContact CA-O 3.31Å; F69-I78 WeakPolarHBondContact CA-O 3.29Å; Y70-I78 HydrophobicContact CD1-CB 4.29Å; Y70-I78 HydrophobicContact CE1-CB 3.82Å; Y70-I78 HydrophobicContact CE1-CD1 4.45Å; Y70-I78 HydrophobicContact CE1-CG2 3.83Å; Y70-I78 HydrophobicContact CE2-CB 4.48Å; Y70-I78 HydrophobicContact CE2-CD1 3.94Å; Y70-I78 PolarHBondContact N-O 3.06Å; Y70-I78 PolarHBondContact O-N 2.78Å; Y70-I78 WeakPolarHBondContact OH-CD1 3.44Å; D72-I78 HydrophobicContact CB-CD1 4.25Å
79	S	44.6	Very low	50.1	Low	71 Å²	71	85.8 Å²	85.8	50%	0.497	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	124.2	174.7	-169	0	0	0	0	110.7	V68 F69	V68-S79 CarbonylContact O-C 3.14Å; V68-S79 WeakPolarHBondContact O-CA 3.44Å; F69-S79 VanDerWaalsContact CE1-OG 3.3Å; F69-S79 WeakPolarHBondContact CE1-OG 3.24Å
80	L	50.3	Low	52.3	Low	32 Å²	32	85.2 Å²	85.2	17%	0.168	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	131.9	170.8	-68.1	167.5	0	0	0	109.1	G67 V68 Y70 K82 I103 D105 F128	G67-L80 CarbonylContact C-O 3.5Å; G67-L80 VanDerWaalsContact CA-O 3.29Å; G67-L80 WeakPolarHBondContact CA-O 3.5Å; V68-L80 HydrophobicContact CB-CB 4.45Å; V68-L80 PolarHBondContact N-O 2.99Å; V68-L80 PolarHBondContact O-N 2.95Å; Y70-L80 HydrophobicContact CD1-CD1 4.05Å; Y70-L80 HydrophobicContact CE1-CD1 3.77Å; Y70-L80 HydrophobicContact CE1-CG 4.26Å; L80-K82 PolarHBondContact O-N 2.72Å; L80-I103 HydrophobicContact CD1-CG2 4.11Å; L80-I103 HydrophobicContact CD2-CG2 4.29Å; L80-D105 HydrophobicContact CD1-CB 3.74Å; L80-F128 HydrophobicContact CD1-CD2 4.43Å; L80-F128 HydrophobicContact CD1-CE2 4.18Å
81	T	46.7	Very low	54.4	Low	95 Å²	95	83.9 Å²	83.9	58%	0.583	44%	0.441	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.9	113.5	170.6	-53.9	0	0	0	0	107.6	K65 S83	K65-T81 HydrophobicContact CD-CG2 3.93Å; K65-T81 HydrophobicContact CG-CG2 4.22Å; T81-S83 PolarHBondContact O-N 3.05Å; T81-S83 VanDerWaalsContact O-N 3.13Å
82	K	46.3	Very low	56.9	Low	65 Å²	65	78.6 Å²	78.6	28%	0.283	42%	0.419	S	S	.	.	P	Polyproline II helix	trans	-55	123.9	170	-88.1	-169	171.3	-161.4	0	108.7	K66 V68 L80 S108	K66-K82 HydrophobicContact CB-CD 4.09Å; K66-K82 VanDerWaalsContact O-CB 3.24Å; K66-K82 WeakPolarHBondContact O-CB 3.25Å; K66-K82 VanDerWaalsContact O-CG 3.25Å; K66-K82 WeakPolarHBondContact O-CG 3.49Å; K66-K82 PolarHBondContact O-N 2.86Å; V68-K82 HydrophobicContact CG2-CD 3.98Å; V68-K82 HydrophobicContact CG2-CG 3.69Å; L80-K82 PolarHBondContact O-N 2.72Å; K82-S108 PolarHBondContact NZ-OG 2.99Å; K82-S108 VanDerWaalsContact NZ-OG 3.14Å
83	S	50.4	Low	59.1	Low	57 Å²	57	82.2 Å²	82.2	40%	0.399	43%	0.432	S	S	.	.	P	Polyproline II helix	trans	-65.5	152.7	171.9	-159.8	0	0	0	0	109.7	T81 L94	T81-S83 PolarHBondContact O-N 3.05Å; T81-S83 VanDerWaalsContact O-N 3.13Å; S83-L94 WeakPolarHBondContact OG-CD2 3.42Å
84	R	53	Low	61.6	Low	227 Å²	227	77 Å²	77	86%	0.857	40%	0.404	S	S	*	.	P	Polyproline II helix	trans	-51.8	149	168.8	-69.4	177.4	175.5	172.1	-1.6	108.1	S86	R84-S86 PolarHBondContact O-N 3.36Å
85	K	54.1	Low	64.1	Low	180 Å²	180	72.5 Å²	72.5	78%	0.783	37%	0.373	S	S	*	.			trans	-39.7	122.1	168.3	-78.9	-174.3	173.7	-176	0	108	N87	K85-N87 PolarHBondContact O-N 2.99Å
86	S	58.5	Low	66.5	Low	22 Å²	22	73.8 Å²	73.8	15%	0.154	38%	0.376	C	S	.	.			trans	-63.8	135.2	173.7	52.2	0	0	0	0	107.3	R84 H88	R84-S86 PolarHBondContact O-N 3.36Å; S86-H88 WeakPolarHBondContact CB-O 3.32Å; S86-H88 PolarHBondContact O-N 2.82Å; S86-H88 PolarHBondContact OG-O 2.98Å
87	N	64.3	Low	68.7	Low	155 Å²	155	71.7 Å²	71.7	83%	0.829	37%	0.372	S	S	*	.	S	Bend	trans	-68.7	-8.4	169.5	-71.6	-0.8	0	0	0	111.7	K85	K85-N87 PolarHBondContact O-N 2.99Å
88	H	72.1	Confident	70.8	Confident	88 Å²	88	69.4 Å²	69.4	41%	0.407	36%	0.36	S	S	.	.	S	Bend	trans	-107.2	132	177	-57	-83.7	0	0	0	110.1	S86 D90 G91 S92	S86-H88 WeakPolarHBondContact CB-O 3.32Å; S86-H88 PolarHBondContact O-N 2.82Å; S86-H88 PolarHBondContact OG-O 2.98Å; H88-D90 WeakPolarHBondContact CB-OD1 3.34Å; H88-D90 PolarHBondContact O-N 2.99Å; H88-D90 VanDerWaalsContact O-N 3.16Å; H88-G91 PolarHBondContact O-N 2.91Å; H88-S92 WeakPolarHBondContact CB-OG 3.36Å
89	S	86.9	Confident	72.4	Confident	68 Å²	68	75 Å²	75	48%	0.476	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-6.3	175.5	50.7	0	0	0	0	113.6	L111 D112 S113	S89-L111 CarbonylContact O-C 3.57Å; S89-L111 VanDerWaalsContact O-CA 3.23Å; S89-L111 WeakPolarHBondContact O-CA 3.23Å; S89-L111 WeakPolarHBondContact O-CB 3.41Å; S89-D112 PolarHBondContact O-N 3.12Å; S89-S113 PolarHBondContact O-N 2.83Å
90	D	92.3	Very high	74.3	Confident	36 Å²	36	76.6 Å²	76.6	19%	0.193	39%	0.394	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.4	-2.8	-176.4	75.2	-13.1	0	0	0	114.9	H88 S92 S113 V114 S115	H88-D90 WeakPolarHBondContact CB-OD1 3.34Å; H88-D90 PolarHBondContact O-N 2.99Å; H88-D90 VanDerWaalsContact O-N 3.16Å; D90-S92 VanDerWaalsContact C-N 3.26Å; D90-S92 PolarHBondContact O-N 2.93Å; D90-S92 VanDerWaalsContact OD1-CB 3.22Å; D90-S92 WeakPolarHBondContact OD1-CB 3.23Å; D90-S92 PolarHBondContact OD1-N 3.21Å; D90-S92 PolarHBondContact OD1-OG 2.92Å; D90-S113 VanDerWaalsContact CA-O 3.32Å; D90-S113 WeakPolarHBondContact CA-O 3.3Å; D90-S113 WeakPolarHBondContact CB-OG 3.29Å; D90-V114 WeakPolarHBondContact O-CA 3Å; D90-S115 PolarHBondContact O-N 2.77Å; D90-S115 WeakPolarHBondContact OD2-CB 3.39Å
91	G	90	Very high	76.2	Confident	0 Å²	0	81.1 Å²	81.1	0%	0	41%	0.409	C	S	.	.			trans	72.3	7	-179.1	0	0	0	0	0	115.9	H88 K93 L94 I95	H88-G91 PolarHBondContact O-N 2.91Å; G91-K93 PolarHBondContact O-N 3.18Å; G91-L94 WeakPolarHBondContact O-CB 3.07Å; G91-L94 PolarHBondContact O-N 2.81Å; G91-I95 PolarHBondContact O-N 3.37Å
92	S	91.6	Very high	78.4	Confident	21 Å²	21	81.1 Å²	81.1	15%	0.147	41%	0.405	C	S	.	.	H	α-helix	trans	-46.1	-49.6	-176.5	45.4	0	0	0	0	114.5	H88 D90 L94 I95 S96	H88-S92 WeakPolarHBondContact CB-OG 3.36Å; D90-S92 VanDerWaalsContact C-N 3.26Å; D90-S92 PolarHBondContact O-N 2.93Å; D90-S92 VanDerWaalsContact OD1-CB 3.22Å; D90-S92 WeakPolarHBondContact OD1-CB 3.23Å; D90-S92 PolarHBondContact OD1-N 3.21Å; D90-S92 PolarHBondContact OD1-OG 2.92Å; S92-L94 VanDerWaalsContact C-N 3.31Å; S92-L94 PolarHBondContact O-N 2.94Å; S92-I95 WeakPolarHBondContact O-CB 3.42Å; S92-I95 PolarHBondContact O-N 2.95Å; S92-I95 VanDerWaalsContact O-N 3.15Å; S92-S96 PolarHBondContact O-N 3.13Å
93	K	88.1	Confident	80.8	Confident	118 Å²	118	80.1 Å²	80.1	51%	0.513	40%	0.402	S	S	.	.	H	α-helix	trans	-59.6	-37.4	177.9	-176.6	171.6	-177.4	170.7	0	113.5	G91 S96 D97	G91-K93 PolarHBondContact O-N 3.18Å; K93-S96 PolarHBondContact O-OG 3.29Å; K93-D97 WeakPolarHBondContact O-CB 3.33Å; K93-D97 PolarHBondContact O-N 3.45Å
94	L	88.8	Confident	82.9	Confident	21 Å²	21	77.6 Å²	77.6	11%	0.11	38%	0.384	C	S	.	.	H	α-helix	trans	-73.7	-34.8	178.2	-62.2	178.5	0	0	0	111.3	S83 G91 S92 D97 S98 L106 L109	S83-L94 WeakPolarHBondContact OG-CD2 3.42Å; G91-L94 WeakPolarHBondContact O-CB 3.07Å; G91-L94 PolarHBondContact O-N 2.81Å; S92-L94 VanDerWaalsContact C-N 3.31Å; S92-L94 PolarHBondContact O-N 2.94Å; L94-D97 PolarHBondContact O-N 3.45Å; L94-S98 VanDerWaalsContact O-CB 3.29Å; L94-S98 WeakPolarHBondContact O-CB 3.36Å; L94-S98 PolarHBondContact O-N 3.04Å; L94-S98 PolarHBondContact O-OG 2.94Å; L94-L106 HydrophobicContact CB-CD2 3.73Å; L94-L106 HydrophobicContact CD1-CD2 3.7Å; L94-L106 HydrophobicContact CG-CD2 4.37Å; L94-L109 HydrophobicContact CD1-CD1 3.45Å; L94-L109 VanDerWaalsContact CD1-CD1 3.45Å
95	I	92.3	Very high	84.7	Confident	1 Å²	1	68 Å²	68	1%	0.005	35%	0.35	C	S	.	.	H	α-helix	trans	-64.3	-46.6	175.3	-68.3	164.3	0	0	0	110.1	G91 S92 D97 S98 L104 L106 V114 D117 I118 L121	G91-I95 PolarHBondContact O-N 3.37Å; S92-I95 WeakPolarHBondContact O-CB 3.42Å; S92-I95 PolarHBondContact O-N 2.95Å; S92-I95 VanDerWaalsContact O-N 3.15Å; I95-D97 VanDerWaalsContact C-N 3.26Å; I95-D97 PolarHBondContact O-N 3.28Å; I95-S98 PolarHBondContact O-N 3.42Å; I95-S98 VanDerWaalsContact O-N 3.11Å; I95-L104 HydrophobicContact CG1-CD2 4.39Å; I95-L106 HydrophobicContact CD1-CD1 4.36Å; I95-L106 HydrophobicContact CG1-CD1 4.21Å; I95-V114 HydrophobicContact CD1-CG1 4.13Å; I95-D117 HydrophobicContact CG2-CB 4.04Å; I95-I118 HydrophobicContact CD1-CB 4.15Å; I95-I118 HydrophobicContact CD1-CD1 4.07Å; I95-I118 HydrophobicContact CG1-CD1 3.95Å; I95-L121 HydrophobicContact CG2-CD1 4.17Å; I95-L121 HydrophobicContact CG2-CG 4.38Å
96	S	90.1	Very high	86.6	Confident	61 Å²	61	59.4 Å²	59.4	43%	0.427	31%	0.313	S	S	.	.	H	α-helix	trans	-61.3	-34.3	177.7	63.7	0	0	0	0	113.1	S92 K93 S98	S92-S96 PolarHBondContact O-N 3.13Å; K93-S96 PolarHBondContact O-OG 3.29Å; S96-S98 VanDerWaalsContact C-N 3.27Å; S96-S98 PolarHBondContact O-N 2.94Å
97	D	88.4	Confident	88.3	Confident	93 Å²	93	58.5 Å²	58.5	50%	0.497	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-0.9	-179.5	-66	-5	0	0	0	113.2	K93 L94 I95 R101	K93-D97 WeakPolarHBondContact O-CB 3.33Å; K93-D97 PolarHBondContact O-N 3.45Å; L94-D97 PolarHBondContact O-N 3.45Å; I95-D97 VanDerWaalsContact C-N 3.26Å; I95-D97 PolarHBondContact O-N 3.28Å; D97-R101 PolarHBondContact O-NH2 2.71Å
98	S	87.7	Confident	89.6	Confident	2 Å²	2	53.1 Å²	53.1	1%	0.014	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.4	22	-173.8	-64.3	0	0	0	0	114.1	L94 I95 S96 S100 R101 L104	L94-S98 VanDerWaalsContact O-CB 3.29Å; L94-S98 WeakPolarHBondContact O-CB 3.36Å; L94-S98 PolarHBondContact O-N 3.04Å; L94-S98 PolarHBondContact O-OG 2.94Å; I95-S98 PolarHBondContact O-N 3.42Å; I95-S98 VanDerWaalsContact O-N 3.11Å; S96-S98 VanDerWaalsContact C-N 3.27Å; S96-S98 PolarHBondContact O-N 2.94Å; S98-S100 PolarHBondContact O-N 2.89Å; S98-R101 PolarHBondContact O-N 3.15Å; S98-L104 WeakPolarHBondContact OG-CD1 3.3Å
99	K	83.4	Confident	90.5	Very high	162 Å²	162	50.4 Å²	50.4	70%	0.704	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.4	135.4	170	-62.9	-179.2	-176.7	-179.3	0	109.6	R101	K99-R101 VanDerWaalsContact C-N 3.29Å; K99-R101 PolarHBondContact O-N 3.31Å
100	S	85	Confident	90.7	Very high	104 Å²	104	48.8 Å²	48.8	73%	0.727	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.4	6.6	-177.2	72.7	0	0	0	0	118.3	S98 H123	S98-S100 PolarHBondContact O-N 2.89Å; S100-H123 WeakPolarHBondContact CA-NE2 3.49Å; S100-H123 PolarHBondContact N-CE1 2.8Å; S100-H123 PolarHBondContact N-NE2 3.28Å
101	R	88.9	Confident	90.7	Very high	128 Å²	128	47 Å²	47	48%	0.483	25%	0.254	S	S	.	.			trans	-79.2	128	176.8	-62.4	-170	-171.4	-175.9	6.7	112.3	D97 S98 K99 I103 H123 L124	D97-R101 PolarHBondContact O-NH2 2.71Å; S98-R101 PolarHBondContact O-N 3.15Å; K99-R101 VanDerWaalsContact C-N 3.29Å; K99-R101 PolarHBondContact O-N 3.31Å; R101-I103 VanDerWaalsContact C-N 3.34Å; R101-H123 PolarHBondContact N-NE2 3.47Å; R101-H123 PolarHBondContact O-CD2 2.95Å; R101-H123 PolarHBondContact O-NE2 3.44Å; R101-L124 VanDerWaalsContact O-CD1 3.31Å; R101-L124 WeakPolarHBondContact O-CD1 3.29Å
102	L	94.7	Very high	90.9	Very high	94 Å²	94	50.8 Å²	50.8	49%	0.492	27%	0.274	S	S	.	.	S	Bend	trans	-76.2	-23	174.5	-59.7	177.8	0	0	0	113.2	H123 L124 I125 E126	L102-H123 WeakPolarHBondContact CD2-O 3.35Å; L102-L124 WeakPolarHBondContact O-CD1 3.17Å; L102-I125 HydrophobicContact CB-CD1 4.33Å; L102-I125 HydrophobicContact CD1-CD1 4.28Å; L102-I125 HydrophobicContact CD2-CD1 4.02Å; L102-I125 HydrophobicContact CD2-CG1 4.31Å; L102-I125 HydrophobicContact CG-CD1 4.44Å; L102-I125 PolarHBondContact O-N 3.14Å; L102-E126 PolarHBondContact O-N 3.38Å; L102-E126 VanDerWaalsContact O-N 3.11Å
103	I	95.3	Very high	91.1	Very high	44 Å²	44	52.2 Å²	52.2	23%	0.226	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	132.4	179.2	-61.4	135.5	0	0	0	108.6	Y70 L80 R101 E126 F128	Y70-I103 HydrophobicContact CE1-CG2 4.35Å; Y70-I103 WeakPolarHBondContact OH-CD1 3.43Å; Y70-I103 WeakPolarHBondContact OH-CG1 3.41Å; L80-I103 HydrophobicContact CD1-CG2 4.11Å; L80-I103 HydrophobicContact CD2-CG2 4.29Å; R101-I103 VanDerWaalsContact C-N 3.34Å; I103-E126 WeakPolarHBondContact CA-O 3.38Å; I103-E126 HydrophobicContact CG1-CB 4Å; I103-E126 HydrophobicContact CG2-CB 4.39Å; I103-E126 HydrophobicContact CG2-CG 4.4Å; I103-F128 HydrophobicContact CG2-CD2 4.26Å; I103-F128 HydrophobicContact CG2-CE2 3.8Å
104	L	94.5	Very high	91.5	Very high	5 Å²	5	47 Å²	47	3%	0.026	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	125.2	177.1	176.7	58.6	0	0	0	109	I95 S98 L106 I118 L121 L124 E126 L127 F128	I95-L104 HydrophobicContact CG1-CD2 4.39Å; S98-L104 WeakPolarHBondContact OG-CD1 3.3Å; L104-L106 HydrophobicContact CD1-CD2 4.08Å; L104-L106 HydrophobicContact CD1-CG 4.24Å; L104-L106 HydrophobicContact CD2-CD1 4.07Å; L104-L106 HydrophobicContact CD2-CG 4.22Å; L104-L106 HydrophobicContact CG-CD1 4.37Å; L104-L106 HydrophobicContact CG-CD2 4.36Å; L104-L106 HydrophobicContact CG-CG 3.99Å; L104-I118 HydrophobicContact CD2-CD1 3.75Å; L104-L121 HydrophobicContact CD2-CD1 3.59Å; L104-L124 HydrophobicContact CB-CD1 3.58Å; L104-L124 HydrophobicContact CB-CD2 4.09Å; L104-E126 PolarHBondContact N-O 3.47Å; L104-L127 HydrophobicContact CB-CD1 4.07Å; L104-L127 HydrophobicContact CD2-CD1 4.08Å; L104-L127 HydrophobicContact CG-CD1 4.05Å; L104-L127 WeakPolarHBondContact O-CA 3.19Å; L104-F128 PolarHBondContact O-N 2.96Å
105	D	92.1	Very high	91.9	Very high	25 Å²	25	46.2 Å²	46.2	13%	0.134	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	111.4	177.3	179.8	8.7	0	0	0	110.5	L80 S107 F128	L80-D105 HydrophobicContact CD1-CB 3.74Å; D105-S107 WeakPolarHBondContact OD1-CB 3.39Å; D105-S107 PolarHBondContact OD1-N 2.94Å; D105-S107 PolarHBondContact OD1-OG 3.1Å; D105-F128 HydrophobicContact CB-CB 4.21Å; D105-F128 HydrophobicContact CB-CD2 4.02Å; D105-F128 HydrophobicContact CB-CG 4.47Å; D105-F128 WeakPolarHBondContact OD1-CB 3.3Å
106	L	93.9	Very high	92.1	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	28%	0.279	C	S	.	.			trans	-114.3	19.2	175	-61.4	179.2	0	0	0	111	L94 I95 L104 L109 L111 F128 L129 N132	L94-L106 HydrophobicContact CB-CD2 3.73Å; L94-L106 HydrophobicContact CD1-CD2 3.7Å; L94-L106 HydrophobicContact CG-CD2 4.37Å; I95-L106 HydrophobicContact CD1-CD1 4.36Å; I95-L106 HydrophobicContact CG1-CD1 4.21Å; L104-L106 HydrophobicContact CD1-CD2 4.08Å; L104-L106 HydrophobicContact CD1-CG 4.24Å; L104-L106 HydrophobicContact CD2-CD1 4.07Å; L104-L106 HydrophobicContact CD2-CG 4.22Å; L104-L106 HydrophobicContact CG-CD1 4.37Å; L104-L106 HydrophobicContact CG-CD2 4.36Å; L104-L106 HydrophobicContact CG-CG 3.99Å; L106-L109 HydrophobicContact CB-CD1 4.23Å; L106-L109 HydrophobicContact CD2-CD1 4.08Å; L106-L111 HydrophobicContact CB-CD1 4.02Å; L106-F128 CarbonylContact C-O 3.57Å; L106-F128 WeakPolarHBondContact CA-O 3.37Å; L106-F128 WeakPolarHBondContact CB-O 3.49Å; L106-F128 PolarHBondContact N-O 3.49Å; L106-L129 HydrophobicContact CB-CD2 3.91Å; L106-L129 HydrophobicContact CD1-CD2 3.97Å; L106-N132 PolarHBondContact O-ND2 3.29Å
107	S	92.9	Very high	92.4	Very high	3 Å²	3	51.2 Å²	51.2	2%	0.021	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	151.5	-178.6	68.1	0	0	0	0	113.5	D105 L109 F128 Y130	D105-S107 WeakPolarHBondContact OD1-CB 3.39Å; D105-S107 PolarHBondContact OD1-N 2.94Å; D105-S107 PolarHBondContact OD1-OG 3.1Å; S107-L109 PolarHBondContact O-N 3.2Å; S107-F128 PolarHBondContact N-O 3.35Å; S107-Y130 CarbonylContact C-O 3.28Å; S107-Y130 WeakPolarHBondContact CA-O 3.49Å; S107-Y130 VanDerWaalsContact CB-CE1 3.44Å; S107-Y130 VanDerWaalsContact CB-O 3.27Å; S107-Y130 WeakPolarHBondContact CB-O 3.29Å; S107-Y130 VanDerWaalsContact OG-CZ 3.32Å; S107-Y130 PolarHBondContact OG-OH 2.65Å
108	S	91.6	Very high	92.8	Very high	41 Å²	41	46.9 Å²	46.9	29%	0.287	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	55	31.9	176.6	-50.2	0	0	0	0	114.6	K82 Y130 D131	K82-S108 PolarHBondContact NZ-OG 2.99Å; K82-S108 VanDerWaalsContact NZ-OG 3.14Å; S108-Y130 PolarHBondContact N-O 2.71Å; S108-D131 WeakPolarHBondContact CA-O 3.29Å; S108-D131 WeakPolarHBondContact CB-OD2 3.45Å; S108-D131 PolarHBondContact N-O 2.75Å; S108-D131 PolarHBondContact OG-OD2 3.22Å
109	L	91	Very high	93.2	Very high	31 Å²	31	47.2 Å²	47.2	16%	0.162	26%	0.264	C	S	.	.	S	Bend	trans	-97.9	-10.2	179.5	-68.1	-178.7	0	0	0	112.5	L94 L106 S107 L111 N132	L94-L109 HydrophobicContact CD1-CD1 3.45Å; L94-L109 VanDerWaalsContact CD1-CD1 3.45Å; L106-L109 HydrophobicContact CB-CD1 4.23Å; L106-L109 HydrophobicContact CD2-CD1 4.08Å; S107-L109 PolarHBondContact O-N 3.2Å; L109-L111 HydrophobicContact CB-CD2 4Å; L109-L111 HydrophobicContact CB-CG 3.88Å; L109-N132 PolarHBondContact N-OD1 3.05Å; L109-N132 VanDerWaalsContact N-OD1 3.08Å
110	G	91	Very high	93.7	Very high	34 Å²	34	43.4 Å²	43.4	35%	0.351	26%	0.258	S	S	.	.			trans	73.4	29.9	-175.9	0	0	0	0	0	112.6	N132	G110-N132 PolarHBondContact N-OD1 2.73Å
111	L	93.9	Very high	94.3	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	22%	0.224	C	C	.	.			trans	-66.3	133.5	-179.7	-57.8	-178.9	0	0	0	110.9	S89 L106 L109 N132 K133 L134	S89-L111 CarbonylContact O-C 3.57Å; S89-L111 VanDerWaalsContact O-CA 3.23Å; S89-L111 WeakPolarHBondContact O-CA 3.23Å; S89-L111 WeakPolarHBondContact O-CB 3.41Å; L106-L111 HydrophobicContact CB-CD1 4.02Å; L109-L111 HydrophobicContact CB-CD2 4Å; L109-L111 HydrophobicContact CB-CG 3.88Å; L111-N132 HydrophobicContact CB-CB 4.25Å; L111-N132 PolarHBondContact N-OD1 2.73Å; L111-K133 CarbonylContact O-C 3.45Å; L111-K133 WeakPolarHBondContact O-CA 3.31Å; L111-K133 WeakPolarHBondContact O-CB 3.49Å; L111-K133 PolarHBondContact O-N 2.98Å; L111-L134 HydrophobicContact CB-CD2 4Å
112	D	94.3	Very high	94.5	Very high	79 Å²	79	35.2 Å²	35.2	42%	0.422	22%	0.22	S	C	.	.	S	Bend	trans	-90.5	-24.6	173.7	-58.6	-49.2	0	0	0	111.1	S89 K133	S89-D112 PolarHBondContact O-N 3.12Å; D112-K133 WeakPolarHBondContact OD1-CD 3.46Å; D112-K133 IonicContact OD1-NZ 2.69Å
113	S	95.8	Very high	94.5	Very high	50 Å²	50	33 Å²	33	35%	0.35	21%	0.207	S	C	.	.	S	Bend	trans	-146.8	178.9	175.9	66.2	0	0	0	0	111.2	S89 D90 L134	S89-S113 PolarHBondContact O-N 2.83Å; D90-S113 VanDerWaalsContact CA-O 3.32Å; D90-S113 WeakPolarHBondContact CA-O 3.3Å; D90-S113 WeakPolarHBondContact CB-OG 3.29Å; S113-L134 VanDerWaalsContact C-CD2 3.45Å; S113-L134 WeakPolarHBondContact O-CD2 3.48Å
114	V	96.2	Very high	94.6	Very high	8 Å²	8	31 Å²	31	5%	0.048	20%	0.197	C	C	.	.			trans	-121.7	130.5	169.8	-178	0	0	0	0	108.1	D90 I95 I118 L129 L134 P138	D90-V114 WeakPolarHBondContact O-CA 3Å; I95-V114 HydrophobicContact CD1-CG1 4.13Å; V114-I118 HydrophobicContact CG1-CB 4.14Å; V114-I118 HydrophobicContact CG1-CG1 4.38Å; V114-I118 HydrophobicContact CG1-CG2 4.26Å; V114-L129 HydrophobicContact CG2-CD1 4.26Å; V114-L129 HydrophobicContact CG2-CD2 3.57Å; V114-L134 HydrophobicContact CG2-CD1 3.91Å; V114-L134 HydrophobicContact CG2-CD2 3.79Å; V114-P138 HydrophobicContact CB-CG 4.08Å; V114-P138 HydrophobicContact CG1-CG 4.31Å; V114-P138 WeakPolarHBondContact O-CG 3.45Å
115	S	96.4	Very high	94.8	Very high	6 Å²	6	32.8 Å²	32.8	4%	0.042	21%	0.206	C	C	.	.			trans	-57.2	135.1	178.9	-179.8	0	0	0	0	111.7	D90 D117 I118	D90-S115 PolarHBondContact O-N 2.77Å; D90-S115 WeakPolarHBondContact OD2-CB 3.39Å; S115-D117 PolarHBondContact O-N 3.33Å; S115-D117 VanDerWaalsContact O-N 3.07Å; S115-D117 PolarHBondContact OG-N 3.38Å; S115-I118 WeakPolarHBondContact O-CB 3.44Å; S115-I118 VanDerWaalsContact O-CG2 3.29Å; S115-I118 WeakPolarHBondContact O-CG2 3.22Å; S115-I118 PolarHBondContact O-N 3Å
116	P	96.9	Very high	95	Very high	68 Å²	68	31.7 Å²	31.7	44%	0.442	20%	0.2	S	C	.	.	G	3₁₀ helix	trans	-54	-23.9	172.9	-29.1	37.3	0	0	0	114.4	I118 G119 Q140	P116-I118 PolarHBondContact O-N 3.01Å; P116-G119 PolarHBondContact O-N 2.79Å; P116-G119 VanDerWaalsContact O-N 3.1Å; P116-Q140 HydrophobicContact CB-CG 4.12Å; P116-Q140 VanDerWaalsContact O-CB 3.25Å; P116-Q140 WeakPolarHBondContact O-CB 3.25Å; P116-Q140 WeakPolarHBondContact O-CG 3.5Å
117	D	95.6	Very high	95.2	Very high	99 Å²	99	31.7 Å²	31.7	53%	0.529	20%	0.2	S	C	.	.	G	3₁₀ helix	trans	-60.1	-15.1	176.6	-69.4	-17.9	0	0	0	113.1	I95 S115 G119 S120	I95-D117 HydrophobicContact CG2-CB 4.04Å; S115-D117 PolarHBondContact O-N 3.33Å; S115-D117 VanDerWaalsContact O-N 3.07Å; S115-D117 PolarHBondContact OG-N 3.38Å; D117-G119 PolarHBondContact O-N 3.16Å; D117-G119 VanDerWaalsContact O-N 3.1Å; D117-S120 WeakPolarHBondContact O-CB 3.2Å; D117-S120 PolarHBondContact O-N 2.82Å; D117-S120 PolarHBondContact O-OG 2.58Å
118	I	96.5	Very high	95.4	Very high	1 Å²	1	32 Å²	32	1%	0.005	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-51.8	-32.6	171.6	-166.5	68.9	0	0	0	111.6	I95 L104 V114 S115 P116 S120 L121 P138 L144	I95-I118 HydrophobicContact CD1-CB 4.15Å; I95-I118 HydrophobicContact CD1-CD1 4.07Å; I95-I118 HydrophobicContact CG1-CD1 3.95Å; L104-I118 HydrophobicContact CD2-CD1 3.75Å; V114-I118 HydrophobicContact CG1-CB 4.14Å; V114-I118 HydrophobicContact CG1-CG1 4.38Å; V114-I118 HydrophobicContact CG1-CG2 4.26Å; S115-I118 WeakPolarHBondContact O-CB 3.44Å; S115-I118 VanDerWaalsContact O-CG2 3.29Å; S115-I118 WeakPolarHBondContact O-CG2 3.22Å; S115-I118 PolarHBondContact O-N 3Å; P116-I118 PolarHBondContact O-N 3.01Å; I118-S120 PolarHBondContact O-N 2.99Å; I118-S120 VanDerWaalsContact O-N 3.12Å; I118-L121 HydrophobicContact CD1-CD1 3.97Å; I118-L121 WeakPolarHBondContact O-CB 3.38Å; I118-L121 PolarHBondContact O-N 3.37Å; I118-P138 HydrophobicContact CG2-CG 3.88Å; I118-L144 HydrophobicContact CG1-CD1 4.26Å; I118-L144 WeakPolarHBondContact O-CD2 3.47Å
119	G	96.5	Very high	95.6	Very high	9 Å²	9	30 Å²	30	9%	0.093	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-62.3	-18.5	178.5	0	0	0	0	0	114.7	P116 D117 L121 Q140 L143	P116-G119 PolarHBondContact O-N 2.79Å; P116-G119 VanDerWaalsContact O-N 3.1Å; D117-G119 PolarHBondContact O-N 3.16Å; D117-G119 VanDerWaalsContact O-N 3.1Å; G119-L121 PolarHBondContact O-N 3.46Å; G119-Q140 WeakPolarHBondContact CA-O 3.27Å; G119-L143 WeakPolarHBondContact O-CB 3.5Å
120	S	95.6	Very high	95.9	Very high	82 Å²	82	30.7 Å²	30.7	57%	0.573	19%	0.188	S	C	*	.	G	3₁₀ helix	trans	-71.2	-16.9	173.6	70.3	0	0	0	0	113.3	D117 I118 S122	D117-S120 WeakPolarHBondContact O-CB 3.2Å; D117-S120 PolarHBondContact O-N 2.82Å; D117-S120 PolarHBondContact O-OG 2.58Å; I118-S120 PolarHBondContact O-N 2.99Å; I118-S120 VanDerWaalsContact O-N 3.12Å; S120-S122 VanDerWaalsContact C-N 3.28Å; S120-S122 PolarHBondContact O-N 2.85Å
121	L	96	Very high	96.1	Very high	2 Å²	2	32.5 Å²	32.5	1%	0.01	19%	0.189	C	C	.	.			trans	-89.5	45.6	-177.5	-53.3	-173	0	0	0	112.7	I95 L104 I118 G119 H123 L124 L144	I95-L121 HydrophobicContact CG2-CD1 4.17Å; I95-L121 HydrophobicContact CG2-CG 4.38Å; L104-L121 HydrophobicContact CD2-CD1 3.59Å; I118-L121 HydrophobicContact CD1-CD1 3.97Å; I118-L121 WeakPolarHBondContact O-CB 3.38Å; I118-L121 PolarHBondContact O-N 3.37Å; G119-L121 PolarHBondContact O-N 3.46Å; L121-H123 PolarHBondContact O-N 2.85Å; L121-L124 HydrophobicContact CB-CB 4.45Å; L121-L124 WeakPolarHBondContact O-CB 3.15Å; L121-L124 PolarHBondContact O-N 3.26Å; L121-L144 HydrophobicContact CB-CD2 4.19Å; L121-L144 VanDerWaalsContact O-CD2 3.26Å; L121-L144 WeakPolarHBondContact O-CD2 3.45Å
122	S	94.1	Very high	96.1	Very high	58 Å²	58	33.2 Å²	33.2	41%	0.406	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-12.3	-174.9	63.1	0	0	0	0	115.8	S120 N146	S120-S122 VanDerWaalsContact C-N 3.28Å; S120-S122 PolarHBondContact O-N 2.85Å; S122-N146 WeakPolarHBondContact O-CB 3.23Å; S122-N146 PolarHBondContact O-ND2 3.02Å
123	H	94.9	Very high	96.2	Very high	49 Å²	49	35.3 Å²	35.3	23%	0.227	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86	-10.1	176.2	55	-82.8	0	0	0	113.4	S100 R101 L102 L121 I125	S100-H123 WeakPolarHBondContact CA-NE2 3.49Å; S100-H123 PolarHBondContact N-CE1 2.8Å; S100-H123 PolarHBondContact N-NE2 3.28Å; R101-H123 PolarHBondContact N-NE2 3.47Å; R101-H123 PolarHBondContact O-CD2 2.95Å; R101-H123 PolarHBondContact O-NE2 3.44Å; L102-H123 WeakPolarHBondContact CD2-O 3.35Å; L121-H123 PolarHBondContact O-N 2.85Å; H123-I125 PolarHBondContact O-N 3.45Å
124	L	97	Very high	96.3	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.182	C	C	.	.			trans	-62.5	133.1	-177	-163.3	71.8	0	0	0	111.1	R101 L102 L104 L121 L127 L144 N146 L147	R101-L124 VanDerWaalsContact O-CD1 3.31Å; R101-L124 WeakPolarHBondContact O-CD1 3.29Å; L102-L124 WeakPolarHBondContact O-CD1 3.17Å; L104-L124 HydrophobicContact CB-CD1 3.58Å; L104-L124 HydrophobicContact CB-CD2 4.09Å; L121-L124 HydrophobicContact CB-CB 4.45Å; L121-L124 WeakPolarHBondContact O-CB 3.15Å; L121-L124 PolarHBondContact O-N 3.26Å; L124-L127 HydrophobicContact CD2-CB 3.72Å; L124-L127 HydrophobicContact CD2-CD1 3.98Å; L124-L127 HydrophobicContact CD2-CD2 4.22Å; L124-L127 HydrophobicContact CD2-CG 4.18Å; L124-L144 HydrophobicContact CB-CD2 4.48Å; L124-L144 HydrophobicContact CD2-CD1 4.34Å; L124-N146 CarbonylContact O-C 3.53Å; L124-L147 HydrophobicContact CD2-CD1 4.18Å; L124-L147 HydrophobicContact CG-CD1 4.3Å; L124-L147 WeakPolarHBondContact O-CA 3.25Å; L124-L147 PolarHBondContact O-N 3.35Å; L124-L147 VanDerWaalsContact O-N 3.08Å
125	I	97.8	Very high	96.3	Very high	44 Å²	44	36.2 Å²	36.2	23%	0.226	20%	0.202	C	C	.	.	S	Bend	trans	-103.1	-33.5	176.9	-65.4	177.6	0	0	0	110.3	L102 H123 Q148 R149	L102-I125 HydrophobicContact CB-CD1 4.33Å; L102-I125 HydrophobicContact CD1-CD1 4.28Å; L102-I125 HydrophobicContact CD2-CD1 4.02Å; L102-I125 HydrophobicContact CD2-CG1 4.31Å; L102-I125 HydrophobicContact CG-CD1 4.44Å; L102-I125 PolarHBondContact O-N 3.14Å; H123-I125 PolarHBondContact O-N 3.45Å; I125-Q148 HydrophobicContact CG2-CB 4Å; I125-Q148 HydrophobicContact CG2-CG 4.03Å; I125-Q148 PolarHBondContact O-N 3.13Å; I125-R149 PolarHBondContact O-N 3Å
126	E	97.8	Very high	96.3	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.005	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	131.3	-175.6	179.5	157.4	-144.2	0	0	112.5	Y70 L102 I103 L104 F128 R149 W151	Y70-E126 WeakPolarHBondContact CE2-OE2 3.46Å; Y70-E126 PolarHBondContact OH-OE2 2.94Å; L102-E126 PolarHBondContact O-N 3.38Å; L102-E126 VanDerWaalsContact O-N 3.11Å; I103-E126 WeakPolarHBondContact CA-O 3.38Å; I103-E126 HydrophobicContact CG1-CB 4Å; I103-E126 HydrophobicContact CG2-CB 4.39Å; I103-E126 HydrophobicContact CG2-CG 4.4Å; L104-E126 PolarHBondContact N-O 3.47Å; E126-F128 HydrophobicContact CG-CD2 4.25Å; E126-F128 HydrophobicContact CG-CE2 3.59Å; E126-F128 HydrophobicContact CG-CZ 3.84Å; E126-F128 WeakPolarHBondContact OE1-CZ 3.39Å; E126-R149 WeakPolarHBondContact CA-O 3.12Å; E126-R149 HydrophobicContact CB-CB 4.18Å; E126-R149 HydrophobicContact CG-CB 3.89Å; E126-R149 IonicContact OE1-NE 3.05Å; E126-R149 PolarHBondContact OE1-NE 3.2Å; E126-R149 IonicContact OE2-CZ 3.22Å; E126-R149 IonicContact OE2-NE 2.86Å; E126-R149 PolarHBondContact OE2-NE 2.93Å; E126-R149 IonicContact OE2-NH2 2.72Å; E126-R149 PolarHBondContact OE2-NH2 2.96Å; E126-W151 PolarHBondContact OE1-NE1 3.37Å
127	L	97.5	Very high	96.4	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	119.7	-176.5	-178.5	53.9	0	0	0	110.8	L104 L124 L129 I141 L144 L147 R149 L150 W151	L104-L127 HydrophobicContact CB-CD1 4.07Å; L104-L127 HydrophobicContact CD2-CD1 4.08Å; L104-L127 HydrophobicContact CG-CD1 4.05Å; L104-L127 WeakPolarHBondContact O-CA 3.19Å; L124-L127 HydrophobicContact CD2-CB 3.72Å; L124-L127 HydrophobicContact CD2-CD1 3.98Å; L124-L127 HydrophobicContact CD2-CD2 4.22Å; L124-L127 HydrophobicContact CD2-CG 4.18Å; L127-L129 HydrophobicContact CD1-CG 4.16Å; L127-L129 HydrophobicContact CD2-CD1 3.74Å; L127-L129 HydrophobicContact CD2-CG 4.26Å; L127-L129 HydrophobicContact CG-CD1 3.95Å; L127-L129 HydrophobicContact CG-CG 3.94Å; L127-I141 HydrophobicContact CD2-CD1 4.48Å; L127-L144 HydrophobicContact CD2-CD1 3.99Å; L127-L147 HydrophobicContact CB-CD1 3.81Å; L127-R149 PolarHBondContact N-O 3.23Å; L127-L150 HydrophobicContact CB-CD1 3.97Å; L127-L150 HydrophobicContact CD2-CD1 3.98Å; L127-L150 HydrophobicContact CG-CD1 4.03Å; L127-W151 PolarHBondContact O-N 2.99Å
128	F	96.5	Very high	96.5	Very high	9 Å²	9	31.5 Å²	31.5	4%	0.039	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	121.7	171.7	-55.3	-91.7	0	0	0	110.5	Y70 L80 I103 L104 D105 L106 S107 E126 Y130 W151	Y70-F128 HydrophobicContact CD1-CE2 4.08Å; Y70-F128 AromaticContact CD1-CZ 3.72Å; Y70-F128 HydrophobicContact CD1-CZ 3.72Å; Y70-F128 HydrophobicContact CD2-CZ 4.14Å; Y70-F128 AromaticContact CE1-CE2 3.93Å; Y70-F128 HydrophobicContact CE1-CE2 3.93Å; Y70-F128 AromaticContact CE1-CZ 3.93Å; Y70-F128 HydrophobicContact CE1-CZ 3.93Å; Y70-F128 HydrophobicContact CE2-CZ 4.33Å; Y70-F128 AromaticContact CG-CZ 3.83Å; Y70-F128 HydrophobicContact CG-CZ 3.83Å; L80-F128 HydrophobicContact CD1-CD2 4.43Å; L80-F128 HydrophobicContact CD1-CE2 4.18Å; I103-F128 HydrophobicContact CG2-CD2 4.26Å; I103-F128 HydrophobicContact CG2-CE2 3.8Å; L104-F128 PolarHBondContact O-N 2.96Å; D105-F128 HydrophobicContact CB-CB 4.21Å; D105-F128 HydrophobicContact CB-CD2 4.02Å; D105-F128 HydrophobicContact CB-CG 4.47Å; D105-F128 WeakPolarHBondContact OD1-CB 3.3Å; L106-F128 CarbonylContact C-O 3.57Å; L106-F128 WeakPolarHBondContact CA-O 3.37Å; L106-F128 WeakPolarHBondContact CB-O 3.49Å; L106-F128 PolarHBondContact N-O 3.49Å; S107-F128 PolarHBondContact N-O 3.35Å; E126-F128 HydrophobicContact CG-CD2 4.25Å; E126-F128 HydrophobicContact CG-CE2 3.59Å; E126-F128 HydrophobicContact CG-CZ 3.84Å; E126-F128 WeakPolarHBondContact OE1-CZ 3.39Å; F128-Y130 HydrophobicContact CB-CD1 3.97Å; F128-Y130 HydrophobicContact CB-CE1 3.86Å; F128-Y130 AromaticContact CD1-CD1 3.98Å; F128-Y130 HydrophobicContact CD1-CD1 3.98Å; F128-Y130 AromaticContact CD1-CE1 3.57Å; F128-Y130 HydrophobicContact CD1-CE1 3.57Å; F128-Y130 HydrophobicContact CG-CD1 4.48Å; F128-Y130 HydrophobicContact CG-CE1 4.1Å; F128-W151 HydrophobicContact CD1-CB 3.85Å; F128-W151 AromaticContact CD1-CD1 3.11Å; F128-W151 HydrophobicContact CD1-CD2 4.29Å; F128-W151 AromaticContact CD1-CG 3.49Å; F128-W151 HydrophobicContact CD1-CG 3.49Å; F128-W151 VanDerWaalsContact CD1-CG 3.49Å; F128-W151 AromaticContact CD1-NE1 3.7Å; F128-W151 AromaticContact CE1-CD1 3.19Å; F128-W151 HydrophobicContact CE1-CD2 4.12Å; F128-W151 AromaticContact CE1-CE2 3.84Å; F128-W151 AromaticContact CE1-CG 3.75Å; F128-W151 HydrophobicContact CE1-CG 3.75Å; F128-W151 AromaticContact CE1-NE1 3.21Å; F128-W151 AromaticContact CG-CD1 3.78Å; F128-W151 HydrophobicContact CG-CG 4.38Å; F128-W151 AromaticContact CZ-CD1 3.88Å; F128-W151 AromaticContact CZ-NE1 3.66Å
129	L	97.3	Very high	96.5	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.005	20%	0.2	C	C	.	.			trans	-130	7.5	-180	-79.2	170.5	0	0	0	112.2	L106 V114 L127 N132 L134 L137 L150 W151 L152 N155	L106-L129 HydrophobicContact CB-CD2 3.91Å; L106-L129 HydrophobicContact CD1-CD2 3.97Å; V114-L129 HydrophobicContact CG2-CD1 4.26Å; V114-L129 HydrophobicContact CG2-CD2 3.57Å; L127-L129 HydrophobicContact CD1-CG 4.16Å; L127-L129 HydrophobicContact CD2-CD1 3.74Å; L127-L129 HydrophobicContact CD2-CG 4.26Å; L127-L129 HydrophobicContact CG-CD1 3.95Å; L127-L129 HydrophobicContact CG-CG 3.94Å; L129-N132 PolarHBondContact O-ND2 2.94Å; L129-L134 HydrophobicContact CB-CD1 4.04Å; L129-L134 HydrophobicContact CD1-CD1 4.48Å; L129-L134 HydrophobicContact CD2-CD1 4.11Å; L129-L134 HydrophobicContact CG-CD1 4.45Å; L129-L137 HydrophobicContact CD1-CD2 4.07Å; L129-L150 HydrophobicContact CD1-CD1 4.27Å; L129-W151 CarbonylContact C-O 3.24Å; L129-W151 WeakPolarHBondContact CA-O 3.49Å; L129-W151 WeakPolarHBondContact CB-O 3.35Å; L129-W151 PolarHBondContact N-O 2.89Å; L129-L152 HydrophobicContact CB-CD2 3.85Å; L129-L152 HydrophobicContact CD1-CD2 3.76Å; L129-L152 HydrophobicContact CG-CD2 4.47Å; L129-N155 PolarHBondContact O-ND2 3.17Å
130	Y	95.9	Very high	96.6	Very high	45 Å²	45	38.9 Å²	38.9	18%	0.176	21%	0.212	C	C	.	.			trans	-70.8	162.8	-174.8	69.2	-97.9	0	0	0	113.6	S107 S108 F128 N132 W151 Q153	S107-Y130 CarbonylContact C-O 3.28Å; S107-Y130 WeakPolarHBondContact CA-O 3.49Å; S107-Y130 VanDerWaalsContact CB-CE1 3.44Å; S107-Y130 VanDerWaalsContact CB-O 3.27Å; S107-Y130 WeakPolarHBondContact CB-O 3.29Å; S107-Y130 VanDerWaalsContact OG-CZ 3.32Å; S107-Y130 PolarHBondContact OG-OH 2.65Å; S108-Y130 PolarHBondContact N-O 2.71Å; F128-Y130 HydrophobicContact CB-CD1 3.97Å; F128-Y130 HydrophobicContact CB-CE1 3.86Å; F128-Y130 AromaticContact CD1-CD1 3.98Å; F128-Y130 HydrophobicContact CD1-CD1 3.98Å; F128-Y130 AromaticContact CD1-CE1 3.57Å; F128-Y130 HydrophobicContact CD1-CE1 3.57Å; F128-Y130 HydrophobicContact CG-CD1 4.48Å; F128-Y130 HydrophobicContact CG-CE1 4.1Å; Y130-N132 PolarHBondContact O-ND2 3.16Å; Y130-W151 HydrophobicContact CD1-CB 4.03Å; Y130-W151 PolarHBondContact N-O 3.06Å; Y130-W151 VanDerWaalsContact N-O 3.16Å; Y130-Q153 CarbonylContact C-O 3.2Å; Y130-Q153 WeakPolarHBondContact CA-O 3.42Å; Y130-Q153 WeakPolarHBondContact CB-O 3.25Å; Y130-Q153 HydrophobicContact CG-CG 4.47Å; Y130-Q153 VanDerWaalsContact CG-NE2 3.32Å
131	D	95	Very high	96.7	Very high	71 Å²	71	35.1 Å²	35.1	38%	0.38	19%	0.185	S	C	.	.	S	Bend	trans	55.6	52.3	-179.7	-178	32.2	0	0	0	111.5	S108 Q153 E154	S108-D131 WeakPolarHBondContact CA-O 3.29Å; S108-D131 WeakPolarHBondContact CB-OD2 3.45Å; S108-D131 PolarHBondContact N-O 2.75Å; S108-D131 PolarHBondContact OG-OD2 3.22Å; D131-Q153 PolarHBondContact N-O 2.96Å; D131-E154 VanDerWaalsContact CA-O 3.28Å; D131-E154 WeakPolarHBondContact CA-O 3.24Å; D131-E154 HydrophobicContact CB-CB 4.44Å; D131-E154 PolarHBondContact N-O 2.67Å
132	N	94.8	Very high	96.8	Very high	15 Å²	15	35.1 Å²	35.1	8%	0.08	19%	0.186	C	C	.	.	S	Bend	trans	-131.1	-167.6	175.6	-76.9	-58	0	0	0	109.1	L106 L109 G110 L111 L129 Y130 L134 E154 N155	L106-N132 PolarHBondContact O-ND2 3.29Å; L109-N132 PolarHBondContact N-OD1 3.05Å; L109-N132 VanDerWaalsContact N-OD1 3.08Å; G110-N132 PolarHBondContact N-OD1 2.73Å; L111-N132 HydrophobicContact CB-CB 4.25Å; L111-N132 PolarHBondContact N-OD1 2.73Å; L129-N132 PolarHBondContact O-ND2 2.94Å; Y130-N132 PolarHBondContact O-ND2 3.16Å; N132-L134 HydrophobicContact CB-CD1 4.5Å; N132-L134 HydrophobicContact CB-CG 4.01Å; N132-E154 PolarHBondContact N-O 3Å; N132-E154 VanDerWaalsContact N-O 3.15Å; N132-N155 WeakPolarHBondContact CA-OD1 3.34Å; N132-N155 WeakPolarHBondContact CB-OD1 3.27Å; N132-N155 PolarHBondContact O-OD1 2.94Å
133	K	95.8	Very high	96.9	Very high	123 Å²	123	36.6 Å²	36.6	54%	0.535	19%	0.188	S	C	.	.			trans	-114.3	21.8	179.7	-60.6	169.7	176.9	176.2	0	112	L111 D112 T135 N155	L111-K133 CarbonylContact O-C 3.45Å; L111-K133 WeakPolarHBondContact O-CA 3.31Å; L111-K133 WeakPolarHBondContact O-CB 3.49Å; L111-K133 PolarHBondContact O-N 2.98Å; D112-K133 WeakPolarHBondContact OD1-CD 3.46Å; D112-K133 IonicContact OD1-NZ 2.69Å; K133-T135 PolarHBondContact O-N 2.82Å; K133-N155 PolarHBondContact N-OD1 3.06Å
134	L	97.9	Very high	97.1	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.178	C	C	.	.			trans	-61.3	128.2	-172.9	-56.1	176.6	0	0	0	110.6	L111 S113 V114 L129 N132 L137 N155 S156 L157	L111-L134 HydrophobicContact CB-CD2 4Å; S113-L134 VanDerWaalsContact C-CD2 3.45Å; S113-L134 WeakPolarHBondContact O-CD2 3.48Å; V114-L134 HydrophobicContact CG2-CD1 3.91Å; V114-L134 HydrophobicContact CG2-CD2 3.79Å; L129-L134 HydrophobicContact CB-CD1 4.04Å; L129-L134 HydrophobicContact CD1-CD1 4.48Å; L129-L134 HydrophobicContact CD2-CD1 4.11Å; L129-L134 HydrophobicContact CG-CD1 4.45Å; N132-L134 HydrophobicContact CB-CD1 4.5Å; N132-L134 HydrophobicContact CB-CG 4.01Å; L134-L137 HydrophobicContact CD1-CD2 4.38Å; L134-N155 HydrophobicContact CB-CB 4.3Å; L134-N155 VanDerWaalsContact CB-OD1 3.29Å; L134-N155 WeakPolarHBondContact CB-OD1 3.48Å; L134-N155 VanDerWaalsContact CG-OD1 3.28Å; L134-N155 WeakPolarHBondContact CG-OD1 3.12Å; L134-N155 PolarHBondContact N-OD1 3.37Å; L134-S156 CarbonylContact O-C 3.22Å; L134-S156 VanDerWaalsContact O-CA 3.28Å; L134-S156 WeakPolarHBondContact O-CA 3.34Å; L134-S156 PolarHBondContact O-N 2.73Å; L134-L157 HydrophobicContact CB-CD2 4.12Å; L134-L157 PolarHBondContact O-N 2.94Å; L134-L157 VanDerWaalsContact O-N 3.12Å
135	T	96.6	Very high	97	Very high	77 Å²	77	38.5 Å²	38.5	47%	0.472	20%	0.196	S	C	.	.	S	Bend	trans	-101	-23.9	174.9	55.6	0	0	0	0	112.5	K133	K133-T135 PolarHBondContact O-N 2.82Å
136	C	96.5	Very high	96.9	Very high	49 Å²	49	39 Å²	39	33%	0.331	20%	0.2	S	C	.	.			trans	-148.1	171.6	172.2	66.2	0	0	0	0	111.2	F159	C136-F159 HydrophobicContact CB-CE1 4.18Å; C136-F159 HydrophobicContact CB-CZ 3.86Å
137	L	97.9	Very high	97	Very high	5 Å²	5	39 Å²	39	3%	0.026	20%	0.199	C	C	.	.			trans	-109.8	144.7	169.8	-62.1	171	0	0	0	109.4	L129 L134 I141 L152 L157 L160 P161	L129-L137 HydrophobicContact CD1-CD2 4.07Å; L134-L137 HydrophobicContact CD1-CD2 4.38Å; L137-I141 HydrophobicContact CB-CD1 4.31Å; L137-I141 HydrophobicContact CB-CG2 4.49Å; L137-I141 HydrophobicContact CD1-CD1 4.01Å; L137-I141 HydrophobicContact CD2-CD1 4.23Å; L137-I141 HydrophobicContact CG-CD1 4.41Å; L137-L152 HydrophobicContact CD1-CD1 3.76Å; L137-L152 HydrophobicContact CD1-CD2 3.99Å; L137-L152 HydrophobicContact CD2-CD2 3.75Å; L137-L152 HydrophobicContact CG-CD2 4.43Å; L137-L157 HydrophobicContact CG-CD2 4.22Å; L137-L160 HydrophobicContact CD1-CD2 3.85Å; L137-P161 HydrophobicContact CB-CG 4.01Å
138	P	97.7	Very high	97	Very high	20 Å²	20	42.1 Å²	42.1	13%	0.13	21%	0.214	C	C	.	.			trans	-66.8	144.5	175.4	29.3	-35.9	0	0	0	110.7	V114 I118 Q140 I141	V114-P138 HydrophobicContact CB-CG 4.08Å; V114-P138 HydrophobicContact CG1-CG 4.31Å; V114-P138 WeakPolarHBondContact O-CG 3.45Å; I118-P138 HydrophobicContact CG2-CG 3.88Å; P138-Q140 PolarHBondContact O-N 3.47Å; P138-Q140 VanDerWaalsContact O-N 3.12Å; P138-I141 VanDerWaalsContact O-CB 3.3Å; P138-I141 WeakPolarHBondContact O-CB 3.5Å; P138-I141 WeakPolarHBondContact O-CG2 3.38Å; P138-I141 PolarHBondContact O-N 3.14Å
139	L	97.9	Very high	97.1	Very high	92 Å²	92	43.4 Å²	43.4	48%	0.482	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-57.6	-30.6	-179.9	-48.9	179.6	0	0	0	112	I141 G142 P161 E163	L139-I141 PolarHBondContact O-N 2.93Å; L139-G142 PolarHBondContact O-N 3.01Å; L139-G142 VanDerWaalsContact O-N 3.1Å; L139-P161 HydrophobicContact CD2-CB 3.8Å; L139-E163 HydrophobicContact CB-CB 4.5Å; L139-E163 HydrophobicContact CB-CG 4.05Å; L139-E163 VanDerWaalsContact CD2-OE2 3.27Å; L139-E163 WeakPolarHBondContact CD2-OE2 3.47Å; L139-E163 VanDerWaalsContact O-CB 3.23Å; L139-E163 WeakPolarHBondContact O-CB 3.48Å
140	Q	98	Very high	97.2	Very high	74 Å²	74	43.3 Å²	43.3	35%	0.346	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-61.7	-13.5	177.5	-69.2	72.9	20	0	0	113.4	P116 G119 P138 G142 L143	P116-Q140 HydrophobicContact CB-CG 4.12Å; P116-Q140 VanDerWaalsContact O-CB 3.25Å; P116-Q140 WeakPolarHBondContact O-CB 3.25Å; P116-Q140 WeakPolarHBondContact O-CG 3.5Å; G119-Q140 WeakPolarHBondContact CA-O 3.27Å; P138-Q140 PolarHBondContact O-N 3.47Å; P138-Q140 VanDerWaalsContact O-N 3.12Å; Q140-G142 PolarHBondContact O-N 2.68Å; Q140-L143 HydrophobicContact CB-CD1 4.33Å; Q140-L143 HydrophobicContact CG-CD1 4.4Å; Q140-L143 VanDerWaalsContact O-CB 3.28Å; Q140-L143 WeakPolarHBondContact O-CB 3.4Å; Q140-L143 WeakPolarHBondContact O-CG 3.49Å; Q140-L143 PolarHBondContact O-N 3.03Å
141	I	97.8	Very high	97.3	Very high	2 Å²	2	43.6 Å²	43.6	1%	0.01	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-57.8	-28.5	171.7	-158	159.3	0	0	0	112	L127 L137 P138 L139 L143 L144 L150 P161 L164 C167	L127-I141 HydrophobicContact CD2-CD1 4.48Å; L137-I141 HydrophobicContact CB-CD1 4.31Å; L137-I141 HydrophobicContact CB-CG2 4.49Å; L137-I141 HydrophobicContact CD1-CD1 4.01Å; L137-I141 HydrophobicContact CD2-CD1 4.23Å; L137-I141 HydrophobicContact CG-CD1 4.41Å; P138-I141 VanDerWaalsContact O-CB 3.3Å; P138-I141 WeakPolarHBondContact O-CB 3.5Å; P138-I141 WeakPolarHBondContact O-CG2 3.38Å; P138-I141 PolarHBondContact O-N 3.14Å; L139-I141 PolarHBondContact O-N 2.93Å; I141-L143 PolarHBondContact O-N 3.02Å; I141-L143 VanDerWaalsContact O-N 3.15Å; I141-L144 HydrophobicContact CG1-CD1 3.87Å; I141-L144 WeakPolarHBondContact O-CB 3.17Å; I141-L144 WeakPolarHBondContact O-CG 3.14Å; I141-L144 PolarHBondContact O-N 3.01Å; I141-L144 VanDerWaalsContact O-N 3.14Å; I141-L150 HydrophobicContact CD1-CD2 4.46Å; I141-P161 HydrophobicContact CG2-CG 4.17Å; I141-L164 HydrophobicContact CD1-CD1 4.16Å; I141-L164 HydrophobicContact CG1-CD1 4.05Å; I141-L164 HydrophobicContact CG2-CB 4.19Å; I141-L164 HydrophobicContact CG2-CD1 3.76Å; I141-C167 PolarHBondContact O-SG 3.34Å
142	G	97.3	Very high	97.4	Very high	2 Å²	2	40.2 Å²	40.2	2%	0.021	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-66.2	-9.3	174.1	0	0	0	0	0	115.2	L139 Q140 L144 K145 E163 Y166	L139-G142 PolarHBondContact O-N 3.01Å; L139-G142 VanDerWaalsContact O-N 3.1Å; Q140-G142 PolarHBondContact O-N 2.68Å; G142-L144 VanDerWaalsContact C-N 3.32Å; G142-K145 WeakPolarHBondContact O-CE 3.32Å; G142-K145 PolarHBondContact O-NZ 3.01Å; G142-E163 WeakPolarHBondContact CA-O 3.26Å; G142-Y166 WeakPolarHBondContact O-CB 3.46Å
143	L	97.9	Very high	97.6	Very high	89 Å²	89	40.5 Å²	40.5	47%	0.466	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-82.4	-11.2	174.2	-59.5	178.7	0	0	0	112.7	G119 Q140 I141 K145	G119-L143 WeakPolarHBondContact O-CB 3.5Å; Q140-L143 HydrophobicContact CB-CD1 4.33Å; Q140-L143 HydrophobicContact CG-CD1 4.4Å; Q140-L143 VanDerWaalsContact O-CB 3.28Å; Q140-L143 WeakPolarHBondContact O-CB 3.4Å; Q140-L143 WeakPolarHBondContact O-CG 3.49Å; Q140-L143 PolarHBondContact O-N 3.03Å; I141-L143 PolarHBondContact O-N 3.02Å; I141-L143 VanDerWaalsContact O-N 3.15Å; L143-K145 PolarHBondContact O-N 2.96Å
144	L	97.5	Very high	97.7	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.199	C	C	.	.			trans	-76.5	62.4	177.3	-54.2	-179.1	0	0	0	111.6	I118 L121 L124 L127 I141 G142 N146 L147	I118-L144 HydrophobicContact CG1-CD1 4.26Å; I118-L144 WeakPolarHBondContact O-CD2 3.47Å; L121-L144 HydrophobicContact CB-CD2 4.19Å; L121-L144 VanDerWaalsContact O-CD2 3.26Å; L121-L144 WeakPolarHBondContact O-CD2 3.45Å; L124-L144 HydrophobicContact CB-CD2 4.48Å; L124-L144 HydrophobicContact CD2-CD1 4.34Å; L127-L144 HydrophobicContact CD2-CD1 3.99Å; I141-L144 HydrophobicContact CG1-CD1 3.87Å; I141-L144 WeakPolarHBondContact O-CB 3.17Å; I141-L144 WeakPolarHBondContact O-CG 3.14Å; I141-L144 PolarHBondContact O-N 3.01Å; I141-L144 VanDerWaalsContact O-N 3.14Å; G142-L144 VanDerWaalsContact C-N 3.32Å; L144-N146 PolarHBondContact O-N 2.9Å; L144-L147 HydrophobicContact CB-CB 3.92Å; L144-L147 HydrophobicContact CB-CD2 4.39Å; L144-L147 HydrophobicContact CD1-CD2 4.11Å; L144-L147 WeakPolarHBondContact O-CB 3.27Å; L144-L147 PolarHBondContact O-N 2.77Å
145	K	95.2	Very high	97.7	Very high	90 Å²	90	40 Å²	40	39%	0.391	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-19.1	-172.9	-57	-54	-174.1	-166.3	0	114.8	G142 L143	G142-K145 WeakPolarHBondContact O-CE 3.32Å; G142-K145 PolarHBondContact O-NZ 3.01Å; L143-K145 PolarHBondContact O-N 2.96Å
146	N	97.2	Very high	97.7	Very high	55 Å²	55	37.5 Å²	37.5	29%	0.294	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.1	-1.5	177.4	-69.6	-54.3	0	0	0	114.2	S122 L124 L144 Q148 K169	S122-N146 WeakPolarHBondContact O-CB 3.23Å; S122-N146 PolarHBondContact O-ND2 3.02Å; L124-N146 CarbonylContact O-C 3.53Å; L144-N146 PolarHBondContact O-N 2.9Å; N146-Q148 PolarHBondContact O-N 3.21Å; N146-K169 PolarHBondContact OD1-NZ 2.6Å
147	L	98.2	Very high	97.8	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.171	C	C	.	.			trans	-64.8	126	-176.4	-166.6	71	0	0	0	110.6	L124 L127 L144 L150 K169 L170	L124-L147 HydrophobicContact CD2-CD1 4.18Å; L124-L147 HydrophobicContact CG-CD1 4.3Å; L124-L147 WeakPolarHBondContact O-CA 3.25Å; L124-L147 PolarHBondContact O-N 3.35Å; L124-L147 VanDerWaalsContact O-N 3.08Å; L127-L147 HydrophobicContact CB-CD1 3.81Å; L144-L147 HydrophobicContact CB-CB 3.92Å; L144-L147 HydrophobicContact CB-CD2 4.39Å; L144-L147 HydrophobicContact CD1-CD2 4.11Å; L144-L147 WeakPolarHBondContact O-CB 3.27Å; L144-L147 PolarHBondContact O-N 2.77Å; L147-L150 HydrophobicContact CD2-CB 4.13Å; L147-L150 HydrophobicContact CD2-CD1 4.37Å; L147-L150 HydrophobicContact CD2-CD2 4.2Å; L147-L150 HydrophobicContact CD2-CG 4.47Å; L147-K169 CarbonylContact O-C 3.38Å; L147-K169 VanDerWaalsContact O-C 3.24Å; L147-L170 HydrophobicContact CD2-CD1 4.14Å; L147-L170 HydrophobicContact CG-CD1 4.07Å; L147-L170 PolarHBondContact O-N 3.23Å
148	Q	98.5	Very high	97.7	Very high	65 Å²	65	38.4 Å²	38.4	30%	0.304	19%	0.192	S	C	.	.			trans	-113.3	-32	179	-64.8	178.1	21.6	0	0	112.1	I125 N146 K169 T171 H172	I125-Q148 HydrophobicContact CG2-CB 4Å; I125-Q148 HydrophobicContact CG2-CG 4.03Å; I125-Q148 PolarHBondContact O-N 3.13Å; N146-Q148 PolarHBondContact O-N 3.21Å; Q148-K169 WeakPolarHBondContact CA-O 3.34Å; Q148-K169 HydrophobicContact CG-CB 4.29Å; Q148-T171 PolarHBondContact O-N 2.82Å; Q148-T171 PolarHBondContact O-OG1 2.89Å; Q148-H172 PolarHBondContact O-N 2.77Å
149	R	98.5	Very high	97.6	Very high	36 Å²	36	42.7 Å²	42.7	14%	0.136	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	126.2	-175.5	-58.7	-170.8	-75.4	-80.5	-8.4	110.9	I125 E126 L127 H172	I125-R149 PolarHBondContact O-N 3Å; E126-R149 WeakPolarHBondContact CA-O 3.12Å; E126-R149 HydrophobicContact CB-CB 4.18Å; E126-R149 HydrophobicContact CG-CB 3.89Å; E126-R149 IonicContact OE1-NE 3.05Å; E126-R149 PolarHBondContact OE1-NE 3.2Å; E126-R149 IonicContact OE2-CZ 3.22Å; E126-R149 IonicContact OE2-NE 2.86Å; E126-R149 PolarHBondContact OE2-NE 2.93Å; E126-R149 IonicContact OE2-NH2 2.72Å; E126-R149 PolarHBondContact OE2-NH2 2.96Å; L127-R149 PolarHBondContact N-O 3.23Å; R149-H172 WeakPolarHBondContact CA-O 3.44Å; R149-H172 HydrophobicContact CB-CB 4.26Å; R149-H172 HydrophobicContact CG-CB 3.9Å
150	L	98.5	Very high	97.5	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	121.2	-177.6	179.6	56.5	0	0	0	110.6	L127 L129 I141 L147 L152 L164 L170 H172 L173 D174	L127-L150 HydrophobicContact CB-CD1 3.97Å; L127-L150 HydrophobicContact CD2-CD1 3.98Å; L127-L150 HydrophobicContact CG-CD1 4.03Å; L129-L150 HydrophobicContact CD1-CD1 4.27Å; I141-L150 HydrophobicContact CD1-CD2 4.46Å; L147-L150 HydrophobicContact CD2-CB 4.13Å; L147-L150 HydrophobicContact CD2-CD1 4.37Å; L147-L150 HydrophobicContact CD2-CD2 4.2Å; L147-L150 HydrophobicContact CD2-CG 4.47Å; L150-L152 HydrophobicContact CD1-CD2 4.12Å; L150-L152 HydrophobicContact CD1-CG 4.11Å; L150-L152 HydrophobicContact CD2-CD1 3.91Å; L150-L152 HydrophobicContact CD2-CG 4.36Å; L150-L152 HydrophobicContact CG-CD1 3.95Å; L150-L152 HydrophobicContact CG-CD2 4.41Å; L150-L152 HydrophobicContact CG-CG 3.9Å; L150-L164 HydrophobicContact CD2-CD1 3.82Å; L150-L164 HydrophobicContact CD2-CD2 4.45Å; L150-L170 HydrophobicContact CB-CD1 3.88Å; L150-H172 PolarHBondContact N-O 3.08Å; L150-L173 HydrophobicContact CB-CD1 4Å; L150-L173 HydrophobicContact CD2-CD1 4Å; L150-L173 HydrophobicContact CG-CD1 3.97Å; L150-L173 WeakPolarHBondContact O-CA 3.46Å; L150-D174 PolarHBondContact O-N 3.12Å
151	W	98.2	Very high	97.5	Very high	50 Å²	50	35.5 Å²	35.5	19%	0.189	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	106.5	-174.9	-49.8	94.2	0	0	0	110.3	E126 L127 F128 L129 Y130 D174	E126-W151 PolarHBondContact OE1-NE1 3.37Å; L127-W151 PolarHBondContact O-N 2.99Å; F128-W151 HydrophobicContact CD1-CB 3.85Å; F128-W151 AromaticContact CD1-CD1 3.11Å; F128-W151 HydrophobicContact CD1-CD2 4.29Å; F128-W151 AromaticContact CD1-CG 3.49Å; F128-W151 HydrophobicContact CD1-CG 3.49Å; F128-W151 VanDerWaalsContact CD1-CG 3.49Å; F128-W151 AromaticContact CD1-NE1 3.7Å; F128-W151 AromaticContact CE1-CD1 3.19Å; F128-W151 HydrophobicContact CE1-CD2 4.12Å; F128-W151 AromaticContact CE1-CE2 3.84Å; F128-W151 AromaticContact CE1-CG 3.75Å; F128-W151 HydrophobicContact CE1-CG 3.75Å; F128-W151 AromaticContact CE1-NE1 3.21Å; F128-W151 AromaticContact CG-CD1 3.78Å; F128-W151 HydrophobicContact CG-CG 4.38Å; F128-W151 AromaticContact CZ-CD1 3.88Å; F128-W151 AromaticContact CZ-NE1 3.66Å; L129-W151 CarbonylContact C-O 3.24Å; L129-W151 WeakPolarHBondContact CA-O 3.49Å; L129-W151 WeakPolarHBondContact CB-O 3.35Å; L129-W151 PolarHBondContact N-O 2.89Å; Y130-W151 HydrophobicContact CD1-CB 4.03Å; Y130-W151 PolarHBondContact N-O 3.06Å; Y130-W151 VanDerWaalsContact N-O 3.16Å; W151-D174 HydrophobicContact CE3-CB 3.58Å; W151-D174 HydrophobicContact CZ3-CB 4.01Å
152	L	98.4	Very high	97.4	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.197	C	C	.	.			trans	-118.9	4.3	-172.1	-65.4	168.9	0	0	0	113.1	L129 L137 L150 N155 L157 L160 L173 D174 I175 N178	L129-L152 HydrophobicContact CB-CD2 3.85Å; L129-L152 HydrophobicContact CD1-CD2 3.76Å; L129-L152 HydrophobicContact CG-CD2 4.47Å; L137-L152 HydrophobicContact CD1-CD1 3.76Å; L137-L152 HydrophobicContact CD1-CD2 3.99Å; L137-L152 HydrophobicContact CD2-CD2 3.75Å; L137-L152 HydrophobicContact CG-CD2 4.43Å; L150-L152 HydrophobicContact CD1-CD2 4.12Å; L150-L152 HydrophobicContact CD1-CG 4.11Å; L150-L152 HydrophobicContact CD2-CD1 3.91Å; L150-L152 HydrophobicContact CD2-CG 4.36Å; L150-L152 HydrophobicContact CG-CD1 3.95Å; L150-L152 HydrophobicContact CG-CD2 4.41Å; L150-L152 HydrophobicContact CG-CG 3.9Å; L152-N155 PolarHBondContact O-ND2 3.04Å; L152-L157 HydrophobicContact CB-CD1 3.98Å; L152-L157 HydrophobicContact CD1-CD1 4.09Å; L152-L157 HydrophobicContact CD2-CD1 4.23Å; L152-L157 HydrophobicContact CG-CD1 4.35Å; L152-L160 HydrophobicContact CD1-CD2 4.27Å; L152-L173 HydrophobicContact CD1-CD1 3.99Å; L152-D174 CarbonylContact C-O 3.6Å; L152-D174 WeakPolarHBondContact CA-O 3.43Å; L152-D174 WeakPolarHBondContact CB-O 3.32Å; L152-D174 PolarHBondContact N-O 2.94Å; L152-I175 HydrophobicContact CB-CB 4.36Å; L152-I175 HydrophobicContact CB-CG1 4.28Å; L152-I175 HydrophobicContact CD1-CD1 4.07Å; L152-N178 PolarHBondContact O-ND2 3.13Å
153	Q	97.8	Very high	97.4	Very high	21 Å²	21	42.6 Å²	42.6	10%	0.098	21%	0.209	C	C	.	.			trans	-61.9	157.4	-174.7	68.3	-77.9	4.8	0	0	113.3	Y130 D131 N155 D174 R176	Y130-Q153 CarbonylContact C-O 3.2Å; Y130-Q153 WeakPolarHBondContact CA-O 3.42Å; Y130-Q153 WeakPolarHBondContact CB-O 3.25Å; Y130-Q153 HydrophobicContact CG-CG 4.47Å; Y130-Q153 VanDerWaalsContact CG-NE2 3.32Å; D131-Q153 PolarHBondContact N-O 2.96Å; Q153-N155 PolarHBondContact O-ND2 3.05Å; Q153-D174 PolarHBondContact N-O 3.14Å; Q153-R176 CarbonylContact C-O 3.5Å; Q153-R176 WeakPolarHBondContact CA-O 3.37Å; Q153-R176 HydrophobicContact CB-CB 3.99Å; Q153-R176 VanDerWaalsContact CB-O 3.29Å; Q153-R176 WeakPolarHBondContact CB-O 3.1Å
154	E	97.3	Very high	97.4	Very high	102 Å²	102	38.3 Å²	38.3	48%	0.477	19%	0.186	S	C	.	.	S	Bend	trans	57.7	57.3	-179.8	-58.6	-179.1	-160.6	0	0	111.8	D131 N132 R176 H177	D131-E154 VanDerWaalsContact CA-O 3.28Å; D131-E154 WeakPolarHBondContact CA-O 3.24Å; D131-E154 HydrophobicContact CB-CB 4.44Å; D131-E154 PolarHBondContact N-O 2.67Å; N132-E154 PolarHBondContact N-O 3Å; N132-E154 VanDerWaalsContact N-O 3.15Å; E154-R176 PolarHBondContact N-O 2.99Å; E154-H177 WeakPolarHBondContact CA-O 3.05Å; E154-H177 HydrophobicContact CG-CB 4.06Å; E154-H177 PolarHBondContact N-O 3.23Å
155	N	97.8	Very high	97.3	Very high	11 Å²	11	38.8 Å²	38.8	6%	0.059	19%	0.191	C	C	.	.	S	Bend	trans	-133.5	-166.8	174.6	-86.6	-71.4	0	0	0	109.5	L129 N132 K133 L134 L152 Q153 L157 H177 N178	L129-N155 PolarHBondContact O-ND2 3.17Å; N132-N155 WeakPolarHBondContact CA-OD1 3.34Å; N132-N155 WeakPolarHBondContact CB-OD1 3.27Å; N132-N155 PolarHBondContact O-OD1 2.94Å; K133-N155 PolarHBondContact N-OD1 3.06Å; L134-N155 HydrophobicContact CB-CB 4.3Å; L134-N155 VanDerWaalsContact CB-OD1 3.29Å; L134-N155 WeakPolarHBondContact CB-OD1 3.48Å; L134-N155 VanDerWaalsContact CG-OD1 3.28Å; L134-N155 WeakPolarHBondContact CG-OD1 3.12Å; L134-N155 PolarHBondContact N-OD1 3.37Å; L152-N155 PolarHBondContact O-ND2 3.04Å; Q153-N155 PolarHBondContact O-ND2 3.05Å; N155-L157 HydrophobicContact CB-CG 4.25Å; N155-H177 PolarHBondContact N-O 3.04Å; N155-N178 WeakPolarHBondContact CA-OD1 3.28Å; N155-N178 WeakPolarHBondContact CB-OD1 3.29Å; N155-N178 PolarHBondContact O-OD1 2.91Å
156	S	97.8	Very high	97.4	Very high	24 Å²	24	40.9 Å²	40.9	17%	0.168	20%	0.197	C	C	.	.			trans	-121.6	28.4	176.8	-68.8	0	0	0	0	112.6	L134 T158 N178 R179	L134-S156 CarbonylContact O-C 3.22Å; L134-S156 VanDerWaalsContact O-CA 3.28Å; L134-S156 WeakPolarHBondContact O-CA 3.34Å; L134-S156 PolarHBondContact O-N 2.73Å; S156-T158 PolarHBondContact O-N 2.93Å; S156-N178 PolarHBondContact N-OD1 3.09Å; S156-R179 PolarHBondContact OG-NE 3.01Å; S156-R179 PolarHBondContact OG-NH2 3.41Å
157	L	98.1	Very high	97.4	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	18%	0.183	C	C	.	.			trans	-63	129.1	-178.1	-61.7	170.7	0	0	0	110.7	L134 L137 L152 N155 I175 N178 R179 L180	L134-L157 HydrophobicContact CB-CD2 4.12Å; L134-L157 PolarHBondContact O-N 2.94Å; L134-L157 VanDerWaalsContact O-N 3.12Å; L137-L157 HydrophobicContact CG-CD2 4.22Å; L152-L157 HydrophobicContact CB-CD1 3.98Å; L152-L157 HydrophobicContact CD1-CD1 4.09Å; L152-L157 HydrophobicContact CD2-CD1 4.23Å; L152-L157 HydrophobicContact CG-CD1 4.35Å; N155-L157 HydrophobicContact CB-CG 4.25Å; L157-I175 HydrophobicContact CD1-CD1 3.68Å; L157-I175 HydrophobicContact CD1-CG1 4.17Å; L157-N178 HydrophobicContact CB-CB 4.27Å; L157-N178 VanDerWaalsContact CB-OD1 3.24Å; L157-N178 WeakPolarHBondContact CB-OD1 3.17Å; L157-N178 WeakPolarHBondContact CG-OD1 3.43Å; L157-N178 PolarHBondContact N-OD1 3.28Å; L157-R179 CarbonylContact O-C 3.57Å; L157-R179 VanDerWaalsContact O-C 3.24Å; L157-R179 VanDerWaalsContact O-CA 3.3Å; L157-R179 WeakPolarHBondContact O-CA 3.3Å; L157-R179 PolarHBondContact O-N 2.92Å; L157-L180 PolarHBondContact O-N 3.24Å
158	T	96.1	Very high	97.2	Very high	74 Å²	74	41.7 Å²	41.7	45%	0.454	21%	0.207	S	C	.	.			trans	-103.2	-22.6	175.1	53	0	0	0	0	112.8	S156 R179 L180	S156-T158 PolarHBondContact O-N 2.93Å; T158-R179 HydrophobicContact CG2-CB 3.9Å; T158-L180 WeakPolarHBondContact O-CD2 3.5Å
159	F	95.8	Very high	97.1	Very high	109 Å²	109	42.8 Å²	42.8	48%	0.478	21%	0.211	S	C	.	.			trans	-148.7	172.6	175.1	67.7	-83.8	0	0	0	111.1	C136	C136-F159 HydrophobicContact CB-CE1 4.18Å; C136-F159 HydrophobicContact CB-CZ 3.86Å
160	L	96.8	Very high	97.1	Very high	11 Å²	11	41 Å²	41	6%	0.058	20%	0.204	C	C	.	.			trans	-117.1	136.8	169.7	-68.9	177.3	0	0	0	109	L137 L152 L164 I175 V187 L188	L137-L160 HydrophobicContact CD1-CD2 3.85Å; L152-L160 HydrophobicContact CD1-CD2 4.27Å; L160-L164 HydrophobicContact CB-CD2 4.34Å; L160-L164 HydrophobicContact CD1-CD2 4.06Å; L160-L164 HydrophobicContact CD2-CD2 4.05Å; L160-L164 HydrophobicContact CG-CD2 4.39Å; L160-I175 HydrophobicContact CD1-CD1 4.15Å; L160-I175 HydrophobicContact CD2-CD1 3.61Å; L160-I175 HydrophobicContact CG-CD1 4.05Å; L160-V187 HydrophobicContact CB-CG1 3.67Å; L160-V187 HydrophobicContact CD1-CG1 4.15Å; L160-L188 HydrophobicContact CD1-CD2 3.59Å; L160-L188 HydrophobicContact CD1-CG 4.41Å
161	P	96.3	Very high	97.1	Very high	5 Å²	5	41.9 Å²	41.9	3%	0.032	21%	0.209	C	C	.	.			trans	-68	144.9	177.6	29.1	-34.9	0	0	0	111.3	L137 L139 I141 E163 L164	L137-P161 HydrophobicContact CB-CG 4.01Å; L139-P161 HydrophobicContact CD2-CB 3.8Å; I141-P161 HydrophobicContact CG2-CG 4.17Å; P161-E163 PolarHBondContact O-N 3.27Å; P161-L164 HydrophobicContact CG-CB 4.35Å; P161-L164 VanDerWaalsContact O-CB 3.25Å; P161-L164 WeakPolarHBondContact O-CB 3.27Å; P161-L164 PolarHBondContact O-N 3.44Å
162	D	96.1	Very high	97.1	Very high	96 Å²	96	40 Å²	40	51%	0.513	20%	0.203	S	C	.	.	G	3₁₀ helix	trans	-60.9	-30.3	-177.7	-82.3	-35.4	0	0	0	113.2	L164 G165	D162-L164 PolarHBondContact O-N 2.98Å; D162-G165 PolarHBondContact O-N 3.32Å
163	E	97.3	Very high	97.1	Very high	56 Å²	56	40.1 Å²	40.1	26%	0.262	20%	0.203	S	C	.	.	G	3₁₀ helix	trans	-63.8	-25.7	177.6	-66.1	80.4	177.9	0	0	112.3	L139 G142 P161 G165 Y166	L139-E163 HydrophobicContact CB-CB 4.5Å; L139-E163 HydrophobicContact CB-CG 4.05Å; L139-E163 VanDerWaalsContact CD2-OE2 3.27Å; L139-E163 WeakPolarHBondContact CD2-OE2 3.47Å; L139-E163 VanDerWaalsContact O-CB 3.23Å; L139-E163 WeakPolarHBondContact O-CB 3.48Å; G142-E163 WeakPolarHBondContact CA-O 3.26Å; P161-E163 PolarHBondContact O-N 3.27Å; E163-G165 PolarHBondContact O-N 3.04Å; E163-G165 VanDerWaalsContact O-N 3.13Å; E163-Y166 HydrophobicContact CB-CD2 3.96Å; E163-Y166 HydrophobicContact CB-CE2 4.04Å; E163-Y166 HydrophobicContact CG-CD2 4.34Å; E163-Y166 HydrophobicContact CG-CE2 3.93Å; E163-Y166 VanDerWaalsContact O-CB 3.28Å; E163-Y166 WeakPolarHBondContact O-CB 3.45Å; E163-Y166 VanDerWaalsContact O-CD2 3.23Å; E163-Y166 WeakPolarHBondContact O-CD2 3.47Å; E163-Y166 PolarHBondContact O-N 3.39Å
164	L	97.5	Very high	97.1	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-56.8	-30.8	173.6	-174.8	68.4	0	0	0	110.6	I141 L150 L160 P161 D162 Y166 C167 V187 F191	I141-L164 HydrophobicContact CD1-CD1 4.16Å; I141-L164 HydrophobicContact CG1-CD1 4.05Å; I141-L164 HydrophobicContact CG2-CB 4.19Å; I141-L164 HydrophobicContact CG2-CD1 3.76Å; L150-L164 HydrophobicContact CD2-CD1 3.82Å; L150-L164 HydrophobicContact CD2-CD2 4.45Å; L160-L164 HydrophobicContact CB-CD2 4.34Å; L160-L164 HydrophobicContact CD1-CD2 4.06Å; L160-L164 HydrophobicContact CD2-CD2 4.05Å; L160-L164 HydrophobicContact CG-CD2 4.39Å; P161-L164 HydrophobicContact CG-CB 4.35Å; P161-L164 VanDerWaalsContact O-CB 3.25Å; P161-L164 WeakPolarHBondContact O-CB 3.27Å; P161-L164 PolarHBondContact O-N 3.44Å; D162-L164 PolarHBondContact O-N 2.98Å; L164-Y166 PolarHBondContact O-N 3.5Å; L164-C167 WeakPolarHBondContact O-CB 3.17Å; L164-C167 PolarHBondContact O-N 3.09Å; L164-V187 HydrophobicContact CB-CG2 4.21Å; L164-F191 HydrophobicContact CD2-CZ 4.06Å; L164-F191 HydrophobicContact CG-CZ 3.85Å; L164-F191 VanDerWaalsContact O-CE1 3.29Å; L164-F191 WeakPolarHBondContact O-CE1 3.49Å
165	G	95.7	Very high	97.1	Very high	9 Å²	9	34.3 Å²	34.3	9%	0.093	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-59.7	-13.8	175	0	0	0	0	0	114.6	D162 E163 C167	D162-G165 PolarHBondContact O-N 3.32Å; E163-G165 PolarHBondContact O-N 3.04Å; E163-G165 VanDerWaalsContact O-N 3.13Å; G165-C167 VanDerWaalsContact C-N 3.31Å
166	Y	96.8	Very high	97.1	Very high	134 Å²	134	37.8 Å²	37.8	53%	0.525	19%	0.189	S	C	.	.	G	3₁₀ helix	trans	-80.5	-8	173.4	-56.5	-44.2	0	0	0	114.5	G142 E163 L164 S168	G142-Y166 WeakPolarHBondContact O-CB 3.46Å; E163-Y166 HydrophobicContact CB-CD2 3.96Å; E163-Y166 HydrophobicContact CB-CE2 4.04Å; E163-Y166 HydrophobicContact CG-CD2 4.34Å; E163-Y166 HydrophobicContact CG-CE2 3.93Å; E163-Y166 VanDerWaalsContact O-CB 3.28Å; E163-Y166 WeakPolarHBondContact O-CB 3.45Å; E163-Y166 VanDerWaalsContact O-CD2 3.23Å; E163-Y166 WeakPolarHBondContact O-CD2 3.47Å; E163-Y166 PolarHBondContact O-N 3.39Å; L164-Y166 PolarHBondContact O-N 3.5Å; Y166-S168 PolarHBondContact O-N 3.4Å
167	C	97.4	Very high	97.1	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.197	C	C	.	.			trans	-77.5	65.4	170.5	-62.8	0	0	0	0	110.2	I141 L164 G165 K169 L170 F191	I141-C167 PolarHBondContact O-SG 3.34Å; L164-C167 WeakPolarHBondContact O-CB 3.17Å; L164-C167 PolarHBondContact O-N 3.09Å; G165-C167 VanDerWaalsContact C-N 3.31Å; C167-K169 PolarHBondContact O-N 3.49Å; C167-K169 VanDerWaalsContact O-N 3.07Å; C167-L170 WeakPolarHBondContact O-CB 3.4Å; C167-L170 PolarHBondContact O-N 3.02Å; C167-L170 VanDerWaalsContact O-N 3.09Å; C167-F191 HydrophobicContact CB-CE1 4.5Å
168	S	94.1	Very high	97.1	Very high	72 Å²	72	40.8 Å²	40.8	50%	0.503	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-12.6	-170.2	59.9	0	0	0	0	115.2	Y166	Y166-S168 PolarHBondContact O-N 3.4Å
169	K	97.3	Very high	97.2	Very high	88 Å²	88	43.9 Å²	43.9	38%	0.383	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.9	2.3	176.1	-60.6	-168.5	-169.7	174.1	0	113.7	N146 L147 Q148 C167 T171	N146-K169 PolarHBondContact OD1-NZ 2.6Å; L147-K169 CarbonylContact O-C 3.38Å; L147-K169 VanDerWaalsContact O-C 3.24Å; Q148-K169 WeakPolarHBondContact CA-O 3.34Å; Q148-K169 HydrophobicContact CG-CB 4.29Å; C167-K169 PolarHBondContact O-N 3.49Å; C167-K169 VanDerWaalsContact O-N 3.07Å; K169-T171 PolarHBondContact O-N 2.96Å
170	L	98.1	Very high	97.2	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	18%	0.181	C	C	.	.			trans	-64.6	124.6	-176.6	-158.7	72.7	0	0	0	110.9	L147 L150 C167 L173 F191 L193 M194	L147-L170 HydrophobicContact CD2-CD1 4.14Å; L147-L170 HydrophobicContact CG-CD1 4.07Å; L147-L170 PolarHBondContact O-N 3.23Å; L150-L170 HydrophobicContact CB-CD1 3.88Å; C167-L170 WeakPolarHBondContact O-CB 3.4Å; C167-L170 PolarHBondContact O-N 3.02Å; C167-L170 VanDerWaalsContact O-N 3.09Å; L170-L173 HydrophobicContact CD2-CB 4.2Å; L170-L173 HydrophobicContact CD2-CD1 4.5Å; L170-L173 HydrophobicContact CD2-CD2 4.46Å; L170-F191 HydrophobicContact CB-CD1 3.89Å; L170-F191 HydrophobicContact CB-CE1 4.36Å; L170-F191 HydrophobicContact CB-CG 4.32Å; L170-F191 HydrophobicContact CD2-CD1 4.04Å; L170-F191 HydrophobicContact CD2-CD2 4.16Å; L170-F191 HydrophobicContact CD2-CE1 3.96Å; L170-F191 HydrophobicContact CD2-CE2 4.04Å; L170-F191 HydrophobicContact CD2-CG 4.17Å; L170-F191 HydrophobicContact CD2-CZ 3.98Å; L170-L193 CarbonylContact O-C 3.43Å; L170-M194 HydrophobicContact CD2-CE 4.25Å; L170-M194 PolarHBondContact O-N 3.37Å
171	T	98.3	Very high	97.2	Very high	17 Å²	17	44.5 Å²	44.5	10%	0.104	21%	0.208	C	C	.	.			trans	-116.5	-29.3	-179.9	55.1	0	0	0	0	112	Q148 K169 L193 K195 Q196	Q148-T171 PolarHBondContact O-N 2.82Å; Q148-T171 PolarHBondContact O-OG1 2.89Å; K169-T171 PolarHBondContact O-N 2.96Å; T171-L193 HydrophobicContact CG2-CB 4.31Å; T171-K195 WeakPolarHBondContact O-CA 3.28Å; T171-K195 PolarHBondContact O-N 2.94Å; T171-Q196 PolarHBondContact O-N 3Å
172	H	98.5	Very high	97.2	Very high	12 Å²	12	45.5 Å²	45.5	6%	0.056	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	128	-179.7	-56.7	72.4	0	0	0	110.2	Q148 R149 L150 Q196	Q148-H172 PolarHBondContact O-N 2.77Å; R149-H172 WeakPolarHBondContact CA-O 3.44Å; R149-H172 HydrophobicContact CB-CB 4.26Å; R149-H172 HydrophobicContact CG-CB 3.9Å; L150-H172 PolarHBondContact N-O 3.08Å; H172-Q196 WeakPolarHBondContact CA-O 3.43Å; H172-Q196 PolarHBondContact CD2-OE1 3.02Å
173	L	98.3	Very high	97.2	Very high	1 Å²	1	44.7 Å²	44.7	1%	0.005	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	121.4	174.5	179.4	61.1	0	0	0	109.8	L150 L152 L170 L188 F191 M194 Q196 L197 Y198	L150-L173 HydrophobicContact CB-CD1 4Å; L150-L173 HydrophobicContact CD2-CD1 4Å; L150-L173 HydrophobicContact CG-CD1 3.97Å; L150-L173 WeakPolarHBondContact O-CA 3.46Å; L152-L173 HydrophobicContact CD1-CD1 3.99Å; L170-L173 HydrophobicContact CD2-CB 4.2Å; L170-L173 HydrophobicContact CD2-CD1 4.5Å; L170-L173 HydrophobicContact CD2-CD2 4.46Å; L173-L188 HydrophobicContact CD2-CD2 3.43Å; L173-L188 VanDerWaalsContact CD2-CD2 3.43Å; L173-F191 HydrophobicContact CD2-CE2 4.32Å; L173-M194 HydrophobicContact CB-CE 3.73Å; L173-M194 HydrophobicContact CD2-CE 3.99Å; L173-Q196 PolarHBondContact N-O 2.82Å; L173-L197 HydrophobicContact CB-CD1 4Å; L173-L197 HydrophobicContact CD2-CD1 3.93Å; L173-L197 HydrophobicContact CG-CD1 4.1Å; L173-L197 WeakPolarHBondContact O-CA 3.46Å; L173-Y198 PolarHBondContact O-N 3.38Å
174	D	98	Very high	97	Very high	2 Å²	2	42.3 Å²	42.3	1%	0.011	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	116.4	171.2	-170.2	-12	0	0	0	109.6	L150 W151 L152 Q153 R176 Y198	L150-D174 PolarHBondContact O-N 3.12Å; W151-D174 HydrophobicContact CE3-CB 3.58Å; W151-D174 HydrophobicContact CZ3-CB 4.01Å; L152-D174 CarbonylContact C-O 3.6Å; L152-D174 WeakPolarHBondContact CA-O 3.43Å; L152-D174 WeakPolarHBondContact CB-O 3.32Å; L152-D174 PolarHBondContact N-O 2.94Å; Q153-D174 PolarHBondContact N-O 3.14Å; D174-R176 WeakPolarHBondContact OD1-CB 3.49Å; D174-R176 WeakPolarHBondContact OD1-CG 3.15Å; D174-R176 IonicContact OD1-CZ 3.31Å; D174-R176 PolarHBondContact OD1-N 2.96Å; D174-R176 IonicContact OD1-NE 2.85Å; D174-R176 PolarHBondContact OD1-NE 3.44Å; D174-R176 IonicContact OD2-CZ 3.01Å; D174-R176 VanDerWaalsContact OD2-CZ 3.23Å; D174-R176 IonicContact OD2-NE 3.82Å; D174-R176 PolarHBondContact OD2-NE 2.98Å; D174-R176 IonicContact OD2-NH2 2.69Å; D174-R176 PolarHBondContact OD2-NH2 3.42Å; D174-Y198 HydrophobicContact CB-CD2 4.31Å
175	I	97.4	Very high	96.7	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.217	C	C	.	.			trans	-129.5	29.4	177.1	-170	155.9	0	0	0	110.6	L152 L157 L160 N178 L180 Y198 L199 N202	L152-I175 HydrophobicContact CB-CB 4.36Å; L152-I175 HydrophobicContact CB-CG1 4.28Å; L152-I175 HydrophobicContact CD1-CD1 4.07Å; L157-I175 HydrophobicContact CD1-CD1 3.68Å; L157-I175 HydrophobicContact CD1-CG1 4.17Å; L160-I175 HydrophobicContact CD1-CD1 4.15Å; L160-I175 HydrophobicContact CD2-CD1 3.61Å; L160-I175 HydrophobicContact CG-CD1 4.05Å; I175-N178 HydrophobicContact CG1-CB 4.18Å; I175-N178 PolarHBondContact O-ND2 2.71Å; I175-L180 HydrophobicContact CD1-CD1 3.78Å; I175-L180 HydrophobicContact CD1-CD2 4.43Å; I175-L180 HydrophobicContact CD1-CG 4.36Å; I175-L180 HydrophobicContact CG1-CD1 3.97Å; I175-L180 HydrophobicContact CG2-CD1 4.03Å; I175-Y198 WeakPolarHBondContact CG2-O 3.38Å; I175-Y198 PolarHBondContact N-O 2.79Å; I175-L199 HydrophobicContact CG2-CD2 3.38Å; I175-L199 HydrophobicContact CG2-CG 4.37Å; I175-N202 PolarHBondContact O-ND2 2.98Å
176	R	98.1	Very high	96.5	Very high	84 Å²	84	47.7 Å²	47.7	32%	0.317	24%	0.24	S	C	.	.			trans	-59.4	157	175.9	-66.6	178.8	-69.2	159.5	2.3	111.8	Q153 E154 D174 N178 T200	Q153-R176 CarbonylContact C-O 3.5Å; Q153-R176 WeakPolarHBondContact CA-O 3.37Å; Q153-R176 HydrophobicContact CB-CB 3.99Å; Q153-R176 VanDerWaalsContact CB-O 3.29Å; Q153-R176 WeakPolarHBondContact CB-O 3.1Å; E154-R176 PolarHBondContact N-O 2.99Å; D174-R176 WeakPolarHBondContact OD1-CB 3.49Å; D174-R176 WeakPolarHBondContact OD1-CG 3.15Å; D174-R176 IonicContact OD1-CZ 3.31Å; D174-R176 PolarHBondContact OD1-N 2.96Å; D174-R176 IonicContact OD1-NE 2.85Å; D174-R176 PolarHBondContact OD1-NE 3.44Å; D174-R176 IonicContact OD2-CZ 3.01Å; D174-R176 VanDerWaalsContact OD2-CZ 3.23Å; D174-R176 IonicContact OD2-NE 3.82Å; D174-R176 PolarHBondContact OD2-NE 2.98Å; D174-R176 IonicContact OD2-NH2 2.69Å; D174-R176 PolarHBondContact OD2-NH2 3.42Å; R176-N178 PolarHBondContact O-N 3.07Å; R176-N178 PolarHBondContact O-ND2 3.04Å; R176-N178 VanDerWaalsContact O-ND2 3.13Å; R176-T200 CarbonylContact C-O 3.28Å; R176-T200 WeakPolarHBondContact CA-O 3.37Å; R176-T200 WeakPolarHBondContact CB-O 3.36Å
177	H	97.3	Very high	96.3	Very high	73 Å²	73	41.4 Å²	41.4	34%	0.338	22%	0.216	S	C	.	.	S	Bend	trans	53.6	55.7	175.7	-61.9	-85	0	0	0	112.6	E154 N155 T200 Y201	E154-H177 WeakPolarHBondContact CA-O 3.05Å; E154-H177 HydrophobicContact CG-CB 4.06Å; E154-H177 PolarHBondContact N-O 3.23Å; N155-H177 PolarHBondContact N-O 3.04Å; H177-T200 PolarHBondContact N-O 3.11Å; H177-Y201 VanDerWaalsContact CA-O 3.3Å; H177-Y201 WeakPolarHBondContact CA-O 3.37Å; H177-Y201 AromaticContact CE1-CD2 2.99Å; H177-Y201 WeakPolarHBondContact CE1-CD2 3.37Å; H177-Y201 AromaticContact CE1-CE2 3.5Å; H177-Y201 VanDerWaalsContact CE1-CE2 3.5Å; H177-Y201 WeakPolarHBondContact CE1-CE2 3.44Å; H177-Y201 AromaticContact CE1-CG 3.49Å; H177-Y201 VanDerWaalsContact CE1-CG 3.49Å; H177-Y201 PolarHBondContact N-O 3.11Å; H177-Y201 AromaticContact ND1-CD2 3.66Å; H177-Y201 AromaticContact ND1-CG 3.69Å; H177-Y201 AromaticContact NE2-CD2 3.24Å; H177-Y201 WeakPolarHBondContact NE2-CD2 3.42Å; H177-Y201 AromaticContact NE2-CE2 3.77Å
178	N	97.9	Very high	96.1	Very high	13 Å²	13	41.4 Å²	41.4	7%	0.07	22%	0.216	C	C	.	.	S	Bend	trans	-127.2	-165.3	173.5	-86.5	-78.6	0	0	0	109.1	L152 N155 S156 L157 I175 R176 Y201 N202	L152-N178 PolarHBondContact O-ND2 3.13Å; N155-N178 WeakPolarHBondContact CA-OD1 3.28Å; N155-N178 WeakPolarHBondContact CB-OD1 3.29Å; N155-N178 PolarHBondContact O-OD1 2.91Å; S156-N178 PolarHBondContact N-OD1 3.09Å; L157-N178 HydrophobicContact CB-CB 4.27Å; L157-N178 VanDerWaalsContact CB-OD1 3.24Å; L157-N178 WeakPolarHBondContact CB-OD1 3.17Å; L157-N178 WeakPolarHBondContact CG-OD1 3.43Å; L157-N178 PolarHBondContact N-OD1 3.28Å; I175-N178 HydrophobicContact CG1-CB 4.18Å; I175-N178 PolarHBondContact O-ND2 2.71Å; R176-N178 PolarHBondContact O-N 3.07Å; R176-N178 PolarHBondContact O-ND2 3.04Å; R176-N178 VanDerWaalsContact O-ND2 3.13Å; N178-Y201 PolarHBondContact N-O 3.16Å; N178-N202 WeakPolarHBondContact CA-OD1 3.09Å; N178-N202 WeakPolarHBondContact CB-OD1 3.35Å; N178-N202 PolarHBondContact O-OD1 3.13Å
179	R	97.4	Very high	95.9	Very high	139 Å²	139	39.3 Å²	39.3	53%	0.525	20%	0.2	S	C	.	.			trans	-118.7	23.5	-177.6	-58.1	-179.2	-172.7	-176	5.1	112.1	S156 L157 T158 E181 N202	S156-R179 PolarHBondContact OG-NE 3.01Å; S156-R179 PolarHBondContact OG-NH2 3.41Å; L157-R179 CarbonylContact O-C 3.57Å; L157-R179 VanDerWaalsContact O-C 3.24Å; L157-R179 VanDerWaalsContact O-CA 3.3Å; L157-R179 WeakPolarHBondContact O-CA 3.3Å; L157-R179 PolarHBondContact O-N 2.92Å; T158-R179 HydrophobicContact CG2-CB 3.9Å; R179-E181 PolarHBondContact O-N 3.08Å; R179-N202 PolarHBondContact N-OD1 3.19Å
180	L	97.3	Very high	95.7	Very high	3 Å²	3	39.7 Å²	39.7	2%	0.016	20%	0.202	C	C	.	.			trans	-60.5	136.6	175.7	-59.4	178.3	0	0	0	109.3	L157 T158 I175 P185 L199 N202 K203 L204	L157-L180 PolarHBondContact O-N 3.24Å; T158-L180 WeakPolarHBondContact O-CD2 3.5Å; I175-L180 HydrophobicContact CD1-CD1 3.78Å; I175-L180 HydrophobicContact CD1-CD2 4.43Å; I175-L180 HydrophobicContact CD1-CG 4.36Å; I175-L180 HydrophobicContact CG1-CD1 3.97Å; I175-L180 HydrophobicContact CG2-CD1 4.03Å; L180-P185 HydrophobicContact CD1-CG 4.49Å; L180-P185 HydrophobicContact CD2-CG 4.47Å; L180-L199 HydrophobicContact CD1-CD2 4.38Å; L180-N202 HydrophobicContact CB-CB 4.13Å; L180-N202 WeakPolarHBondContact CB-OD1 3.36Å; L180-N202 PolarHBondContact N-OD1 2.96Å; L180-K203 CarbonylContact O-C 3.6Å; L180-K203 WeakPolarHBondContact O-CA 3.3Å; L180-K203 WeakPolarHBondContact O-CB 3.44Å; L180-K203 PolarHBondContact O-N 2.99Å; L180-L204 HydrophobicContact CB-CD2 4.09Å
181	E	96.5	Very high	95.6	Very high	130 Å²	130	39.7 Å²	39.7	61%	0.607	20%	0.202	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-138.3	161	-179	66.5	-174.4	-165.3	0	0	112	R179 K203	R179-E181 PolarHBondContact O-N 3.08Å; E181-K203 WeakPolarHBondContact CA-O 3.31Å; E181-K203 HydrophobicContact CB-CB 3.83Å; E181-K203 HydrophobicContact CB-CD 4.3Å; E181-K203 IonicContact OE2-NZ 2.83Å
182	G	96.4	Very high	95.3	Very high	27 Å²	27	41.8 Å²	41.8	28%	0.278	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	76.2	-147.1	-177.3	0	0	0	0	0	113	K203 L204 T205	G182-K203 PolarHBondContact N-O 3.27Å; G182-L204 CarbonylContact O-C 3.45Å; G182-L204 VanDerWaalsContact O-CA 3.25Å; G182-L204 WeakPolarHBondContact O-CA 3.25Å; G182-T205 VanDerWaalsContact C-OG1 3.25Å; G182-T205 WeakPolarHBondContact CA-OG1 3.3Å; G182-T205 PolarHBondContact O-N 3.44Å; G182-T205 PolarHBondContact O-OG1 3.32Å
183	C	95.7	Very high	95.2	Very high	79 Å²	79	45 Å²	45	53%	0.534	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	157.9	177.5	-59	0	0	0	0	110.8	D206	C183-D206 HydrophobicContact CB-CB 4.35Å
184	I	93.4	Very high	95.2	Very high	6 Å²	6	45 Å²	45	3%	0.031	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-53.9	140.1	168.3	73.3	177.8	0	0	0	110	V186 L188 L199 L204 D206 I207 A209 I210	I184-V186 PolarHBondContact O-N 3.02Å; I184-L188 HydrophobicContact CB-CD1 4.35Å; I184-L199 HydrophobicContact CG2-CD1 4.44Å; I184-L204 HydrophobicContact CG2-CD1 4.34Å; I184-D206 WeakPolarHBondContact CG2-O 3.44Å; I184-D206 PolarHBondContact N-O 3.33Å; I184-I207 HydrophobicContact CG2-CB 4.26Å; I184-I207 HydrophobicContact CG2-CG2 3.75Å; I184-A209 HydrophobicContact CD1-CB 3.76Å; I184-A209 HydrophobicContact CG1-CB 3.77Å; I184-I210 HydrophobicContact CD1-CB 4.32Å; I184-I210 HydrophobicContact CD1-CG2 3.42Å; I184-I210 VanDerWaalsContact CD1-CG2 3.42Å
185	P	91.6	Very high	95.2	Very high	26 Å²	26	48.9 Å²	48.9	17%	0.169	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-57.3	128	177.5	-26.4	34.6	0	0	0	111.4	L180 V187 L188	L180-P185 HydrophobicContact CD1-CG 4.49Å; L180-P185 HydrophobicContact CD2-CG 4.47Å; P185-V187 HydrophobicContact CB-CG1 3.85Å; P185-V187 PolarHBondContact O-N 3.19Å; P185-L188 HydrophobicContact CB-CG 4.35Å; P185-L188 VanDerWaalsContact O-CB 3.32Å; P185-L188 WeakPolarHBondContact O-CB 3.38Å; P185-L188 WeakPolarHBondContact O-CG 3.14Å; P185-L188 PolarHBondContact O-N 2.87Å
186	V	89.8	Confident	95.3	Very high	95 Å²	95	51 Å²	51	58%	0.576	27%	0.265	S	S	*	.	G	3₁₀ helix	trans	-57.8	-27.1	-177.6	70.1	0	0	0	0	112.5	I184 L188 T189	I184-V186 PolarHBondContact O-N 3.02Å; V186-L188 PolarHBondContact O-N 3.39Å; V186-T189 WeakPolarHBondContact O-CB 3.36Å; V186-T189 WeakPolarHBondContact O-CG2 3.41Å; V186-T189 PolarHBondContact O-N 2.87Å; V186-T189 PolarHBondContact O-OG1 2.92Å
187	V	94.1	Very high	95.3	Very high	2 Å²	2	47 Å²	47	1%	0.012	25%	0.25	C	C	.	.	G	3₁₀ helix	trans	-56.1	-31.4	173.6	67.5	0	0	0	0	112.8	L160 L164 P185 T189 K190 F191	L160-V187 HydrophobicContact CB-CG1 3.67Å; L160-V187 HydrophobicContact CD1-CG1 4.15Å; L164-V187 HydrophobicContact CB-CG2 4.21Å; P185-V187 HydrophobicContact CB-CG1 3.85Å; P185-V187 PolarHBondContact O-N 3.19Å; V187-T189 PolarHBondContact O-N 2.88Å; V187-K190 WeakPolarHBondContact O-CB 3.1Å; V187-K190 PolarHBondContact O-N 3.04Å; V187-K190 VanDerWaalsContact O-N 3.1Å; V187-F191 HydrophobicContact CG2-CZ 4.37Å
188	L	93.4	Very high	95.3	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-61.1	-30.8	177.2	-61.6	-170.9	0	0	0	112	L160 L173 I184 P185 V186 K190 F191 L197 L199 L213	L160-L188 HydrophobicContact CD1-CD2 3.59Å; L160-L188 HydrophobicContact CD1-CG 4.41Å; L173-L188 HydrophobicContact CD2-CD2 3.43Å; L173-L188 VanDerWaalsContact CD2-CD2 3.43Å; I184-L188 HydrophobicContact CB-CD1 4.35Å; P185-L188 HydrophobicContact CB-CG 4.35Å; P185-L188 VanDerWaalsContact O-CB 3.32Å; P185-L188 WeakPolarHBondContact O-CB 3.38Å; P185-L188 WeakPolarHBondContact O-CG 3.14Å; P185-L188 PolarHBondContact O-N 2.87Å; V186-L188 PolarHBondContact O-N 3.39Å; L188-K190 PolarHBondContact O-N 3.13Å; L188-F191 HydrophobicContact CD2-CD2 4.22Å; L188-F191 HydrophobicContact CD2-CE2 3.72Å; L188-F191 VanDerWaalsContact O-CD2 3.3Å; L188-F191 WeakPolarHBondContact O-CD2 3.16Å; L188-F191 PolarHBondContact O-N 2.88Å; L188-L197 HydrophobicContact CD1-CD1 4.4Å; L188-L197 HydrophobicContact CD1-CD2 4.26Å; L188-L199 HydrophobicContact CD1-CD2 4.18Å; L188-L213 WeakPolarHBondContact O-CD2 3.4Å
189	T	89.4	Confident	95.3	Very high	28 Å²	28	45.4 Å²	45.4	17%	0.172	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-67.6	-15.9	179.6	73.4	0	0	0	0	113.6	V186 V187 F191 A209	V186-T189 WeakPolarHBondContact O-CB 3.36Å; V186-T189 WeakPolarHBondContact O-CG2 3.41Å; V186-T189 PolarHBondContact O-N 2.87Å; V186-T189 PolarHBondContact O-OG1 2.92Å; V187-T189 PolarHBondContact O-N 2.88Å; T189-F191 VanDerWaalsContact C-N 3.33Å; T189-A209 HydrophobicContact CG2-CB 3.72Å; T189-A209 WeakPolarHBondContact CG2-O 3.36Å
190	K	93	Very high	95.3	Very high	97 Å²	97	39.2 Å²	39.2	42%	0.422	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-78.9	-14.7	179.5	-63.9	178.6	175.4	173.6	0	112.9	V187 L188 A192	V187-K190 WeakPolarHBondContact O-CB 3.1Å; V187-K190 PolarHBondContact O-N 3.04Å; V187-K190 VanDerWaalsContact O-N 3.1Å; L188-K190 PolarHBondContact O-N 3.13Å; K190-A192 VanDerWaalsContact C-N 3.32Å; K190-A192 PolarHBondContact O-N 2.77Å
191	F	94.8	Very high	95.3	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	24%	0.235	C	C	.	.			trans	-83.7	71.5	-177.8	-53.7	-51	0	0	0	112	L164 C167 L170 L173 V187 L188 T189 L193 M194 L213	L164-F191 HydrophobicContact CD2-CZ 4.06Å; L164-F191 HydrophobicContact CG-CZ 3.85Å; L164-F191 VanDerWaalsContact O-CE1 3.29Å; L164-F191 WeakPolarHBondContact O-CE1 3.49Å; C167-F191 HydrophobicContact CB-CE1 4.5Å; L170-F191 HydrophobicContact CB-CD1 3.89Å; L170-F191 HydrophobicContact CB-CE1 4.36Å; L170-F191 HydrophobicContact CB-CG 4.32Å; L170-F191 HydrophobicContact CD2-CD1 4.04Å; L170-F191 HydrophobicContact CD2-CD2 4.16Å; L170-F191 HydrophobicContact CD2-CE1 3.96Å; L170-F191 HydrophobicContact CD2-CE2 4.04Å; L170-F191 HydrophobicContact CD2-CG 4.17Å; L170-F191 HydrophobicContact CD2-CZ 3.98Å; L173-F191 HydrophobicContact CD2-CE2 4.32Å; V187-F191 HydrophobicContact CG2-CZ 4.37Å; L188-F191 HydrophobicContact CD2-CD2 4.22Å; L188-F191 HydrophobicContact CD2-CE2 3.72Å; L188-F191 VanDerWaalsContact O-CD2 3.3Å; L188-F191 WeakPolarHBondContact O-CD2 3.16Å; L188-F191 PolarHBondContact O-N 2.88Å; T189-F191 VanDerWaalsContact C-N 3.33Å; F191-L193 PolarHBondContact O-N 3.25Å; F191-M194 HydrophobicContact CB-CB 3.94Å; F191-M194 HydrophobicContact CB-CE 3.73Å; F191-M194 HydrophobicContact CB-SD 4.44Å; F191-M194 HydrophobicContact CD2-CE 3.29Å; F191-M194 HydrophobicContact CD2-SD 4.47Å; F191-M194 HydrophobicContact CE2-CE 4.17Å; F191-M194 HydrophobicContact CG-CE 3.78Å; F191-M194 WeakPolarHBondContact O-CB 3.27Å; F191-M194 PolarHBondContact O-N 2.98Å; F191-L213 WeakPolarHBondContact O-CD2 3.38Å
192	A	92.7	Very high	95.4	Very high	60 Å²	60	38 Å²	38	50%	0.496	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-24	-175.9	0	0	0	0	0	114.4	K190 F215	K190-A192 VanDerWaalsContact C-N 3.32Å; K190-A192 PolarHBondContact O-N 2.77Å; A192-F215 VanDerWaalsContact O-CD2 3.24Å; A192-F215 WeakPolarHBondContact O-CD2 3.29Å
193	L	97	Very high	95.5	Very high	80 Å²	80	41 Å²	41	42%	0.419	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.5	6.2	178.4	-61.2	-179.2	0	0	0	113.9	L170 T171 F191 K195	L170-L193 CarbonylContact O-C 3.43Å; T171-L193 HydrophobicContact CG2-CB 4.31Å; F191-L193 PolarHBondContact O-N 3.25Å; L193-K195 PolarHBondContact O-N 2.95Å
194	M	98.1	Very high	95.6	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.189	C	C	.	.			trans	-59.5	125.8	-177	-171.5	165.3	-85.3	0	0	111.4	L170 L173 F191 L197 L213 F215 L216	L170-M194 HydrophobicContact CD2-CE 4.25Å; L170-M194 PolarHBondContact O-N 3.37Å; L173-M194 HydrophobicContact CB-CE 3.73Å; L173-M194 HydrophobicContact CD2-CE 3.99Å; F191-M194 HydrophobicContact CB-CB 3.94Å; F191-M194 HydrophobicContact CB-CE 3.73Å; F191-M194 HydrophobicContact CB-SD 4.44Å; F191-M194 HydrophobicContact CD2-CE 3.29Å; F191-M194 HydrophobicContact CD2-SD 4.47Å; F191-M194 HydrophobicContact CE2-CE 4.17Å; F191-M194 HydrophobicContact CG-CE 3.78Å; F191-M194 WeakPolarHBondContact O-CB 3.27Å; F191-M194 PolarHBondContact O-N 2.98Å; M194-L197 HydrophobicContact CE-CD1 4.25Å; M194-L197 HydrophobicContact CG-CB 4.43Å; M194-L197 HydrophobicContact SD-CB 3.79Å; M194-L197 HydrophobicContact SD-CD1 3.9Å; M194-L197 HydrophobicContact SD-CD2 3.81Å; M194-L197 HydrophobicContact SD-CG 4.03Å; M194-L213 HydrophobicContact CB-CD2 4.26Å; M194-L213 HydrophobicContact SD-CD1 3.86Å; M194-F215 CarbonylContact O-C 3.42Å; M194-L216 HydrophobicContact CB-CD1 4.42Å; M194-L216 HydrophobicContact CG-CD1 3.74Å; M194-L216 VanDerWaalsContact O-CA 3.29Å; M194-L216 WeakPolarHBondContact O-CA 3.36Å; M194-L216 PolarHBondContact O-N 3.15Å; M194-L216 VanDerWaalsContact O-N 3.15Å; M194-L216 HydrophobicContact SD-CD1 4.42Å
195	K	98.4	Very high	95.8	Very high	84 Å²	84	39.2 Å²	39.2	37%	0.365	20%	0.201	S	C	.	.			trans	-108.4	-38.2	178.2	-64.6	-176.7	-178	177.3	0	112	T171 L193 Q217 T218	T171-K195 WeakPolarHBondContact O-CA 3.28Å; T171-K195 PolarHBondContact O-N 2.94Å; L193-K195 PolarHBondContact O-N 2.95Å; K195-Q217 WeakPolarHBondContact O-CA 3.05Å; K195-Q217 PolarHBondContact O-N 3.24Å; K195-T218 PolarHBondContact O-N 2.85Å
196	Q	98.6	Very high	96	Very high	46 Å²	46	40.4 Å²	40.4	22%	0.215	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	126	-178	-54.3	-172.5	7.1	0	0	111.3	T171 H172 L173 Y198 T218	T171-Q196 PolarHBondContact O-N 3Å; H172-Q196 WeakPolarHBondContact CA-O 3.43Å; H172-Q196 PolarHBondContact CD2-OE1 3.02Å; L173-Q196 PolarHBondContact N-O 2.82Å; Q196-Y198 HydrophobicContact CB-CE2 3.79Å; Q196-Y198 PolarHBondContact OE1-OH 2.92Å; Q196-T218 WeakPolarHBondContact CA-O 3.37Å
197	L	98.2	Very high	96.3	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	118.4	-179.4	-178.4	57.6	0	0	0	110.5	L173 L188 M194 L199 L213 L216 T218 L219 V220	L173-L197 HydrophobicContact CB-CD1 4Å; L173-L197 HydrophobicContact CD2-CD1 3.93Å; L173-L197 HydrophobicContact CG-CD1 4.1Å; L173-L197 WeakPolarHBondContact O-CA 3.46Å; L188-L197 HydrophobicContact CD1-CD1 4.4Å; L188-L197 HydrophobicContact CD1-CD2 4.26Å; M194-L197 HydrophobicContact CE-CD1 4.25Å; M194-L197 HydrophobicContact CG-CB 4.43Å; M194-L197 HydrophobicContact SD-CB 3.79Å; M194-L197 HydrophobicContact SD-CD1 3.9Å; M194-L197 HydrophobicContact SD-CD2 3.81Å; M194-L197 HydrophobicContact SD-CG 4.03Å; L197-L199 HydrophobicContact CD1-CD1 4.37Å; L197-L199 HydrophobicContact CD1-CD2 4.36Å; L197-L199 HydrophobicContact CD1-CG 4.15Å; L197-L199 HydrophobicContact CD2-CD1 3.8Å; L197-L199 HydrophobicContact CD2-CG 4.46Å; L197-L199 HydrophobicContact CG-CD1 3.85Å; L197-L199 HydrophobicContact CG-CG 4Å; L197-L213 HydrophobicContact CD2-CD1 4.17Å; L197-L216 HydrophobicContact CB-CD1 3.98Å; L197-T218 PolarHBondContact N-O 2.89Å; L197-L219 HydrophobicContact CB-CD1 4.1Å; L197-L219 HydrophobicContact CD2-CD1 3.95Å; L197-L219 HydrophobicContact CG-CD1 4.11Å; L197-V220 PolarHBondContact O-N 2.83Å
198	Y	98	Very high	96.3	Very high	51 Å²	51	38.4 Å²	38.4	20%	0.2	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	118.4	-179.8	-57.6	-90.2	0	0	0	110.8	L173 D174 I175 Q196 T218 V220	L173-Y198 PolarHBondContact O-N 3.38Å; D174-Y198 HydrophobicContact CB-CD2 4.31Å; I175-Y198 WeakPolarHBondContact CG2-O 3.38Å; I175-Y198 PolarHBondContact N-O 2.79Å; Q196-Y198 HydrophobicContact CB-CE2 3.79Å; Q196-Y198 PolarHBondContact OE1-OH 2.92Å; Y198-T218 HydrophobicContact CE1-CG2 3.99Å; Y198-V220 HydrophobicContact CD1-CB 3.78Å; Y198-V220 HydrophobicContact CD1-CG1 4.48Å; Y198-V220 HydrophobicContact CD1-CG2 3.66Å; Y198-V220 HydrophobicContact CE1-CB 4.35Å; Y198-V220 HydrophobicContact CE1-CG2 3.7Å
199	L	97.9	Very high	96.3	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.21	C	C	.	.			trans	-127.9	6.1	-171.9	-68.8	163.6	0	0	0	112.9	I175 L180 I184 L188 L197 N202 L204 L219 V220 V221 N224	I175-L199 HydrophobicContact CG2-CD2 3.38Å; I175-L199 HydrophobicContact CG2-CG 4.37Å; L180-L199 HydrophobicContact CD1-CD2 4.38Å; I184-L199 HydrophobicContact CG2-CD1 4.44Å; L188-L199 HydrophobicContact CD1-CD2 4.18Å; L197-L199 HydrophobicContact CD1-CD1 4.37Å; L197-L199 HydrophobicContact CD1-CD2 4.36Å; L197-L199 HydrophobicContact CD1-CG 4.15Å; L197-L199 HydrophobicContact CD2-CD1 3.8Å; L197-L199 HydrophobicContact CD2-CG 4.46Å; L197-L199 HydrophobicContact CG-CD1 3.85Å; L197-L199 HydrophobicContact CG-CG 4Å; L199-N202 PolarHBondContact O-ND2 3Å; L199-L204 HydrophobicContact CB-CD1 3.89Å; L199-L204 HydrophobicContact CD1-CD1 4.12Å; L199-L204 HydrophobicContact CD2-CD1 3.98Å; L199-L204 HydrophobicContact CG-CD1 4.23Å; L199-L219 HydrophobicContact CD1-CD1 4.36Å; L199-V220 PolarHBondContact N-O 3.37Å; L199-V221 HydrophobicContact CB-CG1 4.05Å; L199-V221 HydrophobicContact CB-CG2 4.4Å; L199-V221 HydrophobicContact CD1-CG1 4.47Å; L199-V221 HydrophobicContact CD1-CG2 4.12Å; L199-N224 PolarHBondContact O-ND2 2.78Å
200	T	97.5	Very high	96.5	Very high	10 Å²	10	38.9 Å²	38.9	6%	0.061	20%	0.202	C	C	.	.			trans	-49.9	143.1	179.8	-42.1	0	0	0	0	113.5	R176 H177 V220 K222	R176-T200 CarbonylContact C-O 3.28Å; R176-T200 WeakPolarHBondContact CA-O 3.37Å; R176-T200 WeakPolarHBondContact CB-O 3.36Å; H177-T200 PolarHBondContact N-O 3.11Å; T200-V220 PolarHBondContact N-O 3.07Å; T200-V220 VanDerWaalsContact OG1-CG1 3.24Å; T200-V220 WeakPolarHBondContact OG1-CG1 3.24Å; T200-K222 WeakPolarHBondContact CA-O 3.41Å; T200-K222 HydrophobicContact CG2-CB 3.93Å; T200-K222 HydrophobicContact CG2-CG 4.07Å; T200-K222 WeakPolarHBondContact CG2-O 3.3Å
201	Y	97.7	Very high	96.5	Very high	94 Å²	94	34.5 Å²	34.5	37%	0.369	19%	0.185	S	C	.	.	S	Bend	trans	58.5	54.4	177.7	-66	-71.6	0	0	0	113	H177 N178 K222 S223	H177-Y201 VanDerWaalsContact CA-O 3.3Å; H177-Y201 WeakPolarHBondContact CA-O 3.37Å; H177-Y201 AromaticContact CE1-CD2 2.99Å; H177-Y201 WeakPolarHBondContact CE1-CD2 3.37Å; H177-Y201 AromaticContact CE1-CE2 3.5Å; H177-Y201 VanDerWaalsContact CE1-CE2 3.5Å; H177-Y201 WeakPolarHBondContact CE1-CE2 3.44Å; H177-Y201 AromaticContact CE1-CG 3.49Å; H177-Y201 VanDerWaalsContact CE1-CG 3.49Å; H177-Y201 PolarHBondContact N-O 3.11Å; H177-Y201 AromaticContact ND1-CD2 3.66Å; H177-Y201 AromaticContact ND1-CG 3.69Å; H177-Y201 AromaticContact NE2-CD2 3.24Å; H177-Y201 WeakPolarHBondContact NE2-CD2 3.42Å; H177-Y201 AromaticContact NE2-CE2 3.77Å; N178-Y201 PolarHBondContact N-O 3.16Å; Y201-K222 PolarHBondContact N-O 2.82Å; Y201-S223 WeakPolarHBondContact CA-O 3.42Å; Y201-S223 PolarHBondContact N-O 2.85Å
202	N	97.7	Very high	96.3	Very high	12 Å²	12	39.1 Å²	39.1	6%	0.064	21%	0.21	C	C	.	.	S	Bend	trans	-122.3	-161.8	163	-78.2	-78.9	0	0	0	107.8	I175 N178 R179 L180 L199 L204 N224	I175-N202 PolarHBondContact O-ND2 2.98Å; N178-N202 WeakPolarHBondContact CA-OD1 3.09Å; N178-N202 WeakPolarHBondContact CB-OD1 3.35Å; N178-N202 PolarHBondContact O-OD1 3.13Å; R179-N202 PolarHBondContact N-OD1 3.19Å; L180-N202 HydrophobicContact CB-CB 4.13Å; L180-N202 WeakPolarHBondContact CB-OD1 3.36Å; L180-N202 PolarHBondContact N-OD1 2.96Å; L199-N202 PolarHBondContact O-ND2 3Å; N202-L204 HydrophobicContact CB-CD1 4.4Å; N202-L204 HydrophobicContact CB-CG 4.16Å; N202-N224 WeakPolarHBondContact CA-OD1 3.28Å; N202-N224 WeakPolarHBondContact CB-OD1 3.28Å; N202-N224 PolarHBondContact N-OD1 3.04Å; N202-N224 PolarHBondContact O-OD1 3.08Å
203	K	97.7	Very high	96.5	Very high	91 Å²	91	36.3 Å²	36.3	40%	0.396	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	34.4	176.7	-54.4	176.8	-175.1	172.9	0	111.5	L180 E181 G182 N224	L180-K203 CarbonylContact O-C 3.6Å; L180-K203 WeakPolarHBondContact O-CA 3.3Å; L180-K203 WeakPolarHBondContact O-CB 3.44Å; L180-K203 PolarHBondContact O-N 2.99Å; E181-K203 WeakPolarHBondContact CA-O 3.31Å; E181-K203 HydrophobicContact CB-CB 3.83Å; E181-K203 HydrophobicContact CB-CD 4.3Å; E181-K203 IonicContact OE2-NZ 2.83Å; G182-K203 PolarHBondContact N-O 3.27Å; K203-N224 PolarHBondContact N-OD1 3.09Å
204	L	98.1	Very high	96.4	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	140.5	-177.8	-62	167.4	0	0	0	110.8	L180 G182 I184 L199 N202 V221 N224 Q225 L226	L180-L204 HydrophobicContact CB-CD2 4.09Å; G182-L204 CarbonylContact O-C 3.45Å; G182-L204 VanDerWaalsContact O-CA 3.25Å; G182-L204 WeakPolarHBondContact O-CA 3.25Å; I184-L204 HydrophobicContact CG2-CD1 4.34Å; L199-L204 HydrophobicContact CB-CD1 3.89Å; L199-L204 HydrophobicContact CD1-CD1 4.12Å; L199-L204 HydrophobicContact CD2-CD1 3.98Å; L199-L204 HydrophobicContact CG-CD1 4.23Å; N202-L204 HydrophobicContact CB-CD1 4.4Å; N202-L204 HydrophobicContact CB-CG 4.16Å; L204-V221 HydrophobicContact CD1-CG1 4.12Å; L204-N224 HydrophobicContact CB-CB 4.33Å; L204-N224 WeakPolarHBondContact CB-OD1 3.5Å; L204-N224 PolarHBondContact N-OD1 2.91Å; L204-Q225 CarbonylContact O-C 3.3Å; L204-Q225 VanDerWaalsContact O-CA 3.29Å; L204-Q225 WeakPolarHBondContact O-CA 3.29Å; L204-Q225 PolarHBondContact O-N 3.3Å; L204-L226 HydrophobicContact CB-CD2 4.33Å; L204-L226 PolarHBondContact O-N 3.17Å; L204-L226 VanDerWaalsContact O-N 3.17Å
205	T	97.7	Very high	96.4	Very high	47 Å²	47	45.7 Å²	45.7	29%	0.288	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	-23	-176.9	59	0	0	0	0	113.4	G182 Q225	G182-T205 VanDerWaalsContact C-OG1 3.25Å; G182-T205 WeakPolarHBondContact CA-OG1 3.3Å; G182-T205 PolarHBondContact O-N 3.44Å; G182-T205 PolarHBondContact O-OG1 3.32Å; T205-Q225 HydrophobicContact CG2-CB 4.12Å
206	D	96.3	Very high	96.4	Very high	51 Å²	51	41.7 Å²	41.7	27%	0.273	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	139.3	-178.3	178.6	-83	0	0	0	111	C183 I184 S208	C183-D206 HydrophobicContact CB-CB 4.35Å; I184-D206 WeakPolarHBondContact CG2-O 3.44Å; I184-D206 PolarHBondContact N-O 3.33Å; D206-S208 VanDerWaalsContact OD1-CB 3.25Å; D206-S208 WeakPolarHBondContact OD1-CB 3.46Å; D206-S208 PolarHBondContact OD1-N 2.9Å; D206-S208 PolarHBondContact OD1-OG 3.41Å; D206-S208 PolarHBondContact OD2-OG 3.34Å
207	I	96.2	Very high	96.4	Very high	4 Å²	4	42 Å²	42	2%	0.021	20%	0.203	C	C	.	.			trans	-119	9.8	177.2	58.4	163.5	0	0	0	113.3	I184 A209 I210 V221 L226 P231 L245	I184-I207 HydrophobicContact CG2-CB 4.26Å; I184-I207 HydrophobicContact CG2-CG2 3.75Å; I207-A209 PolarHBondContact O-N 2.88Å; I207-I210 HydrophobicContact CB-CG2 4.31Å; I207-I210 WeakPolarHBondContact O-CB 3.41Å; I207-I210 WeakPolarHBondContact O-CG1 2.88Å; I207-I210 WeakPolarHBondContact O-CG2 3.46Å; I207-I210 PolarHBondContact O-N 3.37Å; I207-V221 HydrophobicContact CG2-CG1 4.11Å; I207-V221 HydrophobicContact CG2-CG2 4.33Å; I207-L226 HydrophobicContact CD1-CD1 4.42Å; I207-L226 HydrophobicContact CG2-CD1 4.06Å; I207-L226 HydrophobicContact CG2-CD2 3.74Å; I207-P231 HydrophobicContact CG1-CG 4.08Å; I207-L245 HydrophobicContact CD1-CD1 4.48Å; I207-L245 HydrophobicContact CD1-CD2 3.97Å
208	S	94	Very high	96.4	Very high	51 Å²	51	42.9 Å²	42.9	36%	0.357	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	-57.9	-26.3	-172.8	-59.2	0	0	0	0	113.3	D206 I210 P231 C233	D206-S208 VanDerWaalsContact OD1-CB 3.25Å; D206-S208 WeakPolarHBondContact OD1-CB 3.46Å; D206-S208 PolarHBondContact OD1-N 2.9Å; D206-S208 PolarHBondContact OD1-OG 3.41Å; D206-S208 PolarHBondContact OD2-OG 3.34Å; S208-I210 PolarHBondContact O-N 3.02Å; S208-P231 VanDerWaalsContact OG-CG 3.24Å; S208-P231 WeakPolarHBondContact OG-CG 3.45Å; S208-C233 PolarHBondContact O-SG 3.19Å
209	A	92.6	Very high	96.4	Very high	36 Å²	36	40.4 Å²	40.4	30%	0.298	20%	0.199	S	C	.	.	G	3₁₀ helix	trans	-72	-10.2	178.1	0	0	0	0	0	114.5	I184 T189 I207 G211	I184-A209 HydrophobicContact CD1-CB 3.76Å; I184-A209 HydrophobicContact CG1-CB 3.77Å; T189-A209 HydrophobicContact CG2-CB 3.72Å; T189-A209 WeakPolarHBondContact CG2-O 3.36Å; I207-A209 PolarHBondContact O-N 2.88Å; A209-G211 PolarHBondContact O-N 3.46Å
210	I	93.9	Very high	96.4	Very high	2 Å²	2	41.2 Å²	41.2	1%	0.01	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-64.6	-18	177.4	58.3	100.3	0	0	0	114.3	I184 I207 S208 N212 L213 L219 I234 L237	I184-I210 HydrophobicContact CD1-CB 4.32Å; I184-I210 HydrophobicContact CD1-CG2 3.42Å; I184-I210 VanDerWaalsContact CD1-CG2 3.42Å; I207-I210 HydrophobicContact CB-CG2 4.31Å; I207-I210 WeakPolarHBondContact O-CB 3.41Å; I207-I210 WeakPolarHBondContact O-CG1 2.88Å; I207-I210 WeakPolarHBondContact O-CG2 3.46Å; I207-I210 PolarHBondContact O-N 3.37Å; S208-I210 PolarHBondContact O-N 3.02Å; I210-N212 PolarHBondContact O-N 2.83Å; I210-L213 WeakPolarHBondContact O-CB 3.44Å; I210-L213 WeakPolarHBondContact O-CG 3.5Å; I210-L213 PolarHBondContact O-N 3.12Å; I210-L219 HydrophobicContact CG2-CD2 4.32Å; I210-I234 HydrophobicContact CD1-CD1 3.72Å; I210-L237 HydrophobicContact CD1-CD1 3.47Å; I210-L237 VanDerWaalsContact CD1-CD1 3.47Å; I210-L237 HydrophobicContact CD1-CD2 4.3Å; I210-L237 HydrophobicContact CD1-CG 3.92Å
211	G	92.8	Very high	96.5	Very high	5 Å²	5	40.7 Å²	40.7	5%	0.052	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-57.3	-15.7	-171.5	0	0	0	0	0	115.7	A209 N236	A209-G211 PolarHBondContact O-N 3.46Å; G211-N236 WeakPolarHBondContact O-CB 3.36Å
212	N	91.2	Very high	96.5	Very high	98 Å²	98	39.4 Å²	39.4	52%	0.524	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	-81.3	-15.5	176.7	-71.2	-18.7	0	0	0	114.1	I210 R214	I210-N212 PolarHBondContact O-N 2.83Å; N212-R214 VanDerWaalsContact C-N 3.26Å; N212-R214 PolarHBondContact O-N 3.42Å
213	L	96	Very high	96.5	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.201	C	C	.	.			trans	-83.1	59.8	-173	-55.1	-178.6	0	0	0	112.2	L188 F191 M194 L197 I210 F215 L216 L237	L188-L213 WeakPolarHBondContact O-CD2 3.4Å; F191-L213 WeakPolarHBondContact O-CD2 3.38Å; M194-L213 HydrophobicContact CB-CD2 4.26Å; M194-L213 HydrophobicContact SD-CD1 3.86Å; L197-L213 HydrophobicContact CD2-CD1 4.17Å; I210-L213 WeakPolarHBondContact O-CB 3.44Å; I210-L213 WeakPolarHBondContact O-CG 3.5Å; I210-L213 PolarHBondContact O-N 3.12Å; L213-F215 PolarHBondContact O-N 3.17Å; L213-L216 HydrophobicContact CB-CB 4.03Å; L213-L216 HydrophobicContact CB-CD2 4.39Å; L213-L216 HydrophobicContact CD1-CD2 4.25Å; L213-L216 WeakPolarHBondContact O-CB 3.24Å; L213-L216 PolarHBondContact O-N 3.22Å; L213-L237 HydrophobicContact CB-CD2 4.33Å; L213-L237 VanDerWaalsContact O-CD2 3.3Å; L213-L237 WeakPolarHBondContact O-CD2 3.43Å
214	R	95.7	Very high	96.6	Very high	164 Å²	164	36.1 Å²	36.1	62%	0.619	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-18.5	-170.2	-66.9	-179.6	172.5	119.2	-2.1	116	N212 Q239	N212-R214 VanDerWaalsContact C-N 3.26Å; N212-R214 PolarHBondContact O-N 3.42Å; R214-Q239 WeakPolarHBondContact O-CG 3.11Å
215	F	97.7	Very high	96.6	Very high	114 Å²	114	40 Å²	40	50%	0.5	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.1	3.5	177.1	-68.3	-85.5	0	0	0	113.8	A192 M194 L213 Q217	A192-F215 VanDerWaalsContact O-CD2 3.24Å; A192-F215 WeakPolarHBondContact O-CD2 3.29Å; M194-F215 CarbonylContact O-C 3.42Å; L213-F215 PolarHBondContact O-N 3.17Å; F215-Q217 WeakPolarHBondContact O-CG 3.09Å; F215-Q217 PolarHBondContact O-N 3.38Å
216	L	98.4	Very high	96.6	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.191	C	C	.	.			trans	-65.7	124.4	-176.3	-163.4	69.5	0	0	0	110.4	M194 L197 L213 L219 L237 Q239 L240	M194-L216 HydrophobicContact CB-CD1 4.42Å; M194-L216 HydrophobicContact CG-CD1 3.74Å; M194-L216 VanDerWaalsContact O-CA 3.29Å; M194-L216 WeakPolarHBondContact O-CA 3.36Å; M194-L216 PolarHBondContact O-N 3.15Å; M194-L216 VanDerWaalsContact O-N 3.15Å; M194-L216 HydrophobicContact SD-CD1 4.42Å; L197-L216 HydrophobicContact CB-CD1 3.98Å; L213-L216 HydrophobicContact CB-CB 4.03Å; L213-L216 HydrophobicContact CB-CD2 4.39Å; L213-L216 HydrophobicContact CD1-CD2 4.25Å; L213-L216 WeakPolarHBondContact O-CB 3.24Å; L213-L216 PolarHBondContact O-N 3.22Å; L216-L219 HydrophobicContact CD2-CB 3.78Å; L216-L219 HydrophobicContact CD2-CD1 4.21Å; L216-L219 HydrophobicContact CD2-CD2 4.18Å; L216-L219 HydrophobicContact CD2-CG 4.26Å; L216-L237 HydrophobicContact CB-CD1 4.41Å; L216-L237 HydrophobicContact CB-CD2 4.49Å; L216-L237 HydrophobicContact CD2-CD1 3.79Å; L216-Q239 CarbonylContact O-C 3.37Å; L216-L240 HydrophobicContact CD2-CD1 4.4Å; L216-L240 HydrophobicContact CG-CD1 4.27Å; L216-L240 VanDerWaalsContact O-CA 3.27Å; L216-L240 WeakPolarHBondContact O-CA 3.36Å; L216-L240 PolarHBondContact O-N 2.75Å; L216-L240 VanDerWaalsContact O-N 3.13Å
217	Q	98.6	Very high	96.6	Very high	52 Å²	52	41.8 Å²	41.8	24%	0.243	21%	0.207	C	C	.	.			trans	-106.1	-32	179.9	-60	-179.2	-3.4	0	0	111.5	K195 F215 Q239 K241 T242	K195-Q217 WeakPolarHBondContact O-CA 3.05Å; K195-Q217 PolarHBondContact O-N 3.24Å; F215-Q217 WeakPolarHBondContact O-CG 3.09Å; F215-Q217 PolarHBondContact O-N 3.38Å; Q217-Q239 WeakPolarHBondContact CA-O 3.34Å; Q217-Q239 HydrophobicContact CG-CB 4.48Å; Q217-K241 WeakPolarHBondContact O-CA 3.49Å; Q217-K241 PolarHBondContact O-N 3.26Å; Q217-T242 PolarHBondContact O-N 3.49Å
218	T	98.6	Very high	96.7	Very high	18 Å²	18	42.6 Å²	42.6	11%	0.11	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	122.1	-179.5	-60	0	0	0	0	110.3	K195 Q196 L197 Y198 V220 T242	K195-T218 PolarHBondContact O-N 2.85Å; Q196-T218 WeakPolarHBondContact CA-O 3.37Å; L197-T218 PolarHBondContact N-O 2.89Å; Y198-T218 HydrophobicContact CE1-CG2 3.99Å; T218-V220 HydrophobicContact CG2-CG2 3.88Å; T218-T242 WeakPolarHBondContact CA-O 3.19Å; T218-T242 HydrophobicContact CG2-CG2 4.27Å
219	L	98.4	Very high	96.8	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	119.5	171.6	-179.8	57.4	0	0	0	109.7	L197 L199 I210 L216 V221 I234 L240 T242 L243 D244	L197-L219 HydrophobicContact CB-CD1 4.1Å; L197-L219 HydrophobicContact CD2-CD1 3.95Å; L197-L219 HydrophobicContact CG-CD1 4.11Å; L199-L219 HydrophobicContact CD1-CD1 4.36Å; I210-L219 HydrophobicContact CG2-CD2 4.32Å; L216-L219 HydrophobicContact CD2-CB 3.78Å; L216-L219 HydrophobicContact CD2-CD1 4.21Å; L216-L219 HydrophobicContact CD2-CD2 4.18Å; L216-L219 HydrophobicContact CD2-CG 4.26Å; L219-V221 HydrophobicContact CD1-CG2 3.63Å; L219-V221 HydrophobicContact CD2-CG2 4.36Å; L219-V221 HydrophobicContact CG-CG2 3.79Å; L219-I234 HydrophobicContact CD2-CD1 4.42Å; L219-L240 HydrophobicContact CB-CD1 4.09Å; L219-T242 PolarHBondContact N-O 2.81Å; L219-L243 HydrophobicContact CB-CD1 4.04Å; L219-L243 HydrophobicContact CD2-CD1 3.89Å; L219-L243 HydrophobicContact CG-CD1 4.08Å; L219-L243 WeakPolarHBondContact O-CA 3.24Å; L219-D244 PolarHBondContact O-N 3.43Å
220	V	98.3	Very high	97.1	Very high	16 Å²	16	42.3 Å²	42.3	10%	0.097	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	106.2	179.6	-175.2	0	0	0	0	109.7	L197 Y198 L199 T200 T218 K222 D244	L197-V220 PolarHBondContact O-N 2.83Å; Y198-V220 HydrophobicContact CD1-CB 3.78Å; Y198-V220 HydrophobicContact CD1-CG1 4.48Å; Y198-V220 HydrophobicContact CD1-CG2 3.66Å; Y198-V220 HydrophobicContact CE1-CB 4.35Å; Y198-V220 HydrophobicContact CE1-CG2 3.7Å; L199-V220 PolarHBondContact N-O 3.37Å; T200-V220 PolarHBondContact N-O 3.07Å; T200-V220 VanDerWaalsContact OG1-CG1 3.24Å; T200-V220 WeakPolarHBondContact OG1-CG1 3.24Å; T218-V220 HydrophobicContact CG2-CG2 3.88Å; V220-K222 HydrophobicContact CG1-CB 4.43Å; V220-D244 CarbonylContact C-O 3.28Å; V220-D244 HydrophobicContact CB-CB 4.44Å; V220-D244 HydrophobicContact CG1-CB 4.01Å; V220-D244 HydrophobicContact CG2-CB 4.33Å
221	V	98	Very high	97.3	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.217	C	C	.	.			trans	-121	22.9	-178.9	-155.3	0	0	0	0	111.4	L199 L204 I207 L219 N224 L226 D244 L245 N248	L199-V221 HydrophobicContact CB-CG1 4.05Å; L199-V221 HydrophobicContact CB-CG2 4.4Å; L199-V221 HydrophobicContact CD1-CG1 4.47Å; L199-V221 HydrophobicContact CD1-CG2 4.12Å; L204-V221 HydrophobicContact CD1-CG1 4.12Å; I207-V221 HydrophobicContact CG2-CG1 4.11Å; I207-V221 HydrophobicContact CG2-CG2 4.33Å; L219-V221 HydrophobicContact CD1-CG2 3.63Å; L219-V221 HydrophobicContact CD2-CG2 4.36Å; L219-V221 HydrophobicContact CG-CG2 3.79Å; V221-N224 HydrophobicContact CG1-CB 4.35Å; V221-N224 PolarHBondContact O-ND2 3.36Å; V221-L226 HydrophobicContact CB-CD1 4.16Å; V221-L226 HydrophobicContact CG1-CD1 3.93Å; V221-L226 HydrophobicContact CG1-CG 4.46Å; V221-D244 PolarHBondContact N-O 2.99Å; V221-L245 HydrophobicContact CB-CD2 3.86Å; V221-L245 HydrophobicContact CG2-CD2 3.95Å; V221-N248 PolarHBondContact O-ND2 3.26Å; V221-N248 VanDerWaalsContact O-ND2 3.14Å
222	K	98.3	Very high	97.6	Very high	66 Å²	66	48 Å²	48	29%	0.287	24%	0.241	S	C	.	.			trans	-53.3	147.3	176.9	167.7	176.7	-175.2	174	0	114	T200 Y201 V220 N224 D244 S246	T200-K222 WeakPolarHBondContact CA-O 3.41Å; T200-K222 HydrophobicContact CG2-CB 3.93Å; T200-K222 HydrophobicContact CG2-CG 4.07Å; T200-K222 WeakPolarHBondContact CG2-O 3.3Å; Y201-K222 PolarHBondContact N-O 2.82Å; V220-K222 HydrophobicContact CG1-CB 4.43Å; K222-N224 PolarHBondContact O-ND2 3.27Å; K222-D244 PolarHBondContact N-O 3.39Å; K222-S246 CarbonylContact C-O 3.45Å; K222-S246 WeakPolarHBondContact CA-O 3.08Å; K222-S246 WeakPolarHBondContact CG-O 3.45Å
223	S	98.4	Very high	97.8	Very high	20 Å²	20	44.6 Å²	44.6	14%	0.14	22%	0.224	C	C	.	.	S	Bend	trans	56.2	55.9	176.3	-60.3	0	0	0	0	112.7	Y201 S246 K247	Y201-S223 WeakPolarHBondContact CA-O 3.42Å; Y201-S223 PolarHBondContact N-O 2.85Å; S223-S246 PolarHBondContact N-O 2.8Å; S223-K247 WeakPolarHBondContact CA-O 3.41Å; S223-K247 PolarHBondContact N-O 3Å; S223-K247 WeakPolarHBondContact OG-CD 3.41Å
224	N	98.5	Very high	97.9	Very high	14 Å²	14	44.7 Å²	44.7	8%	0.075	23%	0.225	C	C	.	.	S	Bend	trans	-121.7	-157.9	171.1	-86.6	-81.6	0	0	0	109	L199 N202 K203 L204 V221 K222 L226 N248	L199-N224 PolarHBondContact O-ND2 2.78Å; N202-N224 WeakPolarHBondContact CA-OD1 3.28Å; N202-N224 WeakPolarHBondContact CB-OD1 3.28Å; N202-N224 PolarHBondContact N-OD1 3.04Å; N202-N224 PolarHBondContact O-OD1 3.08Å; K203-N224 PolarHBondContact N-OD1 3.09Å; L204-N224 HydrophobicContact CB-CB 4.33Å; L204-N224 WeakPolarHBondContact CB-OD1 3.5Å; L204-N224 PolarHBondContact N-OD1 2.91Å; V221-N224 HydrophobicContact CG1-CB 4.35Å; V221-N224 PolarHBondContact O-ND2 3.36Å; K222-N224 PolarHBondContact O-ND2 3.27Å; N224-L226 HydrophobicContact CB-CG 4.33Å; N224-N248 VanDerWaalsContact CA-OD1 3.23Å; N224-N248 WeakPolarHBondContact CA-OD1 3.44Å; N224-N248 WeakPolarHBondContact CB-OD1 3.42Å; N224-N248 PolarHBondContact N-OD1 3.27Å; N224-N248 PolarHBondContact O-OD1 2.79Å
225	Q	98.1	Very high	98	Very high	81 Å²	81	37 Å²	37	38%	0.379	20%	0.197	S	C	.	.			trans	-119.2	28.4	178.2	-58.5	-177.6	11.8	0	0	111.3	L204 T205 Q227 N248	L204-Q225 CarbonylContact O-C 3.3Å; L204-Q225 VanDerWaalsContact O-CA 3.29Å; L204-Q225 WeakPolarHBondContact O-CA 3.29Å; L204-Q225 PolarHBondContact O-N 3.3Å; T205-Q225 HydrophobicContact CG2-CB 4.12Å; Q225-Q227 PolarHBondContact O-N 3.12Å; Q225-N248 PolarHBondContact N-OD1 3.4Å
226	L	98.5	Very high	98.1	Very high	4 Å²	4	35.4 Å²	35.4	2%	0.021	19%	0.193	C	C	.	.			trans	-60.5	136.6	179	-54.6	179.7	0	0	0	109.5	L204 I207 V221 N224 L245 N248 R249 L250	L204-L226 HydrophobicContact CB-CD2 4.33Å; L204-L226 PolarHBondContact O-N 3.17Å; L204-L226 VanDerWaalsContact O-N 3.17Å; I207-L226 HydrophobicContact CD1-CD1 4.42Å; I207-L226 HydrophobicContact CG2-CD1 4.06Å; I207-L226 HydrophobicContact CG2-CD2 3.74Å; V221-L226 HydrophobicContact CB-CD1 4.16Å; V221-L226 HydrophobicContact CG1-CD1 3.93Å; V221-L226 HydrophobicContact CG1-CG 4.46Å; N224-L226 HydrophobicContact CB-CG 4.33Å; L226-L245 HydrophobicContact CD1-CD2 3.95Å; L226-N248 HydrophobicContact CB-CB 3.96Å; L226-N248 WeakPolarHBondContact CB-OD1 3.25Å; L226-N248 WeakPolarHBondContact CG-OD1 3.17Å; L226-N248 PolarHBondContact N-OD1 3.21Å; L226-R249 CarbonylContact O-C 3.14Å; L226-R249 VanDerWaalsContact O-C 3.28Å; L226-R249 VanDerWaalsContact O-CA 3.25Å; L226-R249 WeakPolarHBondContact O-CA 3.31Å; L226-R249 WeakPolarHBondContact O-CB 3.28Å; L226-R249 PolarHBondContact O-N 3.09Å; L226-L250 HydrophobicContact CB-CD2 3.98Å; L226-L250 HydrophobicContact CB-CG 4.27Å
227	Q	96.9	Very high	98	Very high	133 Å²	133	35.4 Å²	35.4	62%	0.621	19%	0.193	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-135.5	163	-176.9	62.3	176.4	49.9	0	0	111.3	Q225 R249	Q225-Q227 PolarHBondContact O-N 3.12Å; Q227-R249 WeakPolarHBondContact CA-O 3.39Å; Q227-R249 HydrophobicContact CB-CB 4.42Å
228	G	96.7	Very high	98	Very high	20 Å²	20	36.2 Å²	36.2	21%	0.206	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	72.7	-161.6	-179.8	0	0	0	0	0	112.9	L250 T251	G228-L250 CarbonylContact O-C 3.21Å; G228-L250 VanDerWaalsContact O-CA 3.28Å; G228-L250 WeakPolarHBondContact O-CA 3.21Å; G228-L250 WeakPolarHBondContact O-CD2 3.08Å; G228-T251 VanDerWaalsContact C-OG1 3.25Å; G228-T251 WeakPolarHBondContact CA-OG1 3.33Å; G228-T251 PolarHBondContact O-N 3.5Å; G228-T251 PolarHBondContact O-OG1 2.61Å
229	P	98	Very high	98	Very high	81 Å²	81	38.9 Å²	38.9	53%	0.526	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	152.3	179.3	30.1	-34.8	0	0	0	111.9	P231 K252	P229-P231 WeakPolarHBondContact O-CD 3.09Å; P229-K252 CarbonylContact C-O 3.2Å; P229-K252 WeakPolarHBondContact CA-O 3.45Å; P229-K252 HydrophobicContact CB-CB 4.08Å
230	I	98.3	Very high	98	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.005	21%	0.213	C	C	.	.	P	Polyproline II helix	trans	-59.1	127.3	163.4	-63.3	175	0	0	0	108.2	I234 L245 L250 K252 I253 T254 F266 V268	I230-I234 HydrophobicContact CG2-CB 4.15Å; I230-I234 HydrophobicContact CG2-CG1 4.31Å; I230-I234 HydrophobicContact CG2-CG2 4.01Å; I230-L245 HydrophobicContact CD1-CD1 3.67Å; I230-L245 HydrophobicContact CG1-CD1 3.87Å; I230-L245 HydrophobicContact CG2-CD1 4.32Å; I230-L250 HydrophobicContact CD1-CD1 4.35Å; I230-L250 HydrophobicContact CG1-CD1 3.9Å; I230-L250 HydrophobicContact CG1-CD2 4.21Å; I230-K252 PolarHBondContact N-O 3.39Å; I230-I253 HydrophobicContact CD1-CB 4.28Å; I230-I253 HydrophobicContact CD1-CG1 4.01Å; I230-I253 HydrophobicContact CD1-CG2 4.17Å; I230-T254 HydrophobicContact CB-CG2 4.34Å; I230-T254 HydrophobicContact CG2-CG2 4.15Å; I230-T254 WeakPolarHBondContact O-CB 3.42Å; I230-T254 WeakPolarHBondContact O-CG2 3.3Å; I230-F266 HydrophobicContact CD1-CE2 4.2Å; I230-F266 HydrophobicContact CD1-CZ 3.96Å; I230-V268 HydrophobicContact CD1-CG1 4.12Å
231	P	97.7	Very high	98	Very high	22 Å²	22	42.6 Å²	42.6	14%	0.143	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-61.6	138.6	-176.1	-26.4	35.7	0	0	0	113.9	I207 S208 P229 C233 I234	I207-P231 HydrophobicContact CG1-CG 4.08Å; S208-P231 VanDerWaalsContact OG-CG 3.24Å; S208-P231 WeakPolarHBondContact OG-CG 3.45Å; P229-P231 WeakPolarHBondContact O-CD 3.09Å; P231-C233 PolarHBondContact O-N 3.12Å; P231-I234 VanDerWaalsContact O-CB 3.31Å; P231-I234 WeakPolarHBondContact O-CB 3.41Å; P231-I234 VanDerWaalsContact O-CG2 3.3Å; P231-I234 WeakPolarHBondContact O-CG2 3.38Å; P231-I234 PolarHBondContact O-N 3.09Å
232	D	98.4	Very high	98.1	Very high	104 Å²	104	43.9 Å²	43.9	56%	0.556	24%	0.236	S	C	*	.	G	3₁₀ helix	trans	-54.8	-29.5	-179.8	-75.1	-10.8	0	0	0	114.3	I234 G235 T254 N256	D232-I234 PolarHBondContact O-N 3.41Å; D232-I234 VanDerWaalsContact O-N 3.13Å; D232-G235 PolarHBondContact O-N 3.1Å; D232-G235 VanDerWaalsContact O-N 3.16Å; D232-T254 VanDerWaalsContact OD1-CB 3.31Å; D232-T254 WeakPolarHBondContact OD1-CB 3.5Å; D232-T254 PolarHBondContact OD1-OG1 2.96Å; D232-N256 WeakPolarHBondContact CB-ND2 3.43Å; D232-N256 WeakPolarHBondContact O-CB 3.22Å; D232-N256 PolarHBondContact O-ND2 3.44Å
233	C	96.8	Very high	98.1	Very high	27 Å²	27	40.7 Å²	40.7	18%	0.182	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-64.2	-12.9	177.7	66.9	0	0	0	0	113.4	S208 P231 G235 N236	S208-C233 PolarHBondContact O-SG 3.19Å; P231-C233 PolarHBondContact O-N 3.12Å; C233-G235 PolarHBondContact O-N 2.56Å; C233-N236 VanDerWaalsContact O-CB 3.27Å; C233-N236 WeakPolarHBondContact O-CB 3.44Å; C233-N236 PolarHBondContact O-N 3.01Å
234	I	98.1	Very high	98.1	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.005	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-55.2	-34.1	171.7	-159.7	71.8	0	0	0	110.9	I210 L219 I230 P231 D232 N236 L237 L240 L243 T254 I257 C260	I210-I234 HydrophobicContact CD1-CD1 3.72Å; L219-I234 HydrophobicContact CD2-CD1 4.42Å; I230-I234 HydrophobicContact CG2-CB 4.15Å; I230-I234 HydrophobicContact CG2-CG1 4.31Å; I230-I234 HydrophobicContact CG2-CG2 4.01Å; P231-I234 VanDerWaalsContact O-CB 3.31Å; P231-I234 WeakPolarHBondContact O-CB 3.41Å; P231-I234 VanDerWaalsContact O-CG2 3.3Å; P231-I234 WeakPolarHBondContact O-CG2 3.38Å; P231-I234 PolarHBondContact O-N 3.09Å; D232-I234 PolarHBondContact O-N 3.41Å; D232-I234 VanDerWaalsContact O-N 3.13Å; I234-N236 PolarHBondContact O-N 3.06Å; I234-N236 VanDerWaalsContact O-N 3.14Å; I234-L237 HydrophobicContact CD1-CD1 4.03Å; I234-L237 WeakPolarHBondContact O-CB 3.46Å; I234-L237 PolarHBondContact O-N 3.04Å; I234-L240 HydrophobicContact CD1-CD2 4.38Å; I234-L243 HydrophobicContact CD1-CD1 4.19Å; I234-L243 HydrophobicContact CD1-CD2 3.94Å; I234-L243 HydrophobicContact CG1-CD2 3.92Å; I234-T254 HydrophobicContact CG2-CG2 3.47Å; I234-T254 VanDerWaalsContact CG2-CG2 3.47Å; I234-I257 HydrophobicContact CG1-CD1 4.32Å; I234-I257 HydrophobicContact CG2-CD1 4.27Å; I234-C260 PolarHBondContact O-SG 3.21Å
235	G	98.2	Very high	98.1	Very high	3 Å²	3	40 Å²	40	3%	0.031	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-65.7	-13.9	178	0	0	0	0	0	114.3	D232 C233 L237 N256 N259	D232-G235 PolarHBondContact O-N 3.1Å; D232-G235 VanDerWaalsContact O-N 3.16Å; C233-G235 PolarHBondContact O-N 2.56Å; G235-L237 PolarHBondContact O-N 3.15Å; G235-N256 VanDerWaalsContact CA-O 3.28Å; G235-N256 WeakPolarHBondContact CA-O 3.18Å; G235-N259 WeakPolarHBondContact O-CB 3.31Å
236	N	97.9	Very high	98.1	Very high	81 Å²	81	36.2 Å²	36.2	43%	0.433	20%	0.199	S	C	.	.	G	3₁₀ helix	trans	-73.8	-18.3	172.9	-63.2	-14.4	0	0	0	112.2	G211 C233 I234 T238	G211-N236 WeakPolarHBondContact O-CB 3.36Å; C233-N236 VanDerWaalsContact O-CB 3.27Å; C233-N236 WeakPolarHBondContact O-CB 3.44Å; C233-N236 PolarHBondContact O-N 3.01Å; I234-N236 PolarHBondContact O-N 3.06Å; I234-N236 VanDerWaalsContact O-N 3.14Å; N236-T238 PolarHBondContact O-N 2.93Å
237	L	97.9	Very high	98.2	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.218	C	C	.	.			trans	-84.3	60.8	-176.9	-53.6	-167.6	0	0	0	111.7	I210 L213 L216 I234 G235 Q239 L240	I210-L237 HydrophobicContact CD1-CD1 3.47Å; I210-L237 VanDerWaalsContact CD1-CD1 3.47Å; I210-L237 HydrophobicContact CD1-CD2 4.3Å; I210-L237 HydrophobicContact CD1-CG 3.92Å; L213-L237 HydrophobicContact CB-CD2 4.33Å; L213-L237 VanDerWaalsContact O-CD2 3.3Å; L213-L237 WeakPolarHBondContact O-CD2 3.43Å; L216-L237 HydrophobicContact CB-CD1 4.41Å; L216-L237 HydrophobicContact CB-CD2 4.49Å; L216-L237 HydrophobicContact CD2-CD1 3.79Å; I234-L237 HydrophobicContact CD1-CD1 4.03Å; I234-L237 WeakPolarHBondContact O-CB 3.46Å; I234-L237 PolarHBondContact O-N 3.04Å; G235-L237 PolarHBondContact O-N 3.15Å; L237-Q239 PolarHBondContact O-N 3.29Å; L237-L240 HydrophobicContact CB-CB 4.01Å; L237-L240 HydrophobicContact CB-CD2 4.31Å; L237-L240 HydrophobicContact CD1-CD1 4.31Å; L237-L240 HydrophobicContact CD1-CD2 4.18Å; L237-L240 WeakPolarHBondContact O-CB 3.31Å; L237-L240 PolarHBondContact O-N 3.35Å
238	T	98	Very high	98.2	Very high	69 Å²	69	34.8 Å²	34.8	42%	0.423	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-14.3	-175	60.1	0	0	0	0	114.6	N236	N236-T238 PolarHBondContact O-N 2.93Å
239	Q	98.5	Very high	98.3	Very high	73 Å²	73	40.6 Å²	40.6	34%	0.341	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-2.4	175.4	-60.3	-56.2	-62.8	0	0	113.9	R214 L216 Q217 L237 K241	R214-Q239 WeakPolarHBondContact O-CG 3.11Å; L216-Q239 CarbonylContact O-C 3.37Å; Q217-Q239 WeakPolarHBondContact CA-O 3.34Å; Q217-Q239 HydrophobicContact CG-CB 4.48Å; L237-Q239 PolarHBondContact O-N 3.29Å; Q239-K241 PolarHBondContact O-N 3.22Å
240	L	98.7	Very high	98.4	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.183	C	C	.	.			trans	-69	122.7	-172.2	-162.8	68.1	0	0	0	110.9	L216 L219 I234 L237 L243 L262 L263	L216-L240 HydrophobicContact CD2-CD1 4.4Å; L216-L240 HydrophobicContact CG-CD1 4.27Å; L216-L240 VanDerWaalsContact O-CA 3.27Å; L216-L240 WeakPolarHBondContact O-CA 3.36Å; L216-L240 PolarHBondContact O-N 2.75Å; L216-L240 VanDerWaalsContact O-N 3.13Å; L219-L240 HydrophobicContact CB-CD1 4.09Å; I234-L240 HydrophobicContact CD1-CD2 4.38Å; L237-L240 HydrophobicContact CB-CB 4.01Å; L237-L240 HydrophobicContact CB-CD2 4.31Å; L237-L240 HydrophobicContact CD1-CD1 4.31Å; L237-L240 HydrophobicContact CD1-CD2 4.18Å; L237-L240 WeakPolarHBondContact O-CB 3.31Å; L237-L240 PolarHBondContact O-N 3.35Å; L240-L243 HydrophobicContact CD2-CB 3.88Å; L240-L243 HydrophobicContact CD2-CD1 4.32Å; L240-L243 HydrophobicContact CD2-CD2 4.16Å; L240-L243 HydrophobicContact CD2-CG 4.35Å; L240-L262 CarbonylContact O-C 3.28Å; L240-L263 HydrophobicContact CD2-CD1 4.25Å; L240-L263 HydrophobicContact CG-CD1 4.1Å; L240-L263 VanDerWaalsContact O-CA 3.26Å; L240-L263 WeakPolarHBondContact O-CA 3.41Å; L240-L263 PolarHBondContact O-N 2.74Å; L240-L263 VanDerWaalsContact O-N 3.09Å
241	K	98.8	Very high	98.4	Very high	94 Å²	94	39.2 Å²	39.2	41%	0.409	20%	0.197	S	C	.	.			trans	-106.3	-30.6	177.5	-63.9	-179.2	-179.3	179.7	0	112.6	Q217 Q239 L262 S264 R265	Q217-K241 WeakPolarHBondContact O-CA 3.49Å; Q217-K241 PolarHBondContact O-N 3.26Å; Q239-K241 PolarHBondContact O-N 3.22Å; K241-L262 WeakPolarHBondContact CA-O 3.26Å; K241-L262 HydrophobicContact CG-CB 4.31Å; K241-S264 PolarHBondContact O-N 3.07Å; K241-S264 PolarHBondContact O-OG 2.94Å; K241-R265 PolarHBondContact O-N 3.16Å
242	T	98.8	Very high	98.4	Very high	27 Å²	27	42 Å²	42	17%	0.166	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	124	179.5	-63.2	0	0	0	0	110.5	Q217 T218 L219 R265	Q217-T242 PolarHBondContact O-N 3.49Å; T218-T242 WeakPolarHBondContact CA-O 3.19Å; T218-T242 HydrophobicContact CG2-CG2 4.27Å; L219-T242 PolarHBondContact N-O 2.81Å; T242-R265 WeakPolarHBondContact CA-O 3.16Å; T242-R265 HydrophobicContact CG2-CB 4.16Å
243	L	98.8	Very high	98.4	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	116	171.2	-179.6	56.7	0	0	0	108.9	L219 I234 L240 L245 I257 L263 R265 F266 L267	L219-L243 HydrophobicContact CB-CD1 4.04Å; L219-L243 HydrophobicContact CD2-CD1 3.89Å; L219-L243 HydrophobicContact CG-CD1 4.08Å; L219-L243 WeakPolarHBondContact O-CA 3.24Å; I234-L243 HydrophobicContact CD1-CD1 4.19Å; I234-L243 HydrophobicContact CD1-CD2 3.94Å; I234-L243 HydrophobicContact CG1-CD2 3.92Å; L240-L243 HydrophobicContact CD2-CB 3.88Å; L240-L243 HydrophobicContact CD2-CD1 4.32Å; L240-L243 HydrophobicContact CD2-CD2 4.16Å; L240-L243 HydrophobicContact CD2-CG 4.35Å; L243-L245 HydrophobicContact CD1-CD1 4.05Å; L243-L245 HydrophobicContact CD1-CD2 3.95Å; L243-L245 HydrophobicContact CD1-CG 3.8Å; L243-L245 HydrophobicContact CD2-CD1 4.14Å; L243-L245 HydrophobicContact CG-CD1 4.12Å; L243-L245 HydrophobicContact CG-CG 4.03Å; L243-I257 HydrophobicContact CD2-CD1 3.97Å; L243-L263 HydrophobicContact CB-CD1 3.89Å; L243-R265 PolarHBondContact N-O 3.04Å; L243-F266 HydrophobicContact CB-CD2 4.09Å; L243-F266 HydrophobicContact CD2-CD2 3.94Å; L243-F266 HydrophobicContact CD2-CE2 3.7Å; L243-F266 HydrophobicContact CG-CD2 4.08Å; L243-F266 HydrophobicContact CG-CE2 4.16Å; L243-F266 WeakPolarHBondContact O-CA 3.28Å; L243-L267 PolarHBondContact O-N 2.68Å
244	D	98.8	Very high	98.5	Very high	19 Å²	19	37 Å²	37	10%	0.102	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	108.6	175.5	-178.3	-3.7	0	0	0	110.3	L219 V220 V221 K222 S246 L267	L219-D244 PolarHBondContact O-N 3.43Å; V220-D244 CarbonylContact C-O 3.28Å; V220-D244 HydrophobicContact CB-CB 4.44Å; V220-D244 HydrophobicContact CG1-CB 4.01Å; V220-D244 HydrophobicContact CG2-CB 4.33Å; V221-D244 PolarHBondContact N-O 2.99Å; K222-D244 PolarHBondContact N-O 3.39Å; D244-S246 WeakPolarHBondContact OD1-CB 3.11Å; D244-S246 PolarHBondContact OD1-N 3.19Å; D244-S246 PolarHBondContact OD1-OG 2.85Å; D244-L267 HydrophobicContact CB-CB 4.19Å; D244-L267 HydrophobicContact CB-CD1 4.1Å
245	L	98.8	Very high	98.5	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	20%	0.2	C	C	.	.			trans	-118	17.1	177.3	-55.8	174.3	0	0	0	111.1	I207 V221 L226 I230 L243 N248 L250 L267 V268 N271	I207-L245 HydrophobicContact CD1-CD1 4.48Å; I207-L245 HydrophobicContact CD1-CD2 3.97Å; V221-L245 HydrophobicContact CB-CD2 3.86Å; V221-L245 HydrophobicContact CG2-CD2 3.95Å; L226-L245 HydrophobicContact CD1-CD2 3.95Å; I230-L245 HydrophobicContact CD1-CD1 3.67Å; I230-L245 HydrophobicContact CG1-CD1 3.87Å; I230-L245 HydrophobicContact CG2-CD1 4.32Å; L243-L245 HydrophobicContact CD1-CD1 4.05Å; L243-L245 HydrophobicContact CD1-CD2 3.95Å; L243-L245 HydrophobicContact CD1-CG 3.8Å; L243-L245 HydrophobicContact CD2-CD1 4.14Å; L243-L245 HydrophobicContact CG-CD1 4.12Å; L243-L245 HydrophobicContact CG-CG 4.03Å; L245-N248 PolarHBondContact O-ND2 3.14Å; L245-L250 HydrophobicContact CB-CD1 3.69Å; L245-L250 HydrophobicContact CD1-CD1 3.92Å; L245-L250 HydrophobicContact CG-CD1 4.4Å; L245-L267 PolarHBondContact N-O 3.07Å; L245-V268 HydrophobicContact CB-CG1 4.32Å; L245-N271 PolarHBondContact O-ND2 2.88Å; L245-N271 VanDerWaalsContact O-ND2 3.13Å
246	S	98.8	Very high	98.5	Very high	2 Å²	2	44.3 Å²	44.3	1%	0.014	21%	0.214	C	C	.	.			trans	-61.4	155.7	-177.1	-60.3	0	0	0	0	112.3	K222 S223 D244 N248 L267 V268 D269	K222-S246 CarbonylContact C-O 3.45Å; K222-S246 WeakPolarHBondContact CA-O 3.08Å; K222-S246 WeakPolarHBondContact CG-O 3.45Å; S223-S246 PolarHBondContact N-O 2.8Å; D244-S246 WeakPolarHBondContact OD1-CB 3.11Å; D244-S246 PolarHBondContact OD1-N 3.19Å; D244-S246 PolarHBondContact OD1-OG 2.85Å; S246-N248 PolarHBondContact O-ND2 2.97Å; S246-L267 PolarHBondContact N-O 3.27Å; S246-L267 WeakPolarHBondContact OG-CB 3.43Å; S246-V268 PolarHBondContact OG-N 3.03Å; S246-D269 CarbonylContact C-O 3.42Å; S246-D269 WeakPolarHBondContact CA-O 3.42Å; S246-D269 VanDerWaalsContact CB-O 3.26Å; S246-D269 WeakPolarHBondContact CB-O 3.36Å; S246-D269 PolarHBondContact OG-N 2.75Å; S246-D269 PolarHBondContact OG-OD2 3.48Å
247	K	98.7	Very high	98.5	Very high	93 Å²	93	40.4 Å²	40.4	40%	0.404	19%	0.193	S	C	.	.	S	Bend	trans	58	52.6	-179.9	-58.6	-174.9	174.5	-167.1	0	112.4	S223 D269 Y270	S223-K247 WeakPolarHBondContact CA-O 3.41Å; S223-K247 PolarHBondContact N-O 3Å; S223-K247 WeakPolarHBondContact OG-CD 3.41Å; K247-D269 PolarHBondContact N-O 3.44Å; K247-Y270 VanDerWaalsContact CA-O 3.25Å; K247-Y270 WeakPolarHBondContact CA-O 3.13Å; K247-Y270 HydrophobicContact CG-CD2 4.04Å; K247-Y270 HydrophobicContact CG-CG 4.15Å; K247-Y270 PolarHBondContact N-O 3.28Å
248	N	98.7	Very high	98.6	Very high	13 Å²	13	40.4 Å²	40.4	7%	0.07	19%	0.193	C	C	.	.	S	Bend	trans	-124.6	-156	171.1	-81	-73.3	0	0	0	108.7	V221 N224 Q225 L226 L245 S246 L250 Y270 N271	V221-N248 PolarHBondContact O-ND2 3.26Å; V221-N248 VanDerWaalsContact O-ND2 3.14Å; N224-N248 VanDerWaalsContact CA-OD1 3.23Å; N224-N248 WeakPolarHBondContact CA-OD1 3.44Å; N224-N248 WeakPolarHBondContact CB-OD1 3.42Å; N224-N248 PolarHBondContact N-OD1 3.27Å; N224-N248 PolarHBondContact O-OD1 2.79Å; Q225-N248 PolarHBondContact N-OD1 3.4Å; L226-N248 HydrophobicContact CB-CB 3.96Å; L226-N248 WeakPolarHBondContact CB-OD1 3.25Å; L226-N248 WeakPolarHBondContact CG-OD1 3.17Å; L226-N248 PolarHBondContact N-OD1 3.21Å; L245-N248 PolarHBondContact O-ND2 3.14Å; S246-N248 PolarHBondContact O-ND2 2.97Å; N248-L250 HydrophobicContact CB-CD1 4.5Å; N248-L250 HydrophobicContact CB-CG 4.27Å; N248-Y270 PolarHBondContact N-O 2.77Å; N248-N271 VanDerWaalsContact CA-OD1 3.27Å; N248-N271 WeakPolarHBondContact CA-OD1 3.36Å; N248-N271 WeakPolarHBondContact CB-OD1 3.4Å; N248-N271 PolarHBondContact N-OD1 3.32Å; N248-N271 PolarHBondContact O-OD1 2.84Å
249	R	98.2	Very high	98.6	Very high	142 Å²	142	40.7 Å²	40.7	54%	0.536	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	32.5	176.6	-54.1	177.6	-178.1	-175.3	-0.7	110.5	L226 Q227 N271	L226-R249 CarbonylContact O-C 3.14Å; L226-R249 VanDerWaalsContact O-C 3.28Å; L226-R249 VanDerWaalsContact O-CA 3.25Å; L226-R249 WeakPolarHBondContact O-CA 3.31Å; L226-R249 WeakPolarHBondContact O-CB 3.28Å; L226-R249 PolarHBondContact O-N 3.09Å; Q227-R249 WeakPolarHBondContact CA-O 3.39Å; Q227-R249 HydrophobicContact CB-CB 4.42Å; R249-N271 PolarHBondContact N-OD1 3.1Å
250	L	98.7	Very high	98.6	Very high	5 Å²	5	37.2 Å²	37.2	3%	0.026	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	138.6	179.9	-66.3	166.5	0	0	0	109.8	L226 G228 I230 L245 N248 N271 Q272 I273	L226-L250 HydrophobicContact CB-CD2 3.98Å; L226-L250 HydrophobicContact CB-CG 4.27Å; G228-L250 CarbonylContact O-C 3.21Å; G228-L250 VanDerWaalsContact O-CA 3.28Å; G228-L250 WeakPolarHBondContact O-CA 3.21Å; G228-L250 WeakPolarHBondContact O-CD2 3.08Å; I230-L250 HydrophobicContact CD1-CD1 4.35Å; I230-L250 HydrophobicContact CG1-CD1 3.9Å; I230-L250 HydrophobicContact CG1-CD2 4.21Å; L245-L250 HydrophobicContact CB-CD1 3.69Å; L245-L250 HydrophobicContact CD1-CD1 3.92Å; L245-L250 HydrophobicContact CG-CD1 4.4Å; N248-L250 HydrophobicContact CB-CD1 4.5Å; N248-L250 HydrophobicContact CB-CG 4.27Å; L250-N271 HydrophobicContact CB-CB 4.27Å; L250-N271 WeakPolarHBondContact CB-OD1 3.16Å; L250-N271 PolarHBondContact N-OD1 3.37Å; L250-Q272 CarbonylContact O-C 3.26Å; L250-Q272 VanDerWaalsContact O-C 3.28Å; L250-Q272 WeakPolarHBondContact O-CA 3.15Å; L250-Q272 PolarHBondContact O-N 2.84Å; L250-I273 PolarHBondContact O-N 2.79Å
251	T	98.4	Very high	98.6	Very high	49 Å²	49	43.5 Å²	43.5	30%	0.301	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	-24.1	-175.7	60.7	0	0	0	0	113.3	G228 Q272 I273 D274	G228-T251 VanDerWaalsContact C-OG1 3.25Å; G228-T251 WeakPolarHBondContact CA-OG1 3.33Å; G228-T251 PolarHBondContact O-N 3.5Å; G228-T251 PolarHBondContact O-OG1 2.61Å; T251-Q272 WeakPolarHBondContact CA-O 3.15Å; T251-Q272 HydrophobicContact CG2-CB 4.49Å; T251-I273 WeakPolarHBondContact O-CA 3.2Å; T251-D274 PolarHBondContact O-N 3.23Å
252	K	98.5	Very high	98.6	Very high	81 Å²	81	42.3 Å²	42.3	35%	0.352	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	153.9	-179.7	-67.4	-161	171.3	-146.2	0	112.4	P229 I230 D274 E275	P229-K252 CarbonylContact C-O 3.2Å; P229-K252 WeakPolarHBondContact CA-O 3.45Å; P229-K252 HydrophobicContact CB-CB 4.08Å; I230-K252 PolarHBondContact N-O 3.39Å; K252-D274 WeakPolarHBondContact CE-OD2 3.36Å; K252-D274 IonicContact NZ-OD2 3.23Å; K252-E275 IonicContact NZ-OE1 3.3Å; K252-E275 PolarHBondContact NZ-OE1 3.43Å
253	I	98.6	Very high	98.6	Very high	12 Å²	12	41 Å²	41	6%	0.062	19%	0.193	C	C	.	.			trans	-100.3	129.5	167.2	-53.6	172.9	0	0	0	107.7	I230 I257 F266 V268 I273 L276 P277	I230-I253 HydrophobicContact CD1-CB 4.28Å; I230-I253 HydrophobicContact CD1-CG1 4.01Å; I230-I253 HydrophobicContact CD1-CG2 4.17Å; I253-I257 HydrophobicContact CG2-CB 4.08Å; I253-I257 HydrophobicContact CG2-CG1 4.37Å; I253-I257 HydrophobicContact CG2-CG2 3.87Å; I253-F266 HydrophobicContact CD1-CE1 3.85Å; I253-F266 HydrophobicContact CD1-CZ 3.9Å; I253-F266 HydrophobicContact CG1-CZ 4.23Å; I253-F266 HydrophobicContact CG2-CE1 3.95Å; I253-F266 HydrophobicContact CG2-CZ 3.8Å; I253-V268 HydrophobicContact CD1-CG2 4.17Å; I253-I273 HydrophobicContact CD1-CD1 4.11Å; I253-I273 HydrophobicContact CD1-CG2 4.32Å; I253-I273 HydrophobicContact CG1-CD1 3.81Å; I253-I273 HydrophobicContact CG1-CG1 4.43Å; I253-I273 HydrophobicContact CG1-CG2 4.15Å; I253-L276 HydrophobicContact CD1-CD2 3.46Å; I253-L276 VanDerWaalsContact CD1-CD2 3.46Å; I253-P277 HydrophobicContact CB-CG 4.02Å; I253-P277 HydrophobicContact CG2-CG 3.74Å
254	T	98.2	Very high	98.6	Very high	12 Å²	12	42.6 Å²	42.6	7%	0.074	20%	0.204	C	C	.	.			trans	-66.7	144.8	176.5	173.6	0	0	0	0	112.2	I230 D232 I234 N256 I257	I230-T254 HydrophobicContact CB-CG2 4.34Å; I230-T254 HydrophobicContact CG2-CG2 4.15Å; I230-T254 WeakPolarHBondContact O-CB 3.42Å; I230-T254 WeakPolarHBondContact O-CG2 3.3Å; D232-T254 VanDerWaalsContact OD1-CB 3.31Å; D232-T254 WeakPolarHBondContact OD1-CB 3.5Å; D232-T254 PolarHBondContact OD1-OG1 2.96Å; I234-T254 HydrophobicContact CG2-CG2 3.47Å; I234-T254 VanDerWaalsContact CG2-CG2 3.47Å; T254-N256 HydrophobicContact CG2-CB 4.21Å; T254-N256 PolarHBondContact O-N 3.06Å; T254-N256 PolarHBondContact OG1-N 3.24Å; T254-N256 VanDerWaalsContact OG1-N 3.09Å; T254-I257 WeakPolarHBondContact O-CB 3.24Å; T254-I257 VanDerWaalsContact O-CG2 3.22Å; T254-I257 WeakPolarHBondContact O-CG2 2.99Å; T254-I257 PolarHBondContact O-N 2.97Å; T254-I257 VanDerWaalsContact O-N 3.12Å
255	E	98.5	Very high	98.6	Very high	98 Å²	98	45.9 Å²	45.9	46%	0.458	22%	0.215	S	C	.	.	G	3₁₀ helix	trans	-59.1	-23.8	170	-75.4	-68.9	162.4	0	0	112.3	I257 G258 P277 K278 S279	E255-I257 PolarHBondContact O-N 2.86Å; E255-I257 VanDerWaalsContact O-N 3.1Å; E255-G258 PolarHBondContact O-N 3.4Å; E255-P277 HydrophobicContact CG-CB 4.05Å; E255-P277 VanDerWaalsContact OE1-CA 3.26Å; E255-P277 WeakPolarHBondContact OE1-CA 3.33Å; E255-P277 WeakPolarHBondContact OE1-CB 3.44Å; E255-K278 PolarHBondContact OE1-N 3.34Å; E255-S279 WeakPolarHBondContact CA-OG 3.43Å; E255-S279 WeakPolarHBondContact O-CB 3.07Å; E255-S279 PolarHBondContact O-OG 2.9Å; E255-S279 WeakPolarHBondContact OE2-CB 3.35Å; E255-S279 PolarHBondContact OE2-N 3Å; E255-S279 PolarHBondContact OE2-OG 2.76Å
256	N	98.6	Very high	98.6	Very high	60 Å²	60	45.9 Å²	45.9	32%	0.321	22%	0.215	S	C	.	.	G	3₁₀ helix	trans	-68	-9.1	176.9	-75.7	-0.9	0	0	0	113.9	D232 G235 T254 G258 N259	D232-N256 WeakPolarHBondContact CB-ND2 3.43Å; D232-N256 WeakPolarHBondContact O-CB 3.22Å; D232-N256 PolarHBondContact O-ND2 3.44Å; G235-N256 VanDerWaalsContact CA-O 3.28Å; G235-N256 WeakPolarHBondContact CA-O 3.18Å; T254-N256 HydrophobicContact CG2-CB 4.21Å; T254-N256 PolarHBondContact O-N 3.06Å; T254-N256 PolarHBondContact OG1-N 3.24Å; T254-N256 VanDerWaalsContact OG1-N 3.09Å; N256-G258 PolarHBondContact O-N 3.47Å; N256-N259 WeakPolarHBondContact O-CB 3.26Å; N256-N259 PolarHBondContact O-N 2.84Å; N256-N259 VanDerWaalsContact O-N 3.11Å
257	I	98.7	Very high	98.6	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-57.8	-32.6	175.6	-164.8	60.8	0	0	0	111.9	I234 L243 I253 T254 E255 N259 C260 L263 F266 P277 L283	I234-I257 HydrophobicContact CG1-CD1 4.32Å; I234-I257 HydrophobicContact CG2-CD1 4.27Å; L243-I257 HydrophobicContact CD2-CD1 3.97Å; I253-I257 HydrophobicContact CG2-CB 4.08Å; I253-I257 HydrophobicContact CG2-CG1 4.37Å; I253-I257 HydrophobicContact CG2-CG2 3.87Å; T254-I257 WeakPolarHBondContact O-CB 3.24Å; T254-I257 VanDerWaalsContact O-CG2 3.22Å; T254-I257 WeakPolarHBondContact O-CG2 2.99Å; T254-I257 PolarHBondContact O-N 2.97Å; T254-I257 VanDerWaalsContact O-N 3.12Å; E255-I257 PolarHBondContact O-N 2.86Å; E255-I257 VanDerWaalsContact O-N 3.1Å; I257-N259 PolarHBondContact O-N 3.17Å; I257-N259 VanDerWaalsContact O-N 3.11Å; I257-C260 WeakPolarHBondContact O-CB 3.16Å; I257-C260 PolarHBondContact O-N 3.06Å; I257-L263 HydrophobicContact CD1-CD2 3.91Å; I257-L263 HydrophobicContact CG1-CD2 4.25Å; I257-F266 HydrophobicContact CD1-CE1 4.42Å; I257-F266 HydrophobicContact CD1-CE2 4.45Å; I257-F266 HydrophobicContact CD1-CZ 4.23Å; I257-F266 HydrophobicContact CG1-CD1 4.39Å; I257-F266 HydrophobicContact CG1-CE1 3.9Å; I257-F266 HydrophobicContact CG1-CZ 4.13Å; I257-P277 HydrophobicContact CG2-CG 3.89Å; I257-L283 HydrophobicContact CG1-CD1 4.47Å; I257-L283 WeakPolarHBondContact O-CD2 3.19Å
258	G	98.6	Very high	98.6	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-62	-17.5	178.2	0	0	0	0	0	114.8	E255 N256 C260 S279 Q282	E255-G258 PolarHBondContact O-N 3.4Å; N256-G258 PolarHBondContact O-N 3.47Å; G258-C260 VanDerWaalsContact C-N 3.26Å; G258-C260 PolarHBondContact O-N 2.98Å; G258-S279 WeakPolarHBondContact CA-O 3.14Å; G258-S279 PolarHBondContact N-OG 3.21Å; G258-Q282 PolarHBondContact O-OE1 2.91Å
259	N	98.6	Very high	98.6	Very high	75 Å²	75	42.8 Å²	42.8	40%	0.401	20%	0.202	S	C	.	.	G	3₁₀ helix	trans	-71.4	-21	173.7	-65.9	-24.2	0	0	0	112.8	G235 N256 I257 K261	G235-N259 WeakPolarHBondContact O-CB 3.31Å; N256-N259 WeakPolarHBondContact O-CB 3.26Å; N256-N259 PolarHBondContact O-N 2.84Å; N256-N259 VanDerWaalsContact O-N 3.11Å; I257-N259 PolarHBondContact O-N 3.17Å; I257-N259 VanDerWaalsContact O-N 3.11Å; N259-K261 PolarHBondContact O-N 3.13Å
260	C	98.6	Very high	98.6	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.195	C	C	.	.			trans	-79.4	61.9	177.7	-61.4	0	0	0	0	111.2	I234 I257 G258 L262 L263 L283	I234-C260 PolarHBondContact O-SG 3.21Å; I257-C260 WeakPolarHBondContact O-CB 3.16Å; I257-C260 PolarHBondContact O-N 3.06Å; G258-C260 VanDerWaalsContact C-N 3.26Å; G258-C260 PolarHBondContact O-N 2.98Å; C260-L262 PolarHBondContact O-N 2.94Å; C260-L263 HydrophobicContact CB-CB 4.09Å; C260-L263 HydrophobicContact CB-CD2 4.38Å; C260-L263 WeakPolarHBondContact O-CB 3.34Å; C260-L263 PolarHBondContact O-N 3.19Å; C260-L283 WeakPolarHBondContact O-CD2 3.35Å
261	K	98.3	Very high	98.6	Very high	132 Å²	132	40.9 Å²	40.9	57%	0.574	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-20.1	-170.3	-63.3	-174.3	178.9	-175.7	0	115.5	N259 L263	N259-K261 PolarHBondContact O-N 3.13Å; K261-L263 VanDerWaalsContact C-N 3.33Å
262	L	98.7	Very high	98.6	Very high	68 Å²	68	43.5 Å²	43.5	36%	0.356	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	0.7	176.3	-62	-176.2	0	0	0	113.4	L240 K241 C260 S264	L240-L262 CarbonylContact O-C 3.28Å; K241-L262 WeakPolarHBondContact CA-O 3.26Å; K241-L262 HydrophobicContact CG-CB 4.31Å; C260-L262 PolarHBondContact O-N 2.94Å; L262-S264 PolarHBondContact O-N 3.49Å
263	L	98.7	Very high	98.6	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	19%	0.189	C	C	.	.			trans	-68.2	106.6	-174.4	-167.8	63.1	0	0	0	109.9	L240 L243 I257 C260 K261 R265 F266 L283 L286	L240-L263 HydrophobicContact CD2-CD1 4.25Å; L240-L263 HydrophobicContact CG-CD1 4.1Å; L240-L263 VanDerWaalsContact O-CA 3.26Å; L240-L263 WeakPolarHBondContact O-CA 3.41Å; L240-L263 PolarHBondContact O-N 2.74Å; L240-L263 VanDerWaalsContact O-N 3.09Å; L243-L263 HydrophobicContact CB-CD1 3.89Å; I257-L263 HydrophobicContact CD1-CD2 3.91Å; I257-L263 HydrophobicContact CG1-CD2 4.25Å; C260-L263 HydrophobicContact CB-CB 4.09Å; C260-L263 HydrophobicContact CB-CD2 4.38Å; C260-L263 WeakPolarHBondContact O-CB 3.34Å; C260-L263 PolarHBondContact O-N 3.19Å; K261-L263 VanDerWaalsContact C-N 3.33Å; L263-R265 WeakPolarHBondContact CD1-O 3.39Å; L263-F266 HydrophobicContact CD2-CB 3.78Å; L263-F266 HydrophobicContact CD2-CD1 4.32Å; L263-F266 HydrophobicContact CD2-CD2 4.32Å; L263-F266 HydrophobicContact CD2-CG 3.9Å; L263-F266 HydrophobicContact CG-CB 4.16Å; L263-L283 HydrophobicContact CB-CD2 4.23Å; L263-L283 HydrophobicContact CD2-CD1 4.04Å; L263-L286 WeakPolarHBondContact O-CA 3.36Å; L263-L286 PolarHBondContact O-N 2.76Å
264	S	98.5	Very high	98.6	Very high	33 Å²	33	42.2 Å²	42.2	23%	0.231	20%	0.202	C	C	.	.			trans	-97.4	-23.3	-179.1	66.4	0	0	0	0	113.1	K241 L262 E285 T287 V288	K241-S264 PolarHBondContact O-N 3.07Å; K241-S264 PolarHBondContact O-OG 2.94Å; L262-S264 PolarHBondContact O-N 3.49Å; S264-E285 VanDerWaalsContact CA-O 3.3Å; S264-E285 WeakPolarHBondContact CA-O 3.29Å; S264-T287 PolarHBondContact O-N 3.09Å; S264-T287 PolarHBondContact O-OG1 3.33Å; S264-V288 PolarHBondContact O-N 3.12Å; S264-V288 VanDerWaalsContact O-N 3.13Å
265	R	98.7	Very high	98.6	Very high	89 Å²	89	46.1 Å²	46.1	34%	0.336	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	113.6	-179.2	-58.1	-173.7	55	60.9	6.7	109.6	K241 T242 L243 L263 V288	K241-R265 PolarHBondContact O-N 3.16Å; T242-R265 WeakPolarHBondContact CA-O 3.16Å; T242-R265 HydrophobicContact CG2-CB 4.16Å; L243-R265 PolarHBondContact N-O 3.04Å; L263-R265 WeakPolarHBondContact CD1-O 3.39Å; R265-V288 WeakPolarHBondContact CA-O 3.49Å; R265-V288 HydrophobicContact CG-CB 4.5Å
266	F	98.8	Very high	98.6	Very high	0 Å²	0	42 Å²	42	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	112	177	-176.5	-154.5	0	0	0	109.7	I230 L243 I253 I257 L263 V268 I280 L283 L286 V288 L289 G290	I230-F266 HydrophobicContact CD1-CE2 4.2Å; I230-F266 HydrophobicContact CD1-CZ 3.96Å; L243-F266 HydrophobicContact CB-CD2 4.09Å; L243-F266 HydrophobicContact CD2-CD2 3.94Å; L243-F266 HydrophobicContact CD2-CE2 3.7Å; L243-F266 HydrophobicContact CG-CD2 4.08Å; L243-F266 HydrophobicContact CG-CE2 4.16Å; L243-F266 WeakPolarHBondContact O-CA 3.28Å; I253-F266 HydrophobicContact CD1-CE1 3.85Å; I253-F266 HydrophobicContact CD1-CZ 3.9Å; I253-F266 HydrophobicContact CG1-CZ 4.23Å; I253-F266 HydrophobicContact CG2-CE1 3.95Å; I253-F266 HydrophobicContact CG2-CZ 3.8Å; I257-F266 HydrophobicContact CD1-CE1 4.42Å; I257-F266 HydrophobicContact CD1-CE2 4.45Å; I257-F266 HydrophobicContact CD1-CZ 4.23Å; I257-F266 HydrophobicContact CG1-CD1 4.39Å; I257-F266 HydrophobicContact CG1-CE1 3.9Å; I257-F266 HydrophobicContact CG1-CZ 4.13Å; L263-F266 HydrophobicContact CD2-CB 3.78Å; L263-F266 HydrophobicContact CD2-CD1 4.32Å; L263-F266 HydrophobicContact CD2-CD2 4.32Å; L263-F266 HydrophobicContact CD2-CG 3.9Å; L263-F266 HydrophobicContact CG-CB 4.16Å; F266-V268 HydrophobicContact CD2-CG1 4.11Å; F266-V268 HydrophobicContact CE2-CG1 3.36Å; F266-V268 HydrophobicContact CZ-CG1 3.68Å; F266-I280 HydrophobicContact CD1-CD1 4.02Å; F266-I280 HydrophobicContact CE1-CD1 4.13Å; F266-L283 HydrophobicContact CD1-CD1 4.45Å; F266-L286 HydrophobicContact CB-CD1 3.87Å; F266-V288 PolarHBondContact N-O 3.02Å; F266-L289 HydrophobicContact CB-CD1 4.32Å; F266-L289 HydrophobicContact CD1-CD1 3.89Å; F266-L289 HydrophobicContact CG-CD1 4.4Å; F266-L289 CarbonylContact O-C 3.53Å; F266-L289 WeakPolarHBondContact O-CA 3.42Å; F266-G290 PolarHBondContact O-N 3.03Å
267	L	98.8	Very high	98.6	Very high	23 Å²	23	39.4 Å²	39.4	12%	0.12	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	120.9	-174.5	-52	173.1	0	0	0	109.8	L243 D244 L245 S246 V288	L243-L267 PolarHBondContact O-N 2.68Å; D244-L267 HydrophobicContact CB-CB 4.19Å; D244-L267 HydrophobicContact CB-CD1 4.1Å; L245-L267 PolarHBondContact N-O 3.07Å; S246-L267 PolarHBondContact N-O 3.27Å; S246-L267 WeakPolarHBondContact OG-CB 3.43Å; L267-V288 HydrophobicContact CD2-CG1 3.88Å
268	V	98.7	Very high	98.6	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	22%	0.219	C	C	.	.			trans	-136.8	25.1	177.4	-65.9	0	0	0	0	110.7	I230 L245 S246 I253 F266 N271 I273 G290 I291 N294	I230-V268 HydrophobicContact CD1-CG1 4.12Å; L245-V268 HydrophobicContact CB-CG1 4.32Å; S246-V268 PolarHBondContact OG-N 3.03Å; I253-V268 HydrophobicContact CD1-CG2 4.17Å; F266-V268 HydrophobicContact CD2-CG1 4.11Å; F266-V268 HydrophobicContact CE2-CG1 3.36Å; F266-V268 HydrophobicContact CZ-CG1 3.68Å; V268-N271 PolarHBondContact O-ND2 3.44Å; V268-I273 HydrophobicContact CB-CD1 3.56Å; V268-I273 HydrophobicContact CG1-CD1 4.18Å; V268-I273 HydrophobicContact CG2-CD1 3.56Å; V268-G290 CarbonylContact C-O 3.51Å; V268-G290 WeakPolarHBondContact CA-O 3.37Å; V268-G290 VanDerWaalsContact CG2-O 3.25Å; V268-G290 WeakPolarHBondContact CG2-O 3.41Å; V268-G290 PolarHBondContact N-O 3.34Å; V268-I291 HydrophobicContact CG2-CG2 3.75Å; V268-N294 PolarHBondContact O-ND2 2.85Å
269	D	98.8	Very high	98.6	Very high	19 Å²	19	47 Å²	47	10%	0.102	22%	0.221	C	C	.	.			trans	-55.3	150.2	177.5	-43.2	-77.5	0	0	0	111.3	S246 K247 N271 G290 I291 K292	S246-D269 CarbonylContact C-O 3.42Å; S246-D269 WeakPolarHBondContact CA-O 3.42Å; S246-D269 VanDerWaalsContact CB-O 3.26Å; S246-D269 WeakPolarHBondContact CB-O 3.36Å; S246-D269 PolarHBondContact OG-N 2.75Å; S246-D269 PolarHBondContact OG-OD2 3.48Å; K247-D269 PolarHBondContact N-O 3.44Å; D269-N271 PolarHBondContact O-ND2 2.87Å; D269-G290 PolarHBondContact N-O 3.23Å; D269-G290 WeakPolarHBondContact OD1-CA 3.21Å; D269-I291 PolarHBondContact OD1-N 3.35Å; D269-K292 CarbonylContact C-O 3.6Å; D269-K292 VanDerWaalsContact CA-O 3.24Å; D269-K292 WeakPolarHBondContact CA-O 3.29Å; D269-K292 HydrophobicContact CB-CG 3.85Å; D269-K292 WeakPolarHBondContact OD1-CE 3.38Å; D269-K292 WeakPolarHBondContact OD1-CG 3.25Å
270	Y	98.7	Very high	98.6	Very high	96 Å²	96	43.5 Å²	43.5	38%	0.376	20%	0.202	S	C	.	.	S	Bend	trans	55.9	55.7	177	-57.4	-84	0	0	0	112.2	K247 N248 K292 Y293	K247-Y270 VanDerWaalsContact CA-O 3.25Å; K247-Y270 WeakPolarHBondContact CA-O 3.13Å; K247-Y270 HydrophobicContact CG-CD2 4.04Å; K247-Y270 HydrophobicContact CG-CG 4.15Å; K247-Y270 PolarHBondContact N-O 3.28Å; N248-Y270 PolarHBondContact N-O 2.77Å; Y270-K292 PolarHBondContact N-O 3.17Å; Y270-Y293 WeakPolarHBondContact CA-O 3.46Å; Y270-Y293 VanDerWaalsContact CD1-CB 3.47Å; Y270-Y293 HydrophobicContact CD1-CD2 4.06Å; Y270-Y293 AromaticContact CD1-CG 3.8Å; Y270-Y293 HydrophobicContact CD1-CG 3.8Å; Y270-Y293 HydrophobicContact CE1-CD1 4.04Å; Y270-Y293 AromaticContact CE1-CD2 3.33Å; Y270-Y293 HydrophobicContact CE1-CD2 3.33Å; Y270-Y293 AromaticContact CE1-CE2 3.95Å; Y270-Y293 HydrophobicContact CE1-CE2 3.95Å; Y270-Y293 AromaticContact CE1-CG 3.38Å; Y270-Y293 HydrophobicContact CE1-CG 3.38Å; Y270-Y293 HydrophobicContact CE2-CD2 4.01Å; Y270-Y293 AromaticContact CZ-CD2 3.3Å; Y270-Y293 AromaticContact CZ-CE2 3.72Å; Y270-Y293 AromaticContact CZ-CG 3.89Å; Y270-Y293 PolarHBondContact N-O 3.47Å; Y270-Y293 WeakPolarHBondContact OH-CD2 3.48Å; Y270-Y293 VanDerWaalsContact OH-CE2 3.23Å; Y270-Y293 WeakPolarHBondContact OH-CE2 3.19Å
271	N	98.8	Very high	98.6	Very high	12 Å²	12	43.9 Å²	43.9	6%	0.064	21%	0.206	C	C	.	.	S	Bend	trans	-126.3	-160.2	171.1	-82.8	-75.8	0	0	0	108.8	L245 N248 R249 L250 V268 D269 I273 Y293 N294	L245-N271 PolarHBondContact O-ND2 2.88Å; L245-N271 VanDerWaalsContact O-ND2 3.13Å; N248-N271 VanDerWaalsContact CA-OD1 3.27Å; N248-N271 WeakPolarHBondContact CA-OD1 3.36Å; N248-N271 WeakPolarHBondContact CB-OD1 3.4Å; N248-N271 PolarHBondContact N-OD1 3.32Å; N248-N271 PolarHBondContact O-OD1 2.84Å; R249-N271 PolarHBondContact N-OD1 3.1Å; L250-N271 HydrophobicContact CB-CB 4.27Å; L250-N271 WeakPolarHBondContact CB-OD1 3.16Å; L250-N271 PolarHBondContact N-OD1 3.37Å; V268-N271 PolarHBondContact O-ND2 3.44Å; D269-N271 PolarHBondContact O-ND2 2.87Å; N271-I273 HydrophobicContact CB-CD1 4.12Å; N271-I273 HydrophobicContact CB-CG1 4.13Å; N271-Y293 PolarHBondContact N-O 3.15Å; N271-N294 VanDerWaalsContact CA-OD1 3.3Å; N271-N294 WeakPolarHBondContact CA-OD1 3.23Å; N271-N294 WeakPolarHBondContact CB-OD1 3.32Å; N271-N294 PolarHBondContact N-OD1 2.96Å; N271-N294 PolarHBondContact O-OD1 3.29Å
272	Q	98.6	Very high	98.6	Very high	103 Å²	103	42.4 Å²	42.4	48%	0.481	20%	0.201	S	C	.	.			trans	-123.1	33.6	179	-60.4	174.3	17.1	0	0	110.1	L250 T251 D274 N294	L250-Q272 CarbonylContact O-C 3.26Å; L250-Q272 VanDerWaalsContact O-C 3.28Å; L250-Q272 WeakPolarHBondContact O-CA 3.15Å; L250-Q272 PolarHBondContact O-N 2.84Å; T251-Q272 WeakPolarHBondContact CA-O 3.15Å; T251-Q272 HydrophobicContact CG2-CB 4.49Å; Q272-D274 PolarHBondContact O-N 3.22Å; Q272-N294 PolarHBondContact N-OD1 3.16Å
273	I	98.8	Very high	98.6	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.005	18%	0.184	C	C	.	.			trans	-72.8	124.4	-175.5	-64.2	164	0	0	0	109.2	L250 T251 I253 V268 N271 E275 N294 C295 L296	L250-I273 PolarHBondContact O-N 2.79Å; T251-I273 WeakPolarHBondContact O-CA 3.2Å; I253-I273 HydrophobicContact CD1-CD1 4.11Å; I253-I273 HydrophobicContact CD1-CG2 4.32Å; I253-I273 HydrophobicContact CG1-CD1 3.81Å; I253-I273 HydrophobicContact CG1-CG1 4.43Å; I253-I273 HydrophobicContact CG1-CG2 4.15Å; V268-I273 HydrophobicContact CB-CD1 3.56Å; V268-I273 HydrophobicContact CG1-CD1 4.18Å; V268-I273 HydrophobicContact CG2-CD1 3.56Å; N271-I273 HydrophobicContact CB-CD1 4.12Å; N271-I273 HydrophobicContact CB-CG1 4.13Å; I273-E275 WeakPolarHBondContact CG2-O 3.49Å; I273-N294 HydrophobicContact CB-CB 4.33Å; I273-N294 WeakPolarHBondContact CB-OD1 3.26Å; I273-N294 PolarHBondContact N-OD1 3.41Å; I273-C295 CarbonylContact O-C 3.22Å; I273-C295 VanDerWaalsContact O-C 3.28Å; I273-C295 WeakPolarHBondContact O-CA 3.08Å; I273-C295 PolarHBondContact O-N 2.84Å; I273-L296 HydrophobicContact CG2-CD2 3.97Å; I273-L296 PolarHBondContact O-N 3.21Å
274	D	97.9	Very high	98.5	Very high	66 Å²	66	42.2 Å²	42.2	35%	0.353	21%	0.206	S	C	.	.			trans	-91.7	-29.6	-178.1	58	-0.4	0	0	0	113.4	T251 K252 Q272 L296	T251-D274 PolarHBondContact O-N 3.23Å; K252-D274 WeakPolarHBondContact CE-OD2 3.36Å; K252-D274 IonicContact NZ-OD2 3.23Å; Q272-D274 PolarHBondContact O-N 3.22Å; D274-L296 WeakPolarHBondContact O-CA 3.4Å
275	E	98.3	Very high	98.5	Very high	94 Å²	94	44.1 Å²	44.1	44%	0.439	21%	0.211	S	C	.	.			trans	-143.5	153.4	179.3	72.1	-166.4	163.5	0	0	112.9	K252 I273	K252-E275 IonicContact NZ-OE1 3.3Å; K252-E275 PolarHBondContact NZ-OE1 3.43Å; I273-E275 WeakPolarHBondContact CG2-O 3.49Å
276	L	98.5	Very high	98.5	Very high	11 Å²	11	39.9 Å²	39.9	6%	0.058	20%	0.195	C	C	.	.			trans	-96.2	136.8	164.7	-58.2	-178.6	0	0	0	110.1	I253 L289 I291 L296 L299 P300 I303	I253-L276 HydrophobicContact CD1-CD2 3.46Å; I253-L276 VanDerWaalsContact CD1-CD2 3.46Å; L276-L289 HydrophobicContact CD1-CD2 4.41Å; L276-I291 HydrophobicContact CD1-CD1 3.9Å; L276-I291 HydrophobicContact CD2-CG2 3.96Å; L276-L296 HydrophobicContact CD2-CD1 4.36Å; L276-L296 HydrophobicContact CD2-CD2 4.16Å; L276-L296 HydrophobicContact CG-CD1 4.25Å; L276-L296 HydrophobicContact CG-CD2 4.03Å; L276-L299 HydrophobicContact CD1-CD2 3.74Å; L276-P300 HydrophobicContact CB-CG 3.91Å; L276-I303 HydrophobicContact CD1-CD1 4.34Å
277	P	98.5	Very high	98.4	Very high	6 Å²	6	42.1 Å²	42.1	4%	0.039	21%	0.209	C	C	.	.			trans	-68.3	153.5	178.8	27	-35.5	0	0	0	111.7	I253 E255 I257 S279 I280	I253-P277 HydrophobicContact CB-CG 4.02Å; I253-P277 HydrophobicContact CG2-CG 3.74Å; E255-P277 HydrophobicContact CG-CB 4.05Å; E255-P277 VanDerWaalsContact OE1-CA 3.26Å; E255-P277 WeakPolarHBondContact OE1-CA 3.33Å; E255-P277 WeakPolarHBondContact OE1-CB 3.44Å; I257-P277 HydrophobicContact CG2-CG 3.89Å; P277-S279 PolarHBondContact O-N 3.36Å; P277-I280 WeakPolarHBondContact O-CB 3.06Å; P277-I280 VanDerWaalsContact O-CG2 3.26Å; P277-I280 WeakPolarHBondContact O-CG2 3.1Å; P277-I280 PolarHBondContact O-N 2.77Å; P277-I280 VanDerWaalsContact O-N 3.12Å
278	K	98.5	Very high	98.4	Very high	154 Å²	154	42.9 Å²	42.9	67%	0.67	21%	0.214	S	C	*	.	G	3₁₀ helix	trans	-63.8	-30.5	177.7	-69.5	179.5	-177.6	175.7	0	111.6	E255 I280 G281 T302	E255-K278 PolarHBondContact OE1-N 3.34Å; K278-I280 PolarHBondContact O-N 2.83Å; K278-I280 VanDerWaalsContact O-N 3.09Å; K278-G281 PolarHBondContact O-N 3.31Å; K278-T302 HydrophobicContact CB-CG2 4.47Å; K278-T302 WeakPolarHBondContact O-CB 3.17Å; K278-T302 PolarHBondContact O-OG1 3.5Å
279	S	98.6	Very high	98.4	Very high	6 Å²	6	43.5 Å²	43.5	4%	0.042	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-63.6	-9.3	176.8	71.9	0	0	0	0	114.7	E255 G258 P277 G281 Q282	E255-S279 WeakPolarHBondContact CA-OG 3.43Å; E255-S279 WeakPolarHBondContact O-CB 3.07Å; E255-S279 PolarHBondContact O-OG 2.9Å; E255-S279 WeakPolarHBondContact OE2-CB 3.35Å; E255-S279 PolarHBondContact OE2-N 3Å; E255-S279 PolarHBondContact OE2-OG 2.76Å; G258-S279 WeakPolarHBondContact CA-O 3.14Å; G258-S279 PolarHBondContact N-OG 3.21Å; P277-S279 PolarHBondContact O-N 3.36Å; S279-G281 PolarHBondContact O-N 3.02Å; S279-Q282 VanDerWaalsContact O-CB 3.27Å; S279-Q282 WeakPolarHBondContact O-CB 3.27Å; S279-Q282 PolarHBondContact O-N 3.42Å
280	I	98.6	Very high	98.4	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-54.1	-35.4	172	-160.5	75.2	0	0	0	111.5	F266 P277 K278 Q282 L283 L289 P300 I303 C306	F266-I280 HydrophobicContact CD1-CD1 4.02Å; F266-I280 HydrophobicContact CE1-CD1 4.13Å; P277-I280 WeakPolarHBondContact O-CB 3.06Å; P277-I280 VanDerWaalsContact O-CG2 3.26Å; P277-I280 WeakPolarHBondContact O-CG2 3.1Å; P277-I280 PolarHBondContact O-N 2.77Å; P277-I280 VanDerWaalsContact O-N 3.12Å; K278-I280 PolarHBondContact O-N 2.83Å; K278-I280 VanDerWaalsContact O-N 3.09Å; I280-Q282 PolarHBondContact O-N 3.13Å; I280-Q282 VanDerWaalsContact O-N 3.09Å; I280-L283 HydrophobicContact CD1-CD1 3.68Å; I280-L283 HydrophobicContact CG1-CD1 4.42Å; I280-L283 WeakPolarHBondContact O-CB 3.48Å; I280-L283 WeakPolarHBondContact O-CG 3.26Å; I280-L283 PolarHBondContact O-N 2.87Å; I280-L283 VanDerWaalsContact O-N 3.08Å; I280-L289 HydrophobicContact CD1-CD1 4.38Å; I280-P300 HydrophobicContact CG2-CG 3.75Å; I280-I303 HydrophobicContact CG2-CB 4.25Å; I280-C306 PolarHBondContact O-SG 2.94Å; I280-C306 VanDerWaalsContact O-SG 3.35Å
281	G	98.2	Very high	98.4	Very high	8 Å²	8	38.3 Å²	38.3	8%	0.082	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-69	-2.3	177	0	0	0	0	0	115.2	K278 S279 T302 N305	K278-G281 PolarHBondContact O-N 3.31Å; S279-G281 PolarHBondContact O-N 3.02Å; G281-T302 WeakPolarHBondContact CA-O 3.15Å; G281-N305 WeakPolarHBondContact O-CB 3.4Å
282	Q	98.6	Very high	98.3	Very high	101 Å²	101	40.5 Å²	40.5	47%	0.472	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-88.5	-10.8	172.4	-59.4	175.3	-6.1	0	0	112	G258 S279 I280 S284	G258-Q282 PolarHBondContact O-OE1 2.91Å; S279-Q282 VanDerWaalsContact O-CB 3.27Å; S279-Q282 WeakPolarHBondContact O-CB 3.27Å; S279-Q282 PolarHBondContact O-N 3.42Å; I280-Q282 PolarHBondContact O-N 3.13Å; I280-Q282 VanDerWaalsContact O-N 3.09Å; Q282-S284 PolarHBondContact O-N 3.39Å
283	L	98.6	Very high	98.4	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.198	C	C	.	.			trans	-82.5	62.9	-179.3	-54.3	-176.3	0	0	0	111.6	I257 C260 L263 F266 I280 E285 L286	I257-L283 HydrophobicContact CG1-CD1 4.47Å; I257-L283 WeakPolarHBondContact O-CD2 3.19Å; C260-L283 WeakPolarHBondContact O-CD2 3.35Å; L263-L283 HydrophobicContact CB-CD2 4.23Å; L263-L283 HydrophobicContact CD2-CD1 4.04Å; F266-L283 HydrophobicContact CD1-CD1 4.45Å; I280-L283 HydrophobicContact CD1-CD1 3.68Å; I280-L283 HydrophobicContact CG1-CD1 4.42Å; I280-L283 WeakPolarHBondContact O-CB 3.48Å; I280-L283 WeakPolarHBondContact O-CG 3.26Å; I280-L283 PolarHBondContact O-N 2.87Å; I280-L283 VanDerWaalsContact O-N 3.08Å; L283-E285 PolarHBondContact O-N 3.34Å; L283-L286 HydrophobicContact CB-CB 3.97Å; L283-L286 HydrophobicContact CB-CD2 4.36Å; L283-L286 HydrophobicContact CD1-CD1 4.49Å; L283-L286 HydrophobicContact CD1-CD2 4.24Å; L283-L286 WeakPolarHBondContact O-CB 3.23Å; L283-L286 PolarHBondContact O-N 3.42Å
284	S	96.8	Very high	98.4	Very high	64 Å²	64	39.7 Å²	39.7	45%	0.448	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-16.5	-176.6	59.6	0	0	0	0	115.5	Q282 K308	Q282-S284 PolarHBondContact O-N 3.39Å; S284-K308 WeakPolarHBondContact O-CD 3.25Å
285	E	98.2	Very high	98.4	Very high	74 Å²	74	39.2 Å²	39.2	35%	0.346	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-2.1	175	-66.2	-55.7	133.8	0	0	113.7	S264 L283 T287 K308	S264-E285 VanDerWaalsContact CA-O 3.3Å; S264-E285 WeakPolarHBondContact CA-O 3.29Å; L283-E285 PolarHBondContact O-N 3.34Å; E285-T287 PolarHBondContact O-N 3.33Å; E285-K308 IonicContact OE1-NZ 3.19Å; E285-K308 PolarHBondContact OE1-NZ 3.35Å; E285-K308 IonicContact OE2-NZ 2.68Å; E285-K308 PolarHBondContact OE2-NZ 2.73Å
286	L	98.5	Very high	98.4	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.18	C	C	.	.			trans	-67	115.3	-172.5	-166.1	67.1	0	0	0	111.4	L263 F266 L283 L289 K308 L309	L263-L286 WeakPolarHBondContact O-CA 3.36Å; L263-L286 PolarHBondContact O-N 2.76Å; F266-L286 HydrophobicContact CB-CD1 3.87Å; L283-L286 HydrophobicContact CB-CB 3.97Å; L283-L286 HydrophobicContact CB-CD2 4.36Å; L283-L286 HydrophobicContact CD1-CD1 4.49Å; L283-L286 HydrophobicContact CD1-CD2 4.24Å; L283-L286 WeakPolarHBondContact O-CB 3.23Å; L283-L286 PolarHBondContact O-N 3.42Å; L286-L289 HydrophobicContact CD2-CB 4.04Å; L286-L289 HydrophobicContact CD2-CD1 4.32Å; L286-L289 HydrophobicContact CD2-CD2 4.37Å; L286-L289 HydrophobicContact CD2-CG 4.47Å; L286-K308 CarbonylContact O-C 3.17Å; L286-K308 WeakPolarHBondContact O-CB 3.18Å; L286-L309 HydrophobicContact CD2-CD2 4.17Å; L286-L309 HydrophobicContact CG-CD2 3.97Å; L286-L309 PolarHBondContact O-N 2.77Å
287	T	97.8	Very high	98.4	Very high	47 Å²	47	37.5 Å²	37.5	29%	0.288	20%	0.201	S	C	.	.			trans	-105.5	-29	176.8	57.9	0	0	0	0	112.1	S264 E285 K308 T310	S264-T287 PolarHBondContact O-N 3.09Å; S264-T287 PolarHBondContact O-OG1 3.33Å; E285-T287 PolarHBondContact O-N 3.33Å; T287-K308 HydrophobicContact CG2-CB 4.14Å; T287-T310 PolarHBondContact O-N 2.96Å; T287-T310 PolarHBondContact O-OG1 3.03Å
288	V	98.1	Very high	98.4	Very high	39 Å²	39	43.3 Å²	43.3	24%	0.236	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	119.6	-179.4	180	0	0	0	0	110.4	S264 R265 F266 L267	S264-V288 PolarHBondContact O-N 3.12Å; S264-V288 VanDerWaalsContact O-N 3.13Å; R265-V288 WeakPolarHBondContact CA-O 3.49Å; R265-V288 HydrophobicContact CG-CB 4.5Å; F266-V288 PolarHBondContact N-O 3.02Å; L267-V288 HydrophobicContact CD2-CG1 3.88Å
289	L	98.6	Very high	98.4	Very high	12 Å²	12	36.3 Å²	36.3	6%	0.063	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	114.2	173.2	-179.9	58.7	0	0	0	108.8	F266 L276 I280 L286 I291 I303 L309	F266-L289 HydrophobicContact CB-CD1 4.32Å; F266-L289 HydrophobicContact CD1-CD1 3.89Å; F266-L289 HydrophobicContact CG-CD1 4.4Å; F266-L289 CarbonylContact O-C 3.53Å; F266-L289 WeakPolarHBondContact O-CA 3.42Å; L276-L289 HydrophobicContact CD1-CD2 4.41Å; I280-L289 HydrophobicContact CD1-CD1 4.38Å; L286-L289 HydrophobicContact CD2-CB 4.04Å; L286-L289 HydrophobicContact CD2-CD1 4.32Å; L286-L289 HydrophobicContact CD2-CD2 4.37Å; L286-L289 HydrophobicContact CD2-CG 4.47Å; L289-I291 HydrophobicContact CD1-CG2 3.7Å; L289-I291 HydrophobicContact CD2-CD1 3.91Å; L289-I291 HydrophobicContact CD2-CG2 4.34Å; L289-I291 HydrophobicContact CG-CD1 4.15Å; L289-I291 HydrophobicContact CG-CG1 4.23Å; L289-I291 HydrophobicContact CG-CG2 3.78Å; L289-I303 HydrophobicContact CD2-CD1 3.92Å; L289-L309 HydrophobicContact CB-CD2 3.92Å
290	G	98.4	Very high	98.4	Very high	6 Å²	6	36.9 Å²	36.9	6%	0.062	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	103.5	177.1	0	0	0	0	0	110.4	F266 V268 D269	F266-G290 PolarHBondContact O-N 3.03Å; V268-G290 CarbonylContact C-O 3.51Å; V268-G290 WeakPolarHBondContact CA-O 3.37Å; V268-G290 VanDerWaalsContact CG2-O 3.25Å; V268-G290 WeakPolarHBondContact CG2-O 3.41Å; V268-G290 PolarHBondContact N-O 3.34Å; D269-G290 PolarHBondContact N-O 3.23Å; D269-G290 WeakPolarHBondContact OD1-CA 3.21Å
291	I	98.7	Very high	98.3	Very high	1 Å²	1	42 Å²	42	1%	0.005	23%	0.232	C	C	.	.			trans	-131.6	10.1	-175.1	52.2	175.4	0	0	0	112.9	V268 D269 L276 L289 N294 L296 L299 I314 N317	V268-I291 HydrophobicContact CG2-CG2 3.75Å; D269-I291 PolarHBondContact OD1-N 3.35Å; L276-I291 HydrophobicContact CD1-CD1 3.9Å; L276-I291 HydrophobicContact CD2-CG2 3.96Å; L289-I291 HydrophobicContact CD1-CG2 3.7Å; L289-I291 HydrophobicContact CD2-CD1 3.91Å; L289-I291 HydrophobicContact CD2-CG2 4.34Å; L289-I291 HydrophobicContact CG-CD1 4.15Å; L289-I291 HydrophobicContact CG-CG1 4.23Å; L289-I291 HydrophobicContact CG-CG2 3.78Å; I291-N294 PolarHBondContact O-ND2 3.21Å; I291-L296 HydrophobicContact CB-CD1 4.09Å; I291-L296 HydrophobicContact CD1-CD1 4.08Å; I291-L296 HydrophobicContact CG1-CD1 4.45Å; I291-L299 HydrophobicContact CD1-CD2 4.11Å; I291-I314 HydrophobicContact CD1-CG2 3.69Å; I291-I314 HydrophobicContact CG1-CG2 4.17Å; I291-N317 PolarHBondContact O-ND2 2.77Å; I291-N317 VanDerWaalsContact O-ND2 3.07Å
292	K	98.6	Very high	98.3	Very high	57 Å²	57	43.7 Å²	43.7	25%	0.248	24%	0.241	C	C	.	.			trans	-67.3	154.1	178.2	53	174.3	176.7	-166.4	0	112.6	D269 Y270 N294 E315	D269-K292 CarbonylContact C-O 3.6Å; D269-K292 VanDerWaalsContact CA-O 3.24Å; D269-K292 WeakPolarHBondContact CA-O 3.29Å; D269-K292 HydrophobicContact CB-CG 3.85Å; D269-K292 WeakPolarHBondContact OD1-CE 3.38Å; D269-K292 WeakPolarHBondContact OD1-CG 3.25Å; Y270-K292 PolarHBondContact N-O 3.17Å; K292-N294 PolarHBondContact O-ND2 3.32Å; K292-E315 CarbonylContact C-O 3.15Å; K292-E315 WeakPolarHBondContact CA-O 3.36Å; K292-E315 HydrophobicContact CB-CB 4.01Å; K292-E315 WeakPolarHBondContact CB-O 3.47Å
293	Y	98.8	Very high	98.3	Very high	79 Å²	79	39 Å²	39	31%	0.31	22%	0.219	S	C	.	.	S	Bend	trans	55.5	57	179.1	-60.9	-81	0	0	0	111.5	Y270 N271 E315 G316	Y270-Y293 WeakPolarHBondContact CA-O 3.46Å; Y270-Y293 VanDerWaalsContact CD1-CB 3.47Å; Y270-Y293 HydrophobicContact CD1-CD2 4.06Å; Y270-Y293 AromaticContact CD1-CG 3.8Å; Y270-Y293 HydrophobicContact CD1-CG 3.8Å; Y270-Y293 HydrophobicContact CE1-CD1 4.04Å; Y270-Y293 AromaticContact CE1-CD2 3.33Å; Y270-Y293 HydrophobicContact CE1-CD2 3.33Å; Y270-Y293 AromaticContact CE1-CE2 3.95Å; Y270-Y293 HydrophobicContact CE1-CE2 3.95Å; Y270-Y293 AromaticContact CE1-CG 3.38Å; Y270-Y293 HydrophobicContact CE1-CG 3.38Å; Y270-Y293 HydrophobicContact CE2-CD2 4.01Å; Y270-Y293 AromaticContact CZ-CD2 3.3Å; Y270-Y293 AromaticContact CZ-CE2 3.72Å; Y270-Y293 AromaticContact CZ-CG 3.89Å; Y270-Y293 PolarHBondContact N-O 3.47Å; Y270-Y293 WeakPolarHBondContact OH-CD2 3.48Å; Y270-Y293 VanDerWaalsContact OH-CE2 3.23Å; Y270-Y293 WeakPolarHBondContact OH-CE2 3.19Å; N271-Y293 PolarHBondContact N-O 3.15Å; Y293-E315 HydrophobicContact CE2-CG 4.14Å; Y293-E315 PolarHBondContact N-O 3.4Å; Y293-E315 PolarHBondContact OH-OE1 3.05Å; Y293-G316 WeakPolarHBondContact CA-O 3.46Å; Y293-G316 PolarHBondContact N-O 2.84Å
294	N	98.8	Very high	98.1	Very high	8 Å²	8	40.1 Å²	40.1	4%	0.043	23%	0.226	C	C	.	.	S	Bend	trans	-126.5	-163	173.7	-85	-70.8	0	0	0	108.8	V268 N271 Q272 I273 I291 K292 L296 G316 N317	V268-N294 PolarHBondContact O-ND2 2.85Å; N271-N294 VanDerWaalsContact CA-OD1 3.3Å; N271-N294 WeakPolarHBondContact CA-OD1 3.23Å; N271-N294 WeakPolarHBondContact CB-OD1 3.32Å; N271-N294 PolarHBondContact N-OD1 2.96Å; N271-N294 PolarHBondContact O-OD1 3.29Å; Q272-N294 PolarHBondContact N-OD1 3.16Å; I273-N294 HydrophobicContact CB-CB 4.33Å; I273-N294 WeakPolarHBondContact CB-OD1 3.26Å; I273-N294 PolarHBondContact N-OD1 3.41Å; I291-N294 PolarHBondContact O-ND2 3.21Å; K292-N294 PolarHBondContact O-ND2 3.32Å; N294-L296 HydrophobicContact CB-CG 4.3Å; N294-G316 PolarHBondContact N-O 2.93Å; N294-N317 WeakPolarHBondContact CA-OD1 3.24Å; N294-N317 WeakPolarHBondContact CB-OD1 3.49Å; N294-N317 PolarHBondContact N-OD1 2.74Å; N294-N317 PolarHBondContact O-OD1 3.19Å
295	C	98.5	Very high	98.2	Very high	56 Å²	56	41 Å²	41	38%	0.378	23%	0.226	S	C	.	.			trans	-115.1	25.4	-179.8	-60.2	0	0	0	0	111.9	I273 S297 N317	I273-C295 CarbonylContact O-C 3.22Å; I273-C295 VanDerWaalsContact O-C 3.28Å; I273-C295 WeakPolarHBondContact O-CA 3.08Å; I273-C295 PolarHBondContact O-N 2.84Å; C295-S297 PolarHBondContact O-N 3.44Å; C295-N317 PolarHBondContact N-OD1 2.83Å
296	L	98.7	Very high	98.2	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.21	C	C	.	.			trans	-64.5	130.7	-175.9	-60.7	173.7	0	0	0	110.7	I273 D274 L276 I291 N294 L299 N317 H318 I319	I273-L296 HydrophobicContact CG2-CD2 3.97Å; I273-L296 PolarHBondContact O-N 3.21Å; D274-L296 WeakPolarHBondContact O-CA 3.4Å; L276-L296 HydrophobicContact CD2-CD1 4.36Å; L276-L296 HydrophobicContact CD2-CD2 4.16Å; L276-L296 HydrophobicContact CG-CD1 4.25Å; L276-L296 HydrophobicContact CG-CD2 4.03Å; I291-L296 HydrophobicContact CB-CD1 4.09Å; I291-L296 HydrophobicContact CD1-CD1 4.08Å; I291-L296 HydrophobicContact CG1-CD1 4.45Å; N294-L296 HydrophobicContact CB-CG 4.3Å; L296-L299 HydrophobicContact CD1-CD2 4.27Å; L296-N317 HydrophobicContact CB-CB 4.11Å; L296-N317 WeakPolarHBondContact CB-OD1 3.44Å; L296-N317 WeakPolarHBondContact CG-OD1 3.22Å; L296-N317 PolarHBondContact N-OD1 3.47Å; L296-H318 CarbonylContact O-C 3.59Å; L296-H318 VanDerWaalsContact O-C 3.28Å; L296-H318 VanDerWaalsContact O-CA 3.3Å; L296-H318 WeakPolarHBondContact O-CA 3.32Å; L296-H318 WeakPolarHBondContact O-CB 3.26Å; L296-H318 PolarHBondContact O-N 2.9Å; L296-I319 HydrophobicContact CB-CD1 4.02Å; L296-I319 HydrophobicContact CB-CG1 4.2Å; L296-I319 WeakPolarHBondContact O-CG1 3.48Å; L296-I319 PolarHBondContact O-N 3.21Å
297	S	98.2	Very high	98.1	Very high	69 Å²	69	43.3 Å²	43.3	48%	0.483	24%	0.237	S	C	.	.	S	Bend	trans	-99.7	-22	171.8	54.2	0	0	0	0	113.3	C295	C295-S297 PolarHBondContact O-N 3.44Å
298	E	98.2	Very high	98.1	Very high	128 Å²	128	45.2 Å²	45.2	60%	0.598	24%	0.241	S	C	*	.			trans	-151.9	168.8	178.6	63.9	178.3	-166.3	0	0	111.8
299	L	98.5	Very high	98.1	Very high	8 Å²	8	43.4 Å²	43.4	4%	0.042	23%	0.23	C	C	.	.			trans	-113	141	167.5	-57.7	178.9	0	0	0	109.4	L276 I291 L296 I303 L312 I314 I319 L322 P323 L326	L276-L299 HydrophobicContact CD1-CD2 3.74Å; I291-L299 HydrophobicContact CD1-CD2 4.11Å; L296-L299 HydrophobicContact CD1-CD2 4.27Å; L299-I303 HydrophobicContact CB-CG2 4.39Å; L299-I303 HydrophobicContact CD1-CD1 4.3Å; L299-L312 HydrophobicContact CD1-CD1 4.28Å; L299-I314 HydrophobicContact CD1-CG2 4.17Å; L299-I314 HydrophobicContact CD2-CG2 4.35Å; L299-I319 HydrophobicContact CD2-CD1 3.85Å; L299-I319 HydrophobicContact CG-CD1 3.98Å; L299-L322 HydrophobicContact CD1-CD2 3.8Å; L299-P323 HydrophobicContact CB-CG 4.25Å; L299-P323 VanDerWaalsContact O-CG 3.26Å; L299-P323 WeakPolarHBondContact O-CG 3.37Å; L299-L326 HydrophobicContact CD1-CD2 4.15Å
300	P	98.1	Very high	97.8	Very high	18 Å²	18	45.6 Å²	45.6	12%	0.117	24%	0.244	C	C	.	.			trans	-68.3	140.2	175.7	29.2	-35.8	0	0	0	110.3	L276 I280 T302 I303	L276-P300 HydrophobicContact CB-CG 3.91Å; I280-P300 HydrophobicContact CG2-CG 3.75Å; P300-T302 PolarHBondContact O-N 2.61Å; P300-I303 WeakPolarHBondContact O-CB 3.06Å; P300-I303 WeakPolarHBondContact O-CG2 3.4Å; P300-I303 PolarHBondContact O-N 2.76Å
301	V	97.9	Very high	97.8	Very high	106 Å²	106	48.9 Å²	48.9	64%	0.642	26%	0.258	S	S	*	.	G	3₁₀ helix	trans	-53.2	-34.5	179.2	179.9	0	0	0	0	112.2	I303 C304 P323	V301-I303 PolarHBondContact O-N 3.43Å; V301-C304 PolarHBondContact O-N 3.09Å; V301-C304 VanDerWaalsContact O-N 3.12Å; V301-C304 PolarHBondContact O-SG 3.5Å; V301-P323 HydrophobicContact CG2-CB 4.25Å
302	T	98	Very high	97.8	Very high	45 Å²	45	49 Å²	49	28%	0.276	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-61.3	-15.3	-179.2	54.3	0	0	0	0	114.3	K278 G281 P300 C304 N305	K278-T302 HydrophobicContact CB-CG2 4.47Å; K278-T302 WeakPolarHBondContact O-CB 3.17Å; K278-T302 PolarHBondContact O-OG1 3.5Å; G281-T302 WeakPolarHBondContact CA-O 3.15Å; P300-T302 PolarHBondContact O-N 2.61Å; T302-C304 PolarHBondContact O-N 3.05Å; T302-C304 VanDerWaalsContact O-N 3.16Å; T302-N305 WeakPolarHBondContact O-CB 3.49Å; T302-N305 PolarHBondContact O-N 3.44Å; T302-N305 VanDerWaalsContact O-N 3.07Å
303	I	97.7	Very high	97.8	Very high	1 Å²	1	47.4 Å²	47.4	1%	0.005	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-60.9	-19.5	173.6	-160.8	174.7	0	0	0	112.5	L276 I280 L289 L299 P300 V301 N305 C306 L326	L276-I303 HydrophobicContact CD1-CD1 4.34Å; I280-I303 HydrophobicContact CG2-CB 4.25Å; L289-I303 HydrophobicContact CD2-CD1 3.92Å; L299-I303 HydrophobicContact CB-CG2 4.39Å; L299-I303 HydrophobicContact CD1-CD1 4.3Å; P300-I303 WeakPolarHBondContact O-CB 3.06Å; P300-I303 WeakPolarHBondContact O-CG2 3.4Å; P300-I303 PolarHBondContact O-N 2.76Å; V301-I303 PolarHBondContact O-N 3.43Å; I303-N305 PolarHBondContact O-N 3.35Å; I303-C306 WeakPolarHBondContact O-CB 3.42Å; I303-C306 PolarHBondContact O-N 3.13Å; I303-L326 HydrophobicContact CG2-CD1 3.55Å; I303-L326 HydrophobicContact CG2-CD2 3.8Å; I303-L326 HydrophobicContact CG2-CG 4.35Å
304	C	96	Very high	97.8	Very high	24 Å²	24	43.7 Å²	43.7	16%	0.162	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-59	-25.2	172.5	66.4	0	0	0	0	113.3	V301 T302 C306 L326 H329	V301-C304 PolarHBondContact O-N 3.09Å; V301-C304 VanDerWaalsContact O-N 3.12Å; V301-C304 PolarHBondContact O-SG 3.5Å; T302-C304 PolarHBondContact O-N 3.05Å; T302-C304 VanDerWaalsContact O-N 3.16Å; C304-C306 PolarHBondContact O-N 3.14Å; C304-L326 HydrophobicContact CB-CD1 4Å; C304-H329 HydrophobicContact CB-CB 4.05Å
305	N	97.6	Very high	97.8	Very high	83 Å²	83	45.2 Å²	45.2	44%	0.444	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-75	-9	177.6	-62.7	-13.8	0	0	0	113.1	G281 T302 I303 E307	G281-N305 WeakPolarHBondContact O-CB 3.4Å; T302-N305 WeakPolarHBondContact O-CB 3.49Å; T302-N305 PolarHBondContact O-N 3.44Å; T302-N305 VanDerWaalsContact O-N 3.07Å; I303-N305 PolarHBondContact O-N 3.35Å; N305-E307 PolarHBondContact O-N 2.71Å
306	C	97.7	Very high	97.8	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.234	C	C	.	.			trans	-83.2	54	175.6	-61.1	0	0	0	0	111	I280 I303 C304 K308 L309	I280-C306 PolarHBondContact O-SG 2.94Å; I280-C306 VanDerWaalsContact O-SG 3.35Å; I303-C306 WeakPolarHBondContact O-CB 3.42Å; I303-C306 PolarHBondContact O-N 3.13Å; C304-C306 PolarHBondContact O-N 3.14Å; C306-K308 PolarHBondContact O-N 3.5Å; C306-L309 HydrophobicContact CB-CD1 3.62Å; C306-L309 HydrophobicContact CB-CG 3.85Å; C306-L309 WeakPolarHBondContact O-CB 3.44Å; C306-L309 VanDerWaalsContact O-CG 3.31Å; C306-L309 WeakPolarHBondContact O-CG 3.39Å; C306-L309 PolarHBondContact O-N 3.06Å
307	E	96.9	Very high	97.8	Very high	123 Å²	123	43.5 Å²	43.5	58%	0.575	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-19.5	-169.8	-60.8	177.6	-172.1	0	0	114.1	N305 L309 K331	N305-E307 PolarHBondContact O-N 2.71Å; E307-L309 VanDerWaalsContact C-N 3.35Å; E307-K331 WeakPolarHBondContact O-CA 3.3Å; E307-K331 WeakPolarHBondContact O-CB 3.14Å; E307-K331 PolarHBondContact O-N 3.24Å; E307-K331 VanDerWaalsContact O-N 3.15Å
308	K	97.5	Very high	97.8	Very high	86 Å²	86	45 Å²	45	37%	0.374	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-5.2	179.5	-65.8	-176.3	-176.8	171	0	114.2	S284 E285 L286 T287 C306 T310	S284-K308 WeakPolarHBondContact O-CD 3.25Å; E285-K308 IonicContact OE1-NZ 3.19Å; E285-K308 PolarHBondContact OE1-NZ 3.35Å; E285-K308 IonicContact OE2-NZ 2.68Å; E285-K308 PolarHBondContact OE2-NZ 2.73Å; L286-K308 CarbonylContact O-C 3.17Å; L286-K308 WeakPolarHBondContact O-CB 3.18Å; T287-K308 HydrophobicContact CG2-CB 4.14Å; C306-K308 PolarHBondContact O-N 3.5Å; K308-T310 PolarHBondContact O-N 3.46Å
309	L	97.9	Very high	97.8	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.005	21%	0.206	C	C	.	.			trans	-58	121.2	178.8	-76.5	174.9	0	0	0	110.7	L286 L289 C306 E307 L330 K331	L286-L309 HydrophobicContact CD2-CD2 4.17Å; L286-L309 HydrophobicContact CG-CD2 3.97Å; L286-L309 PolarHBondContact O-N 2.77Å; L289-L309 HydrophobicContact CB-CD2 3.92Å; C306-L309 HydrophobicContact CB-CD1 3.62Å; C306-L309 HydrophobicContact CB-CG 3.85Å; C306-L309 WeakPolarHBondContact O-CB 3.44Å; C306-L309 VanDerWaalsContact O-CG 3.31Å; C306-L309 WeakPolarHBondContact O-CG 3.39Å; C306-L309 PolarHBondContact O-N 3.06Å; E307-L309 VanDerWaalsContact C-N 3.35Å; L309-L330 HydrophobicContact CB-CD2 4.39Å; L309-L330 HydrophobicContact CD1-CD2 4.16Å; L309-K331 WeakPolarHBondContact O-CB 3.34Å
310	T	93.5	Very high	97.8	Very high	59 Å²	59	42 Å²	42	36%	0.362	23%	0.226	S	C	.	.	S	Bend	trans	-87.1	-19.8	178.4	58.2	0	0	0	0	112.7	T287 K308 K331 S335	T287-T310 PolarHBondContact O-N 2.96Å; T287-T310 PolarHBondContact O-OG1 3.03Å; K308-T310 PolarHBondContact O-N 3.46Å; T310-K331 HydrophobicContact CG2-CD 3.83Å; T310-S335 PolarHBondContact O-N 3.01Å
311	E	97.7	Very high	97.8	Very high	75 Å²	75	43.4 Å²	43.4	35%	0.35	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	134.4	-179.6	-176.5	-177.3	-178.8	0	0	109	N313 S335	E311-N313 HydrophobicContact CG-CB 4Å; E311-N313 WeakPolarHBondContact OE1-CB 3.47Å; E311-N313 PolarHBondContact OE1-ND2 3.07Å; E311-S335 CarbonylContact C-O 3.56Å; E311-S335 WeakPolarHBondContact CA-O 3.35Å; E311-S335 WeakPolarHBondContact CG-O 3.4Å
312	L	98.2	Very high	97.8	Very high	3 Å²	3	38.7 Å²	38.7	2%	0.016	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	100.1	164.8	178.7	64.3	0	0	0	108	L299 I314 L322 L326 L327 L330 S335 V336 V337	L299-L312 HydrophobicContact CD1-CD1 4.28Å; L312-I314 HydrophobicContact CD1-CG2 3.97Å; L312-I314 HydrophobicContact CG-CG2 4.34Å; L312-L322 HydrophobicContact CD2-CD1 4.18Å; L312-L326 HydrophobicContact CD2-CD2 4.05Å; L312-L327 HydrophobicContact CD2-CD2 3.65Å; L312-L330 HydrophobicContact CB-CD1 4.19Å; L312-L330 HydrophobicContact CD2-CD1 4.24Å; L312-S335 PolarHBondContact N-O 3.05Å; L312-V336 WeakPolarHBondContact O-CA 3.32Å; L312-V337 PolarHBondContact O-N 3.12Å
313	N	98.5	Very high	97.8	Very high	24 Å²	24	37.3 Å²	37.3	13%	0.128	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	106.3	-180	-170.8	-30.3	0	0	0	110.4	E311 E315 V337	E311-N313 HydrophobicContact CG-CB 4Å; E311-N313 WeakPolarHBondContact OE1-CB 3.47Å; E311-N313 PolarHBondContact OE1-ND2 3.07Å; N313-E315 VanDerWaalsContact OD1-CB 3.31Å; N313-E315 WeakPolarHBondContact OD1-CB 3.31Å; N313-E315 PolarHBondContact OD1-N 3.37Å; N313-V337 WeakPolarHBondContact CA-O 3.36Å; N313-V337 HydrophobicContact CB-CB 4.11Å
314	I	98.6	Very high	97.8	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.221	C	C	.	.			trans	-114.1	22.6	-178.9	63.3	164.6	0	0	0	111.9	I291 L299 L312 G316 N317 I319 L322 V337 L338 N341 F343	I291-I314 HydrophobicContact CD1-CG2 3.69Å; I291-I314 HydrophobicContact CG1-CG2 4.17Å; L299-I314 HydrophobicContact CD1-CG2 4.17Å; L299-I314 HydrophobicContact CD2-CG2 4.35Å; L312-I314 HydrophobicContact CD1-CG2 3.97Å; L312-I314 HydrophobicContact CG-CG2 4.34Å; I314-G316 PolarHBondContact O-N 3.01Å; I314-N317 PolarHBondContact O-ND2 3.39Å; I314-I319 HydrophobicContact CB-CD1 4.13Å; I314-I319 HydrophobicContact CD1-CB 4.05Å; I314-I319 HydrophobicContact CD1-CD1 3.5Å; I314-I319 HydrophobicContact CD1-CG1 4.32Å; I314-I319 HydrophobicContact CD1-CG2 4.05Å; I314-I319 HydrophobicContact CG1-CD1 4.39Å; I314-I319 HydrophobicContact CG2-CD1 4.41Å; I314-L322 HydrophobicContact CD1-CD2 3.96Å; I314-V337 PolarHBondContact N-O 3.4Å; I314-L338 HydrophobicContact CD1-CD2 3.66Å; I314-L338 HydrophobicContact CG1-CB 4.48Å; I314-L338 HydrophobicContact CG1-CD2 3.65Å; I314-N341 PolarHBondContact O-ND2 3.5Å; I314-F343 HydrophobicContact CD1-CE2 4.01Å; I314-F343 HydrophobicContact CD1-CZ 4.17Å
315	E	98.8	Very high	97.8	Very high	40 Å²	40	43.1 Å²	43.1	19%	0.187	22%	0.219	C	C	.	.			trans	-52.4	138.2	-173.4	179.9	-174	164.7	0	0	112.8	K292 Y293 N313 V337 S339 H340	K292-E315 CarbonylContact C-O 3.15Å; K292-E315 WeakPolarHBondContact CA-O 3.36Å; K292-E315 HydrophobicContact CB-CB 4.01Å; K292-E315 WeakPolarHBondContact CB-O 3.47Å; Y293-E315 HydrophobicContact CE2-CG 4.14Å; Y293-E315 PolarHBondContact N-O 3.4Å; Y293-E315 PolarHBondContact OH-OE1 3.05Å; N313-E315 VanDerWaalsContact OD1-CB 3.31Å; N313-E315 WeakPolarHBondContact OD1-CB 3.31Å; N313-E315 PolarHBondContact OD1-N 3.37Å; E315-V337 HydrophobicContact CB-CG1 4.34Å; E315-S339 WeakPolarHBondContact CA-O 3.48Å; E315-H340 HydrophobicContact CG-CB 4.41Å; E315-H340 IonicContact OE1-CD2 3.03Å
316	G	98.7	Very high	97.8	Very high	15 Å²	15	39.2 Å²	39.2	16%	0.155	20%	0.199	C	C	.	.	S	Bend	trans	70.4	47.5	173.9	0	0	0	0	0	113.2	Y293 N294 I314 S339 H340	Y293-G316 WeakPolarHBondContact CA-O 3.46Å; Y293-G316 PolarHBondContact N-O 2.84Å; N294-G316 PolarHBondContact N-O 2.93Å; I314-G316 PolarHBondContact O-N 3.01Å; G316-S339 PolarHBondContact N-O 2.92Å; G316-S339 VanDerWaalsContact N-O 3.14Å; G316-H340 WeakPolarHBondContact CA-O 3.44Å; G316-H340 PolarHBondContact N-O 3.43Å
317	N	98.8	Very high	97.8	Very high	5 Å²	5	39.2 Å²	39.2	3%	0.027	20%	0.199	C	C	.	.	S	Bend	trans	-125.8	-168.6	172.5	-78	-77.4	0	0	0	109.5	I291 N294 C295 L296 I314 I319 H340 N341	I291-N317 PolarHBondContact O-ND2 2.77Å; I291-N317 VanDerWaalsContact O-ND2 3.07Å; N294-N317 WeakPolarHBondContact CA-OD1 3.24Å; N294-N317 WeakPolarHBondContact CB-OD1 3.49Å; N294-N317 PolarHBondContact N-OD1 2.74Å; N294-N317 PolarHBondContact O-OD1 3.19Å; C295-N317 PolarHBondContact N-OD1 2.83Å; L296-N317 HydrophobicContact CB-CB 4.11Å; L296-N317 WeakPolarHBondContact CB-OD1 3.44Å; L296-N317 WeakPolarHBondContact CG-OD1 3.22Å; L296-N317 PolarHBondContact N-OD1 3.47Å; I314-N317 PolarHBondContact O-ND2 3.39Å; N317-I319 HydrophobicContact CB-CD1 4.33Å; N317-I319 HydrophobicContact CB-CG1 4.26Å; N317-H340 PolarHBondContact N-O 2.97Å; N317-N341 WeakPolarHBondContact CA-OD1 3.1Å; N317-N341 VanDerWaalsContact CB-OD1 3.25Å; N317-N341 WeakPolarHBondContact CB-OD1 3.05Å; N317-N341 PolarHBondContact O-OD1 3.47Å
318	H	98.5	Very high	97.7	Very high	100 Å²	100	33.9 Å²	33.9	46%	0.463	18%	0.175	S	C	.	.			trans	-114.2	30.8	179.6	-60	-57.5	0	0	0	111.7	L296 D342	L296-H318 CarbonylContact O-C 3.59Å; L296-H318 VanDerWaalsContact O-C 3.28Å; L296-H318 VanDerWaalsContact O-CA 3.3Å; L296-H318 WeakPolarHBondContact O-CA 3.32Å; L296-H318 WeakPolarHBondContact O-CB 3.26Å; L296-H318 PolarHBondContact O-N 2.9Å; H318-D342 WeakPolarHBondContact CA-OD2 3.18Å; H318-D342 IonicContact ND1-OD2 2.67Å
319	I	98.7	Very high	97.7	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.178	C	C	.	.			trans	-79	133	-175.1	-65.3	171.9	0	0	0	109.5	L296 L299 I314 N317 Q321 L322 N341 D342 F343	L296-I319 HydrophobicContact CB-CD1 4.02Å; L296-I319 HydrophobicContact CB-CG1 4.2Å; L296-I319 WeakPolarHBondContact O-CG1 3.48Å; L296-I319 PolarHBondContact O-N 3.21Å; L299-I319 HydrophobicContact CD2-CD1 3.85Å; L299-I319 HydrophobicContact CG-CD1 3.98Å; I314-I319 HydrophobicContact CB-CD1 4.13Å; I314-I319 HydrophobicContact CD1-CB 4.05Å; I314-I319 HydrophobicContact CD1-CD1 3.5Å; I314-I319 HydrophobicContact CD1-CG1 4.32Å; I314-I319 HydrophobicContact CD1-CG2 4.05Å; I314-I319 HydrophobicContact CG1-CD1 4.39Å; I314-I319 HydrophobicContact CG2-CD1 4.41Å; N317-I319 HydrophobicContact CB-CD1 4.33Å; N317-I319 HydrophobicContact CB-CG1 4.26Å; I319-Q321 WeakPolarHBondContact CG2-O 3.23Å; I319-L322 HydrophobicContact CG2-CD2 4.36Å; I319-N341 WeakPolarHBondContact CB-OD1 3.25Å; I319-N341 PolarHBondContact N-OD1 3.42Å; I319-N341 VanDerWaalsContact N-OD1 3.07Å; I319-D342 CarbonylContact O-C 3.45Å; I319-D342 WeakPolarHBondContact O-CA 3.48Å; I319-D342 PolarHBondContact O-N 3.42Å; I319-F343 HydrophobicContact CB-CE2 4.16Å; I319-F343 HydrophobicContact CB-CZ 4.39Å; I319-F343 HydrophobicContact CG2-CE1 4.42Å; I319-F343 HydrophobicContact CG2-CE2 3.81Å; I319-F343 HydrophobicContact CG2-CZ 3.55Å; I319-F343 WeakPolarHBondContact O-CD2 3.26Å; I319-F343 PolarHBondContact O-N 2.86Å
320	T	98.2	Very high	97.6	Very high	73 Å²	73	34.4 Å²	34.4	45%	0.448	18%	0.178	S	C	.	.			trans	-106.4	-26.6	179.4	55.8	0	0	0	0	113	D342 F343	T320-D342 HydrophobicContact CG2-CB 3.81Å; T320-F343 VanDerWaalsContact O-CD1 3.22Å; T320-F343 WeakPolarHBondContact O-CD1 3.47Å
321	Q	98.1	Very high	97.6	Very high	48 Å²	48	36.7 Å²	36.7	22%	0.224	18%	0.183	C	C	.	.			trans	-150.6	155.5	178	-77.1	-58.1	-37.9	0	0	110.8	I319 S345	I319-Q321 WeakPolarHBondContact CG2-O 3.23Å; Q321-S345 PolarHBondContact NE2-OG 2.82Å
322	L	98.2	Very high	97.5	Very high	7 Å²	7	37.6 Å²	37.6	4%	0.037	19%	0.191	C	C	.	.	P	Polyproline II helix	trans	-94.7	159.2	167.6	-58.6	-178.8	0	0	0	110	L299 L312 I314 I319 E324 L326 L327 L338 F343 P347	L299-L322 HydrophobicContact CD1-CD2 3.8Å; L312-L322 HydrophobicContact CD2-CD1 4.18Å; I314-L322 HydrophobicContact CD1-CD2 3.96Å; I319-L322 HydrophobicContact CG2-CD2 4.36Å; L322-E324 PolarHBondContact O-N 3.36Å; L322-L326 HydrophobicContact CB-CD2 4.39Å; L322-L327 HydrophobicContact CD1-CD1 4.26Å; L322-L327 HydrophobicContact CD1-CD2 3.85Å; L322-L327 HydrophobicContact CD1-CG 4.07Å; L322-L338 HydrophobicContact CD1-CD1 4.16Å; L322-L338 HydrophobicContact CD1-CD2 4.21Å; L322-L338 HydrophobicContact CD2-CD2 4.44Å; L322-F343 HydrophobicContact CD2-CZ 3.92Å; L322-F343 HydrophobicContact CG-CE1 4.14Å; L322-F343 HydrophobicContact CG-CZ 3.98Å; L322-P347 HydrophobicContact CB-CB 4.14Å; L322-P347 HydrophobicContact CD1-CB 3.92Å; L322-P347 HydrophobicContact CD1-CG 3.72Å; L322-P347 HydrophobicContact CG-CB 4.08Å; L322-P347 HydrophobicContact CG-CG 3.97Å
323	P	97.7	Very high	97.3	Very high	17 Å²	17	40 Å²	40	11%	0.11	21%	0.208	C	C	.	.	P	Polyproline II helix	trans	-50.7	139.9	164.2	-26.4	34.6	0	0	0	111.5	L299 V301 N325 L326	L299-P323 HydrophobicContact CB-CG 4.25Å; L299-P323 VanDerWaalsContact O-CG 3.26Å; L299-P323 WeakPolarHBondContact O-CG 3.37Å; V301-P323 HydrophobicContact CG2-CB 4.25Å; P323-N325 PolarHBondContact O-N 2.83Å; P323-L326 HydrophobicContact CB-CB 4.28Å; P323-L326 HydrophobicContact CG-CD2 4.41Å; P323-L326 VanDerWaalsContact O-CB 3.26Å; P323-L326 WeakPolarHBondContact O-CB 3.35Å; P323-L326 PolarHBondContact O-N 3.29Å; P323-L326 VanDerWaalsContact O-N 3.14Å
324	E	97.3	Very high	97.1	Very high	122 Å²	122	38.9 Å²	38.9	57%	0.57	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.3	135.9	-179.7	-162.6	-168.1	153	0	0	110.5	L322 L326 I348	L322-E324 PolarHBondContact O-N 3.36Å; E324-L326 PolarHBondContact O-N 3.29Å; E324-I348 HydrophobicContact CB-CD1 4.49Å; E324-I348 HydrophobicContact CB-CG1 4.5Å; E324-I348 HydrophobicContact CG-CG1 4.45Å
325	N	96.4	Very high	97.1	Very high	25 Å²	25	40.4 Å²	40.4	13%	0.134	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.2	13.5	177.6	-57.8	-44.6	0	0	0	114.6	P323 L327 C328 H329 I348 G349 D350 Q353	P323-N325 PolarHBondContact O-N 2.83Å; N325-L327 PolarHBondContact O-N 2.93Å; N325-C328 PolarHBondContact O-N 3.21Å; N325-C328 PolarHBondContact O-SG 3.25Å; N325-H329 PolarHBondContact O-CE1 3.23Å; N325-H329 PolarHBondContact O-ND1 3.15Å; N325-I348 PolarHBondContact N-O 2.92Å; N325-G349 WeakPolarHBondContact OD1-CA 3.26Å; N325-D350 PolarHBondContact OD1-N 3.43Å; N325-D350 PolarHBondContact OD1-OD1 3.05Å; N325-Q353 PolarHBondContact O-OE1 2.9Å
326	L	97.5	Very high	97.1	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.005	20%	0.203	C	C	.	.	H	α-helix	trans	-55.7	-48.7	-178.3	172.6	57.2	0	0	0	112.7	L299 I303 C304 L312 L322 P323 E324 C328 H329 L330	L299-L326 HydrophobicContact CD1-CD2 4.15Å; I303-L326 HydrophobicContact CG2-CD1 3.55Å; I303-L326 HydrophobicContact CG2-CD2 3.8Å; I303-L326 HydrophobicContact CG2-CG 4.35Å; C304-L326 HydrophobicContact CB-CD1 4Å; L312-L326 HydrophobicContact CD2-CD2 4.05Å; L322-L326 HydrophobicContact CB-CD2 4.39Å; P323-L326 HydrophobicContact CB-CB 4.28Å; P323-L326 HydrophobicContact CG-CD2 4.41Å; P323-L326 VanDerWaalsContact O-CB 3.26Å; P323-L326 WeakPolarHBondContact O-CB 3.35Å; P323-L326 PolarHBondContact O-N 3.29Å; P323-L326 VanDerWaalsContact O-N 3.14Å; E324-L326 PolarHBondContact O-N 3.29Å; L326-C328 PolarHBondContact O-N 3.39Å; L326-H329 PolarHBondContact O-N 3.26Å; L326-H329 VanDerWaalsContact O-N 3.15Å; L326-L330 HydrophobicContact CD1-CD1 4.39Å; L326-L330 HydrophobicContact CD1-CD2 4.28Å; L326-L330 HydrophobicContact CD1-CG 4.3Å; L326-L330 HydrophobicContact CG-CD1 4.39Å
327	L	97.7	Very high	97.1	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-67.6	-26.7	-168.8	-60	-178.2	0	0	0	112.1	L312 L322 N325 H329 L330 L334 V336 Q353 Y354 V357 F360	L312-L327 HydrophobicContact CD2-CD2 3.65Å; L322-L327 HydrophobicContact CD1-CD1 4.26Å; L322-L327 HydrophobicContact CD1-CD2 3.85Å; L322-L327 HydrophobicContact CD1-CG 4.07Å; N325-L327 PolarHBondContact O-N 2.93Å; L327-H329 VanDerWaalsContact C-N 3.31Å; L327-H329 PolarHBondContact O-N 2.96Å; L327-L330 HydrophobicContact CD2-CD1 4.44Å; L327-L330 PolarHBondContact O-N 3.38Å; L327-L334 HydrophobicContact CD2-CD2 4.15Å; L327-V336 HydrophobicContact CD1-CG1 4.42Å; L327-V336 HydrophobicContact CD1-CG2 4.46Å; L327-V336 HydrophobicContact CD2-CG1 4.19Å; L327-V336 HydrophobicContact CD2-CG2 3.95Å; L327-Q353 CarbonylContact C-O 3.47Å; L327-Q353 VanDerWaalsContact CB-O 3.22Å; L327-Q353 WeakPolarHBondContact CB-O 3.18Å; L327-Y354 HydrophobicContact CD1-CD1 4.04Å; L327-Y354 HydrophobicContact CD1-CE1 3.83Å; L327-V357 HydrophobicContact CB-CG2 4.26Å; L327-V357 HydrophobicContact CD1-CG2 4.21Å; L327-F360 HydrophobicContact CD1-CE2 4.38Å
328	C	96.4	Very high	97.1	Very high	11 Å²	11	38 Å²	38	7%	0.074	20%	0.197	C	C	.	.	H	α-helix	trans	-79.3	-11.2	179.3	81.1	0	0	0	0	114.3	N325 L326 T352 Q353 K355 N356	N325-C328 PolarHBondContact O-N 3.21Å; N325-C328 PolarHBondContact O-SG 3.25Å; L326-C328 PolarHBondContact O-N 3.39Å; C328-T352 WeakPolarHBondContact CB-O 3.37Å; C328-Q353 PolarHBondContact N-O 3.48Å; C328-Q353 VanDerWaalsContact N-O 3.13Å; C328-K355 HydrophobicContact CB-CD 4.29Å; C328-K355 HydrophobicContact CB-CG 4.2Å; C328-K355 WeakPolarHBondContact O-CE 3.33Å; C328-K355 PolarHBondContact O-NZ 3.33Å; C328-N356 PolarHBondContact O-ND2 2.87Å
329	H	95.9	Very high	97.1	Very high	95 Å²	95	33.4 Å²	33.4	44%	0.44	18%	0.177	S	C	.	.	H	α-helix	trans	-91.6	-20.8	173.4	-67.7	89.3	0	0	0	113	C304 N325 L326 L327	C304-H329 HydrophobicContact CB-CB 4.05Å; N325-H329 PolarHBondContact O-CE1 3.23Å; N325-H329 PolarHBondContact O-ND1 3.15Å; L326-H329 PolarHBondContact O-N 3.26Å; L326-H329 VanDerWaalsContact O-N 3.15Å; L327-H329 VanDerWaalsContact C-N 3.31Å; L327-H329 PolarHBondContact O-N 2.96Å
330	L	95.9	Very high	97.1	Very high	3 Å²	3	37.1 Å²	37.1	2%	0.016	19%	0.194	C	C	.	.	S	Bend	trans	-78.5	168.1	179.8	-59.7	-176.3	0	0	0	111.3	L309 L312 L326 L327 L334 N356	L309-L330 HydrophobicContact CB-CD2 4.39Å; L309-L330 HydrophobicContact CD1-CD2 4.16Å; L312-L330 HydrophobicContact CB-CD1 4.19Å; L312-L330 HydrophobicContact CD2-CD1 4.24Å; L326-L330 HydrophobicContact CD1-CD1 4.39Å; L326-L330 HydrophobicContact CD1-CD2 4.28Å; L326-L330 HydrophobicContact CD1-CG 4.3Å; L326-L330 HydrophobicContact CG-CD1 4.39Å; L327-L330 HydrophobicContact CD2-CD1 4.44Å; L327-L330 PolarHBondContact O-N 3.38Å; L330-L334 HydrophobicContact CB-CD1 4.17Å; L330-L334 HydrophobicContact CB-CD2 3.78Å; L330-L334 HydrophobicContact CD1-CD1 4.39Å; L330-L334 HydrophobicContact CD1-CD2 3.78Å; L330-L334 HydrophobicContact CG-CD2 4.39Å; L330-N356 PolarHBondContact O-ND2 2.9Å
331	K	94.5	Very high	97.1	Very high	106 Å²	106	33.9 Å²	33.9	46%	0.461	17%	0.174	S	C	.	.	P	Polyproline II helix	trans	-53.1	144.2	-174.5	-164.8	-177.2	-177.2	174.9	0	112.7	E307 L309 T310 L334	E307-K331 WeakPolarHBondContact O-CA 3.3Å; E307-K331 WeakPolarHBondContact O-CB 3.14Å; E307-K331 PolarHBondContact O-N 3.24Å; E307-K331 VanDerWaalsContact O-N 3.15Å; L309-K331 WeakPolarHBondContact O-CB 3.34Å; T310-K331 HydrophobicContact CG2-CD 3.83Å; K331-L334 WeakPolarHBondContact O-CB 3.26Å
332	D	94.4	Very high	97.1	Very high	95 Å²	95	33.2 Å²	33.2	51%	0.508	17%	0.172	S	C	.	.	S	Bend	trans	-57.2	150.3	168.9	-173.6	44.6	0	0	0	112.7	L334 Q380	D332-L334 VanDerWaalsContact C-N 3.35Å; D332-Q380 PolarHBondContact OD1-NE2 2.87Å; D332-Q380 PolarHBondContact OD1-OE1 3.38Å
333	S	93.7	Very high	97.2	Very high	54 Å²	54	32.9 Å²	32.9	38%	0.378	17%	0.17	S	C	.	.	S	Bend	trans	57.6	42.6	-172.7	178.5	0	0	0	0	113.3	N356 K358 Q380	S333-N356 CarbonylContact C-O 3.6Å; S333-N356 WeakPolarHBondContact CA-O 3.26Å; S333-N356 PolarHBondContact N-O 2.84Å; S333-N356 VanDerWaalsContact N-O 3.1Å; S333-K358 WeakPolarHBondContact OG-CD 3.17Å; S333-Q380 VanDerWaalsContact N-NE2 3.13Å
334	L	95.4	Very high	97.2	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	135.2	-178.8	-171.5	66.6	0	0	0	112.4	L327 L330 K331 D332 V336 N356 K358 H359	L327-L334 HydrophobicContact CD2-CD2 4.15Å; L330-L334 HydrophobicContact CB-CD1 4.17Å; L330-L334 HydrophobicContact CB-CD2 3.78Å; L330-L334 HydrophobicContact CD1-CD1 4.39Å; L330-L334 HydrophobicContact CD1-CD2 3.78Å; L330-L334 HydrophobicContact CG-CD2 4.39Å; K331-L334 WeakPolarHBondContact O-CB 3.26Å; D332-L334 VanDerWaalsContact C-N 3.35Å; L334-V336 HydrophobicContact CB-CG2 4.41Å; L334-V336 HydrophobicContact CD2-CG2 3.38Å; L334-V336 HydrophobicContact CG-CG2 3.63Å; L334-N356 PolarHBondContact N-O 2.82Å; L334-K358 PolarHBondContact O-N 2.8Å; L334-H359 PolarHBondContact O-N 3.14Å
335	S	98.4	Very high	97.2	Very high	31 Å²	31	33.1 Å²	33.1	22%	0.217	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	124.8	162.3	-179.7	0	0	0	0	109.7	T310 E311 L312	T310-S335 PolarHBondContact O-N 3.01Å; E311-S335 CarbonylContact C-O 3.56Å; E311-S335 WeakPolarHBondContact CA-O 3.35Å; E311-S335 WeakPolarHBondContact CG-O 3.4Å; L312-S335 PolarHBondContact N-O 3.05Å
336	V	98.6	Very high	97.2	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	120.5	-177.9	-179.5	0	0	0	0	108.9	L312 L327 L334 L338 V357 H359 F360 R361	L312-V336 WeakPolarHBondContact O-CA 3.32Å; L327-V336 HydrophobicContact CD1-CG1 4.42Å; L327-V336 HydrophobicContact CD1-CG2 4.46Å; L327-V336 HydrophobicContact CD2-CG1 4.19Å; L327-V336 HydrophobicContact CD2-CG2 3.95Å; L334-V336 HydrophobicContact CB-CG2 4.41Å; L334-V336 HydrophobicContact CD2-CG2 3.38Å; L334-V336 HydrophobicContact CG-CG2 3.63Å; V336-L338 HydrophobicContact CG1-CD1 4.1Å; V336-L338 HydrophobicContact CG1-CD2 3.58Å; V336-L338 HydrophobicContact CG1-CG 3.71Å; V336-V357 HydrophobicContact CB-CG1 4.5Å; V336-V357 HydrophobicContact CG2-CG1 4.08Å; V336-V357 HydrophobicContact CG2-CG2 3.99Å; V336-H359 PolarHBondContact N-O 3.26Å; V336-F360 HydrophobicContact CB-CD2 3.83Å; V336-F360 HydrophobicContact CB-CE2 4.29Å; V336-F360 HydrophobicContact CG1-CD2 3.8Å; V336-F360 HydrophobicContact CG1-CE2 3.73Å; V336-R361 PolarHBondContact O-N 3.06Å
337	V	98.7	Very high	97.2	Very high	10 Å²	10	32.2 Å²	32.2	6%	0.061	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	101	-178.8	-174.4	0	0	0	0	108.8	L312 N313 I314 E315 S339 R361	L312-V337 PolarHBondContact O-N 3.12Å; N313-V337 WeakPolarHBondContact CA-O 3.36Å; N313-V337 HydrophobicContact CB-CB 4.11Å; I314-V337 PolarHBondContact N-O 3.4Å; E315-V337 HydrophobicContact CB-CG1 4.34Å; V337-S339 WeakPolarHBondContact CG1-OG 3.31Å; V337-R361 HydrophobicContact CG1-CB 4.39Å
338	L	98.8	Very high	97.1	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.196	C	C	.	.			trans	-105.7	15.2	179.1	-45.4	-176.9	0	0	0	111.1	I314 L322 V336 N341 F343 P347 F360 R361 L362 N365	I314-L338 HydrophobicContact CD1-CD2 3.66Å; I314-L338 HydrophobicContact CG1-CB 4.48Å; I314-L338 HydrophobicContact CG1-CD2 3.65Å; L322-L338 HydrophobicContact CD1-CD1 4.16Å; L322-L338 HydrophobicContact CD1-CD2 4.21Å; L322-L338 HydrophobicContact CD2-CD2 4.44Å; V336-L338 HydrophobicContact CG1-CD1 4.1Å; V336-L338 HydrophobicContact CG1-CD2 3.58Å; V336-L338 HydrophobicContact CG1-CG 3.71Å; L338-N341 WeakPolarHBondContact O-CB 3.3Å; L338-N341 PolarHBondContact O-ND2 3.19Å; L338-N341 VanDerWaalsContact O-ND2 3.15Å; L338-F343 HydrophobicContact CB-CD2 4.34Å; L338-F343 HydrophobicContact CB-CE2 3.95Å; L338-F343 HydrophobicContact CB-CZ 4.47Å; L338-F343 HydrophobicContact CD1-CE1 4.32Å; L338-F343 HydrophobicContact CD1-CE2 4.31Å; L338-F343 HydrophobicContact CD1-CZ 4.02Å; L338-P347 HydrophobicContact CD1-CG 3.7Å; L338-F360 HydrophobicContact CD1-CE2 3.79Å; L338-F360 HydrophobicContact CD1-CZ 3.96Å; L338-F360 HydrophobicContact CG-CE2 4.42Å; L338-R361 PolarHBondContact N-O 2.75Å; L338-L362 HydrophobicContact CB-CD1 3.71Å; L338-L362 HydrophobicContact CD1-CD1 3.91Å; L338-L362 HydrophobicContact CG-CD1 4.37Å; L338-N365 PolarHBondContact O-ND2 2.58Å
339	S	98.8	Very high	97	Very high	4 Å²	4	38 Å²	38	3%	0.028	21%	0.21	C	C	.	.			trans	-59.4	151.6	-172.5	-43.1	0	0	0	0	112.2	E315 G316 V337 N341 D363	E315-S339 WeakPolarHBondContact CA-O 3.48Å; G316-S339 PolarHBondContact N-O 2.92Å; G316-S339 VanDerWaalsContact N-O 3.14Å; V337-S339 WeakPolarHBondContact CG1-OG 3.31Å; S339-N341 PolarHBondContact O-N 3.49Å; S339-N341 PolarHBondContact O-ND2 3.4Å; S339-D363 CarbonylContact C-O 3.24Å; S339-D363 WeakPolarHBondContact CA-O 3.16Å; S339-D363 WeakPolarHBondContact CB-OD1 3.14Å; S339-D363 WeakPolarHBondContact CB-OD2 3.17Å; S339-D363 VanDerWaalsContact OG-CG 3.26Å; S339-D363 PolarHBondContact OG-OD1 3.23Å; S339-D363 PolarHBondContact OG-OD2 3.07Å
340	H	98.7	Very high	96.9	Very high	78 Å²	78	37.4 Å²	37.4	36%	0.361	21%	0.211	S	C	.	.	S	Bend	trans	53.2	56.4	177.9	-68.2	-73.7	0	0	0	113	E315 G316 N317 D363 Y364	E315-H340 HydrophobicContact CG-CB 4.41Å; E315-H340 IonicContact OE1-CD2 3.03Å; G316-H340 WeakPolarHBondContact CA-O 3.44Å; G316-H340 PolarHBondContact N-O 3.43Å; N317-H340 PolarHBondContact N-O 2.97Å; H340-D363 PolarHBondContact N-O 3.18Å; H340-D363 VanDerWaalsContact N-O 3.09Å; H340-Y364 VanDerWaalsContact CA-O 3.24Å; H340-Y364 WeakPolarHBondContact CA-O 3.45Å; H340-Y364 AromaticContact CE1-CD1 3.41Å; H340-Y364 VanDerWaalsContact CE1-CD1 3.41Å; H340-Y364 WeakPolarHBondContact CE1-CD1 3.49Å; H340-Y364 AromaticContact CE1-CD2 3.6Å; H340-Y364 AromaticContact CE1-CE1 3.94Å; H340-Y364 AromaticContact CE1-CG 3.22Å; H340-Y364 PolarHBondContact N-O 2.98Å; H340-Y364 WeakPolarHBondContact ND1-CB 3.14Å; H340-Y364 AromaticContact ND1-CD1 3.98Å; H340-Y364 AromaticContact ND1-CG 3.62Å; H340-Y364 AromaticContact NE2-CD2 3.46Å; H340-Y364 WeakPolarHBondContact NE2-CD2 3.09Å; H340-Y364 AromaticContact NE2-CE2 3.87Å; H340-Y364 AromaticContact NE2-CG 3.6Å
341	N	98.8	Very high	96.7	Very high	5 Å²	5	44.8 Å²	44.8	3%	0.027	24%	0.243	C	C	.	.	S	Bend	trans	-132.5	-167.1	175	-85.9	-83.1	0	0	0	109.6	I314 N317 I319 L338 S339 F343 Y364 N365	I314-N341 PolarHBondContact O-ND2 3.5Å; N317-N341 WeakPolarHBondContact CA-OD1 3.1Å; N317-N341 VanDerWaalsContact CB-OD1 3.25Å; N317-N341 WeakPolarHBondContact CB-OD1 3.05Å; N317-N341 PolarHBondContact O-OD1 3.47Å; I319-N341 WeakPolarHBondContact CB-OD1 3.25Å; I319-N341 PolarHBondContact N-OD1 3.42Å; I319-N341 VanDerWaalsContact N-OD1 3.07Å; L338-N341 WeakPolarHBondContact O-CB 3.3Å; L338-N341 PolarHBondContact O-ND2 3.19Å; L338-N341 VanDerWaalsContact O-ND2 3.15Å; S339-N341 PolarHBondContact O-N 3.49Å; S339-N341 PolarHBondContact O-ND2 3.4Å; N341-F343 HydrophobicContact CB-CD2 3.64Å; N341-F343 HydrophobicContact CB-CE2 3.85Å; N341-Y364 PolarHBondContact N-O 2.76Å; N341-N365 WeakPolarHBondContact CA-OD1 3.37Å; N341-N365 WeakPolarHBondContact CB-OD1 3.31Å; N341-N365 PolarHBondContact N-OD1 2.96Å; N341-N365 PolarHBondContact O-OD1 3.4Å; N341-N365 VanDerWaalsContact O-OD1 3.07Å
342	D	98.5	Very high	96.6	Very high	34 Å²	34	42.3 Å²	42.3	18%	0.182	24%	0.236	C	C	.	.			trans	-112.5	24.4	-175.3	-65.5	-36.6	0	0	0	112.4	H318 I319 T320 N344 N365 R366	H318-D342 WeakPolarHBondContact CA-OD2 3.18Å; H318-D342 IonicContact ND1-OD2 2.67Å; I319-D342 CarbonylContact O-C 3.45Å; I319-D342 WeakPolarHBondContact O-CA 3.48Å; I319-D342 PolarHBondContact O-N 3.42Å; T320-D342 HydrophobicContact CG2-CB 3.81Å; D342-N344 PolarHBondContact O-N 3.43Å; D342-N365 PolarHBondContact N-OD1 2.82Å; D342-R366 VanDerWaalsContact CG-NH2 3.31Å; D342-R366 IonicContact OD1-CZ 3.91Å; D342-R366 IonicContact OD1-NE 3Å; D342-R366 PolarHBondContact OD1-NE 2.98Å; D342-R366 IonicContact OD1-NH2 3.95Å; D342-R366 PolarHBondContact OD1-NH2 3.23Å; D342-R366 IonicContact OD2-NH2 2.94Å
343	F	98.6	Very high	96.7	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.212	C	C	.	.			trans	-63.9	128.8	176.5	-71.3	-94.9	0	0	0	110.5	I314 I319 T320 L322 L338 N341 P347 L362 N365 R366 L367	I314-F343 HydrophobicContact CD1-CE2 4.01Å; I314-F343 HydrophobicContact CD1-CZ 4.17Å; I319-F343 HydrophobicContact CB-CE2 4.16Å; I319-F343 HydrophobicContact CB-CZ 4.39Å; I319-F343 HydrophobicContact CG2-CE1 4.42Å; I319-F343 HydrophobicContact CG2-CE2 3.81Å; I319-F343 HydrophobicContact CG2-CZ 3.55Å; I319-F343 WeakPolarHBondContact O-CD2 3.26Å; I319-F343 PolarHBondContact O-N 2.86Å; T320-F343 VanDerWaalsContact O-CD1 3.22Å; T320-F343 WeakPolarHBondContact O-CD1 3.47Å; L322-F343 HydrophobicContact CD2-CZ 3.92Å; L322-F343 HydrophobicContact CG-CE1 4.14Å; L322-F343 HydrophobicContact CG-CZ 3.98Å; L338-F343 HydrophobicContact CB-CD2 4.34Å; L338-F343 HydrophobicContact CB-CE2 3.95Å; L338-F343 HydrophobicContact CB-CZ 4.47Å; L338-F343 HydrophobicContact CD1-CE1 4.32Å; L338-F343 HydrophobicContact CD1-CE2 4.31Å; L338-F343 HydrophobicContact CD1-CZ 4.02Å; N341-F343 HydrophobicContact CB-CD2 3.64Å; N341-F343 HydrophobicContact CB-CE2 3.85Å; F343-P347 HydrophobicContact CD1-CG 4.47Å; F343-P347 HydrophobicContact CE1-CG 3.96Å; F343-L362 HydrophobicContact CB-CD1 3.85Å; F343-L362 HydrophobicContact CD1-CD1 4.39Å; F343-L362 HydrophobicContact CD2-CD1 3.96Å; F343-L362 HydrophobicContact CG-CD1 3.82Å; F343-N365 HydrophobicContact CB-CB 4.27Å; F343-N365 WeakPolarHBondContact CB-OD1 3.33Å; F343-N365 WeakPolarHBondContact CD2-OD1 3.49Å; F343-N365 PolarHBondContact N-OD1 2.94Å; F343-R366 CarbonylContact O-C 3.37Å; F343-R366 WeakPolarHBondContact O-CA 3.45Å; F343-R366 WeakPolarHBondContact O-CB 3.46Å; F343-R366 PolarHBondContact O-N 2.8Å; F343-L367 HydrophobicContact CB-CD1 4.25Å
344	N	97.8	Very high	96.8	Very high	104 Å²	104	35.7 Å²	35.7	56%	0.556	20%	0.196	S	C	*	.	S	Bend	trans	-105.7	-8.2	172	62.2	-3.2	0	0	0	112.8	D342	D342-N344 PolarHBondContact O-N 3.43Å
345	S	97.3	Very high	96.9	Very high	40 Å²	40	39.8 Å²	39.8	28%	0.28	21%	0.214	S	C	.	.	S	Bend	trans	-149.7	171.9	174.6	66.2	0	0	0	0	109.6	Q321	Q321-S345 PolarHBondContact NE2-OG 2.82Å
346	F	97.5	Very high	96.8	Very high	3 Å²	3	39.5 Å²	39.5	1%	0.013	21%	0.21	C	C	.	.	P	Polyproline II helix	trans	-63.1	148.1	169.8	-84.1	-113.7	0	0	0	111.3	I348 Y354 F360 L362 L367 F370 L375 L386	F346-I348 PolarHBondContact O-N 3.12Å; F346-Y354 WeakPolarHBondContact CB-OH 3.38Å; F346-Y354 HydrophobicContact CD1-CE1 4.31Å; F346-Y354 AromaticContact CD1-CZ 3.94Å; F346-F360 AromaticContact CD1-CE1 3.73Å; F346-F360 HydrophobicContact CD1-CE1 3.73Å; F346-F360 HydrophobicContact CD1-CZ 4.25Å; F346-F360 HydrophobicContact CE1-CD1 4.02Å; F346-F360 AromaticContact CE1-CE1 3.41Å; F346-F360 HydrophobicContact CE1-CE1 3.41Å; F346-F360 VanDerWaalsContact CE1-CE1 3.41Å; F346-F360 HydrophobicContact CE1-CZ 4.36Å; F346-F360 HydrophobicContact CZ-CE1 4.17Å; F346-L362 HydrophobicContact CD2-CD2 4.19Å; F346-L362 HydrophobicContact CE2-CD2 4.26Å; F346-L362 HydrophobicContact CG-CD2 4.32Å; F346-L362 HydrophobicContact CZ-CD2 4.48Å; F346-L367 HydrophobicContact CD2-CD2 3.6Å; F346-L367 HydrophobicContact CE2-CD2 3.49Å; F346-L367 VanDerWaalsContact CE2-CD2 3.49Å; F346-F370 AromaticContact CE2-CD2 3.81Å; F346-F370 HydrophobicContact CE2-CD2 3.81Å; F346-F370 HydrophobicContact CE2-CE2 4.37Å; F346-F370 AromaticContact CZ-CD2 3.7Å; F346-F370 HydrophobicContact CZ-CD2 3.7Å; F346-F370 AromaticContact CZ-CE2 3.82Å; F346-F370 HydrophobicContact CZ-CE2 3.82Å; F346-L375 HydrophobicContact CD1-CD2 4.47Å; F346-L375 HydrophobicContact CE1-CD1 4.06Å; F346-L375 HydrophobicContact CE1-CD2 4.1Å; F346-L375 HydrophobicContact CE1-CG 4.18Å; F346-L386 HydrophobicContact CE2-CD1 4.46Å; F346-L386 HydrophobicContact CE2-CD2 4.34Å; F346-L386 HydrophobicContact CZ-CD1 4.18Å; F346-L386 HydrophobicContact CZ-CD2 3.95Å
347	P	97.6	Very high	96.7	Very high	4 Å²	4	39.5 Å²	39.5	3%	0.026	21%	0.21	C	C	.	.	P	Polyproline II helix	trans	-49.1	127.9	170.5	-30.5	32.7	0	0	0	114.3	L322 L338 F343 Y354 F360	L322-P347 HydrophobicContact CB-CB 4.14Å; L322-P347 HydrophobicContact CD1-CB 3.92Å; L322-P347 HydrophobicContact CD1-CG 3.72Å; L322-P347 HydrophobicContact CG-CB 4.08Å; L322-P347 HydrophobicContact CG-CG 3.97Å; L338-P347 HydrophobicContact CD1-CG 3.7Å; F343-P347 HydrophobicContact CD1-CG 4.47Å; F343-P347 HydrophobicContact CE1-CG 3.96Å; P347-Y354 WeakPolarHBondContact CD-OH 3.35Å; P347-Y354 VanDerWaalsContact N-OH 3.16Å; P347-Y354 PolarHBondContact O-OH 2.73Å; P347-F360 HydrophobicContact CG-CZ 4.49Å
348	I	94.9	Very high	96.7	Very high	94 Å²	94	42.6 Å²	42.6	48%	0.482	22%	0.223	S	C	.	.	P	Polyproline II helix	trans	-68.9	152.8	-178.9	61.4	168.2	0	0	0	113.7	E324 N325 F346 Q353	E324-I348 HydrophobicContact CB-CD1 4.49Å; E324-I348 HydrophobicContact CB-CG1 4.5Å; E324-I348 HydrophobicContact CG-CG1 4.45Å; N325-I348 PolarHBondContact N-O 2.92Å; F346-I348 PolarHBondContact O-N 3.12Å; I348-Q353 PolarHBondContact O-NE2 3.2Å
349	G	94.9	Very high	96.7	Very high	37 Å²	37	45.5 Å²	45.5	38%	0.381	24%	0.236	S	C	.	.			trans	168.1	178.9	173.8	0	0	0	0	0	112.7	N325	N325-G349 WeakPolarHBondContact OD1-CA 3.26Å
350	D	93.8	Very high	96.7	Very high	84 Å²	84	45.3 Å²	45.3	45%	0.449	24%	0.235	S	C	.	.	S	Bend	trans	-69.6	178.7	167.8	73.4	26.7	0	0	0	111.1	N325 T352 Q353	N325-D350 PolarHBondContact OD1-N 3.43Å; N325-D350 PolarHBondContact OD1-OD1 3.05Å; D350-T352 PolarHBondContact O-N 2.95Å; D350-T352 WeakPolarHBondContact OD1-CA 3.17Å; D350-T352 VanDerWaalsContact OD1-CB 3.23Å; D350-T352 WeakPolarHBondContact OD1-CB 3.26Å; D350-T352 PolarHBondContact OD1-N 3.5Å; D350-T352 PolarHBondContact OD1-OG1 3.03Å; D350-Q353 WeakPolarHBondContact O-CB 3.5Å; D350-Q353 PolarHBondContact O-N 3.15Å
351	K	90.2	Very high	96.7	Very high	158 Å²	158	46.8 Å²	46.8	69%	0.687	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-20.6	-177.4	-57.6	-174	175.6	-172	0	113.5	E377	K351-E377 HydrophobicContact CB-CG 3.8Å; K351-E377 VanDerWaalsContact O-CB 3.31Å; K351-E377 WeakPolarHBondContact O-CB 3.21Å; K351-E377 VanDerWaalsContact O-CG 3.32Å; K351-E377 WeakPolarHBondContact O-CG 3.32Å
352	T	92.8	Very high	96.7	Very high	53 Å²	53	46.6 Å²	46.6	33%	0.325	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-7.4	-176.7	80.1	0	0	0	0	113.6	C328 D350 Y354 K355	C328-T352 WeakPolarHBondContact CB-O 3.37Å; D350-T352 PolarHBondContact O-N 2.95Å; D350-T352 WeakPolarHBondContact OD1-CA 3.17Å; D350-T352 VanDerWaalsContact OD1-CB 3.23Å; D350-T352 WeakPolarHBondContact OD1-CB 3.26Å; D350-T352 PolarHBondContact OD1-N 3.5Å; D350-T352 PolarHBondContact OD1-OG1 3.03Å; T352-Y354 PolarHBondContact O-N 2.89Å; T352-K355 VanDerWaalsContact O-CB 3.32Å; T352-K355 WeakPolarHBondContact O-CB 3.25Å; T352-K355 VanDerWaalsContact O-CG 3.26Å; T352-K355 WeakPolarHBondContact O-CG 3.43Å; T352-K355 PolarHBondContact O-N 3.39Å
353	Q	96.5	Very high	96.7	Very high	1 Å²	1	45.8 Å²	45.8	1%	0.005	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-45	-45.9	-176	171.9	60.7	-29.6	0	0	112.5	N325 L327 C328 I348 D350	N325-Q353 PolarHBondContact O-OE1 2.9Å; L327-Q353 CarbonylContact C-O 3.47Å; L327-Q353 VanDerWaalsContact CB-O 3.22Å; L327-Q353 WeakPolarHBondContact CB-O 3.18Å; C328-Q353 PolarHBondContact N-O 3.48Å; C328-Q353 VanDerWaalsContact N-O 3.13Å; I348-Q353 PolarHBondContact O-NE2 3.2Å; D350-Q353 WeakPolarHBondContact O-CB 3.5Å; D350-Q353 PolarHBondContact O-N 3.15Å
354	Y	97.3	Very high	96.8	Very high	9 Å²	9	50.3 Å²	50.3	4%	0.035	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.8	1.9	-175.5	-62.3	-83.5	0	0	0	114.9	L327 F346 P347 T352 N356 V357 F360 Q374 L375 N378	L327-Y354 HydrophobicContact CD1-CD1 4.04Å; L327-Y354 HydrophobicContact CD1-CE1 3.83Å; F346-Y354 WeakPolarHBondContact CB-OH 3.38Å; F346-Y354 HydrophobicContact CD1-CE1 4.31Å; F346-Y354 AromaticContact CD1-CZ 3.94Å; P347-Y354 WeakPolarHBondContact CD-OH 3.35Å; P347-Y354 VanDerWaalsContact N-OH 3.16Å; P347-Y354 PolarHBondContact O-OH 2.73Å; T352-Y354 PolarHBondContact O-N 2.89Å; Y354-N356 PolarHBondContact O-N 3.3Å; Y354-V357 HydrophobicContact CD1-CG2 4.26Å; Y354-V357 WeakPolarHBondContact O-CB 3.38Å; Y354-V357 PolarHBondContact O-N 2.9Å; Y354-F360 HydrophobicContact CE1-CE1 4.36Å; Y354-F360 AromaticContact CE1-CE2 3.99Å; Y354-F360 HydrophobicContact CE1-CE2 3.99Å; Y354-F360 AromaticContact CE1-CZ 3.89Å; Y354-F360 HydrophobicContact CE1-CZ 3.89Å; Y354-Q374 WeakPolarHBondContact CD2-O 3.29Å; Y354-Q374 HydrophobicContact CE2-CB 4.36Å; Y354-L375 HydrophobicContact CD1-CD2 3.72Å; Y354-L375 HydrophobicContact CD2-CD2 4.04Å; Y354-L375 HydrophobicContact CE1-CD2 4.18Å; Y354-L375 HydrophobicContact CE2-CD2 4.47Å; Y354-L375 HydrophobicContact CG-CD2 3.64Å; Y354-N378 PolarHBondContact O-ND2 3.14Å
355	K	95.6	Very high	96.8	Very high	87 Å²	87	45.9 Å²	45.9	38%	0.378	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54	-34.7	-168.1	74.6	-178.6	177.1	-153.8	0	114.3	C328 T352	C328-K355 HydrophobicContact CB-CD 4.29Å; C328-K355 HydrophobicContact CB-CG 4.2Å; C328-K355 WeakPolarHBondContact O-CE 3.33Å; C328-K355 PolarHBondContact O-NZ 3.33Å; T352-K355 VanDerWaalsContact O-CB 3.32Å; T352-K355 WeakPolarHBondContact O-CB 3.25Å; T352-K355 VanDerWaalsContact O-CG 3.26Å; T352-K355 WeakPolarHBondContact O-CG 3.43Å; T352-K355 PolarHBondContact O-N 3.39Å
356	N	96.6	Very high	96.9	Very high	24 Å²	24	50.3 Å²	50.3	13%	0.128	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-5.7	-175.8	-66.8	-19.4	0	0	0	113	C328 L330 S333 L334 Y354 Q380	C328-N356 PolarHBondContact O-ND2 2.87Å; L330-N356 PolarHBondContact O-ND2 2.9Å; S333-N356 CarbonylContact C-O 3.6Å; S333-N356 WeakPolarHBondContact CA-O 3.26Å; S333-N356 PolarHBondContact N-O 2.84Å; S333-N356 VanDerWaalsContact N-O 3.1Å; L334-N356 PolarHBondContact N-O 2.82Å; Y354-N356 PolarHBondContact O-N 3.3Å; N356-Q380 PolarHBondContact O-NE2 3.05Å
357	V	98	Very high	96.9	Very high	1 Å²	1	50.2 Å²	50.2	1%	0.006	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	128.4	-170.3	-178.7	0	0	0	0	111.2	L327 V336 Y354 F360 N378 Q380 L381	L327-V357 HydrophobicContact CB-CG2 4.26Å; L327-V357 HydrophobicContact CD1-CG2 4.21Å; V336-V357 HydrophobicContact CB-CG1 4.5Å; V336-V357 HydrophobicContact CG2-CG1 4.08Å; V336-V357 HydrophobicContact CG2-CG2 3.99Å; Y354-V357 HydrophobicContact CD1-CG2 4.26Å; Y354-V357 WeakPolarHBondContact O-CB 3.38Å; Y354-V357 PolarHBondContact O-N 2.9Å; V357-F360 HydrophobicContact CG1-CB 3.84Å; V357-F360 HydrophobicContact CG1-CD2 4.13Å; V357-F360 HydrophobicContact CG1-CG 4.36Å; V357-N378 PolarHBondContact O-ND2 3.43Å; V357-N378 PolarHBondContact O-OD1 3Å; V357-Q380 WeakPolarHBondContact O-CG 3.34Å; V357-L381 HydrophobicContact CG1-CD1 4.13Å
358	K	98.4	Very high	96.9	Very high	75 Å²	75	56 Å²	56	33%	0.326	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	-39.1	175.4	-179.4	174.1	-179.7	175.7	0	113	S333 L334 T382 T383	S333-K358 WeakPolarHBondContact OG-CD 3.17Å; L334-K358 PolarHBondContact O-N 2.8Å; K358-T382 HydrophobicContact CG-CG2 4.36Å; K358-T382 PolarHBondContact O-N 3.27Å; K358-T382 PolarHBondContact O-OG1 3.04Å; K358-T383 PolarHBondContact O-N 3.46Å
359	H	98.7	Very high	97.1	Very high	61 Å²	61	54.9 Å²	54.9	28%	0.282	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	122.3	175.1	-56.4	-70.6	0	0	0	108.4	L334 V336 T382 T383	L334-H359 PolarHBondContact O-N 3.14Å; V336-H359 PolarHBondContact N-O 3.26Å; H359-T382 PolarHBondContact CE1-OG1 2.91Å; H359-T382 PolarHBondContact ND1-OG1 3.45Å; H359-T383 WeakPolarHBondContact ND1-CB 3.46Å; H359-T383 PolarHBondContact ND1-OG1 3.35Å
360	F	98.7	Very high	97.2	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	114.4	-179.3	-167.2	-119.5	0	0	0	110.1	L327 V336 L338 F346 P347 Y354 V357 L362 L381 T383 L384 N385	L327-F360 HydrophobicContact CD1-CE2 4.38Å; V336-F360 HydrophobicContact CB-CD2 3.83Å; V336-F360 HydrophobicContact CB-CE2 4.29Å; V336-F360 HydrophobicContact CG1-CD2 3.8Å; V336-F360 HydrophobicContact CG1-CE2 3.73Å; L338-F360 HydrophobicContact CD1-CE2 3.79Å; L338-F360 HydrophobicContact CD1-CZ 3.96Å; L338-F360 HydrophobicContact CG-CE2 4.42Å; F346-F360 AromaticContact CD1-CE1 3.73Å; F346-F360 HydrophobicContact CD1-CE1 3.73Å; F346-F360 HydrophobicContact CD1-CZ 4.25Å; F346-F360 HydrophobicContact CE1-CD1 4.02Å; F346-F360 AromaticContact CE1-CE1 3.41Å; F346-F360 HydrophobicContact CE1-CE1 3.41Å; F346-F360 VanDerWaalsContact CE1-CE1 3.41Å; F346-F360 HydrophobicContact CE1-CZ 4.36Å; F346-F360 HydrophobicContact CZ-CE1 4.17Å; P347-F360 HydrophobicContact CG-CZ 4.49Å; Y354-F360 HydrophobicContact CE1-CE1 4.36Å; Y354-F360 AromaticContact CE1-CE2 3.99Å; Y354-F360 HydrophobicContact CE1-CE2 3.99Å; Y354-F360 AromaticContact CE1-CZ 3.89Å; Y354-F360 HydrophobicContact CE1-CZ 3.89Å; V357-F360 HydrophobicContact CG1-CB 3.84Å; V357-F360 HydrophobicContact CG1-CD2 4.13Å; V357-F360 HydrophobicContact CG1-CG 4.36Å; F360-L362 HydrophobicContact CE1-CB 3.95Å; F360-L362 HydrophobicContact CE1-CD2 3.84Å; F360-L362 HydrophobicContact CZ-CB 4.21Å; F360-L362 HydrophobicContact CZ-CD2 3.98Å; F360-L381 HydrophobicContact CB-CD1 3.85Å; F360-T383 PolarHBondContact N-O 3.36Å; F360-L384 HydrophobicContact CB-CD1 4.29Å; F360-L384 HydrophobicContact CD1-CD1 3.62Å; F360-L384 HydrophobicContact CG-CD1 4.44Å; F360-L384 WeakPolarHBondContact O-CA 3.45Å; F360-N385 PolarHBondContact O-N 3.29Å
361	R	98.9	Very high	97.4	Very high	109 Å²	109	52.3 Å²	52.3	41%	0.411	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	115.7	177.2	-65.2	-168.5	176.8	-162	-5.8	109.4	V336 V337 L338 D363 N385	V336-R361 PolarHBondContact O-N 3.06Å; V337-R361 HydrophobicContact CG1-CB 4.39Å; L338-R361 PolarHBondContact N-O 2.75Å; R361-D363 WeakPolarHBondContact CB-OD1 3.44Å; R361-N385 HydrophobicContact CB-CB 4.46Å; R361-N385 HydrophobicContact CG-CB 4.05Å
362	L	98.8	Very high	97.7	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	20%	0.2	C	C	.	.			trans	-129.2	31.3	178.5	-171.9	59.3	0	0	0	109.3	L338 F343 F346 F360 N365 L367 N385 L386 N389	L338-L362 HydrophobicContact CB-CD1 3.71Å; L338-L362 HydrophobicContact CD1-CD1 3.91Å; L338-L362 HydrophobicContact CG-CD1 4.37Å; F343-L362 HydrophobicContact CB-CD1 3.85Å; F343-L362 HydrophobicContact CD1-CD1 4.39Å; F343-L362 HydrophobicContact CD2-CD1 3.96Å; F343-L362 HydrophobicContact CG-CD1 3.82Å; F346-L362 HydrophobicContact CD2-CD2 4.19Å; F346-L362 HydrophobicContact CE2-CD2 4.26Å; F346-L362 HydrophobicContact CG-CD2 4.32Å; F346-L362 HydrophobicContact CZ-CD2 4.48Å; F360-L362 HydrophobicContact CE1-CB 3.95Å; F360-L362 HydrophobicContact CE1-CD2 3.84Å; F360-L362 HydrophobicContact CZ-CB 4.21Å; F360-L362 HydrophobicContact CZ-CD2 3.98Å; L362-N365 PolarHBondContact O-ND2 2.58Å; L362-L367 HydrophobicContact CD1-CD1 4.37Å; L362-L367 HydrophobicContact CD2-CD1 3.78Å; L362-L367 HydrophobicContact CD2-CD2 3.68Å; L362-L367 HydrophobicContact CD2-CG 4.36Å; L362-L367 HydrophobicContact CG-CD1 3.77Å; L362-L367 HydrophobicContact CG-CD2 4.41Å; L362-N385 CarbonylContact C-O 3.52Å; L362-N385 PolarHBondContact N-O 3.03Å; L362-L386 HydrophobicContact CB-CD2 3.82Å; L362-L386 HydrophobicContact CD2-CD2 4.32Å; L362-L386 HydrophobicContact CG-CD2 4.45Å; L362-N389 PolarHBondContact O-ND2 3.22Å
363	D	98.8	Very high	97.8	Very high	17 Å²	17	45.5 Å²	45.5	9%	0.091	20%	0.204	C	C	.	.			trans	-73.2	158.8	178.3	53.6	-61.6	0	0	0	113	S339 H340 R361 N365 N385 C387	S339-D363 CarbonylContact C-O 3.24Å; S339-D363 WeakPolarHBondContact CA-O 3.16Å; S339-D363 WeakPolarHBondContact CB-OD1 3.14Å; S339-D363 WeakPolarHBondContact CB-OD2 3.17Å; S339-D363 VanDerWaalsContact OG-CG 3.26Å; S339-D363 PolarHBondContact OG-OD1 3.23Å; S339-D363 PolarHBondContact OG-OD2 3.07Å; H340-D363 PolarHBondContact N-O 3.18Å; H340-D363 VanDerWaalsContact N-O 3.09Å; R361-D363 WeakPolarHBondContact CB-OD1 3.44Å; D363-N365 PolarHBondContact O-N 2.92Å; D363-N365 PolarHBondContact O-ND2 2.58Å; D363-N385 WeakPolarHBondContact CB-OD1 3.45Å; D363-N385 PolarHBondContact N-O 3.07Å; D363-C387 CarbonylContact C-O 3.42Å; D363-C387 WeakPolarHBondContact CA-O 3.18Å; D363-C387 HydrophobicContact CB-CB 3.9Å; D363-C387 VanDerWaalsContact CB-O 3.22Å; D363-C387 WeakPolarHBondContact CB-O 3.39Å
364	Y	98.8	Very high	97.7	Very high	95 Å²	95	48.3 Å²	48.3	37%	0.373	22%	0.217	S	C	.	.	S	Bend	trans	52.9	51.7	-177.3	-62.2	-85.2	0	0	0	112.9	H340 N341 C387 N388	H340-Y364 VanDerWaalsContact CA-O 3.24Å; H340-Y364 WeakPolarHBondContact CA-O 3.45Å; H340-Y364 AromaticContact CE1-CD1 3.41Å; H340-Y364 VanDerWaalsContact CE1-CD1 3.41Å; H340-Y364 WeakPolarHBondContact CE1-CD1 3.49Å; H340-Y364 AromaticContact CE1-CD2 3.6Å; H340-Y364 AromaticContact CE1-CE1 3.94Å; H340-Y364 AromaticContact CE1-CG 3.22Å; H340-Y364 PolarHBondContact N-O 2.98Å; H340-Y364 WeakPolarHBondContact ND1-CB 3.14Å; H340-Y364 AromaticContact ND1-CD1 3.98Å; H340-Y364 AromaticContact ND1-CG 3.62Å; H340-Y364 AromaticContact NE2-CD2 3.46Å; H340-Y364 WeakPolarHBondContact NE2-CD2 3.09Å; H340-Y364 AromaticContact NE2-CE2 3.87Å; H340-Y364 AromaticContact NE2-CG 3.6Å; N341-Y364 PolarHBondContact N-O 2.76Å; Y364-C387 PolarHBondContact N-O 3.02Å; Y364-N388 VanDerWaalsContact CA-O 3.23Å; Y364-N388 WeakPolarHBondContact CA-O 3.5Å; Y364-N388 HydrophobicContact CD1-CB 3.48Å; Y364-N388 VanDerWaalsContact CD1-CB 3.48Å; Y364-N388 VanDerWaalsContact CD1-CG 3.48Å; Y364-N388 HydrophobicContact CD2-CB 4.26Å; Y364-N388 HydrophobicContact CE1-CB 3.61Å; Y364-N388 WeakPolarHBondContact CE1-ND2 3.36Å; Y364-N388 HydrophobicContact CE2-CB 4.36Å; Y364-N388 HydrophobicContact CG-CB 3.83Å; Y364-N388 PolarHBondContact N-O 2.87Å
365	N	98.8	Very high	97.7	Very high	11 Å²	11	47.9 Å²	47.9	6%	0.059	22%	0.216	C	C	.	.	S	Bend	trans	-126.8	-158.3	176.7	-84.4	-81.8	0	0	0	109.3	L338 N341 D342 F343 L362 D363 L367 N388 N389	L338-N365 PolarHBondContact O-ND2 2.58Å; N341-N365 WeakPolarHBondContact CA-OD1 3.37Å; N341-N365 WeakPolarHBondContact CB-OD1 3.31Å; N341-N365 PolarHBondContact N-OD1 2.96Å; N341-N365 PolarHBondContact O-OD1 3.4Å; N341-N365 VanDerWaalsContact O-OD1 3.07Å; D342-N365 PolarHBondContact N-OD1 2.82Å; F343-N365 HydrophobicContact CB-CB 4.27Å; F343-N365 WeakPolarHBondContact CB-OD1 3.33Å; F343-N365 WeakPolarHBondContact CD2-OD1 3.49Å; F343-N365 PolarHBondContact N-OD1 2.94Å; L362-N365 PolarHBondContact O-ND2 2.58Å; D363-N365 PolarHBondContact O-N 2.92Å; D363-N365 PolarHBondContact O-ND2 2.58Å; N365-L367 HydrophobicContact CB-CD1 3.79Å; N365-N388 PolarHBondContact N-O 3.36Å; N365-N389 WeakPolarHBondContact CA-OD1 3.44Å; N365-N389 WeakPolarHBondContact CB-OD1 3.43Å; N365-N389 PolarHBondContact O-OD1 2.91Å
366	R	98.4	Very high	97.6	Very high	134 Å²	134	45.1 Å²	45.1	51%	0.506	21%	0.207	S	C	.	.			trans	-125.9	25.3	-172.2	-52.8	179.2	-172.3	-179.4	0.7	112.6	D342 F343 E368 N389	D342-R366 VanDerWaalsContact CG-NH2 3.31Å; D342-R366 IonicContact OD1-CZ 3.91Å; D342-R366 IonicContact OD1-NE 3Å; D342-R366 PolarHBondContact OD1-NE 2.98Å; D342-R366 IonicContact OD1-NH2 3.95Å; D342-R366 PolarHBondContact OD1-NH2 3.23Å; D342-R366 IonicContact OD2-NH2 2.94Å; F343-R366 CarbonylContact O-C 3.37Å; F343-R366 WeakPolarHBondContact O-CA 3.45Å; F343-R366 WeakPolarHBondContact O-CB 3.46Å; F343-R366 PolarHBondContact O-N 2.8Å; R366-E368 PolarHBondContact O-N 2.66Å; R366-N389 PolarHBondContact N-OD1 3.11Å
367	L	98.5	Very high	97.5	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	22%	0.224	C	C	.	.			trans	-65.4	133.8	-179.6	-78	78.6	0	0	0	110.7	F343 F346 L362 N365 N389 N390 I391	F343-L367 HydrophobicContact CB-CD1 4.25Å; F346-L367 HydrophobicContact CD2-CD2 3.6Å; F346-L367 HydrophobicContact CE2-CD2 3.49Å; F346-L367 VanDerWaalsContact CE2-CD2 3.49Å; L362-L367 HydrophobicContact CD1-CD1 4.37Å; L362-L367 HydrophobicContact CD2-CD1 3.78Å; L362-L367 HydrophobicContact CD2-CD2 3.68Å; L362-L367 HydrophobicContact CD2-CG 4.36Å; L362-L367 HydrophobicContact CG-CD1 3.77Å; L362-L367 HydrophobicContact CG-CD2 4.41Å; N365-L367 HydrophobicContact CB-CD1 3.79Å; L367-N389 HydrophobicContact CB-CB 4.16Å; L367-N389 WeakPolarHBondContact CD1-OD1 3.44Å; L367-N389 PolarHBondContact N-OD1 3.11Å; L367-N390 CarbonylContact O-C 3.59Å; L367-N390 WeakPolarHBondContact O-CA 3.06Å; L367-N390 WeakPolarHBondContact O-CB 3.22Å; L367-N390 PolarHBondContact O-N 2.83Å; L367-I391 HydrophobicContact CB-CD1 4.45Å; L367-I391 HydrophobicContact CB-CG1 4.02Å; L367-I391 PolarHBondContact O-N 3.49Å
368	E	98	Very high	97.4	Very high	126 Å²	126	49 Å²	49	59%	0.589	23%	0.225	S	C	*	.			trans	-104.9	-17.2	175.2	-65.9	-178.5	-170.5	0	0	113.1	R366 N390 I391 I392	R366-E368 PolarHBondContact O-N 2.66Å; E368-N390 HydrophobicContact CG-CB 4Å; E368-I391 WeakPolarHBondContact O-CA 3.47Å; E368-I392 PolarHBondContact O-N 2.77Å
369	L	97.9	Very high	97.1	Very high	70 Å²	70	50.2 Å²	50.2	37%	0.366	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	138.9	-176.8	175.4	66.3	0	0	0	109.4	E371 T393 D395	L369-E371 HydrophobicContact CD1-CG 4.44Å; L369-E371 HydrophobicContact CD2-CG 3.53Å; L369-E371 HydrophobicContact CG-CG 3.71Å; L369-T393 HydrophobicContact CD1-CG2 3.78Å; L369-D395 HydrophobicContact CD1-CB 4.44Å
370	F	98.2	Very high	97	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	125.2	165.1	168.6	-115.7	0	0	0	109.7	F346 A372 L375 L384 L386 I391 T393 L394 D395 F396 I399	F346-F370 AromaticContact CE2-CD2 3.81Å; F346-F370 HydrophobicContact CE2-CD2 3.81Å; F346-F370 HydrophobicContact CE2-CE2 4.37Å; F346-F370 AromaticContact CZ-CD2 3.7Å; F346-F370 HydrophobicContact CZ-CD2 3.7Å; F346-F370 AromaticContact CZ-CE2 3.82Å; F346-F370 HydrophobicContact CZ-CE2 3.82Å; F370-A372 HydrophobicContact CE1-CB 3.98Å; F370-A372 HydrophobicContact CZ-CB 3.91Å; F370-L375 HydrophobicContact CE2-CD1 4.16Å; F370-L384 HydrophobicContact CE2-CD2 3.85Å; F370-L384 HydrophobicContact CZ-CD2 3.91Å; F370-L386 HydrophobicContact CB-CD1 4.31Å; F370-L386 HydrophobicContact CD2-CD1 3.48Å; F370-L386 VanDerWaalsContact CD2-CD1 3.48Å; F370-L386 HydrophobicContact CE2-CD1 3.99Å; F370-L386 HydrophobicContact CG-CD1 3.98Å; F370-I391 HydrophobicContact CB-CD1 4.38Å; F370-I391 HydrophobicContact CB-CG2 4.35Å; F370-T393 PolarHBondContact N-O 2.77Å; F370-T393 VanDerWaalsContact N-O 3.14Å; F370-L394 HydrophobicContact CB-CD2 3.9Å; F370-L394 HydrophobicContact CD1-CD2 3.99Å; F370-L394 HydrophobicContact CG-CD2 4.36Å; F370-D395 WeakPolarHBondContact O-CA 3.38Å; F370-D395 PolarHBondContact O-N 2.67Å; F370-F396 AromaticContact CD1-CD1 3.85Å; F370-F396 HydrophobicContact CD1-CD1 3.85Å; F370-F396 AromaticContact CD1-CE1 3.58Å; F370-F396 HydrophobicContact CD1-CE1 3.58Å; F370-F396 AromaticContact CE1-CD1 3.67Å; F370-F396 HydrophobicContact CE1-CD1 3.67Å; F370-F396 AromaticContact CE1-CE1 3.46Å; F370-F396 HydrophobicContact CE1-CE1 3.46Å; F370-F396 VanDerWaalsContact CE1-CE1 3.46Å; F370-I399 HydrophobicContact CE1-CD1 4.16Å; F370-I399 HydrophobicContact CZ-CD1 4.18Å
371	E	96.5	Very high	96.9	Very high	67 Å²	67	49.5 Å²	49.5	31%	0.313	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	99.6	178.6	-60.9	179.5	104.5	0	0	110.2	L369 V373 Q374	L369-E371 HydrophobicContact CD1-CG 4.44Å; L369-E371 HydrophobicContact CD2-CG 3.53Å; L369-E371 HydrophobicContact CG-CG 3.71Å; E371-V373 HydrophobicContact CB-CG1 4.33Å; E371-V373 PolarHBondContact O-N 3.28Å; E371-V373 VanDerWaalsContact O-N 3.14Å; E371-Q374 HydrophobicContact CB-CG 4.34Å; E371-Q374 PolarHBondContact O-N 2.94Å; E371-Q374 PolarHBondContact OE2-NE2 3.36Å
372	A	96.8	Very high	96.9	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-60.6	-26.5	-177.1	0	0	0	0	0	113.5	F370 Q374 L375 S376 D395 T397 I399	F370-A372 HydrophobicContact CE1-CB 3.98Å; F370-A372 HydrophobicContact CZ-CB 3.91Å; A372-Q374 PolarHBondContact O-N 3.39Å; A372-Q374 VanDerWaalsContact O-N 3.12Å; A372-L375 PolarHBondContact O-N 3.23Å; A372-S376 PolarHBondContact O-N 2.91Å; A372-D395 WeakPolarHBondContact CB-O 3.47Å; A372-D395 PolarHBondContact N-O 2.87Å; A372-T397 CarbonylContact C-O 3.54Å; A372-I399 HydrophobicContact CB-CB 3.98Å; A372-I399 HydrophobicContact CB-CD1 3.6Å; A372-I399 HydrophobicContact CB-CG1 4.39Å
373	V	95.5	Very high	96.9	Very high	69 Å²	69	46.4 Å²	46.4	42%	0.418	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-57.8	-29.2	-179.2	69.1	0	0	0	0	112.5	E371 L375 S376 T397	E371-V373 HydrophobicContact CB-CG1 4.33Å; E371-V373 PolarHBondContact O-N 3.28Å; E371-V373 VanDerWaalsContact O-N 3.14Å; V373-L375 PolarHBondContact O-N 3.36Å; V373-S376 VanDerWaalsContact O-CB 3.29Å; V373-S376 WeakPolarHBondContact O-CB 3.47Å; V373-S376 PolarHBondContact O-N 2.89Å; V373-S376 VanDerWaalsContact O-N 3.12Å; V373-S376 PolarHBondContact O-OG 3.12Å; V373-T397 WeakPolarHBondContact CA-O 3.48Å; V373-T397 PolarHBondContact N-O 3.12Å
374	Q	94.8	Very high	96.9	Very high	59 Å²	59	45.7 Å²	45.7	28%	0.276	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-64.3	-26.5	176.8	-67.2	172.4	-30.4	0	0	112.3	Y354 E371 A372	Y354-Q374 WeakPolarHBondContact CD2-O 3.29Å; Y354-Q374 HydrophobicContact CE2-CB 4.36Å; E371-Q374 HydrophobicContact CB-CG 4.34Å; E371-Q374 PolarHBondContact O-N 2.94Å; E371-Q374 PolarHBondContact OE2-NE2 3.36Å; A372-Q374 PolarHBondContact O-N 3.39Å; A372-Q374 VanDerWaalsContact O-N 3.12Å
375	L	96.6	Very high	96.9	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.005	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-98.4	1.9	179	-57.1	174.8	0	0	0	112.4	F346 Y354 F370 A372 V373 E377 N378 L381 L384 L402	F346-L375 HydrophobicContact CD1-CD2 4.47Å; F346-L375 HydrophobicContact CE1-CD1 4.06Å; F346-L375 HydrophobicContact CE1-CD2 4.1Å; F346-L375 HydrophobicContact CE1-CG 4.18Å; Y354-L375 HydrophobicContact CD1-CD2 3.72Å; Y354-L375 HydrophobicContact CD2-CD2 4.04Å; Y354-L375 HydrophobicContact CE1-CD2 4.18Å; Y354-L375 HydrophobicContact CE2-CD2 4.47Å; Y354-L375 HydrophobicContact CG-CD2 3.64Å; F370-L375 HydrophobicContact CE2-CD1 4.16Å; A372-L375 PolarHBondContact O-N 3.23Å; V373-L375 PolarHBondContact O-N 3.36Å; L375-E377 VanDerWaalsContact C-N 3.3Å; L375-E377 PolarHBondContact O-N 3.26Å; L375-N378 VanDerWaalsContact O-CB 3.26Å; L375-N378 WeakPolarHBondContact O-CB 3.37Å; L375-N378 PolarHBondContact O-N 2.91Å; L375-L381 HydrophobicContact CD1-CD2 3.91Å; L375-L384 HydrophobicContact CD1-CD1 4.35Å; L375-L384 HydrophobicContact CD1-CD2 3.83Å; L375-L402 HydrophobicContact CB-CD1 4.3Å; L375-L402 HydrophobicContact CB-CD2 3.96Å; L375-L402 HydrophobicContact CD1-CD1 4.33Å; L375-L402 WeakPolarHBondContact O-CD2 3.22Å
376	S	94.1	Very high	96.9	Very high	29 Å²	29	41.3 Å²	41.3	20%	0.203	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-28.5	-166.9	58.6	0	0	0	0	115	A372 V373 N378 T401	A372-S376 PolarHBondContact O-N 2.91Å; V373-S376 VanDerWaalsContact O-CB 3.29Å; V373-S376 WeakPolarHBondContact O-CB 3.47Å; V373-S376 PolarHBondContact O-N 2.89Å; V373-S376 VanDerWaalsContact O-N 3.12Å; V373-S376 PolarHBondContact O-OG 3.12Å; S376-N378 VanDerWaalsContact C-N 3.31Å; S376-T401 VanDerWaalsContact CA-OG1 3.26Å; S376-T401 WeakPolarHBondContact CA-OG1 3.24Å; S376-T401 WeakPolarHBondContact O-CB 3.19Å; S376-T401 WeakPolarHBondContact O-CG2 3.46Å; S376-T401 PolarHBondContact O-OG1 2.76Å
377	E	94.3	Very high	96.9	Very high	103 Å²	103	35.4 Å²	35.4	48%	0.481	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-1.7	175.2	-62.6	-63	156.6	0	0	113.5	K351 L375 T379	K351-E377 HydrophobicContact CB-CG 3.8Å; K351-E377 VanDerWaalsContact O-CB 3.31Å; K351-E377 WeakPolarHBondContact O-CB 3.21Å; K351-E377 VanDerWaalsContact O-CG 3.32Å; K351-E377 WeakPolarHBondContact O-CG 3.32Å; L375-E377 VanDerWaalsContact C-N 3.3Å; L375-E377 PolarHBondContact O-N 3.26Å; E377-T379 PolarHBondContact O-N 3.07Å
378	N	95.9	Very high	97	Very high	3 Å²	3	38.1 Å²	38.1	2%	0.016	20%	0.201	C	C	.	.			trans	-85.3	114.3	179.8	-173.7	-42.2	0	0	0	110.9	Y354 V357 L375 S376 Q380 L381	Y354-N378 PolarHBondContact O-ND2 3.14Å; V357-N378 PolarHBondContact O-ND2 3.43Å; V357-N378 PolarHBondContact O-OD1 3Å; L375-N378 VanDerWaalsContact O-CB 3.26Å; L375-N378 WeakPolarHBondContact O-CB 3.37Å; L375-N378 PolarHBondContact O-N 2.91Å; S376-N378 VanDerWaalsContact C-N 3.31Å; N378-Q380 PolarHBondContact OD1-N 3.49Å; N378-L381 WeakPolarHBondContact OD1-CB 3.38Å; N378-L381 PolarHBondContact OD1-N 3.07Å
379	T	91.6	Very high	97	Very high	100 Å²	100	32.5 Å²	32.5	61%	0.613	18%	0.175	S	C	*	.	S	Bend	trans	-101.9	12.3	179.8	61.5	0	0	0	0	114.1	E377 H404	E377-T379 PolarHBondContact O-N 3.07Å; T379-H404 PolarHBondContact O-CD2 3.31Å
380	Q	96	Very high	97	Very high	45 Å²	45	32.1 Å²	32.1	21%	0.21	17%	0.174	C	C	.	.			trans	-138.3	1.4	-175.1	70.8	-169.8	33.5	0	0	115.3	D332 S333 N356 V357 N378 T382	D332-Q380 PolarHBondContact OD1-NE2 2.87Å; D332-Q380 PolarHBondContact OD1-OE1 3.38Å; S333-Q380 VanDerWaalsContact N-NE2 3.13Å; N356-Q380 PolarHBondContact O-NE2 3.05Å; V357-Q380 WeakPolarHBondContact O-CG 3.34Å; N378-Q380 PolarHBondContact OD1-N 3.49Å; Q380-T382 PolarHBondContact O-N 2.96Å
381	L	98.3	Very high	97.1	Very high	2 Å²	2	32.1 Å²	32.1	1%	0.01	17%	0.174	C	C	.	.			trans	-63.8	115.9	178.3	-171.9	69	0	0	0	109.7	V357 F360 L375 N378 T383 L384 L402 H404 L405	V357-L381 HydrophobicContact CG1-CD1 4.13Å; F360-L381 HydrophobicContact CB-CD1 3.85Å; L375-L381 HydrophobicContact CD1-CD2 3.91Å; N378-L381 WeakPolarHBondContact OD1-CB 3.38Å; N378-L381 PolarHBondContact OD1-N 3.07Å; L381-T383 WeakPolarHBondContact CD1-O 3.41Å; L381-L384 HydrophobicContact CD2-CB 4.35Å; L381-L402 HydrophobicContact CD2-CD1 4.37Å; L381-L402 HydrophobicContact CD2-CD2 4.37Å; L381-H404 CarbonylContact O-C 3.47Å; L381-L405 HydrophobicContact CD2-CD1 4.27Å; L381-L405 HydrophobicContact CG-CD1 4.15Å; L381-L405 VanDerWaalsContact O-CA 3.31Å; L381-L405 WeakPolarHBondContact O-CA 3.19Å; L381-L405 PolarHBondContact O-N 2.78Å
382	T	98.6	Very high	97.1	Very high	31 Å²	31	33 Å²	33	19%	0.19	18%	0.18	C	C	.	.			trans	-105.8	-24.5	177.8	57.6	0	0	0	0	112.8	K358 H359 Q380 H404 V406 E407	K358-T382 HydrophobicContact CG-CG2 4.36Å; K358-T382 PolarHBondContact O-N 3.27Å; K358-T382 PolarHBondContact O-OG1 3.04Å; H359-T382 PolarHBondContact CE1-OG1 2.91Å; H359-T382 PolarHBondContact ND1-OG1 3.45Å; Q380-T382 PolarHBondContact O-N 2.96Å; T382-H404 WeakPolarHBondContact CA-O 3.27Å; T382-V406 PolarHBondContact O-N 3.41Å; T382-E407 PolarHBondContact O-N 3.12Å
383	T	98.8	Very high	97.2	Very high	13 Å²	13	36.8 Å²	36.8	8%	0.08	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	125.9	-177.7	-51.4	0	0	0	0	110.3	K358 H359 F360 L381 E407	K358-T383 PolarHBondContact O-N 3.46Å; H359-T383 WeakPolarHBondContact ND1-CB 3.46Å; H359-T383 PolarHBondContact ND1-OG1 3.35Å; F360-T383 PolarHBondContact N-O 3.36Å; L381-T383 WeakPolarHBondContact CD1-O 3.41Å; T383-E407 WeakPolarHBondContact CA-O 3.25Å; T383-E407 HydrophobicContact CG2-CB 4.17Å; T383-E407 HydrophobicContact CG2-CG 4.21Å
384	L	98.8	Very high	97.3	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.005	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	113	171.8	178.1	56.9	0	0	0	109	F360 F370 L375 L381 L386 L405 E407 L408 D409	F360-L384 HydrophobicContact CB-CD1 4.29Å; F360-L384 HydrophobicContact CD1-CD1 3.62Å; F360-L384 HydrophobicContact CG-CD1 4.44Å; F360-L384 WeakPolarHBondContact O-CA 3.45Å; F370-L384 HydrophobicContact CE2-CD2 3.85Å; F370-L384 HydrophobicContact CZ-CD2 3.91Å; L375-L384 HydrophobicContact CD1-CD1 4.35Å; L375-L384 HydrophobicContact CD1-CD2 3.83Å; L381-L384 HydrophobicContact CD2-CB 4.35Å; L384-L386 HydrophobicContact CD1-CD1 4.42Å; L384-L386 HydrophobicContact CD1-CD2 3.9Å; L384-L386 HydrophobicContact CD1-CG 4.02Å; L384-L386 HydrophobicContact CD2-CD1 4.4Å; L384-L386 HydrophobicContact CG-CD1 4.38Å; L384-L386 HydrophobicContact CG-CG 4.14Å; L384-L405 HydrophobicContact CB-CD1 3.86Å; L384-E407 PolarHBondContact N-O 2.88Å; L384-L408 HydrophobicContact CB-CD1 4.05Å; L384-L408 HydrophobicContact CD2-CD1 3.86Å; L384-L408 HydrophobicContact CG-CD1 3.94Å; L384-L408 WeakPolarHBondContact O-CA 3.47Å; L384-D409 PolarHBondContact O-N 2.84Å
385	N	98.9	Very high	97.5	Very high	14 Å²	14	34.1 Å²	34.1	8%	0.075	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	114.9	176.1	-165.6	-36.4	0	0	0	110.5	F360 R361 L362 D363 C387 D409	F360-N385 PolarHBondContact O-N 3.29Å; R361-N385 HydrophobicContact CB-CB 4.46Å; R361-N385 HydrophobicContact CG-CB 4.05Å; L362-N385 CarbonylContact C-O 3.52Å; L362-N385 PolarHBondContact N-O 3.03Å; D363-N385 WeakPolarHBondContact CB-OD1 3.45Å; D363-N385 PolarHBondContact N-O 3.07Å; N385-C387 WeakPolarHBondContact OD1-CB 3.48Å; N385-C387 PolarHBondContact OD1-N 2.91Å; N385-D409 HydrophobicContact CB-CB 4.32Å; N385-D409 PolarHBondContact ND2-OD2 2.96Å; N385-D409 PolarHBondContact OD1-OD2 2.99Å
386	L	98.9	Very high	97.5	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.19	C	C	.	.			trans	-120.5	23.1	175.6	-53.1	178.8	0	0	0	111.1	F346 L362 F370 L384 N389 I391 D409 L410 N413	F346-L386 HydrophobicContact CE2-CD1 4.46Å; F346-L386 HydrophobicContact CE2-CD2 4.34Å; F346-L386 HydrophobicContact CZ-CD1 4.18Å; F346-L386 HydrophobicContact CZ-CD2 3.95Å; L362-L386 HydrophobicContact CB-CD2 3.82Å; L362-L386 HydrophobicContact CD2-CD2 4.32Å; L362-L386 HydrophobicContact CG-CD2 4.45Å; F370-L386 HydrophobicContact CB-CD1 4.31Å; F370-L386 HydrophobicContact CD2-CD1 3.48Å; F370-L386 VanDerWaalsContact CD2-CD1 3.48Å; F370-L386 HydrophobicContact CE2-CD1 3.99Å; F370-L386 HydrophobicContact CG-CD1 3.98Å; L384-L386 HydrophobicContact CD1-CD1 4.42Å; L384-L386 HydrophobicContact CD1-CD2 3.9Å; L384-L386 HydrophobicContact CD1-CG 4.02Å; L384-L386 HydrophobicContact CD2-CD1 4.4Å; L384-L386 HydrophobicContact CG-CD1 4.38Å; L384-L386 HydrophobicContact CG-CG 4.14Å; L386-N389 PolarHBondContact O-ND2 3.3Å; L386-I391 HydrophobicContact CB-CD1 3.9Å; L386-I391 HydrophobicContact CD1-CD1 4.03Å; L386-D409 PolarHBondContact N-O 3.25Å; L386-L410 HydrophobicContact CB-CD2 4.12Å; L386-L410 HydrophobicContact CD1-CD2 3.93Å; L386-L410 HydrophobicContact CG-CD2 4.44Å; L386-N413 PolarHBondContact O-ND2 3.01Å
387	C	98.8	Very high	97.6	Very high	10 Å²	10	37.3 Å²	37.3	7%	0.068	21%	0.206	C	C	.	.			trans	-53.2	146.9	178.6	178	0	0	0	0	111.5	D363 Y364 N385 N389 D409 S411	D363-C387 CarbonylContact C-O 3.42Å; D363-C387 WeakPolarHBondContact CA-O 3.18Å; D363-C387 HydrophobicContact CB-CB 3.9Å; D363-C387 VanDerWaalsContact CB-O 3.22Å; D363-C387 WeakPolarHBondContact CB-O 3.39Å; Y364-C387 PolarHBondContact N-O 3.02Å; N385-C387 WeakPolarHBondContact OD1-CB 3.48Å; N385-C387 PolarHBondContact OD1-N 2.91Å; C387-N389 PolarHBondContact O-N 3.42Å; C387-N389 PolarHBondContact O-ND2 3.37Å; C387-D409 PolarHBondContact N-O 2.81Å; C387-S411 CarbonylContact C-O 3.55Å; C387-S411 WeakPolarHBondContact CA-O 3.49Å; C387-S411 PolarHBondContact SG-OG 2.88Å
388	N	98.8	Very high	97.7	Very high	58 Å²	58	32.8 Å²	32.8	31%	0.31	19%	0.187	S	C	.	.	S	Bend	trans	59.2	49.9	170.7	-125.8	-79.6	0	0	0	112.7	Y364 N365 S411 Y412	Y364-N388 VanDerWaalsContact CA-O 3.23Å; Y364-N388 WeakPolarHBondContact CA-O 3.5Å; Y364-N388 HydrophobicContact CD1-CB 3.48Å; Y364-N388 VanDerWaalsContact CD1-CB 3.48Å; Y364-N388 VanDerWaalsContact CD1-CG 3.48Å; Y364-N388 HydrophobicContact CD2-CB 4.26Å; Y364-N388 HydrophobicContact CE1-CB 3.61Å; Y364-N388 WeakPolarHBondContact CE1-ND2 3.36Å; Y364-N388 HydrophobicContact CE2-CB 4.36Å; Y364-N388 HydrophobicContact CG-CB 3.83Å; Y364-N388 PolarHBondContact N-O 2.87Å; N365-N388 PolarHBondContact N-O 3.36Å; N388-S411 PolarHBondContact N-O 2.89Å; N388-Y412 VanDerWaalsContact CA-O 3.29Å; N388-Y412 WeakPolarHBondContact CA-O 3.49Å; N388-Y412 PolarHBondContact N-O 3.09Å; N388-Y412 WeakPolarHBondContact ND2-CB 3.15Å
389	N	98.8	Very high	97.7	Very high	7 Å²	7	32.7 Å²	32.7	4%	0.037	19%	0.187	C	C	.	.	S	Bend	trans	-115.6	-171	170.1	-84.3	-78.7	0	0	0	109.7	L362 N365 R366 L367 L386 C387 I391 N413	L362-N389 PolarHBondContact O-ND2 3.22Å; N365-N389 WeakPolarHBondContact CA-OD1 3.44Å; N365-N389 WeakPolarHBondContact CB-OD1 3.43Å; N365-N389 PolarHBondContact O-OD1 2.91Å; R366-N389 PolarHBondContact N-OD1 3.11Å; L367-N389 HydrophobicContact CB-CB 4.16Å; L367-N389 WeakPolarHBondContact CD1-OD1 3.44Å; L367-N389 PolarHBondContact N-OD1 3.11Å; L386-N389 PolarHBondContact O-ND2 3.3Å; C387-N389 PolarHBondContact O-N 3.42Å; C387-N389 PolarHBondContact O-ND2 3.37Å; N389-I391 HydrophobicContact CB-CD1 4.11Å; N389-I391 HydrophobicContact CB-CG1 3.93Å; N389-N413 VanDerWaalsContact CA-OD1 3.29Å; N389-N413 WeakPolarHBondContact CA-OD1 3.24Å; N389-N413 WeakPolarHBondContact CB-OD1 3.39Å; N389-N413 PolarHBondContact N-OD1 3.42Å; N389-N413 PolarHBondContact O-OD1 2.71Å
390	N	98.5	Very high	97.9	Very high	63 Å²	63	32.3 Å²	32.3	34%	0.337	18%	0.178	S	C	.	.			trans	-104.1	23.7	175.8	-63.6	-42.2	0	0	0	112.1	L367 E368 I392	L367-N390 CarbonylContact O-C 3.59Å; L367-N390 WeakPolarHBondContact O-CA 3.06Å; L367-N390 WeakPolarHBondContact O-CB 3.22Å; L367-N390 PolarHBondContact O-N 2.83Å; E368-N390 HydrophobicContact CG-CB 4Å; N390-I392 PolarHBondContact O-N 3.34Å
391	I	98.8	Very high	97.9	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.181	C	C	.	.			trans	-64.8	121.2	-167.9	-62.2	167.3	0	0	0	109.8	L367 E368 F370 L386 N389 T393 L394 N413 Q414 I415	L367-I391 HydrophobicContact CB-CD1 4.45Å; L367-I391 HydrophobicContact CB-CG1 4.02Å; L367-I391 PolarHBondContact O-N 3.49Å; E368-I391 WeakPolarHBondContact O-CA 3.47Å; F370-I391 HydrophobicContact CB-CD1 4.38Å; F370-I391 HydrophobicContact CB-CG2 4.35Å; L386-I391 HydrophobicContact CB-CD1 3.9Å; L386-I391 HydrophobicContact CD1-CD1 4.03Å; N389-I391 HydrophobicContact CB-CD1 4.11Å; N389-I391 HydrophobicContact CB-CG1 3.93Å; I391-T393 WeakPolarHBondContact CG2-O 3.26Å; I391-L394 HydrophobicContact CG2-CD2 3.79Å; I391-N413 HydrophobicContact CB-CB 4.19Å; I391-N413 VanDerWaalsContact CB-OD1 3.29Å; I391-N413 WeakPolarHBondContact CB-OD1 3.05Å; I391-N413 WeakPolarHBondContact CG1-OD1 3.41Å; I391-N413 PolarHBondContact N-OD1 2.97Å; I391-Q414 CarbonylContact O-C 3.48Å; I391-Q414 VanDerWaalsContact O-CA 3.26Å; I391-Q414 WeakPolarHBondContact O-CA 3.46Å; I391-Q414 WeakPolarHBondContact O-CB 3.36Å; I391-Q414 PolarHBondContact O-N 2.87Å; I391-I415 HydrophobicContact CB-CG1 4.47Å; I391-I415 HydrophobicContact CG2-CD1 4.48Å; I391-I415 HydrophobicContact CG2-CG1 4.08Å; I391-I415 PolarHBondContact O-N 3.45Å
392	I	98.5	Very high	97.8	Very high	86 Å²	86	32.4 Å²	32.4	44%	0.441	18%	0.182	S	C	.	.			trans	-101.5	-44.7	174.6	-66.5	157	0	0	0	109.8	E368 N390 Q414	E368-I392 PolarHBondContact O-N 2.77Å; N390-I392 PolarHBondContact O-N 3.34Å; I392-Q414 HydrophobicContact CG1-CB 3.91Å
393	T	97.6	Very high	97.6	Very high	78 Å²	78	37.1 Å²	37.1	48%	0.479	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	136.1	-172.7	-56.6	0	0	0	0	110.6	L369 F370 I391	L369-T393 HydrophobicContact CD1-CG2 3.78Å; F370-T393 PolarHBondContact N-O 2.77Å; F370-T393 VanDerWaalsContact N-O 3.14Å; I391-T393 WeakPolarHBondContact CG2-O 3.26Å
394	L	98.5	Very high	97.5	Very high	15 Å²	15	41.5 Å²	41.5	8%	0.079	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	104.3	172.2	-63.6	-179.4	0	0	0	108.5	F370 I391 F396 L410 I415 L418 P419	F370-L394 HydrophobicContact CB-CD2 3.9Å; F370-L394 HydrophobicContact CD1-CD2 3.99Å; F370-L394 HydrophobicContact CG-CD2 4.36Å; I391-L394 HydrophobicContact CG2-CD2 3.79Å; L394-F396 HydrophobicContact CB-CD1 3.91Å; L394-F396 HydrophobicContact CB-CE1 3.65Å; L394-F396 HydrophobicContact CB-CZ 4.4Å; L394-F396 HydrophobicContact CD1-CE1 3.93Å; L394-F396 HydrophobicContact CD1-CZ 3.96Å; L394-F396 HydrophobicContact CD2-CE1 4.16Å; L394-F396 HydrophobicContact CG-CE1 4.13Å; L394-L410 HydrophobicContact CD1-CD1 4.22Å; L394-L410 HydrophobicContact CD2-CD1 4.34Å; L394-L410 HydrophobicContact CD2-CD2 4.33Å; L394-I415 HydrophobicContact CD1-CD1 4.12Å; L394-I415 HydrophobicContact CD1-CG1 4.39Å; L394-I415 HydrophobicContact CD1-CG2 3.71Å; L394-I415 HydrophobicContact CD2-CD1 3.97Å; L394-I415 HydrophobicContact CD2-CG1 4.23Å; L394-I415 HydrophobicContact CG-CD1 4.27Å; L394-I415 HydrophobicContact CG-CG1 4.23Å; L394-I415 HydrophobicContact CG-CG2 4.08Å; L394-L418 HydrophobicContact CD1-CD1 3.81Å; L394-P419 HydrophobicContact CB-CG 3.93Å; L394-P419 WeakPolarHBondContact O-CG 3.29Å
395	D	98	Very high	97.5	Very high	58 Å²	58	41.5 Å²	41.5	31%	0.31	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	104	167.7	-175.3	-3.7	0	0	0	109	L369 F370 A372 T397	L369-D395 HydrophobicContact CD1-CB 4.44Å; F370-D395 WeakPolarHBondContact O-CA 3.38Å; F370-D395 PolarHBondContact O-N 2.67Å; A372-D395 WeakPolarHBondContact CB-O 3.47Å; A372-D395 PolarHBondContact N-O 2.87Å; D395-T397 VanDerWaalsContact C-N 3.31Å; D395-T397 WeakPolarHBondContact OD1-CB 3.22Å; D395-T397 PolarHBondContact OD1-N 2.83Å; D395-T397 PolarHBondContact OD1-OG1 3.26Å
396	F	97.8	Very high	97.5	Very high	8 Å²	8	43 Å²	43	4%	0.035	23%	0.229	C	C	.	.			trans	-92.3	16.8	-178.7	-81.8	18.2	0	0	0	112.9	F370 L394 G398 I399 L418 P419 I422	F370-F396 AromaticContact CD1-CD1 3.85Å; F370-F396 HydrophobicContact CD1-CD1 3.85Å; F370-F396 AromaticContact CD1-CE1 3.58Å; F370-F396 HydrophobicContact CD1-CE1 3.58Å; F370-F396 AromaticContact CE1-CD1 3.67Å; F370-F396 HydrophobicContact CE1-CD1 3.67Å; F370-F396 AromaticContact CE1-CE1 3.46Å; F370-F396 HydrophobicContact CE1-CE1 3.46Å; F370-F396 VanDerWaalsContact CE1-CE1 3.46Å; L394-F396 HydrophobicContact CB-CD1 3.91Å; L394-F396 HydrophobicContact CB-CE1 3.65Å; L394-F396 HydrophobicContact CB-CZ 4.4Å; L394-F396 HydrophobicContact CD1-CE1 3.93Å; L394-F396 HydrophobicContact CD1-CZ 3.96Å; L394-F396 HydrophobicContact CD2-CE1 4.16Å; L394-F396 HydrophobicContact CG-CE1 4.13Å; F396-G398 PolarHBondContact O-N 3.17Å; F396-I399 HydrophobicContact CB-CB 4.06Å; F396-I399 HydrophobicContact CB-CG2 3.94Å; F396-I399 HydrophobicContact CD2-CG1 4.3Å; F396-I399 HydrophobicContact CD2-CG2 4.31Å; F396-I399 HydrophobicContact CG-CB 4.35Å; F396-I399 HydrophobicContact CG-CG1 4.35Å; F396-I399 HydrophobicContact CG-CG2 4.4Å; F396-I399 VanDerWaalsContact O-CB 3.25Å; F396-I399 WeakPolarHBondContact O-CB 3.34Å; F396-I399 VanDerWaalsContact O-CG2 3.22Å; F396-I399 WeakPolarHBondContact O-CG2 3.46Å; F396-I399 PolarHBondContact O-N 2.93Å; F396-L418 HydrophobicContact CE2-CD1 4.26Å; F396-L418 HydrophobicContact CZ-CD1 4.12Å; F396-P419 HydrophobicContact CB-CB 4.26Å; F396-P419 HydrophobicContact CB-CG 4.33Å; F396-P419 HydrophobicContact CD1-CG 4.25Å; F396-P419 HydrophobicContact CD2-CB 3.91Å; F396-P419 HydrophobicContact CD2-CG 3.98Å; F396-P419 HydrophobicContact CE2-CG 4.35Å; F396-P419 HydrophobicContact CG-CB 4.14Å; F396-P419 HydrophobicContact CG-CG 3.93Å; F396-I422 HydrophobicContact CE2-CB 3.93Å; F396-I422 HydrophobicContact CE2-CD1 3.67Å; F396-I422 HydrophobicContact CE2-CG1 4.39Å; F396-I422 HydrophobicContact CZ-CD1 4.13Å
397	T	96.1	Very high	97.5	Very high	88 Å²	88	46.1 Å²	46.1	54%	0.54	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	120.9	172.7	-58	0	0	0	0	110.2	A372 V373 D395	A372-T397 CarbonylContact C-O 3.54Å; V373-T397 WeakPolarHBondContact CA-O 3.48Å; V373-T397 PolarHBondContact N-O 3.12Å; D395-T397 VanDerWaalsContact C-N 3.31Å; D395-T397 WeakPolarHBondContact OD1-CB 3.22Å; D395-T397 PolarHBondContact OD1-N 2.83Å; D395-T397 PolarHBondContact OD1-OG1 3.26Å
398	G	95.2	Very high	97.5	Very high	9 Å²	9	45.7 Å²	45.7	9%	0.093	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.8	4.2	-177.8	0	0	0	0	0	115.1	F396 E400 T401	F396-G398 PolarHBondContact O-N 3.17Å; G398-E400 WeakPolarHBondContact CA-OE2 3.16Å; G398-E400 PolarHBondContact N-OE2 2.88Å; G398-E400 PolarHBondContact O-N 3Å; G398-T401 PolarHBondContact O-N 2.99Å; G398-T401 PolarHBondContact O-OG1 2.98Å; G398-T401 VanDerWaalsContact O-OG1 3.12Å
399	I	97	Very high	97.5	Very high	1 Å²	1	44 Å²	44	1%	0.005	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-62.4	-25.5	-180	-160.4	73.8	0	0	0	112.7	F370 A372 F396 T401 L402 S421 E424 L425	F370-I399 HydrophobicContact CE1-CD1 4.16Å; F370-I399 HydrophobicContact CZ-CD1 4.18Å; A372-I399 HydrophobicContact CB-CB 3.98Å; A372-I399 HydrophobicContact CB-CD1 3.6Å; A372-I399 HydrophobicContact CB-CG1 4.39Å; F396-I399 HydrophobicContact CB-CB 4.06Å; F396-I399 HydrophobicContact CB-CG2 3.94Å; F396-I399 HydrophobicContact CD2-CG1 4.3Å; F396-I399 HydrophobicContact CD2-CG2 4.31Å; F396-I399 HydrophobicContact CG-CB 4.35Å; F396-I399 HydrophobicContact CG-CG1 4.35Å; F396-I399 HydrophobicContact CG-CG2 4.4Å; F396-I399 VanDerWaalsContact O-CB 3.25Å; F396-I399 WeakPolarHBondContact O-CB 3.34Å; F396-I399 VanDerWaalsContact O-CG2 3.22Å; F396-I399 WeakPolarHBondContact O-CG2 3.46Å; F396-I399 PolarHBondContact O-N 2.93Å; I399-T401 PolarHBondContact O-N 2.96Å; I399-T401 VanDerWaalsContact O-N 3.12Å; I399-L402 HydrophobicContact CD1-CD1 3.7Å; I399-L402 WeakPolarHBondContact O-CB 3.23Å; I399-L402 PolarHBondContact O-N 3.02Å; I399-S421 WeakPolarHBondContact CG2-O 3.27Å; I399-E424 HydrophobicContact CG2-CB 4.41Å; I399-L425 HydrophobicContact CD1-CD2 4.31Å; I399-L425 HydrophobicContact CG1-CD1 4.31Å; I399-L425 HydrophobicContact CG1-CD2 3.79Å; I399-L425 HydrophobicContact CG1-CG 4.07Å
400	E	95.3	Very high	97.5	Very high	91 Å²	91	43.6 Å²	43.6	43%	0.425	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-64.6	-14.7	-178.2	71.7	-76.7	177.7	0	0	114	G398 K403 E424	G398-E400 WeakPolarHBondContact CA-OE2 3.16Å; G398-E400 PolarHBondContact N-OE2 2.88Å; G398-E400 PolarHBondContact O-N 3Å; E400-K403 VanDerWaalsContact O-CE 3.26Å; E400-K403 WeakPolarHBondContact O-CE 3.45Å; E400-K403 WeakPolarHBondContact O-CG 3.49Å; E400-E424 HydrophobicContact CB-CB 3.99Å; E400-E424 HydrophobicContact CB-CG 4.19Å
401	T	95.4	Very high	97.5	Very high	47 Å²	47	40.8 Å²	40.8	29%	0.288	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	-80.8	-21	175.5	73.2	0	0	0	0	112.4	S376 G398 I399 K403	S376-T401 VanDerWaalsContact CA-OG1 3.26Å; S376-T401 WeakPolarHBondContact CA-OG1 3.24Å; S376-T401 WeakPolarHBondContact O-CB 3.19Å; S376-T401 WeakPolarHBondContact O-CG2 3.46Å; S376-T401 PolarHBondContact O-OG1 2.76Å; G398-T401 PolarHBondContact O-N 2.99Å; G398-T401 PolarHBondContact O-OG1 2.98Å; G398-T401 VanDerWaalsContact O-OG1 3.12Å; I399-T401 PolarHBondContact O-N 2.96Å; I399-T401 VanDerWaalsContact O-N 3.12Å; T401-K403 PolarHBondContact O-N 2.85Å
402	L	96.5	Very high	97.5	Very high	3 Å²	3	46.6 Å²	46.6	2%	0.016	24%	0.237	C	C	.	.			trans	-77.9	47.6	-178.3	-56.2	-172.2	0	0	0	112.9	L375 L381 I399 H404 L405 L425	L375-L402 HydrophobicContact CB-CD1 4.3Å; L375-L402 HydrophobicContact CB-CD2 3.96Å; L375-L402 HydrophobicContact CD1-CD1 4.33Å; L375-L402 WeakPolarHBondContact O-CD2 3.22Å; L381-L402 HydrophobicContact CD2-CD1 4.37Å; L381-L402 HydrophobicContact CD2-CD2 4.37Å; I399-L402 HydrophobicContact CD1-CD1 3.7Å; I399-L402 WeakPolarHBondContact O-CB 3.23Å; I399-L402 PolarHBondContact O-N 3.02Å; L402-H404 PolarHBondContact O-N 3.09Å; L402-L405 HydrophobicContact CB-CB 4.25Å; L402-L405 HydrophobicContact CD1-CD2 4.3Å; L402-L405 WeakPolarHBondContact O-CB 3.49Å; L402-L405 PolarHBondContact O-N 3.1Å; L402-L405 VanDerWaalsContact O-N 3.07Å; L402-L425 HydrophobicContact CB-CD2 3.91Å
403	K	93.7	Very high	97.5	Very high	129 Å²	129	43 Å²	43	56%	0.561	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-9.9	-174.2	-62.4	-177.2	-179.1	177.4	0	114.4	E400 T401 S427	E400-K403 VanDerWaalsContact O-CE 3.26Å; E400-K403 WeakPolarHBondContact O-CE 3.45Å; E400-K403 WeakPolarHBondContact O-CG 3.49Å; T401-K403 PolarHBondContact O-N 2.85Å; K403-S427 WeakPolarHBondContact O-CB 3.2Å; K403-S427 PolarHBondContact O-OG 2.98Å
404	H	97.3	Very high	97.6	Very high	105 Å²	105	42 Å²	42	49%	0.486	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.6	1.1	178.8	-64.7	-72.9	0	0	0	113.2	T379 L381 T382 L402 V406	T379-H404 PolarHBondContact O-CD2 3.31Å; L381-H404 CarbonylContact O-C 3.47Å; T382-H404 WeakPolarHBondContact CA-O 3.27Å; L402-H404 PolarHBondContact O-N 3.09Å; H404-V406 WeakPolarHBondContact O-CG2 3.2Å; H404-V406 PolarHBondContact O-N 3.02Å
405	L	98.6	Very high	97.6	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.005	20%	0.204	C	C	.	.			trans	-67.8	120	179.7	-169.2	62.7	0	0	0	109.9	L381 L384 L402 E407 L408 L425 S427 L428	L381-L405 HydrophobicContact CD2-CD1 4.27Å; L381-L405 HydrophobicContact CG-CD1 4.15Å; L381-L405 VanDerWaalsContact O-CA 3.31Å; L381-L405 WeakPolarHBondContact O-CA 3.19Å; L381-L405 PolarHBondContact O-N 2.78Å; L384-L405 HydrophobicContact CB-CD1 3.86Å; L402-L405 HydrophobicContact CB-CB 4.25Å; L402-L405 HydrophobicContact CD1-CD2 4.3Å; L402-L405 WeakPolarHBondContact O-CB 3.49Å; L402-L405 PolarHBondContact O-N 3.1Å; L402-L405 VanDerWaalsContact O-N 3.07Å; L405-E407 WeakPolarHBondContact CD1-O 3.4Å; L405-L408 HydrophobicContact CD2-CB 4.29Å; L405-L425 HydrophobicContact CB-CD2 4.32Å; L405-L425 HydrophobicContact CD2-CD1 3.98Å; L405-L425 HydrophobicContact CD2-CD2 4.02Å; L405-S427 CarbonylContact O-C 3.5Å; L405-L428 HydrophobicContact CD2-CD1 4.4Å; L405-L428 HydrophobicContact CG-CD1 4.02Å; L405-L428 WeakPolarHBondContact O-CA 3.19Å; L405-L428 PolarHBondContact O-N 2.76Å
406	V	98.8	Very high	97.6	Very high	47 Å²	47	39.9 Å²	39.9	29%	0.285	20%	0.204	S	C	.	.			trans	-105.1	-37.5	-177.5	175.9	0	0	0	0	110.7	T382 H404 E429 V430	T382-V406 PolarHBondContact O-N 3.41Å; H404-V406 WeakPolarHBondContact O-CG2 3.2Å; H404-V406 PolarHBondContact O-N 3.02Å; V406-E429 HydrophobicContact CG1-CB 3.83Å; V406-E429 HydrophobicContact CG1-CG 3.89Å; V406-E429 PolarHBondContact O-N 3.4Å; V406-V430 PolarHBondContact O-N 3.02Å
407	E	98.9	Very high	97.6	Very high	65 Å²	65	47 Å²	47	30%	0.304	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	122.3	-177.1	-178.6	-177.8	165.7	0	0	110.3	T382 T383 L384 L405 V430	T382-E407 PolarHBondContact O-N 3.12Å; T383-E407 WeakPolarHBondContact CA-O 3.25Å; T383-E407 HydrophobicContact CG2-CB 4.17Å; T383-E407 HydrophobicContact CG2-CG 4.21Å; L384-E407 PolarHBondContact N-O 2.88Å; L405-E407 WeakPolarHBondContact CD1-O 3.4Å; E407-V430 WeakPolarHBondContact CA-O 3.15Å; E407-V430 HydrophobicContact CB-CB 4.42Å; E407-V430 HydrophobicContact CG-CB 4.21Å; E407-V430 HydrophobicContact CG-CG1 4.38Å
408	L	98.9	Very high	97.7	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.005	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	113.3	173.4	177.3	57.3	0	0	0	109.2	L384 L405 L410 I422 L425 L428 V430 L431 D432	L384-L408 HydrophobicContact CB-CD1 4.05Å; L384-L408 HydrophobicContact CD2-CD1 3.86Å; L384-L408 HydrophobicContact CG-CD1 3.94Å; L384-L408 WeakPolarHBondContact O-CA 3.47Å; L405-L408 HydrophobicContact CD2-CB 4.29Å; L408-L410 HydrophobicContact CD1-CD1 4.29Å; L408-L410 HydrophobicContact CD1-CD2 4.22Å; L408-L410 HydrophobicContact CD1-CG 3.94Å; L408-L410 HydrophobicContact CD2-CD1 3.98Å; L408-L410 HydrophobicContact CD2-CG 4.46Å; L408-L410 HydrophobicContact CG-CD1 4.07Å; L408-L410 HydrophobicContact CG-CG 4.02Å; L408-I422 HydrophobicContact CD2-CD1 4.2Å; L408-L425 HydrophobicContact CD2-CD1 3.92Å; L408-L428 HydrophobicContact CB-CD1 3.78Å; L408-L428 HydrophobicContact CB-CD2 4.34Å; L408-V430 PolarHBondContact N-O 3.07Å; L408-L431 HydrophobicContact CB-CD1 4.11Å; L408-L431 HydrophobicContact CD2-CD1 3.97Å; L408-L431 HydrophobicContact CG-CD1 4.02Å; L408-L431 WeakPolarHBondContact O-CA 3.46Å; L408-D432 PolarHBondContact O-N 2.92Å
409	D	98.9	Very high	97.8	Very high	21 Å²	21	44.6 Å²	44.6	11%	0.112	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	111.8	176.3	-177	-2.7	0	0	0	109.7	L384 N385 L386 C387 S411 D432	L384-D409 PolarHBondContact O-N 2.84Å; N385-D409 HydrophobicContact CB-CB 4.32Å; N385-D409 PolarHBondContact ND2-OD2 2.96Å; N385-D409 PolarHBondContact OD1-OD2 2.99Å; L386-D409 PolarHBondContact N-O 3.25Å; C387-D409 PolarHBondContact N-O 2.81Å; D409-S411 VanDerWaalsContact OD1-CB 3.23Å; D409-S411 WeakPolarHBondContact OD1-CB 3.49Å; D409-S411 PolarHBondContact OD1-N 3.11Å; D409-S411 PolarHBondContact OD1-OG 3.08Å; D409-D432 HydrophobicContact CB-CB 4.45Å
410	L	98.9	Very high	97.9	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.245	C	C	.	.			trans	-117.5	17.2	177.1	-67.8	171.5	0	0	0	110.7	L386 L394 L408 N413 I415 D432 L433 N436	L386-L410 HydrophobicContact CB-CD2 4.12Å; L386-L410 HydrophobicContact CD1-CD2 3.93Å; L386-L410 HydrophobicContact CG-CD2 4.44Å; L394-L410 HydrophobicContact CD1-CD1 4.22Å; L394-L410 HydrophobicContact CD2-CD1 4.34Å; L394-L410 HydrophobicContact CD2-CD2 4.33Å; L408-L410 HydrophobicContact CD1-CD1 4.29Å; L408-L410 HydrophobicContact CD1-CD2 4.22Å; L408-L410 HydrophobicContact CD1-CG 3.94Å; L408-L410 HydrophobicContact CD2-CD1 3.98Å; L408-L410 HydrophobicContact CD2-CG 4.46Å; L408-L410 HydrophobicContact CG-CD1 4.07Å; L408-L410 HydrophobicContact CG-CG 4.02Å; L410-N413 PolarHBondContact O-ND2 3.49Å; L410-I415 HydrophobicContact CB-CD1 3.87Å; L410-I415 HydrophobicContact CD1-CD1 4.33Å; L410-I415 HydrophobicContact CD2-CD1 4.47Å; L410-I415 HydrophobicContact CG-CD1 4.46Å; L410-D432 CarbonylContact C-O 3.58Å; L410-D432 WeakPolarHBondContact CA-O 3.22Å; L410-D432 PolarHBondContact N-O 3.02Å; L410-L433 HydrophobicContact CB-CD2 3.91Å; L410-L433 HydrophobicContact CD1-CD2 3.97Å; L410-N436 PolarHBondContact O-ND2 2.89Å
411	S	98.9	Very high	98	Very high	4 Å²	4	47.2 Å²	47.2	3%	0.028	24%	0.242	C	C	.	.			trans	-66.6	157.1	-175.4	64.6	0	0	0	0	112.7	C387 N388 D409 N413 D432 T434	C387-S411 CarbonylContact C-O 3.55Å; C387-S411 WeakPolarHBondContact CA-O 3.49Å; C387-S411 PolarHBondContact SG-OG 2.88Å; N388-S411 PolarHBondContact N-O 2.89Å; D409-S411 VanDerWaalsContact OD1-CB 3.23Å; D409-S411 WeakPolarHBondContact OD1-CB 3.49Å; D409-S411 PolarHBondContact OD1-N 3.11Å; D409-S411 PolarHBondContact OD1-OG 3.08Å; S411-N413 PolarHBondContact O-N 3.22Å; S411-N413 PolarHBondContact O-ND2 3.16Å; S411-D432 WeakPolarHBondContact CB-OD1 3.21Å; S411-D432 PolarHBondContact N-O 2.98Å; S411-T434 CarbonylContact C-O 3.59Å; S411-T434 WeakPolarHBondContact CA-O 3.47Å; S411-T434 WeakPolarHBondContact CB-O 3.36Å
412	Y	98.9	Very high	98.1	Very high	121 Å²	121	45 Å²	45	48%	0.475	23%	0.228	S	C	.	.	S	Bend	trans	54.8	50.5	-179.9	-61.2	-83.8	0	0	0	113.3	N388 T434 S435	N388-Y412 VanDerWaalsContact CA-O 3.29Å; N388-Y412 WeakPolarHBondContact CA-O 3.49Å; N388-Y412 PolarHBondContact N-O 3.09Å; N388-Y412 WeakPolarHBondContact ND2-CB 3.15Å; Y412-T434 PolarHBondContact N-O 3.14Å; Y412-S435 WeakPolarHBondContact CA-O 3.16Å; Y412-S435 VanDerWaalsContact CD1-CB 3.47Å; Y412-S435 WeakPolarHBondContact CE1-OG 3.22Å
413	N	98.8	Very high	98.2	Very high	12 Å²	12	44.9 Å²	44.9	6%	0.064	23%	0.228	C	C	.	.	S	Bend	trans	-121.6	-164.4	174.6	-83.5	-73.5	0	0	0	110.4	L386 N389 I391 L410 S411 I415 S435 N436	L386-N413 PolarHBondContact O-ND2 3.01Å; N389-N413 VanDerWaalsContact CA-OD1 3.29Å; N389-N413 WeakPolarHBondContact CA-OD1 3.24Å; N389-N413 WeakPolarHBondContact CB-OD1 3.39Å; N389-N413 PolarHBondContact N-OD1 3.42Å; N389-N413 PolarHBondContact O-OD1 2.71Å; I391-N413 HydrophobicContact CB-CB 4.19Å; I391-N413 VanDerWaalsContact CB-OD1 3.29Å; I391-N413 WeakPolarHBondContact CB-OD1 3.05Å; I391-N413 WeakPolarHBondContact CG1-OD1 3.41Å; I391-N413 PolarHBondContact N-OD1 2.97Å; L410-N413 PolarHBondContact O-ND2 3.49Å; S411-N413 PolarHBondContact O-N 3.22Å; S411-N413 PolarHBondContact O-ND2 3.16Å; N413-I415 HydrophobicContact CB-CD1 3.97Å; N413-I415 HydrophobicContact CB-CG1 4.05Å; N413-S435 PolarHBondContact N-O 2.87Å; N413-N436 WeakPolarHBondContact CA-OD1 3.43Å; N413-N436 WeakPolarHBondContact CB-OD1 3.28Å; N413-N436 PolarHBondContact O-OD1 2.84Å
414	Q	98.6	Very high	98.4	Very high	55 Å²	55	42.3 Å²	42.3	26%	0.257	22%	0.218	S	C	.	.			trans	-118.8	24.4	-179.8	-55.8	-173.8	52.2	0	0	112.1	I391 I392 G416 N436	I391-Q414 CarbonylContact O-C 3.48Å; I391-Q414 VanDerWaalsContact O-CA 3.26Å; I391-Q414 WeakPolarHBondContact O-CA 3.46Å; I391-Q414 WeakPolarHBondContact O-CB 3.36Å; I391-Q414 PolarHBondContact O-N 2.87Å; I392-Q414 HydrophobicContact CG1-CB 3.91Å; Q414-G416 PolarHBondContact O-N 2.96Å; Q414-N436 PolarHBondContact N-OD1 2.93Å
415	I	98.8	Very high	98.4	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.195	C	C	.	.			trans	-67.3	121.2	-171.4	-61	159.5	0	0	0	109.9	I391 L394 L410 N413 Q417 N436 R437 L438	I391-I415 HydrophobicContact CB-CG1 4.47Å; I391-I415 HydrophobicContact CG2-CD1 4.48Å; I391-I415 HydrophobicContact CG2-CG1 4.08Å; I391-I415 PolarHBondContact O-N 3.45Å; L394-I415 HydrophobicContact CD1-CD1 4.12Å; L394-I415 HydrophobicContact CD1-CG1 4.39Å; L394-I415 HydrophobicContact CD1-CG2 3.71Å; L394-I415 HydrophobicContact CD2-CD1 3.97Å; L394-I415 HydrophobicContact CD2-CG1 4.23Å; L394-I415 HydrophobicContact CG-CD1 4.27Å; L394-I415 HydrophobicContact CG-CG1 4.23Å; L394-I415 HydrophobicContact CG-CG2 4.08Å; L410-I415 HydrophobicContact CB-CD1 3.87Å; L410-I415 HydrophobicContact CD1-CD1 4.33Å; L410-I415 HydrophobicContact CD2-CD1 4.47Å; L410-I415 HydrophobicContact CG-CD1 4.46Å; N413-I415 HydrophobicContact CB-CD1 3.97Å; N413-I415 HydrophobicContact CB-CG1 4.05Å; I415-Q417 VanDerWaalsContact CG2-O 3.27Å; I415-Q417 WeakPolarHBondContact CG2-O 3.33Å; I415-N436 HydrophobicContact CB-CB 4.36Å; I415-N436 WeakPolarHBondContact CB-OD1 3.49Å; I415-N436 WeakPolarHBondContact CG1-OD1 3.27Å; I415-N436 PolarHBondContact N-OD1 3.44Å; I415-R437 CarbonylContact O-C 3.53Å; I415-R437 VanDerWaalsContact O-C 3.29Å; I415-R437 VanDerWaalsContact O-CA 3.29Å; I415-R437 WeakPolarHBondContact O-CA 3.25Å; I415-R437 WeakPolarHBondContact O-CB 3.17Å; I415-R437 PolarHBondContact O-N 3.28Å; I415-L438 HydrophobicContact CG2-CD2 3.96Å; I415-L438 PolarHBondContact O-N 2.81Å
416	G	98.2	Very high	98.3	Very high	29 Å²	29	40.5 Å²	40.5	30%	0.299	21%	0.214	S	C	.	.			trans	-87	-32.6	178.2	0	0	0	0	0	114.1	Q414	Q414-G416 PolarHBondContact O-N 2.96Å
417	Q	97.9	Very high	98.3	Very high	158 Å²	158	39 Å²	39	74%	0.738	21%	0.206	S	C	*	.			trans	-145.1	146.6	-177.8	-65.4	-177.3	0.6	0	0	110.8	I415	I415-Q417 VanDerWaalsContact CG2-O 3.27Å; I415-Q417 WeakPolarHBondContact CG2-O 3.33Å
418	L	98.3	Very high	98.3	Very high	11 Å²	11	35.9 Å²	35.9	6%	0.058	19%	0.191	C	C	.	.			trans	-100.2	122.4	173.4	-173.5	66.3	0	0	0	108.9	L394 F396 I422 L433 L438 L441 P442 I445	L394-L418 HydrophobicContact CD1-CD1 3.81Å; F396-L418 HydrophobicContact CE2-CD1 4.26Å; F396-L418 HydrophobicContact CZ-CD1 4.12Å; L418-I422 HydrophobicContact CD1-CB 4.45Å; L418-I422 HydrophobicContact CD1-CD1 4.22Å; L418-I422 HydrophobicContact CD1-CG1 4.39Å; L418-I422 HydrophobicContact CD2-CB 4.23Å; L418-I422 HydrophobicContact CD2-CG1 4.03Å; L418-I422 HydrophobicContact CD2-CG2 4.05Å; L418-I422 HydrophobicContact CG-CB 4.13Å; L418-I422 HydrophobicContact CG-CG1 4.32Å; L418-I422 HydrophobicContact CG-CG2 4.19Å; L418-L433 HydrophobicContact CD1-CD2 4.42Å; L418-L433 HydrophobicContact CD2-CD1 3.93Å; L418-L438 HydrophobicContact CB-CD2 4.24Å; L418-L441 HydrophobicContact CD2-CD2 4.23Å; L418-P442 HydrophobicContact CB-CG 4.37Å; L418-P442 HydrophobicContact CD2-CG 4.29Å; L418-P442 HydrophobicContact CG-CG 4.34Å; L418-I445 HydrophobicContact CD2-CD1 4.22Å
419	P	98	Very high	98.3	Very high	35 Å²	35	39.9 Å²	39.9	23%	0.227	21%	0.21	C	C	.	.			trans	-61.4	148.9	-179.7	-24.3	33.9	0	0	0	113.3	L394 F396 S421 I422	L394-P419 HydrophobicContact CB-CG 3.93Å; L394-P419 WeakPolarHBondContact O-CG 3.29Å; F396-P419 HydrophobicContact CB-CB 4.26Å; F396-P419 HydrophobicContact CB-CG 4.33Å; F396-P419 HydrophobicContact CD1-CG 4.25Å; F396-P419 HydrophobicContact CD2-CB 3.91Å; F396-P419 HydrophobicContact CD2-CG 3.98Å; F396-P419 HydrophobicContact CE2-CG 4.35Å; F396-P419 HydrophobicContact CG-CB 4.14Å; F396-P419 HydrophobicContact CG-CG 3.93Å; P419-S421 PolarHBondContact O-N 2.9Å; P419-I422 WeakPolarHBondContact O-CB 3.35Å; P419-I422 VanDerWaalsContact O-CG2 3.28Å; P419-I422 WeakPolarHBondContact O-CG2 3.11Å; P419-I422 PolarHBondContact O-N 3.37Å
420	D	98.1	Very high	98.3	Very high	95 Å²	95	40.8 Å²	40.8	51%	0.508	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-55.9	-33.5	175.5	-90.7	-20.8	0	0	0	112.5	I422 G423 P442 R444	D420-I422 PolarHBondContact O-N 3.18Å; D420-G423 PolarHBondContact O-N 2.93Å; D420-G423 VanDerWaalsContact O-N 3.14Å; D420-P442 WeakPolarHBondContact OD1-CB 3.49Å; D420-R444 VanDerWaalsContact O-CB 3.28Å; D420-R444 WeakPolarHBondContact O-CB 3.46Å; D420-R444 WeakPolarHBondContact O-CD 3.28Å
421	S	97.7	Very high	98.3	Very high	52 Å²	52	40.8 Å²	40.8	36%	0.364	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-61.8	-6.6	177.2	-49.1	0	0	0	0	114.3	I399 P419 G423 E424	I399-S421 WeakPolarHBondContact CG2-O 3.27Å; P419-S421 PolarHBondContact O-N 2.9Å; S421-G423 PolarHBondContact O-N 2.88Å; S421-E424 WeakPolarHBondContact O-CB 3.22Å; S421-E424 WeakPolarHBondContact O-CG 3.23Å; S421-E424 PolarHBondContact O-N 2.99Å; S421-E424 VanDerWaalsContact O-N 3.11Å
422	I	98.2	Very high	98.3	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-54.1	-32.6	168.3	-168.8	69.2	0	0	0	111.5	F396 L408 L418 P419 D420 E424 L425 L431 P442 I445 L448	F396-I422 HydrophobicContact CE2-CB 3.93Å; F396-I422 HydrophobicContact CE2-CD1 3.67Å; F396-I422 HydrophobicContact CE2-CG1 4.39Å; F396-I422 HydrophobicContact CZ-CD1 4.13Å; L408-I422 HydrophobicContact CD2-CD1 4.2Å; L418-I422 HydrophobicContact CD1-CB 4.45Å; L418-I422 HydrophobicContact CD1-CD1 4.22Å; L418-I422 HydrophobicContact CD1-CG1 4.39Å; L418-I422 HydrophobicContact CD2-CB 4.23Å; L418-I422 HydrophobicContact CD2-CG1 4.03Å; L418-I422 HydrophobicContact CD2-CG2 4.05Å; L418-I422 HydrophobicContact CG-CB 4.13Å; L418-I422 HydrophobicContact CG-CG1 4.32Å; L418-I422 HydrophobicContact CG-CG2 4.19Å; P419-I422 WeakPolarHBondContact O-CB 3.35Å; P419-I422 VanDerWaalsContact O-CG2 3.28Å; P419-I422 WeakPolarHBondContact O-CG2 3.11Å; P419-I422 PolarHBondContact O-N 3.37Å; D420-I422 PolarHBondContact O-N 3.18Å; I422-E424 PolarHBondContact O-N 3.38Å; I422-E424 VanDerWaalsContact O-N 3.11Å; I422-L425 HydrophobicContact CD1-CD1 3.73Å; I422-L425 PolarHBondContact O-N 2.81Å; I422-L425 VanDerWaalsContact O-N 3.11Å; I422-L431 HydrophobicContact CG1-CD2 4.5Å; I422-P442 HydrophobicContact CG2-CG 3.73Å; I422-I445 HydrophobicContact CG2-CD1 4.44Å; I422-L448 HydrophobicContact CG1-CD1 4.24Å; I422-L448 WeakPolarHBondContact O-CD2 3.43Å
423	G	97.8	Very high	98.3	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.01	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-60.3	-20	179.2	0	0	0	0	0	114.5	D420 S421 L425 R444	D420-G423 PolarHBondContact O-N 2.93Å; D420-G423 VanDerWaalsContact O-N 3.14Å; S421-G423 PolarHBondContact O-N 2.88Å; G423-L425 VanDerWaalsContact C-N 3.26Å; G423-L425 PolarHBondContact O-N 2.82Å; G423-R444 WeakPolarHBondContact CA-O 3.5Å
424	E	97.4	Very high	98.3	Very high	75 Å²	75	36.4 Å²	36.4	35%	0.35	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-73.1	-16.5	178.5	-55.5	-61.9	149.1	0	0	112.8	I399 E400 S421 I422 V426 R444	I399-E424 HydrophobicContact CG2-CB 4.41Å; E400-E424 HydrophobicContact CB-CB 3.99Å; E400-E424 HydrophobicContact CB-CG 4.19Å; S421-E424 WeakPolarHBondContact O-CB 3.22Å; S421-E424 WeakPolarHBondContact O-CG 3.23Å; S421-E424 PolarHBondContact O-N 2.99Å; S421-E424 VanDerWaalsContact O-N 3.11Å; I422-E424 PolarHBondContact O-N 3.38Å; I422-E424 VanDerWaalsContact O-N 3.11Å; E424-V426 PolarHBondContact O-N 3.27Å; E424-R444 IonicContact OE1-NH1 2.71Å; E424-R444 PolarHBondContact OE1-NH1 3.14Å
425	L	98	Very high	98.3	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.199	C	C	.	.			trans	-79	55.4	177.4	-64	-179	0	0	0	112.6	I399 L402 L405 L408 I422 G423 S427 L428 L448	I399-L425 HydrophobicContact CD1-CD2 4.31Å; I399-L425 HydrophobicContact CG1-CD1 4.31Å; I399-L425 HydrophobicContact CG1-CD2 3.79Å; I399-L425 HydrophobicContact CG1-CG 4.07Å; L402-L425 HydrophobicContact CB-CD2 3.91Å; L405-L425 HydrophobicContact CB-CD2 4.32Å; L405-L425 HydrophobicContact CD2-CD1 3.98Å; L405-L425 HydrophobicContact CD2-CD2 4.02Å; L408-L425 HydrophobicContact CD2-CD1 3.92Å; I422-L425 HydrophobicContact CD1-CD1 3.73Å; I422-L425 PolarHBondContact O-N 2.81Å; I422-L425 VanDerWaalsContact O-N 3.11Å; G423-L425 VanDerWaalsContact C-N 3.26Å; G423-L425 PolarHBondContact O-N 2.82Å; L425-S427 PolarHBondContact O-N 2.62Å; L425-L428 HydrophobicContact CB-CB 4.2Å; L425-L428 HydrophobicContact CD1-CD2 4.32Å; L425-L428 WeakPolarHBondContact O-CB 3.29Å; L425-L428 PolarHBondContact O-N 3.17Å; L425-L448 HydrophobicContact CB-CD2 4.07Å; L425-L448 VanDerWaalsContact O-CD2 3.26Å; L425-L448 WeakPolarHBondContact O-CD2 3.34Å
426	V	96.3	Very high	98.3	Very high	69 Å²	69	35.8 Å²	35.8	42%	0.418	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-13.2	-171.6	-61.8	0	0	0	0	115.6	E424	E424-V426 PolarHBondContact O-N 3.27Å
427	S	98.2	Very high	98.3	Very high	15 Å²	15	40.3 Å²	40.3	11%	0.105	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-5.3	175	-71.3	0	0	0	0	114.5	K403 L405 L425 E429 R450	K403-S427 WeakPolarHBondContact O-CB 3.2Å; K403-S427 PolarHBondContact O-OG 2.98Å; L405-S427 CarbonylContact O-C 3.5Å; L425-S427 PolarHBondContact O-N 2.62Å; S427-E429 PolarHBondContact O-N 2.98Å; S427-R450 PolarHBondContact OG-NH1 3.08Å; S427-R450 VanDerWaalsContact OG-NH1 3.12Å
428	L	98.7	Very high	98.3	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.175	C	C	.	.			trans	-67	127.7	-172.5	-157.7	72.1	0	0	0	111.3	L405 L408 L425 L431 L448 R450 L451	L405-L428 HydrophobicContact CD2-CD1 4.4Å; L405-L428 HydrophobicContact CG-CD1 4.02Å; L405-L428 WeakPolarHBondContact O-CA 3.19Å; L405-L428 PolarHBondContact O-N 2.76Å; L408-L428 HydrophobicContact CB-CD1 3.78Å; L408-L428 HydrophobicContact CB-CD2 4.34Å; L425-L428 HydrophobicContact CB-CB 4.2Å; L425-L428 HydrophobicContact CD1-CD2 4.32Å; L425-L428 WeakPolarHBondContact O-CB 3.29Å; L425-L428 PolarHBondContact O-N 3.17Å; L428-L431 HydrophobicContact CD2-CB 3.84Å; L428-L431 HydrophobicContact CD2-CD1 4.15Å; L428-L431 HydrophobicContact CD2-CD2 4.33Å; L428-L431 HydrophobicContact CD2-CG 4.33Å; L428-L448 HydrophobicContact CB-CD2 4.35Å; L428-L448 HydrophobicContact CD2-CD1 4.15Å; L428-R450 CarbonylContact O-C 3.11Å; L428-R450 VanDerWaalsContact O-C 3.3Å; L428-L451 HydrophobicContact CB-CD1 4.34Å; L428-L451 HydrophobicContact CD2-CD1 4.16Å; L428-L451 HydrophobicContact CG-CD1 4.12Å; L428-L451 WeakPolarHBondContact O-CA 3.45Å; L428-L451 PolarHBondContact O-N 3.38Å; L428-L451 VanDerWaalsContact O-N 3.17Å
429	E	98.9	Very high	98.3	Very high	85 Å²	85	38.2 Å²	38.2	40%	0.397	20%	0.2	S	C	.	.			trans	-108.8	-30.7	177.1	-64.9	-176.5	-168.2	0	0	111.6	V406 S427 R450 V452 Q453	V406-E429 HydrophobicContact CG1-CB 3.83Å; V406-E429 HydrophobicContact CG1-CG 3.89Å; V406-E429 PolarHBondContact O-N 3.4Å; S427-E429 PolarHBondContact O-N 2.98Å; E429-R450 HydrophobicContact CG-CB 4.5Å; E429-V452 HydrophobicContact CB-CG2 4.28Å; E429-V452 WeakPolarHBondContact O-CA 3.32Å; E429-V452 PolarHBondContact O-N 2.99Å; E429-Q453 PolarHBondContact O-N 3.37Å
430	V	98.9	Very high	98.3	Very high	39 Å²	39	37.8 Å²	37.8	24%	0.236	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	122.3	-179.7	-176.3	0	0	0	0	109.8	V406 E407 L408 Q453	V406-V430 PolarHBondContact O-N 3.02Å; E407-V430 WeakPolarHBondContact CA-O 3.15Å; E407-V430 HydrophobicContact CB-CB 4.42Å; E407-V430 HydrophobicContact CG-CB 4.21Å; E407-V430 HydrophobicContact CG-CG1 4.38Å; L408-V430 PolarHBondContact N-O 3.07Å; V430-Q453 HydrophobicContact CG1-CB 4.42Å; V430-Q453 HydrophobicContact CG2-CB 4.37Å
431	L	98.9	Very high	98.4	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	115	172	179.6	58.1	0	0	0	109.4	L408 I422 L428 L433 I445 L448 L451 Q453 L454 E455	L408-L431 HydrophobicContact CB-CD1 4.11Å; L408-L431 HydrophobicContact CD2-CD1 3.97Å; L408-L431 HydrophobicContact CG-CD1 4.02Å; L408-L431 WeakPolarHBondContact O-CA 3.46Å; I422-L431 HydrophobicContact CG1-CD2 4.5Å; L428-L431 HydrophobicContact CD2-CB 3.84Å; L428-L431 HydrophobicContact CD2-CD1 4.15Å; L428-L431 HydrophobicContact CD2-CD2 4.33Å; L428-L431 HydrophobicContact CD2-CG 4.33Å; L431-L433 HydrophobicContact CD1-CD1 4.23Å; L431-L433 HydrophobicContact CD1-CG 4.09Å; L431-L433 HydrophobicContact CD2-CD1 3.81Å; L431-L433 HydrophobicContact CG-CD1 3.88Å; L431-L433 HydrophobicContact CG-CG 4.08Å; L431-I445 HydrophobicContact CD2-CD1 3.97Å; L431-L448 HydrophobicContact CD2-CD1 4.22Å; L431-L451 HydrophobicContact CB-CD1 3.92Å; L431-Q453 PolarHBondContact N-O 3Å; L431-L454 HydrophobicContact CB-CD1 4.04Å; L431-L454 HydrophobicContact CD2-CD1 3.91Å; L431-L454 HydrophobicContact CG-CD1 4.03Å; L431-E455 PolarHBondContact O-N 3.14Å
432	D	98.9	Very high	98.4	Very high	35 Å²	35	32.5 Å²	32.5	19%	0.187	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	118	174.5	-160.4	-23.1	0	0	0	111.3	L408 D409 L410 S411 T434 E455	L408-D432 PolarHBondContact O-N 2.92Å; D409-D432 HydrophobicContact CB-CB 4.45Å; L410-D432 CarbonylContact C-O 3.58Å; L410-D432 WeakPolarHBondContact CA-O 3.22Å; L410-D432 PolarHBondContact N-O 3.02Å; S411-D432 WeakPolarHBondContact CB-OD1 3.21Å; S411-D432 PolarHBondContact N-O 2.98Å; D432-T434 WeakPolarHBondContact OD1-CB 3.4Å; D432-T434 PolarHBondContact OD1-N 3.19Å; D432-T434 PolarHBondContact OD1-OG1 2.97Å; D432-E455 HydrophobicContact CB-CB 4.27Å; D432-E455 WeakPolarHBondContact OD1-CB 3.48Å
433	L	98.9	Very high	98.4	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.195	C	C	.	.			trans	-124.4	17.2	179.4	-70.4	163.1	0	0	0	110.9	L410 L418 L431 N436 L438 E455 L456 N459	L410-L433 HydrophobicContact CB-CD2 3.91Å; L410-L433 HydrophobicContact CD1-CD2 3.97Å; L418-L433 HydrophobicContact CD1-CD2 4.42Å; L418-L433 HydrophobicContact CD2-CD1 3.93Å; L431-L433 HydrophobicContact CD1-CD1 4.23Å; L431-L433 HydrophobicContact CD1-CG 4.09Å; L431-L433 HydrophobicContact CD2-CD1 3.81Å; L431-L433 HydrophobicContact CG-CD1 3.88Å; L431-L433 HydrophobicContact CG-CG 4.08Å; L433-N436 PolarHBondContact O-ND2 3.18Å; L433-L438 HydrophobicContact CB-CD1 3.94Å; L433-L438 HydrophobicContact CD1-CD1 4.02Å; L433-L438 HydrophobicContact CD2-CD1 4.28Å; L433-L438 HydrophobicContact CG-CD1 4.32Å; L433-E455 WeakPolarHBondContact CA-O 3.23Å; L433-E455 PolarHBondContact N-O 3.11Å; L433-L456 HydrophobicContact CB-CD2 3.86Å; L433-L456 HydrophobicContact CD1-CD2 3.78Å; L433-L456 HydrophobicContact CG-CD2 4.48Å; L433-N459 PolarHBondContact O-ND2 3.11Å
434	T	98.9	Very high	98.4	Very high	10 Å²	10	41.6 Å²	41.6	6%	0.061	21%	0.212	C	C	.	.			trans	-54.8	142.9	-178.9	-61.2	0	0	0	0	111.6	S411 Y412 D432 N436 E455 E457	S411-T434 CarbonylContact C-O 3.59Å; S411-T434 WeakPolarHBondContact CA-O 3.47Å; S411-T434 WeakPolarHBondContact CB-O 3.36Å; Y412-T434 PolarHBondContact N-O 3.14Å; D432-T434 WeakPolarHBondContact OD1-CB 3.4Å; D432-T434 PolarHBondContact OD1-N 3.19Å; D432-T434 PolarHBondContact OD1-OG1 2.97Å; T434-N436 PolarHBondContact O-ND2 2.93Å; T434-E455 WeakPolarHBondContact OG1-CB 3.45Å; T434-E457 CarbonylContact C-O 3.29Å; T434-E457 VanDerWaalsContact CA-O 3.28Å; T434-E457 WeakPolarHBondContact CA-O 3.35Å; T434-E457 HydrophobicContact CG2-CB 3.96Å; T434-E457 HydrophobicContact CG2-CG 4.36Å
435	S	98.9	Very high	98.5	Very high	31 Å²	31	38 Å²	38	22%	0.217	20%	0.195	C	C	.	.	S	Bend	trans	55.9	58.2	176.1	-61.1	0	0	0	0	113.2	Y412 N413 E457 S458	Y412-S435 WeakPolarHBondContact CA-O 3.16Å; Y412-S435 VanDerWaalsContact CD1-CB 3.47Å; Y412-S435 WeakPolarHBondContact CE1-OG 3.22Å; N413-S435 PolarHBondContact N-O 2.87Å; S435-E457 PolarHBondContact N-O 3.05Å; S435-S458 VanDerWaalsContact CA-O 3.27Å; S435-S458 WeakPolarHBondContact CA-O 3.45Å
436	N	98.9	Very high	98.5	Very high	11 Å²	11	38.1 Å²	38.1	6%	0.059	20%	0.196	C	C	.	.	S	Bend	trans	-123.3	-166.6	172.1	-86.3	-71.4	0	0	0	110.3	L410 N413 Q414 I415 L433 T434 L438 S458 N459	L410-N436 PolarHBondContact O-ND2 2.89Å; N413-N436 WeakPolarHBondContact CA-OD1 3.43Å; N413-N436 WeakPolarHBondContact CB-OD1 3.28Å; N413-N436 PolarHBondContact O-OD1 2.84Å; Q414-N436 PolarHBondContact N-OD1 2.93Å; I415-N436 HydrophobicContact CB-CB 4.36Å; I415-N436 WeakPolarHBondContact CB-OD1 3.49Å; I415-N436 WeakPolarHBondContact CG1-OD1 3.27Å; I415-N436 PolarHBondContact N-OD1 3.44Å; L433-N436 PolarHBondContact O-ND2 3.18Å; T434-N436 PolarHBondContact O-ND2 2.93Å; N436-L438 HydrophobicContact CB-CG 4.31Å; N436-S458 PolarHBondContact N-O 3Å; N436-N459 VanDerWaalsContact CA-OD1 3.31Å; N436-N459 WeakPolarHBondContact CA-OD1 3.23Å; N436-N459 WeakPolarHBondContact CB-OD1 3.46Å; N436-N459 PolarHBondContact N-OD1 3.01Å; N436-N459 PolarHBondContact O-OD1 3.31Å
437	R	98.5	Very high	98.6	Very high	125 Å²	125	38.3 Å²	38.3	47%	0.472	19%	0.192	S	C	.	.			trans	-112	20.1	179.6	-61.4	-176.6	-177.6	163.3	8.8	112.8	I415 E439 N459 Q460	I415-R437 CarbonylContact O-C 3.53Å; I415-R437 VanDerWaalsContact O-C 3.29Å; I415-R437 VanDerWaalsContact O-CA 3.29Å; I415-R437 WeakPolarHBondContact O-CA 3.25Å; I415-R437 WeakPolarHBondContact O-CB 3.17Å; I415-R437 PolarHBondContact O-N 3.28Å; R437-E439 PolarHBondContact O-N 2.96Å; R437-N459 PolarHBondContact N-OD1 3.14Å; R437-Q460 PolarHBondContact O-NE2 3.44Å
438	L	98.7	Very high	98.6	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.187	C	C	.	.			trans	-61.8	127.5	-174	-64.4	170.8	0	0	0	111.8	I415 L418 L433 N436 L456 N459 Q460 I461	I415-L438 HydrophobicContact CG2-CD2 3.96Å; I415-L438 PolarHBondContact O-N 2.81Å; L418-L438 HydrophobicContact CB-CD2 4.24Å; L433-L438 HydrophobicContact CB-CD1 3.94Å; L433-L438 HydrophobicContact CD1-CD1 4.02Å; L433-L438 HydrophobicContact CD2-CD1 4.28Å; L433-L438 HydrophobicContact CG-CD1 4.32Å; N436-L438 HydrophobicContact CB-CG 4.31Å; L438-L456 HydrophobicContact CD1-CD2 4.09Å; L438-N459 HydrophobicContact CB-CB 4.28Å; L438-N459 WeakPolarHBondContact CB-OD1 3.37Å; L438-N459 PolarHBondContact N-OD1 3.35Å; L438-Q460 CarbonylContact O-C 3.59Å; L438-Q460 WeakPolarHBondContact O-CA 3.39Å; L438-Q460 WeakPolarHBondContact O-CB 3.42Å; L438-Q460 PolarHBondContact O-N 3.45Å; L438-I461 HydrophobicContact CB-CG1 4.25Å; L438-I461 WeakPolarHBondContact O-CG1 3.48Å; L438-I461 PolarHBondContact O-N 3.23Å; L438-I461 VanDerWaalsContact O-N 3.12Å
439	E	98.2	Very high	98.5	Very high	124 Å²	124	41.4 Å²	41.4	58%	0.579	21%	0.211	S	C	*	.	S	Bend	trans	-91	-17.1	174.5	-62.8	-173.9	175.5	0	0	113.2	R437 Q460 I461 T462	R437-E439 PolarHBondContact O-N 2.96Å; E439-Q460 HydrophobicContact CG-CB 4.37Å; E439-I461 WeakPolarHBondContact O-CA 3.4Å; E439-T462 PolarHBondContact O-N 3.11Å
440	G	98	Very high	98.5	Very high	27 Å²	27	43.9 Å²	43.9	28%	0.278	22%	0.216	S	C	.	.			trans	-173	-179.2	-178.1	0	0	0	0	0	111.5
441	L	98.6	Very high	98.5	Very high	19 Å²	19	42 Å²	42	10%	0.099	21%	0.205	C	C	.	.			trans	-118.3	147.7	174.4	-63.2	174.4	0	0	0	110.2	L418 I445 L456 I464 P465	L418-L441 HydrophobicContact CD2-CD2 4.23Å; L441-I445 HydrophobicContact CB-CG2 4.41Å; L441-I445 HydrophobicContact CD1-CG1 4.41Å; L441-L456 HydrophobicContact CD1-CD1 3.73Å; L441-L456 HydrophobicContact CD1-CD2 4.49Å; L441-L456 HydrophobicContact CD2-CD2 3.82Å; L441-I464 HydrophobicContact CD1-CD1 4.18Å; L441-P465 HydrophobicContact CB-CG 4.17Å
442	P	98.2	Very high	98.5	Very high	16 Å²	16	43.9 Å²	43.9	10%	0.104	22%	0.216	C	C	.	.			trans	-63.3	151.4	170.4	26.9	-34.4	0	0	0	111.2	L418 D420 I422 R444 I445	L418-P442 HydrophobicContact CB-CG 4.37Å; L418-P442 HydrophobicContact CD2-CG 4.29Å; L418-P442 HydrophobicContact CG-CG 4.34Å; D420-P442 WeakPolarHBondContact OD1-CB 3.49Å; I422-P442 HydrophobicContact CG2-CG 3.73Å; P442-R444 PolarHBondContact O-N 2.93Å; P442-I445 WeakPolarHBondContact O-CB 3.29Å; P442-I445 WeakPolarHBondContact O-CG2 3.37Å; P442-I445 PolarHBondContact O-N 2.99Å; P442-I445 VanDerWaalsContact O-N 3.12Å
443	N	98.5	Very high	98.5	Very high	98 Å²	98	45.5 Å²	45.5	52%	0.524	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	-62.3	-30.5	176.7	-70.9	-25.4	0	0	0	111.8	I445 G446 P465 N467	N443-I445 PolarHBondContact O-N 2.85Å; N443-I445 VanDerWaalsContact O-N 3.12Å; N443-G446 PolarHBondContact O-N 3.35Å; N443-P465 WeakPolarHBondContact OD1-CB 3.33Å; N443-N467 WeakPolarHBondContact O-CB 3.12Å; N443-N467 VanDerWaalsContact O-CG 3.28Å
444	R	98.3	Very high	98.5	Very high	94 Å²	94	45.5 Å²	45.5	36%	0.355	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	-66.1	-7	177.1	-72.7	-165.3	168.7	-129.2	17.7	114.7	D420 G423 E424 P442 G446 E447	D420-R444 VanDerWaalsContact O-CB 3.28Å; D420-R444 WeakPolarHBondContact O-CB 3.46Å; D420-R444 WeakPolarHBondContact O-CD 3.28Å; G423-R444 WeakPolarHBondContact CA-O 3.5Å; E424-R444 IonicContact OE1-NH1 2.71Å; E424-R444 PolarHBondContact OE1-NH1 3.14Å; P442-R444 PolarHBondContact O-N 2.93Å; R444-G446 PolarHBondContact O-N 2.61Å; R444-G446 VanDerWaalsContact O-N 3.11Å; R444-E447 IonicContact CZ-OE1 3.81Å; R444-E447 IonicContact CZ-OE2 2.71Å; R444-E447 IonicContact NE-OE1 3.76Å; R444-E447 IonicContact NH1-OE1 3.97Å; R444-E447 IonicContact NH1-OE2 3.92Å; R444-E447 PolarHBondContact NH1-OE2 2.95Å; R444-E447 WeakPolarHBondContact O-CB 2.9Å; R444-E447 PolarHBondContact O-N 3.02Å
445	I	98.6	Very high	98.5	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-54.4	-30.6	168.9	-162.6	71.3	0	0	0	111.7	L418 I422 L431 L441 P442 N443 E447 L448 P465 L471	L418-I445 HydrophobicContact CD2-CD1 4.22Å; I422-I445 HydrophobicContact CG2-CD1 4.44Å; L431-I445 HydrophobicContact CD2-CD1 3.97Å; L441-I445 HydrophobicContact CB-CG2 4.41Å; L441-I445 HydrophobicContact CD1-CG1 4.41Å; P442-I445 WeakPolarHBondContact O-CB 3.29Å; P442-I445 WeakPolarHBondContact O-CG2 3.37Å; P442-I445 PolarHBondContact O-N 2.99Å; P442-I445 VanDerWaalsContact O-N 3.12Å; N443-I445 PolarHBondContact O-N 2.85Å; N443-I445 VanDerWaalsContact O-N 3.12Å; I445-E447 PolarHBondContact O-N 2.66Å; I445-L448 HydrophobicContact CD1-CD1 3.63Å; I445-L448 HydrophobicContact CG1-CD1 4.42Å; I445-L448 WeakPolarHBondContact O-CB 3.32Å; I445-L448 PolarHBondContact O-N 3.04Å; I445-P465 HydrophobicContact CG2-CG 3.94Å; I445-L471 WeakPolarHBondContact O-CD2 3.34Å
446	G	98.3	Very high	98.5	Very high	2 Å²	2	44.6 Å²	44.6	2%	0.021	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-67.8	-11.8	177.4	0	0	0	0	0	115	N443 R444 L448 N467 Q470	N443-G446 PolarHBondContact O-N 3.35Å; R444-G446 PolarHBondContact O-N 2.61Å; R444-G446 VanDerWaalsContact O-N 3.11Å; G446-L448 VanDerWaalsContact C-N 3.28Å; G446-N467 WeakPolarHBondContact CA-O 3.4Å; G446-Q470 VanDerWaalsContact O-CB 3.28Å; G446-Q470 WeakPolarHBondContact O-CB 3.37Å
447	E	98.2	Very high	98.5	Very high	74 Å²	74	46.9 Å²	46.9	35%	0.346	23%	0.225	S	C	.	.	G	3₁₀ helix	trans	-77.4	-14.7	176.3	-62.1	176.9	-178.8	0	0	112.2	R444 I445 V449	R444-E447 IonicContact CZ-OE1 3.81Å; R444-E447 IonicContact CZ-OE2 2.71Å; R444-E447 IonicContact NE-OE1 3.76Å; R444-E447 IonicContact NH1-OE1 3.97Å; R444-E447 IonicContact NH1-OE2 3.92Å; R444-E447 PolarHBondContact NH1-OE2 2.95Å; R444-E447 WeakPolarHBondContact O-CB 2.9Å; R444-E447 PolarHBondContact O-N 3.02Å; I445-E447 PolarHBondContact O-N 2.66Å; E447-V449 PolarHBondContact O-N 3.25Å
448	L	98.4	Very high	98.5	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.216	C	C	.	.			trans	-75.5	56.1	176.2	-55.9	-177.8	0	0	0	112.2	I422 L425 L428 L431 I445 G446 R450 L451 L471	I422-L448 HydrophobicContact CG1-CD1 4.24Å; I422-L448 WeakPolarHBondContact O-CD2 3.43Å; L425-L448 HydrophobicContact CB-CD2 4.07Å; L425-L448 VanDerWaalsContact O-CD2 3.26Å; L425-L448 WeakPolarHBondContact O-CD2 3.34Å; L428-L448 HydrophobicContact CB-CD2 4.35Å; L428-L448 HydrophobicContact CD2-CD1 4.15Å; L431-L448 HydrophobicContact CD2-CD1 4.22Å; I445-L448 HydrophobicContact CD1-CD1 3.63Å; I445-L448 HydrophobicContact CG1-CD1 4.42Å; I445-L448 WeakPolarHBondContact O-CB 3.32Å; I445-L448 PolarHBondContact O-N 3.04Å; G446-L448 VanDerWaalsContact C-N 3.28Å; L448-R450 PolarHBondContact O-N 3.2Å; L448-L451 HydrophobicContact CB-CB 4.07Å; L448-L451 HydrophobicContact CB-CD2 4.46Å; L448-L451 HydrophobicContact CD1-CD1 4.37Å; L448-L451 HydrophobicContact CD1-CD2 4.21Å; L448-L451 WeakPolarHBondContact O-CB 3.39Å; L448-L451 PolarHBondContact O-N 2.98Å; L448-L471 HydrophobicContact CB-CD2 3.99Å; L448-L471 WeakPolarHBondContact O-CD2 3.42Å
449	V	97.7	Very high	98.5	Very high	80 Å²	80	43.4 Å²	43.4	49%	0.485	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-13.3	-169.7	-63.5	0	0	0	0	115	E447 Q473	E447-V449 PolarHBondContact O-N 3.25Å; V449-Q473 VanDerWaalsContact O-CG 3.27Å; V449-Q473 WeakPolarHBondContact O-CG 3.44Å
450	R	98.4	Very high	98.5	Very high	136 Å²	136	40.7 Å²	40.7	51%	0.513	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-5.2	173.8	-68.2	-171	-179.6	160.6	1.5	114.1	S427 L428 E429 L448 V452	S427-R450 PolarHBondContact OG-NH1 3.08Å; S427-R450 VanDerWaalsContact OG-NH1 3.12Å; L428-R450 CarbonylContact O-C 3.11Å; L428-R450 VanDerWaalsContact O-C 3.3Å; E429-R450 HydrophobicContact CG-CB 4.5Å; L448-R450 PolarHBondContact O-N 3.2Å; R450-V452 WeakPolarHBondContact O-CG2 3.34Å; R450-V452 PolarHBondContact O-N 3.06Å
451	L	98.8	Very high	98.6	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.192	C	C	.	.			trans	-61.4	123.4	-174.8	-156.3	71.8	0	0	0	110.9	L428 L431 L448 L454 L471 Q473 L474	L428-L451 HydrophobicContact CB-CD1 4.34Å; L428-L451 HydrophobicContact CD2-CD1 4.16Å; L428-L451 HydrophobicContact CG-CD1 4.12Å; L428-L451 WeakPolarHBondContact O-CA 3.45Å; L428-L451 PolarHBondContact O-N 3.38Å; L428-L451 VanDerWaalsContact O-N 3.17Å; L431-L451 HydrophobicContact CB-CD1 3.92Å; L448-L451 HydrophobicContact CB-CB 4.07Å; L448-L451 HydrophobicContact CB-CD2 4.46Å; L448-L451 HydrophobicContact CD1-CD1 4.37Å; L448-L451 HydrophobicContact CD1-CD2 4.21Å; L448-L451 WeakPolarHBondContact O-CB 3.39Å; L448-L451 PolarHBondContact O-N 2.98Å; L451-L454 HydrophobicContact CD2-CB 3.84Å; L451-L454 HydrophobicContact CD2-CD1 4.21Å; L451-L454 HydrophobicContact CD2-CD2 4.16Å; L451-L454 HydrophobicContact CD2-CG 4.29Å; L451-L471 HydrophobicContact CB-CD2 4.24Å; L451-L471 HydrophobicContact CD2-CD1 4.02Å; L451-Q473 CarbonylContact O-C 3.18Å; L451-Q473 VanDerWaalsContact O-C 3.26Å; L451-L474 HydrophobicContact CB-CD1 4.27Å; L451-L474 HydrophobicContact CD2-CD1 4.11Å; L451-L474 HydrophobicContact CG-CD1 4.06Å; L451-L474 WeakPolarHBondContact O-CA 3.47Å; L451-L474 PolarHBondContact O-N 3.43Å; L451-L474 VanDerWaalsContact O-N 3.09Å
452	V	98.9	Very high	98.6	Very high	40 Å²	40	42 Å²	42	24%	0.242	21%	0.21	C	C	.	.			trans	-102.3	-35.4	179.7	177.8	0	0	0	0	110.6	E429 R450 Q475 T476	E429-V452 HydrophobicContact CB-CG2 4.28Å; E429-V452 WeakPolarHBondContact O-CA 3.32Å; E429-V452 PolarHBondContact O-N 2.99Å; R450-V452 WeakPolarHBondContact O-CG2 3.34Å; R450-V452 PolarHBondContact O-N 3.06Å; V452-Q475 HydrophobicContact CG1-CB 4.04Å; V452-Q475 HydrophobicContact CG1-CG 3.93Å; V452-Q475 PolarHBondContact O-N 3.38Å; V452-T476 PolarHBondContact O-N 2.79Å; V452-T476 VanDerWaalsContact O-N 3.1Å
453	Q	98.9	Very high	98.6	Very high	69 Å²	69	43.9 Å²	43.9	32%	0.322	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	126.3	-177.7	-179.8	169.4	-18.6	0	0	110.9	E429 V430 L431 E455 T476	E429-Q453 PolarHBondContact O-N 3.37Å; V430-Q453 HydrophobicContact CG1-CB 4.42Å; V430-Q453 HydrophobicContact CG2-CB 4.37Å; L431-Q453 PolarHBondContact N-O 3Å; Q453-E455 HydrophobicContact CG-CG 4.06Å; Q453-E455 WeakPolarHBondContact CG-OE1 3.31Å; Q453-E455 PolarHBondContact NE2-OE1 3Å; Q453-T476 HydrophobicContact CG-CG2 4.36Å
454	L	98.9	Very high	98.5	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	112.2	175.5	179.7	54.6	0	0	0	109.5	L431 L451 L456 I468 L471 L474 T476 L477 N478	L431-L454 HydrophobicContact CB-CD1 4.04Å; L431-L454 HydrophobicContact CD2-CD1 3.91Å; L431-L454 HydrophobicContact CG-CD1 4.03Å; L451-L454 HydrophobicContact CD2-CB 3.84Å; L451-L454 HydrophobicContact CD2-CD1 4.21Å; L451-L454 HydrophobicContact CD2-CD2 4.16Å; L451-L454 HydrophobicContact CD2-CG 4.29Å; L454-L456 HydrophobicContact CD1-CD1 4.12Å; L454-L456 HydrophobicContact CD1-CD2 4.42Å; L454-L456 HydrophobicContact CD1-CG 4.06Å; L454-L456 HydrophobicContact CD2-CD1 3.87Å; L454-L456 HydrophobicContact CG-CD1 3.74Å; L454-L456 HydrophobicContact CG-CG 4.08Å; L454-I468 HydrophobicContact CD2-CD1 3.92Å; L454-L471 HydrophobicContact CD2-CD1 4.31Å; L454-L474 HydrophobicContact CB-CD1 3.93Å; L454-T476 PolarHBondContact N-O 3.09Å; L454-L477 HydrophobicContact CB-CD1 4.07Å; L454-L477 HydrophobicContact CD2-CD1 3.9Å; L454-L477 HydrophobicContact CG-CD1 4.01Å; L454-N478 PolarHBondContact O-N 3.25Å
455	E	98.9	Very high	98.5	Very high	21 Å²	21	36 Å²	36	10%	0.098	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	119.3	179.5	-57.1	-70.2	157	0	0	110.2	L431 D432 L433 T434 Q453 N478	L431-E455 PolarHBondContact O-N 3.14Å; D432-E455 HydrophobicContact CB-CB 4.27Å; D432-E455 WeakPolarHBondContact OD1-CB 3.48Å; L433-E455 WeakPolarHBondContact CA-O 3.23Å; L433-E455 PolarHBondContact N-O 3.11Å; T434-E455 WeakPolarHBondContact OG1-CB 3.45Å; Q453-E455 HydrophobicContact CG-CG 4.06Å; Q453-E455 WeakPolarHBondContact CG-OE1 3.31Å; Q453-E455 PolarHBondContact NE2-OE1 3Å; E455-N478 WeakPolarHBondContact OE2-CB 3.04Å; E455-N478 VanDerWaalsContact OE2-CG 3.3Å; E455-N478 PolarHBondContact OE2-ND2 3.12Å
456	L	98.9	Very high	98.5	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.214	C	C	.	.			trans	-132.3	18.7	-177.4	-66.6	158.5	0	0	0	111.4	L433 L438 L441 L454 N459 I461 L477 N478 L479 N482	L433-L456 HydrophobicContact CB-CD2 3.86Å; L433-L456 HydrophobicContact CD1-CD2 3.78Å; L433-L456 HydrophobicContact CG-CD2 4.48Å; L438-L456 HydrophobicContact CD1-CD2 4.09Å; L441-L456 HydrophobicContact CD1-CD1 3.73Å; L441-L456 HydrophobicContact CD1-CD2 4.49Å; L441-L456 HydrophobicContact CD2-CD2 3.82Å; L454-L456 HydrophobicContact CD1-CD1 4.12Å; L454-L456 HydrophobicContact CD1-CD2 4.42Å; L454-L456 HydrophobicContact CD1-CG 4.06Å; L454-L456 HydrophobicContact CD2-CD1 3.87Å; L454-L456 HydrophobicContact CG-CD1 3.74Å; L454-L456 HydrophobicContact CG-CG 4.08Å; L456-N459 PolarHBondContact O-ND2 2.92Å; L456-I461 HydrophobicContact CB-CD1 3.99Å; L456-I461 HydrophobicContact CD1-CD1 4.28Å; L456-I461 HydrophobicContact CD2-CD1 3.97Å; L456-I461 HydrophobicContact CG-CD1 4.32Å; L456-L477 HydrophobicContact CD1-CD1 4.42Å; L456-N478 CarbonylContact C-O 3.53Å; L456-N478 WeakPolarHBondContact CA-O 3.24Å; L456-N478 WeakPolarHBondContact CB-O 3.24Å; L456-N478 PolarHBondContact N-O 2.99Å; L456-L479 HydrophobicContact CB-CD2 4.06Å; L456-L479 HydrophobicContact CD1-CD2 3.65Å; L456-N482 PolarHBondContact O-ND2 2.93Å
457	E	98.9	Very high	98.5	Very high	60 Å²	60	43 Å²	43	28%	0.28	23%	0.225	S	C	.	.			trans	-58.9	146	-177.3	172.3	172.3	179.9	0	0	111.4	T434 S435 N459 N478 D480	T434-E457 CarbonylContact C-O 3.29Å; T434-E457 VanDerWaalsContact CA-O 3.28Å; T434-E457 WeakPolarHBondContact CA-O 3.35Å; T434-E457 HydrophobicContact CG2-CB 3.96Å; T434-E457 HydrophobicContact CG2-CG 4.36Å; S435-E457 PolarHBondContact N-O 3.05Å; E457-N459 PolarHBondContact O-ND2 2.88Å; E457-N478 PolarHBondContact OE2-ND2 3.12Å; E457-D480 CarbonylContact C-O 3.09Å; E457-D480 WeakPolarHBondContact CA-O 3.48Å; E457-D480 HydrophobicContact CB-CB 4.38Å; E457-D480 HydrophobicContact CG-CB 3.98Å
458	S	98.8	Very high	98.5	Very high	40 Å²	40	39.5 Å²	39.5	28%	0.28	21%	0.209	S	C	.	.	S	Bend	trans	57.6	55.2	175.9	-60.6	0	0	0	0	113.3	S435 N436 D480 V481	S435-S458 VanDerWaalsContact CA-O 3.27Å; S435-S458 WeakPolarHBondContact CA-O 3.45Å; N436-S458 PolarHBondContact N-O 3Å; S458-D480 PolarHBondContact N-O 3.01Å; S458-V481 WeakPolarHBondContact CA-O 3.15Å; S458-V481 PolarHBondContact N-O 2.69Å
459	N	98.9	Very high	98.5	Very high	12 Å²	12	39.8 Å²	39.8	6%	0.064	21%	0.211	C	C	.	.	S	Bend	trans	-120.7	-167.3	172.6	-85.4	-79.6	0	0	0	110.5	L433 N436 R437 L438 L456 E457 I461 V481 N482	L433-N459 PolarHBondContact O-ND2 3.11Å; N436-N459 VanDerWaalsContact CA-OD1 3.31Å; N436-N459 WeakPolarHBondContact CA-OD1 3.23Å; N436-N459 WeakPolarHBondContact CB-OD1 3.46Å; N436-N459 PolarHBondContact N-OD1 3.01Å; N436-N459 PolarHBondContact O-OD1 3.31Å; R437-N459 PolarHBondContact N-OD1 3.14Å; L438-N459 HydrophobicContact CB-CB 4.28Å; L438-N459 WeakPolarHBondContact CB-OD1 3.37Å; L438-N459 PolarHBondContact N-OD1 3.35Å; L456-N459 PolarHBondContact O-ND2 2.92Å; E457-N459 PolarHBondContact O-ND2 2.88Å; N459-I461 HydrophobicContact CB-CD1 4.13Å; N459-I461 HydrophobicContact CB-CG1 3.97Å; N459-V481 PolarHBondContact N-O 3.22Å; N459-N482 WeakPolarHBondContact CA-OD1 3.32Å; N459-N482 WeakPolarHBondContact CB-OD1 3.33Å; N459-N482 PolarHBondContact O-OD1 2.93Å
460	Q	98.5	Very high	98.6	Very high	66 Å²	66	40.4 Å²	40.4	31%	0.308	21%	0.209	S	C	.	.			trans	-111.3	23	178.1	-56.8	-165.9	76.9	0	0	112.5	R437 L438 E439 T462	R437-Q460 PolarHBondContact O-NE2 3.44Å; L438-Q460 CarbonylContact O-C 3.59Å; L438-Q460 WeakPolarHBondContact O-CA 3.39Å; L438-Q460 WeakPolarHBondContact O-CB 3.42Å; L438-Q460 PolarHBondContact O-N 3.45Å; E439-Q460 HydrophobicContact CG-CB 4.37Å; Q460-T462 PolarHBondContact O-N 3.32Å
461	I	98.7	Very high	98.6	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.185	C	C	.	.			trans	-68.7	124.9	-167.6	-60.8	171.1	0	0	0	110.6	L438 E439 L456 N459 S463 I464 N482 K483 L484	L438-I461 HydrophobicContact CB-CG1 4.25Å; L438-I461 WeakPolarHBondContact O-CG1 3.48Å; L438-I461 PolarHBondContact O-N 3.23Å; L438-I461 VanDerWaalsContact O-N 3.12Å; E439-I461 WeakPolarHBondContact O-CA 3.4Å; L456-I461 HydrophobicContact CB-CD1 3.99Å; L456-I461 HydrophobicContact CD1-CD1 4.28Å; L456-I461 HydrophobicContact CD2-CD1 3.97Å; L456-I461 HydrophobicContact CG-CD1 4.32Å; N459-I461 HydrophobicContact CB-CD1 4.13Å; N459-I461 HydrophobicContact CB-CG1 3.97Å; I461-S463 WeakPolarHBondContact CG2-O 3.42Å; I461-I464 HydrophobicContact CG2-CD1 3.78Å; I461-N482 HydrophobicContact CB-CB 4.43Å; I461-N482 VanDerWaalsContact CB-OD1 3.28Å; I461-N482 WeakPolarHBondContact CB-OD1 3.39Å; I461-N482 WeakPolarHBondContact CG1-OD1 3.28Å; I461-N482 PolarHBondContact N-OD1 2.93Å; I461-K483 CarbonylContact O-C 3.54Å; I461-K483 VanDerWaalsContact O-CA 3.3Å; I461-K483 WeakPolarHBondContact O-CA 3.46Å; I461-K483 PolarHBondContact O-N 3.41Å; I461-L484 HydrophobicContact CG2-CD2 3.86Å; I461-L484 PolarHBondContact O-N 3.32Å
462	T	98.3	Very high	98.4	Very high	75 Å²	75	36.7 Å²	36.7	46%	0.46	20%	0.203	S	C	.	.			trans	-97.2	-25.3	179.6	59.7	0	0	0	0	113.1	E439 Q460 K483	E439-T462 PolarHBondContact O-N 3.11Å; Q460-T462 PolarHBondContact O-N 3.32Å; T462-K483 HydrophobicContact CG2-CB 4.21Å
463	S	98	Very high	98.4	Very high	54 Å²	54	39.2 Å²	39.2	38%	0.378	21%	0.212	S	C	.	.			trans	-154.3	156.8	176.4	66.2	0	0	0	0	112	I461	I461-S463 WeakPolarHBondContact CG2-O 3.42Å
464	I	98.1	Very high	98.4	Very high	11 Å²	11	36 Å²	36	6%	0.056	20%	0.197	C	C	.	.			trans	-108.9	134.1	173.1	-60.4	-62	0	0	0	108.6	L441 I461 I468 L479 L484 P488	L441-I464 HydrophobicContact CD1-CD1 4.18Å; I461-I464 HydrophobicContact CG2-CD1 3.78Å; I464-I468 HydrophobicContact CG2-CB 3.63Å; I464-I468 HydrophobicContact CG2-CD1 4.13Å; I464-I468 HydrophobicContact CG2-CG1 3.85Å; I464-I468 HydrophobicContact CG2-CG2 3.71Å; I464-L479 HydrophobicContact CD1-CD1 4.48Å; I464-L479 HydrophobicContact CD1-CD2 3.53Å; I464-L479 HydrophobicContact CG1-CD1 4.16Å; I464-L479 HydrophobicContact CG1-CD2 4.11Å; I464-L484 HydrophobicContact CD1-CD2 4.45Å; I464-L484 HydrophobicContact CG1-CD1 4.47Å; I464-L484 HydrophobicContact CG1-CD2 3.95Å; I464-P488 HydrophobicContact CB-CG 4.3Å; I464-P488 HydrophobicContact CG2-CG 4.26Å
465	P	98.1	Very high	98.4	Very high	16 Å²	16	38.8 Å²	38.8	10%	0.104	21%	0.21	C	C	.	.			trans	-64.9	153.4	-179	27	-35.6	0	0	0	112	L441 N443 I445 N467 I468	L441-P465 HydrophobicContact CB-CG 4.17Å; N443-P465 WeakPolarHBondContact OD1-CB 3.33Å; I445-P465 HydrophobicContact CG2-CG 3.94Å; P465-N467 PolarHBondContact O-N 2.92Å; P465-I468 WeakPolarHBondContact O-CB 3.41Å; P465-I468 VanDerWaalsContact O-CG2 3.31Å; P465-I468 WeakPolarHBondContact O-CG2 3.49Å; P465-I468 PolarHBondContact O-N 3.21Å; P465-I468 VanDerWaalsContact O-N 3.12Å
466	L	98.4	Very high	98.4	Very high	101 Å²	101	38.8 Å²	38.8	53%	0.529	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	-59.9	-30.2	177.9	-65.4	177.7	0	0	0	111.9	I468 G469 P488 T490	L466-I468 PolarHBondContact O-N 2.65Å; L466-I468 VanDerWaalsContact O-N 3.09Å; L466-G469 PolarHBondContact O-N 3.14Å; L466-P488 HydrophobicContact CD2-CB 3.76Å; L466-T490 WeakPolarHBondContact CA-OG1 3.38Å; L466-T490 HydrophobicContact CB-CG2 4.17Å; L466-T490 HydrophobicContact CD2-CG2 4.22Å; L466-T490 VanDerWaalsContact O-CB 3.23Å; L466-T490 WeakPolarHBondContact O-CB 3.39Å; L466-T490 PolarHBondContact O-OG1 2.94Å
467	N	98.5	Very high	98.4	Very high	49 Å²	49	38.9 Å²	38.9	26%	0.262	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	-59	-17.3	177.2	-66.1	78.3	0	0	0	114.4	N443 G446 P465 G469 Q470	N443-N467 WeakPolarHBondContact O-CB 3.12Å; N443-N467 VanDerWaalsContact O-CG 3.28Å; G446-N467 WeakPolarHBondContact CA-O 3.4Å; P465-N467 PolarHBondContact O-N 2.92Å; N467-G469 PolarHBondContact O-N 3.49Å; N467-G469 VanDerWaalsContact O-N 3.08Å; N467-Q470 PolarHBondContact ND2-OE1 3.01Å; N467-Q470 VanDerWaalsContact O-CB 3.27Å; N467-Q470 WeakPolarHBondContact O-CB 3.14Å; N467-Q470 WeakPolarHBondContact O-CG 3.17Å; N467-Q470 PolarHBondContact O-N 3.17Å
468	I	98.4	Very high	98.4	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-53.4	-33.1	173.5	-161.8	74.9	0	0	0	111.8	L454 I464 P465 L466 Q470 L471 P488 L494	L454-I468 HydrophobicContact CD2-CD1 3.92Å; I464-I468 HydrophobicContact CG2-CB 3.63Å; I464-I468 HydrophobicContact CG2-CD1 4.13Å; I464-I468 HydrophobicContact CG2-CG1 3.85Å; I464-I468 HydrophobicContact CG2-CG2 3.71Å; P465-I468 WeakPolarHBondContact O-CB 3.41Å; P465-I468 VanDerWaalsContact O-CG2 3.31Å; P465-I468 WeakPolarHBondContact O-CG2 3.49Å; P465-I468 PolarHBondContact O-N 3.21Å; P465-I468 VanDerWaalsContact O-N 3.12Å; L466-I468 PolarHBondContact O-N 2.65Å; L466-I468 VanDerWaalsContact O-N 3.09Å; I468-Q470 PolarHBondContact O-N 2.84Å; I468-L471 HydrophobicContact CD1-CD1 3.53Å; I468-L471 HydrophobicContact CG1-CD1 4.25Å; I468-L471 WeakPolarHBondContact O-CB 2.99Å; I468-L471 WeakPolarHBondContact O-CG 3.27Å; I468-L471 PolarHBondContact O-N 2.81Å; I468-L471 VanDerWaalsContact O-N 3.08Å; I468-P488 HydrophobicContact CG2-CG 3.74Å; I468-L494 VanDerWaalsContact O-CD2 3.29Å; I468-L494 WeakPolarHBondContact O-CD2 3.17Å
469	G	98.2	Very high	98.4	Very high	5 Å²	5	34.3 Å²	34.3	5%	0.052	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-66.9	-5.5	178.6	0	0	0	0	0	115	L466 N467 T490 N493	L466-G469 PolarHBondContact O-N 3.14Å; N467-G469 PolarHBondContact O-N 3.49Å; N467-G469 VanDerWaalsContact O-N 3.08Å; G469-T490 VanDerWaalsContact CA-O 3.28Å; G469-T490 WeakPolarHBondContact CA-O 3.26Å; G469-N493 WeakPolarHBondContact O-CB 3.29Å
470	Q	98.4	Very high	98.4	Very high	94 Å²	94	33.9 Å²	33.9	44%	0.439	18%	0.184	S	C	.	.	G	3₁₀ helix	trans	-82.7	-13.9	173.2	-61	176.3	-59	0	0	112.4	G446 N467 I468 C472	G446-Q470 VanDerWaalsContact O-CB 3.28Å; G446-Q470 WeakPolarHBondContact O-CB 3.37Å; N467-Q470 PolarHBondContact ND2-OE1 3.01Å; N467-Q470 VanDerWaalsContact O-CB 3.27Å; N467-Q470 WeakPolarHBondContact O-CB 3.14Å; N467-Q470 WeakPolarHBondContact O-CG 3.17Å; N467-Q470 PolarHBondContact O-N 3.17Å; I468-Q470 PolarHBondContact O-N 2.84Å; Q470-C472 PolarHBondContact O-N 2.98Å
471	L	98.5	Very high	98.4	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.184	C	C	.	.			trans	-77.5	60.5	179.7	-57.3	-178	0	0	0	111.8	I445 L448 L451 L454 I468 Q473 L474 L494	I445-L471 WeakPolarHBondContact O-CD2 3.34Å; L448-L471 HydrophobicContact CB-CD2 3.99Å; L448-L471 WeakPolarHBondContact O-CD2 3.42Å; L451-L471 HydrophobicContact CB-CD2 4.24Å; L451-L471 HydrophobicContact CD2-CD1 4.02Å; L454-L471 HydrophobicContact CD2-CD1 4.31Å; I468-L471 HydrophobicContact CD1-CD1 3.53Å; I468-L471 HydrophobicContact CG1-CD1 4.25Å; I468-L471 WeakPolarHBondContact O-CB 2.99Å; I468-L471 WeakPolarHBondContact O-CG 3.27Å; I468-L471 PolarHBondContact O-N 2.81Å; I468-L471 VanDerWaalsContact O-N 3.08Å; L471-Q473 PolarHBondContact O-N 3.2Å; L471-L474 HydrophobicContact CB-CB 4.02Å; L471-L474 HydrophobicContact CB-CD2 4.42Å; L471-L474 HydrophobicContact CD1-CD1 4.44Å; L471-L474 HydrophobicContact CD1-CD2 4.14Å; L471-L474 VanDerWaalsContact O-CB 3.23Å; L471-L474 WeakPolarHBondContact O-CB 3.28Å; L471-L474 PolarHBondContact O-N 3.03Å; L471-L494 HydrophobicContact CB-CD2 3.93Å; L471-L494 VanDerWaalsContact O-CD2 3.24Å; L471-L494 WeakPolarHBondContact O-CD2 3.28Å
472	C	95.7	Very high	98.4	Very high	57 Å²	57	33.7 Å²	33.7	39%	0.385	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-16.7	-170.7	-61	0	0	0	0	114.2	Q470 N496	Q470-C472 PolarHBondContact O-N 2.98Å; C472-N496 PolarHBondContact O-ND2 3.08Å
473	Q	98.2	Very high	98.4	Very high	94 Å²	94	34.8 Å²	34.8	44%	0.439	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-6.8	175.9	-62.1	-56.7	-40.5	0	0	114.2	V449 L451 L471 Q475	V449-Q473 VanDerWaalsContact O-CG 3.27Å; V449-Q473 WeakPolarHBondContact O-CG 3.44Å; L451-Q473 CarbonylContact O-C 3.18Å; L451-Q473 VanDerWaalsContact O-C 3.26Å; L471-Q473 PolarHBondContact O-N 3.2Å; Q473-Q475 PolarHBondContact O-N 3.16Å
474	L	98.8	Very high	98.4	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.168	C	C	.	.			trans	-64.3	126.2	-171.8	-159.8	71.8	0	0	0	111.1	L451 L454 L471 L477 L494 N496 L497	L451-L474 HydrophobicContact CB-CD1 4.27Å; L451-L474 HydrophobicContact CD2-CD1 4.11Å; L451-L474 HydrophobicContact CG-CD1 4.06Å; L451-L474 WeakPolarHBondContact O-CA 3.47Å; L451-L474 PolarHBondContact O-N 3.43Å; L451-L474 VanDerWaalsContact O-N 3.09Å; L454-L474 HydrophobicContact CB-CD1 3.93Å; L471-L474 HydrophobicContact CB-CB 4.02Å; L471-L474 HydrophobicContact CB-CD2 4.42Å; L471-L474 HydrophobicContact CD1-CD1 4.44Å; L471-L474 HydrophobicContact CD1-CD2 4.14Å; L471-L474 VanDerWaalsContact O-CB 3.23Å; L471-L474 WeakPolarHBondContact O-CB 3.28Å; L471-L474 PolarHBondContact O-N 3.03Å; L474-L477 HydrophobicContact CD2-CB 3.88Å; L474-L477 HydrophobicContact CD2-CD1 4.32Å; L474-L477 HydrophobicContact CD2-CD2 4.35Å; L474-L477 HydrophobicContact CD2-CG 4.41Å; L474-L494 HydrophobicContact CB-CD2 4.31Å; L474-L494 HydrophobicContact CD2-CD1 4.1Å; L474-L494 HydrophobicContact CD2-CD2 4.45Å; L474-N496 CarbonylContact O-C 2.97Å; L474-L497 HydrophobicContact CB-CD1 4.49Å; L474-L497 HydrophobicContact CD2-CD1 4.22Å; L474-L497 HydrophobicContact CG-CD1 4.2Å; L474-L497 WeakPolarHBondContact O-CA 3.49Å; L474-L497 PolarHBondContact O-N 3.19Å; L474-L497 VanDerWaalsContact O-N 3.08Å
475	Q	98.9	Very high	98.4	Very high	59 Å²	59	34 Å²	34	28%	0.276	18%	0.181	S	C	.	.			trans	-108.9	-32.1	179.2	-63.4	-175.4	32.4	0	0	112.3	V452 Q473 K498 K499	V452-Q475 HydrophobicContact CG1-CB 4.04Å; V452-Q475 HydrophobicContact CG1-CG 3.93Å; V452-Q475 PolarHBondContact O-N 3.38Å; Q473-Q475 PolarHBondContact O-N 3.16Å; Q475-K498 HydrophobicContact CB-CD 4.45Å; Q475-K498 WeakPolarHBondContact O-CA 3.14Å; Q475-K498 PolarHBondContact O-N 3.29Å; Q475-K499 PolarHBondContact O-N 3.1Å
476	T	98.9	Very high	98.4	Very high	22 Å²	22	39.7 Å²	39.7	14%	0.135	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	124.7	177.7	-58.4	0	0	0	0	109.6	V452 Q453 L454 K499	V452-T476 PolarHBondContact O-N 2.79Å; V452-T476 VanDerWaalsContact O-N 3.1Å; Q453-T476 HydrophobicContact CG-CG2 4.36Å; L454-T476 PolarHBondContact N-O 3.09Å; T476-K499 WeakPolarHBondContact CA-O 3.36Å; T476-K499 HydrophobicContact CG2-CB 4.32Å
477	L	98.9	Very high	98.4	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.005	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	113.3	169.2	178.5	56.4	0	0	0	108.5	L454 L456 L474 L479 I491 L494 L497 K499 L500 R501	L454-L477 HydrophobicContact CB-CD1 4.07Å; L454-L477 HydrophobicContact CD2-CD1 3.9Å; L454-L477 HydrophobicContact CG-CD1 4.01Å; L456-L477 HydrophobicContact CD1-CD1 4.42Å; L474-L477 HydrophobicContact CD2-CB 3.88Å; L474-L477 HydrophobicContact CD2-CD1 4.32Å; L474-L477 HydrophobicContact CD2-CD2 4.35Å; L474-L477 HydrophobicContact CD2-CG 4.41Å; L477-L479 HydrophobicContact CD1-CD1 4.32Å; L477-L479 HydrophobicContact CD1-CD2 4.32Å; L477-L479 HydrophobicContact CD1-CG 4.07Å; L477-L479 HydrophobicContact CD2-CD1 3.91Å; L477-L479 HydrophobicContact CG-CD1 3.93Å; L477-L479 HydrophobicContact CG-CG 4.02Å; L477-I491 HydrophobicContact CD2-CD1 3.8Å; L477-L494 HydrophobicContact CD2-CD1 4.31Å; L477-L497 HydrophobicContact CB-CD1 3.92Å; L477-K499 PolarHBondContact N-O 3.31Å; L477-L500 HydrophobicContact CB-CD1 4.08Å; L477-L500 HydrophobicContact CD2-CD1 3.93Å; L477-L500 HydrophobicContact CG-CD1 4.04Å; L477-R501 PolarHBondContact O-N 3.26Å
478	N	98.9	Very high	98.4	Very high	5 Å²	5	33 Å²	33	3%	0.027	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	116.5	176.9	-171.5	3.6	0	0	0	110.6	L454 E455 L456 E457 D480 R501	L454-N478 PolarHBondContact O-N 3.25Å; E455-N478 WeakPolarHBondContact OE2-CB 3.04Å; E455-N478 VanDerWaalsContact OE2-CG 3.3Å; E455-N478 PolarHBondContact OE2-ND2 3.12Å; L456-N478 CarbonylContact C-O 3.53Å; L456-N478 WeakPolarHBondContact CA-O 3.24Å; L456-N478 WeakPolarHBondContact CB-O 3.24Å; L456-N478 PolarHBondContact N-O 2.99Å; E457-N478 PolarHBondContact OE2-ND2 3.12Å; N478-D480 VanDerWaalsContact OD1-CB 3.3Å; N478-D480 WeakPolarHBondContact OD1-CB 3.27Å; N478-D480 VanDerWaalsContact OD1-CG 3.27Å; N478-D480 PolarHBondContact OD1-N 3.42Å; N478-D480 VanDerWaalsContact OD1-N 3.08Å; N478-R501 HydrophobicContact CB-CB 4.39Å; N478-R501 HydrophobicContact CB-CG 4.48Å; N478-R501 WeakPolarHBondContact OD1-CB 3.39Å
479	L	98.8	Very high	98.4	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.183	C	C	.	.			trans	-124.3	16.8	179.7	-65.1	166	0	0	0	110.4	L456 I464 L477 N482 L484 L487 R501 V502 N505	L456-L479 HydrophobicContact CB-CD2 4.06Å; L456-L479 HydrophobicContact CD1-CD2 3.65Å; I464-L479 HydrophobicContact CD1-CD1 4.48Å; I464-L479 HydrophobicContact CD1-CD2 3.53Å; I464-L479 HydrophobicContact CG1-CD1 4.16Å; I464-L479 HydrophobicContact CG1-CD2 4.11Å; L477-L479 HydrophobicContact CD1-CD1 4.32Å; L477-L479 HydrophobicContact CD1-CD2 4.32Å; L477-L479 HydrophobicContact CD1-CG 4.07Å; L477-L479 HydrophobicContact CD2-CD1 3.91Å; L477-L479 HydrophobicContact CG-CD1 3.93Å; L477-L479 HydrophobicContact CG-CG 4.02Å; L479-N482 PolarHBondContact O-ND2 2.77Å; L479-N482 VanDerWaalsContact O-ND2 3.13Å; L479-L484 HydrophobicContact CB-CD1 3.87Å; L479-L484 HydrophobicContact CD1-CD1 3.92Å; L479-L484 HydrophobicContact CD2-CD1 4.32Å; L479-L484 HydrophobicContact CG-CD1 4.27Å; L479-L487 HydrophobicContact CD1-CD2 4.16Å; L479-R501 CarbonylContact C-O 3.52Å; L479-R501 WeakPolarHBondContact CA-O 3.22Å; L479-R501 WeakPolarHBondContact CB-O 3.12Å; L479-R501 PolarHBondContact N-O 3.48Å; L479-V502 HydrophobicContact CB-CG1 3.94Å; L479-V502 HydrophobicContact CD1-CG1 3.93Å; L479-N505 PolarHBondContact O-ND2 3.05Å
480	D	98.8	Very high	98.4	Very high	2 Å²	2	36.7 Å²	36.7	1%	0.011	19%	0.189	C	C	.	.			trans	-56.1	147.8	-179.9	-74.5	-7.4	0	0	0	111	E457 S458 N478 N482 R501 V502 K503	E457-D480 CarbonylContact C-O 3.09Å; E457-D480 WeakPolarHBondContact CA-O 3.48Å; E457-D480 HydrophobicContact CB-CB 4.38Å; E457-D480 HydrophobicContact CG-CB 3.98Å; S458-D480 PolarHBondContact N-O 3.01Å; N478-D480 VanDerWaalsContact OD1-CB 3.3Å; N478-D480 WeakPolarHBondContact OD1-CB 3.27Å; N478-D480 VanDerWaalsContact OD1-CG 3.27Å; N478-D480 PolarHBondContact OD1-N 3.42Å; N478-D480 VanDerWaalsContact OD1-N 3.08Å; D480-N482 PolarHBondContact O-ND2 2.89Å; D480-N482 VanDerWaalsContact O-ND2 3.16Å; D480-R501 WeakPolarHBondContact OD1-CA 3.14Å; D480-R501 WeakPolarHBondContact OD1-CB 3.45Å; D480-R501 IonicContact OD2-CZ 3.62Å; D480-R501 IonicContact OD2-NE 3.27Å; D480-R501 PolarHBondContact OD2-NE 2.97Å; D480-R501 IonicContact OD2-NH2 3.12Å; D480-R501 PolarHBondContact OD2-NH2 2.73Å; D480-V502 PolarHBondContact OD1-N 3.21Å; D480-K503 CarbonylContact C-O 3.38Å; D480-K503 VanDerWaalsContact CA-O 3.3Å; D480-K503 WeakPolarHBondContact CA-O 3.36Å; D480-K503 HydrophobicContact CB-CB 4.45Å; D480-K503 VanDerWaalsContact OD1-CB 3.3Å; D480-K503 WeakPolarHBondContact OD1-CB 3.36Å; D480-K503 PolarHBondContact OD1-N 3.44Å
481	V	98.8	Very high	98.3	Very high	51 Å²	51	32.2 Å²	32.2	31%	0.309	17%	0.168	S	C	.	.	S	Bend	trans	55.5	64.8	174.9	-166	0	0	0	0	111.4	S458 N459 K503 E504	S458-V481 WeakPolarHBondContact CA-O 3.15Å; S458-V481 PolarHBondContact N-O 2.69Å; N459-V481 PolarHBondContact N-O 3.22Å; V481-K503 PolarHBondContact N-O 2.78Å; V481-E504 WeakPolarHBondContact CA-O 3.18Å; V481-E504 HydrophobicContact CG2-CB 4.13Å
482	N	98.8	Very high	98.3	Very high	12 Å²	12	32.3 Å²	32.3	6%	0.064	17%	0.169	C	C	.	.	S	Bend	trans	-136	-168.7	176.8	-88.4	-76.5	0	0	0	109.9	L456 N459 I461 L479 D480 L484 E504 N505	L456-N482 PolarHBondContact O-ND2 2.93Å; N459-N482 WeakPolarHBondContact CA-OD1 3.32Å; N459-N482 WeakPolarHBondContact CB-OD1 3.33Å; N459-N482 PolarHBondContact O-OD1 2.93Å; I461-N482 HydrophobicContact CB-CB 4.43Å; I461-N482 VanDerWaalsContact CB-OD1 3.28Å; I461-N482 WeakPolarHBondContact CB-OD1 3.39Å; I461-N482 WeakPolarHBondContact CG1-OD1 3.28Å; I461-N482 PolarHBondContact N-OD1 2.93Å; L479-N482 PolarHBondContact O-ND2 2.77Å; L479-N482 VanDerWaalsContact O-ND2 3.13Å; D480-N482 PolarHBondContact O-ND2 2.89Å; D480-N482 VanDerWaalsContact O-ND2 3.16Å; N482-L484 HydrophobicContact CB-CG 4.37Å; N482-E504 PolarHBondContact N-O 2.77Å; N482-N505 WeakPolarHBondContact CA-OD1 3.44Å; N482-N505 WeakPolarHBondContact CB-OD1 3.42Å; N482-N505 PolarHBondContact O-OD1 3.07Å
483	K	98.4	Very high	98.4	Very high	98 Å²	98	32.9 Å²	32.9	43%	0.426	17%	0.168	S	C	.	.			trans	-114.2	27.4	-179.3	-60.9	177.7	-176.6	168	0	112	I461 T462 S485 N505	I461-K483 CarbonylContact O-C 3.54Å; I461-K483 VanDerWaalsContact O-CA 3.3Å; I461-K483 WeakPolarHBondContact O-CA 3.46Å; I461-K483 PolarHBondContact O-N 3.41Å; T462-K483 HydrophobicContact CG2-CB 4.21Å; K483-S485 PolarHBondContact O-N 3.08Å; K483-N505 PolarHBondContact N-OD1 2.59Å
484	L	98.6	Very high	98.4	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.147	C	C	.	.			trans	-68.5	126.4	-174.8	-65.9	170.1	0	0	0	111.7	I461 I464 L479 N482 L487 N505 L506 L507	I461-L484 HydrophobicContact CG2-CD2 3.86Å; I461-L484 PolarHBondContact O-N 3.32Å; I464-L484 HydrophobicContact CD1-CD2 4.45Å; I464-L484 HydrophobicContact CG1-CD1 4.47Å; I464-L484 HydrophobicContact CG1-CD2 3.95Å; L479-L484 HydrophobicContact CB-CD1 3.87Å; L479-L484 HydrophobicContact CD1-CD1 3.92Å; L479-L484 HydrophobicContact CD2-CD1 4.32Å; L479-L484 HydrophobicContact CG-CD1 4.27Å; N482-L484 HydrophobicContact CB-CG 4.37Å; L484-L487 HydrophobicContact CD1-CD2 4.24Å; L484-N505 HydrophobicContact CB-CB 4.3Å; L484-N505 VanDerWaalsContact CB-OD1 3.24Å; L484-N505 WeakPolarHBondContact CB-OD1 3.43Å; L484-N505 WeakPolarHBondContact CG-OD1 3.47Å; L484-N505 PolarHBondContact N-OD1 3.16Å; L484-L506 CarbonylContact O-C 3.4Å; L484-L506 WeakPolarHBondContact O-CA 3.43Å; L484-L506 WeakPolarHBondContact O-CB 3.21Å; L484-L506 PolarHBondContact O-N 3.27Å; L484-L507 HydrophobicContact CB-CD2 4.06Å; L484-L507 PolarHBondContact O-N 3.49Å; L484-L507 VanDerWaalsContact O-N 3.1Å
485	S	97.9	Very high	98.3	Very high	48 Å²	48	32.6 Å²	32.6	34%	0.336	17%	0.17	S	C	.	.	S	Bend	trans	-91.7	-24.1	172.7	57.8	0	0	0	0	113.6	K483 L506 L507 Q508	K483-S485 PolarHBondContact O-N 3.08Å; S485-L506 WeakPolarHBondContact CA-O 3.39Å; S485-L507 WeakPolarHBondContact O-CA 3.23Å; S485-Q508 PolarHBondContact O-N 3.2Å
486	R	97.8	Very high	98.2	Very high	135 Å²	135	32.7 Å²	32.7	51%	0.509	17%	0.172	S	C	.	.			trans	-155.6	158.9	179.9	61.7	-178.5	177.1	89.8	0.3	110.9
487	L	98.4	Very high	98.2	Very high	7 Å²	7	31.7 Å²	31.7	4%	0.037	17%	0.166	C	C	.	.			trans	-96.4	150.2	163	-60.6	177.2	0	0	0	109.9	L479 L484 L500 V502 L507 L510 P511	L479-L487 HydrophobicContact CD1-CD2 4.16Å; L484-L487 HydrophobicContact CD1-CD2 4.24Å; L487-L500 HydrophobicContact CD1-CD2 4.12Å; L487-V502 HydrophobicContact CD1-CG1 4.34Å; L487-V502 HydrophobicContact CD2-CG1 4.05Å; L487-L507 HydrophobicContact CG-CD2 4.26Å; L487-L510 HydrophobicContact CD1-CD2 3.92Å; L487-P511 HydrophobicContact CB-CG 4.19Å
488	P	97.9	Very high	98.2	Very high	2 Å²	2	35.8 Å²	35.8	1%	0.013	18%	0.183	C	C	.	.			trans	-69.4	150.7	174.3	29.4	-34.4	0	0	0	111.3	I464 L466 I468 T490 I491	I464-P488 HydrophobicContact CB-CG 4.3Å; I464-P488 HydrophobicContact CG2-CG 4.26Å; L466-P488 HydrophobicContact CD2-CB 3.76Å; I468-P488 HydrophobicContact CG2-CG 3.74Å; P488-T490 PolarHBondContact O-N 3.05Å; P488-I491 VanDerWaalsContact O-CB 3.3Å; P488-I491 WeakPolarHBondContact O-CB 3.39Å; P488-I491 WeakPolarHBondContact O-CG2 3.3Å; P488-I491 PolarHBondContact O-N 2.91Å; P488-I491 VanDerWaalsContact O-N 3.1Å
489	S	97.9	Very high	98.2	Very high	54 Å²	54	40 Å²	40	38%	0.378	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-62.2	-29.9	176	51.3	0	0	0	0	112.5	I491 G492 E513	S489-I491 PolarHBondContact O-N 2.84Å; S489-I491 VanDerWaalsContact O-N 3.11Å; S489-G492 PolarHBondContact O-N 3.37Å; S489-E513 WeakPolarHBondContact O-CB 3.31Å; S489-E513 WeakPolarHBondContact O-CG 3.47Å
490	T	98.3	Very high	98.2	Very high	29 Å²	29	40 Å²	40	18%	0.178	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-65.5	-9.3	175.9	54.7	0	0	0	0	114	L466 G469 P488 G492 N493	L466-T490 WeakPolarHBondContact CA-OG1 3.38Å; L466-T490 HydrophobicContact CB-CG2 4.17Å; L466-T490 HydrophobicContact CD2-CG2 4.22Å; L466-T490 VanDerWaalsContact O-CB 3.23Å; L466-T490 WeakPolarHBondContact O-CB 3.39Å; L466-T490 PolarHBondContact O-OG1 2.94Å; G469-T490 VanDerWaalsContact CA-O 3.28Å; G469-T490 WeakPolarHBondContact CA-O 3.26Å; P488-T490 PolarHBondContact O-N 3.05Å; T490-G492 PolarHBondContact O-N 3.24Å; T490-N493 WeakPolarHBondContact O-CB 3.45Å; T490-N493 PolarHBondContact O-N 3.04Å
491	I	98.2	Very high	98.2	Very high	1 Å²	1	43 Å²	43	1%	0.005	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-54.7	-34.1	170.8	-162.7	74.7	0	0	0	111.2	L477 P488 S489 N493 L494 P511 I514 L517	L477-I491 HydrophobicContact CD2-CD1 3.8Å; P488-I491 VanDerWaalsContact O-CB 3.3Å; P488-I491 WeakPolarHBondContact O-CB 3.39Å; P488-I491 WeakPolarHBondContact O-CG2 3.3Å; P488-I491 PolarHBondContact O-N 2.91Å; P488-I491 VanDerWaalsContact O-N 3.1Å; S489-I491 PolarHBondContact O-N 2.84Å; S489-I491 VanDerWaalsContact O-N 3.11Å; I491-N493 PolarHBondContact O-N 2.66Å; I491-N493 VanDerWaalsContact O-N 3.09Å; I491-L494 HydrophobicContact CD1-CD1 3.51Å; I491-L494 HydrophobicContact CG1-CD1 4.21Å; I491-L494 WeakPolarHBondContact O-CB 3.47Å; I491-L494 WeakPolarHBondContact O-CG 3.3Å; I491-L494 PolarHBondContact O-N 3.19Å; I491-L494 VanDerWaalsContact O-N 3.14Å; I491-P511 HydrophobicContact CG2-CG 3.75Å; I491-I514 HydrophobicContact CG2-CD1 4.42Å; I491-L517 WeakPolarHBondContact O-CD2 3.3Å
492	G	97.6	Very high	98.2	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.01	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-66.8	-6.7	178.5	0	0	0	0	0	114.9	S489 T490 L494 E513 K516	S489-G492 PolarHBondContact O-N 3.37Å; T490-G492 PolarHBondContact O-N 3.24Å; G492-L494 VanDerWaalsContact C-N 3.34Å; G492-E513 VanDerWaalsContact CA-O 3.22Å; G492-E513 WeakPolarHBondContact CA-O 3.31Å; G492-K516 WeakPolarHBondContact O-CB 3.42Å
493	N	98	Very high	98.2	Very high	70 Å²	70	43.1 Å²	43.1	37%	0.374	21%	0.208	S	C	.	.	G	3₁₀ helix	trans	-85.7	-7.9	175.1	-61.1	-7.8	0	0	0	112.7	G469 T490 I491 N495	G469-N493 WeakPolarHBondContact O-CB 3.29Å; T490-N493 WeakPolarHBondContact O-CB 3.45Å; T490-N493 PolarHBondContact O-N 3.04Å; I491-N493 PolarHBondContact O-N 2.66Å; I491-N493 VanDerWaalsContact O-N 3.09Å; N493-N495 PolarHBondContact O-N 3.12Å
494	L	98.3	Very high	98.2	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.206	C	C	.	.			trans	-78.1	64.7	179.9	-59.7	179.4	0	0	0	111.2	I468 L471 L474 L477 I491 G492 N496 L497 L517	I468-L494 VanDerWaalsContact O-CD2 3.29Å; I468-L494 WeakPolarHBondContact O-CD2 3.17Å; L471-L494 HydrophobicContact CB-CD2 3.93Å; L471-L494 VanDerWaalsContact O-CD2 3.24Å; L471-L494 WeakPolarHBondContact O-CD2 3.28Å; L474-L494 HydrophobicContact CB-CD2 4.31Å; L474-L494 HydrophobicContact CD2-CD1 4.1Å; L474-L494 HydrophobicContact CD2-CD2 4.45Å; L477-L494 HydrophobicContact CD2-CD1 4.31Å; I491-L494 HydrophobicContact CD1-CD1 3.51Å; I491-L494 HydrophobicContact CG1-CD1 4.21Å; I491-L494 WeakPolarHBondContact O-CB 3.47Å; I491-L494 WeakPolarHBondContact O-CG 3.3Å; I491-L494 PolarHBondContact O-N 3.19Å; I491-L494 VanDerWaalsContact O-N 3.14Å; G492-L494 VanDerWaalsContact C-N 3.34Å; L494-N496 PolarHBondContact O-N 2.76Å; L494-L497 HydrophobicContact CB-CB 3.92Å; L494-L497 HydrophobicContact CB-CD2 4.37Å; L494-L497 HydrophobicContact CD1-CD1 4.4Å; L494-L497 HydrophobicContact CD1-CD2 4.04Å; L494-L497 WeakPolarHBondContact O-CB 3.19Å; L494-L497 PolarHBondContact O-N 3.09Å; L494-L517 HydrophobicContact CB-CD2 3.96Å; L494-L517 VanDerWaalsContact O-CD2 3.27Å; L494-L517 WeakPolarHBondContact O-CD2 3.14Å
495	N	95.4	Very high	98.2	Very high	88 Å²	88	42.5 Å²	42.5	47%	0.471	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-24.7	-169.4	-61.9	-32.4	0	0	0	114	N493 N519	N493-N495 PolarHBondContact O-N 3.12Å; N495-N519 PolarHBondContact O-ND2 3.31Å
496	N	98.3	Very high	98.2	Very high	60 Å²	60	44.7 Å²	44.7	32%	0.321	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.4	0.9	177.9	-74.9	-61	0	0	0	114.4	C472 L474 L494 K498	C472-N496 PolarHBondContact O-ND2 3.08Å; L474-N496 CarbonylContact O-C 2.97Å; L494-N496 PolarHBondContact O-N 2.76Å; N496-K498 PolarHBondContact O-N 3.25Å
497	L	98.7	Very high	98.2	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.005	19%	0.19	C	C	.	.			trans	-67.4	121	-173.4	-163.2	70.6	0	0	0	111	L474 L477 L494 L500 L517 N519 L520	L474-L497 HydrophobicContact CB-CD1 4.49Å; L474-L497 HydrophobicContact CD2-CD1 4.22Å; L474-L497 HydrophobicContact CG-CD1 4.2Å; L474-L497 WeakPolarHBondContact O-CA 3.49Å; L474-L497 PolarHBondContact O-N 3.19Å; L474-L497 VanDerWaalsContact O-N 3.08Å; L477-L497 HydrophobicContact CB-CD1 3.92Å; L494-L497 HydrophobicContact CB-CB 3.92Å; L494-L497 HydrophobicContact CB-CD2 4.37Å; L494-L497 HydrophobicContact CD1-CD1 4.4Å; L494-L497 HydrophobicContact CD1-CD2 4.04Å; L494-L497 WeakPolarHBondContact O-CB 3.19Å; L494-L497 PolarHBondContact O-N 3.09Å; L497-L500 HydrophobicContact CD2-CB 3.95Å; L497-L500 HydrophobicContact CD2-CD1 4.36Å; L497-L500 HydrophobicContact CD2-CD2 4.47Å; L497-L500 HydrophobicContact CD2-CG 4.49Å; L497-L517 HydrophobicContact CB-CD2 4.29Å; L497-L517 HydrophobicContact CD2-CD1 4.06Å; L497-L517 HydrophobicContact CD2-CD2 4.47Å; L497-N519 CarbonylContact O-C 3.47Å; L497-L520 HydrophobicContact CD2-CD1 4.2Å; L497-L520 HydrophobicContact CG-CD1 4.17Å; L497-L520 WeakPolarHBondContact O-CA 3.41Å; L497-L520 PolarHBondContact O-N 3.34Å; L497-L520 VanDerWaalsContact O-N 3.11Å
498	K	98.8	Very high	98.1	Very high	87 Å²	87	43.7 Å²	43.7	38%	0.378	22%	0.216	S	C	.	.			trans	-102.9	-34.5	179.4	-67.5	173.4	-173.8	164	0	112.1	Q475 N496 T521 H522	Q475-K498 HydrophobicContact CB-CD 4.45Å; Q475-K498 WeakPolarHBondContact O-CA 3.14Å; Q475-K498 PolarHBondContact O-N 3.29Å; N496-K498 PolarHBondContact O-N 3.25Å; K498-T521 PolarHBondContact O-N 2.98Å; K498-T521 PolarHBondContact O-OG1 2.97Å; K498-H522 PolarHBondContact O-N 3.11Å
499	K	98.9	Very high	98	Very high	93 Å²	93	52 Å²	52	40%	0.404	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	118.1	-176.6	-61.4	-178.1	-178.2	174	0	109.8	Q475 T476 L477 H522	Q475-K499 PolarHBondContact O-N 3.1Å; T476-K499 WeakPolarHBondContact CA-O 3.36Å; T476-K499 HydrophobicContact CG2-CB 4.32Å; L477-K499 PolarHBondContact N-O 3.31Å; K499-H522 WeakPolarHBondContact CA-O 3.48Å; K499-H522 HydrophobicContact CG-CB 4.23Å
500	L	98.8	Very high	98	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	116.5	170.2	179.1	57.9	0	0	0	108.5	L477 L487 L497 V502 I514 L520 H522 L523 Y524	L477-L500 HydrophobicContact CB-CD1 4.08Å; L477-L500 HydrophobicContact CD2-CD1 3.93Å; L477-L500 HydrophobicContact CG-CD1 4.04Å; L487-L500 HydrophobicContact CD1-CD2 4.12Å; L497-L500 HydrophobicContact CD2-CB 3.95Å; L497-L500 HydrophobicContact CD2-CD1 4.36Å; L497-L500 HydrophobicContact CD2-CD2 4.47Å; L497-L500 HydrophobicContact CD2-CG 4.49Å; L500-V502 HydrophobicContact CD1-CG1 4Å; L500-V502 HydrophobicContact CG-CG1 4.24Å; L500-I514 HydrophobicContact CD2-CD1 3.77Å; L500-L520 HydrophobicContact CB-CD1 3.9Å; L500-H522 PolarHBondContact N-O 2.89Å; L500-L523 HydrophobicContact CB-CD1 3.99Å; L500-L523 HydrophobicContact CD2-CD1 3.88Å; L500-L523 HydrophobicContact CG-CD1 3.99Å; L500-L523 WeakPolarHBondContact O-CA 3.3Å; L500-Y524 PolarHBondContact O-N 3.03Å
501	R	98.9	Very high	98	Very high	66 Å²	66	49 Å²	49	25%	0.249	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	119.2	178.4	-42	174.9	51.8	86.4	1.1	109.1	L477 N478 L479 D480 Y524	L477-R501 PolarHBondContact O-N 3.26Å; N478-R501 HydrophobicContact CB-CB 4.39Å; N478-R501 HydrophobicContact CB-CG 4.48Å; N478-R501 WeakPolarHBondContact OD1-CB 3.39Å; L479-R501 CarbonylContact C-O 3.52Å; L479-R501 WeakPolarHBondContact CA-O 3.22Å; L479-R501 WeakPolarHBondContact CB-O 3.12Å; L479-R501 PolarHBondContact N-O 3.48Å; D480-R501 WeakPolarHBondContact OD1-CA 3.14Å; D480-R501 WeakPolarHBondContact OD1-CB 3.45Å; D480-R501 IonicContact OD2-CZ 3.62Å; D480-R501 IonicContact OD2-NE 3.27Å; D480-R501 PolarHBondContact OD2-NE 2.97Å; D480-R501 IonicContact OD2-NH2 3.12Å; D480-R501 PolarHBondContact OD2-NH2 2.73Å; R501-Y524 HydrophobicContact CB-CD2 4.26Å; R501-Y524 HydrophobicContact CG-CD2 3.74Å; R501-Y524 HydrophobicContact CG-CE2 4.18Å; R501-Y524 HydrophobicContact CG-CG 4.49Å
502	V	98.5	Very high	97.9	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	25%	0.246	C	C	.	.			trans	-140.1	29.9	-179	-70.2	0	0	0	0	110.1	L479 D480 L487 L500 N505 L507 Y524 L525 N528	L479-V502 HydrophobicContact CB-CG1 3.94Å; L479-V502 HydrophobicContact CD1-CG1 3.93Å; D480-V502 PolarHBondContact OD1-N 3.21Å; L487-V502 HydrophobicContact CD1-CG1 4.34Å; L487-V502 HydrophobicContact CD2-CG1 4.05Å; L500-V502 HydrophobicContact CD1-CG1 4Å; L500-V502 HydrophobicContact CG-CG1 4.24Å; V502-N505 PolarHBondContact O-ND2 3.2Å; V502-L507 HydrophobicContact CB-CD1 4.01Å; V502-L507 HydrophobicContact CG2-CD1 3.85Å; V502-Y524 CarbonylContact C-O 3.43Å; V502-Y524 WeakPolarHBondContact CG2-O 3.35Å; V502-Y524 PolarHBondContact N-O 3.04Å; V502-L525 HydrophobicContact CG2-CD2 3.47Å; V502-L525 VanDerWaalsContact CG2-CD2 3.47Å; V502-L525 HydrophobicContact CG2-CG 4.28Å; V502-N528 PolarHBondContact O-ND2 3.02Å
503	K	98.4	Very high	97.9	Very high	65 Å²	65	54.8 Å²	54.8	28%	0.283	26%	0.259	S	S	.	.			trans	-62.9	150.8	177	167.9	172.9	178.1	-97.9	0	110.2	D480 V481 N505 Y524 S526	D480-K503 CarbonylContact C-O 3.38Å; D480-K503 VanDerWaalsContact CA-O 3.3Å; D480-K503 WeakPolarHBondContact CA-O 3.36Å; D480-K503 HydrophobicContact CB-CB 4.45Å; D480-K503 VanDerWaalsContact OD1-CB 3.3Å; D480-K503 WeakPolarHBondContact OD1-CB 3.36Å; D480-K503 PolarHBondContact OD1-N 3.44Å; V481-K503 PolarHBondContact N-O 2.78Å; K503-N505 PolarHBondContact O-N 2.98Å; K503-N505 PolarHBondContact O-ND2 3.07Å; K503-N505 VanDerWaalsContact O-ND2 3.08Å; K503-Y524 PolarHBondContact N-O 3.14Å; K503-S526 CarbonylContact C-O 3.37Å; K503-S526 WeakPolarHBondContact CA-O 3.22Å; K503-S526 WeakPolarHBondContact CG-O 3.16Å
504	E	98.5	Very high	97.9	Very high	79 Å²	79	51.4 Å²	51.4	37%	0.369	24%	0.241	S	C	.	.	S	Bend	trans	53.5	56.2	175.4	-71.8	175.9	-141	0	0	112.5	V481 N482 S526 N527	V481-E504 WeakPolarHBondContact CA-O 3.18Å; V481-E504 HydrophobicContact CG2-CB 4.13Å; N482-E504 PolarHBondContact N-O 2.77Å; E504-S526 PolarHBondContact N-O 3.15Å; E504-N527 HydrophobicContact CB-CB 4.41Å; E504-N527 HydrophobicContact CG-CB 3.51Å; E504-N527 WeakPolarHBondContact CG-ND2 3.24Å; E504-N527 PolarHBondContact OE1-ND2 2.89Å
505	N	98.7	Very high	97.8	Very high	6 Å²	6	51.6 Å²	51.6	3%	0.032	24%	0.243	C	C	.	.	S	Bend	trans	-125.2	-169.7	173.9	-87.4	-84.6	0	0	0	110.1	L479 N482 K483 L484 V502 K503 L507 N528	L479-N505 PolarHBondContact O-ND2 3.05Å; N482-N505 WeakPolarHBondContact CA-OD1 3.44Å; N482-N505 WeakPolarHBondContact CB-OD1 3.42Å; N482-N505 PolarHBondContact O-OD1 3.07Å; K483-N505 PolarHBondContact N-OD1 2.59Å; L484-N505 HydrophobicContact CB-CB 4.3Å; L484-N505 VanDerWaalsContact CB-OD1 3.24Å; L484-N505 WeakPolarHBondContact CB-OD1 3.43Å; L484-N505 WeakPolarHBondContact CG-OD1 3.47Å; L484-N505 PolarHBondContact N-OD1 3.16Å; V502-N505 PolarHBondContact O-ND2 3.2Å; K503-N505 PolarHBondContact O-N 2.98Å; K503-N505 PolarHBondContact O-ND2 3.07Å; K503-N505 VanDerWaalsContact O-ND2 3.08Å; N505-L507 HydrophobicContact CB-CG 4.27Å; N505-N528 WeakPolarHBondContact CA-OD1 3.37Å; N505-N528 WeakPolarHBondContact CB-OD1 3.16Å; N505-N528 PolarHBondContact O-OD1 3.04Å
506	L	98.1	Very high	97.9	Very high	94 Å²	94	52.7 Å²	52.7	49%	0.492	24%	0.243	S	C	.	.			trans	-113.2	28.2	-179.6	-58.5	175.5	0	0	0	111.9	L484 S485 Q508 N528	L484-L506 CarbonylContact O-C 3.4Å; L484-L506 WeakPolarHBondContact O-CA 3.43Å; L484-L506 WeakPolarHBondContact O-CB 3.21Å; L484-L506 PolarHBondContact O-N 3.27Å; S485-L506 WeakPolarHBondContact CA-O 3.39Å; L506-Q508 PolarHBondContact O-N 2.96Å; L506-N528 PolarHBondContact N-OD1 3.28Å
507	L	98.2	Very high	97.9	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	23%	0.228	C	C	.	.			trans	-61.1	125.2	-173.1	-65.2	176.8	0	0	0	110.7	L484 S485 L487 V502 N505 L510 L525 N528 P530 L531	L484-L507 HydrophobicContact CB-CD2 4.06Å; L484-L507 PolarHBondContact O-N 3.49Å; L484-L507 VanDerWaalsContact O-N 3.1Å; S485-L507 WeakPolarHBondContact O-CA 3.23Å; L487-L507 HydrophobicContact CG-CD2 4.26Å; V502-L507 HydrophobicContact CB-CD1 4.01Å; V502-L507 HydrophobicContact CG2-CD1 3.85Å; N505-L507 HydrophobicContact CB-CG 4.27Å; L507-L510 HydrophobicContact CD1-CD2 4.08Å; L507-L525 HydrophobicContact CD1-CD2 4.08Å; L507-N528 HydrophobicContact CB-CB 4.21Å; L507-N528 VanDerWaalsContact CB-OD1 3.26Å; L507-N528 WeakPolarHBondContact CB-OD1 3.4Å; L507-N528 VanDerWaalsContact CG-OD1 3.29Å; L507-N528 WeakPolarHBondContact CG-OD1 3.12Å; L507-N528 PolarHBondContact N-OD1 3.1Å; L507-P530 CarbonylContact O-C 3.57Å; L507-L531 VanDerWaalsContact O-CA 3.29Å; L507-L531 WeakPolarHBondContact O-CA 3.44Å; L507-L531 WeakPolarHBondContact O-CB 3.24Å; L507-L531 PolarHBondContact O-N 3.14Å
508	Q	96.5	Very high	97.7	Very high	122 Å²	122	56.4 Å²	56.4	57%	0.57	26%	0.259	S	S	*	.	S	Bend	trans	-87.8	-33.5	174.6	-62.5	176.9	16.7	0	0	111.8	S485 L506 P530	S485-Q508 PolarHBondContact O-N 3.2Å; L506-Q508 PolarHBondContact O-N 2.96Å; Q508-P530 HydrophobicContact CG-CB 4.16Å
509	R	96	Very high	97.7	Very high	176 Å²	176	55.7 Å²	55.7	66%	0.664	26%	0.259	S	S	*	.	B	Isolated β-bridge	trans	-155.2	158.7	-179.6	55.6	178.9	156.4	176.3	-5.9	110.7
510	L	97.6	Very high	97.6	Very high	5 Å²	5	51.2 Å²	51.2	3%	0.026	24%	0.24	C	C	.	.			trans	-96	145.4	162.9	-62.3	178.4	0	0	0	110.2	L487 L507 L525 L534 P535	L487-L510 HydrophobicContact CD1-CD2 3.92Å; L507-L510 HydrophobicContact CD1-CD2 4.08Å; L510-L525 HydrophobicContact CD1-CD1 3.77Å; L510-L525 HydrophobicContact CD1-CD2 3.87Å; L510-L525 HydrophobicContact CD1-CG 4.47Å; L510-L525 HydrophobicContact CD2-CD2 3.72Å; L510-L525 HydrophobicContact CG-CD2 4.2Å; L510-L534 HydrophobicContact CD1-CD2 3.93Å; L510-P535 HydrophobicContact CB-CG 3.95Å
511	P	97.5	Very high	97.6	Very high	15 Å²	15	52.4 Å²	52.4	10%	0.097	25%	0.247	C	C	.	.			trans	-67.6	143.3	173.1	28.4	-33.6	0	0	0	110.9	L487 I491 E513 I514	L487-P511 HydrophobicContact CB-CG 4.19Å; I491-P511 HydrophobicContact CG2-CG 3.75Å; P511-E513 WeakPolarHBondContact CB-OE2 3.21Å; P511-E513 PolarHBondContact O-N 3.01Å; P511-E513 VanDerWaalsContact O-N 3.15Å; P511-I514 WeakPolarHBondContact O-CB 3.35Å; P511-I514 VanDerWaalsContact O-CG2 3.25Å; P511-I514 WeakPolarHBondContact O-CG2 3.48Å; P511-I514 PolarHBondContact O-N 3.43Å
512	P	97.2	Very high	97.6	Very high	66 Å²	66	51.7 Å²	51.7	43%	0.429	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-52	-32.8	173.6	-29.6	37.7	0	0	0	113.6	I514 G515 E537	P512-I514 PolarHBondContact O-N 3.43Å; P512-G515 PolarHBondContact O-N 3.43Å; P512-E537 HydrophobicContact CB-CG 4.09Å; P512-E537 WeakPolarHBondContact O-CB 3.38Å
513	E	97.8	Very high	97.6	Very high	57 Å²	57	51.7 Å²	51.7	27%	0.266	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-61.6	-13.7	178.9	-64.9	82.6	177.3	0	0	113.8	S489 G492 P511 G515 K516	S489-E513 WeakPolarHBondContact O-CB 3.31Å; S489-E513 WeakPolarHBondContact O-CG 3.47Å; G492-E513 VanDerWaalsContact CA-O 3.22Å; G492-E513 WeakPolarHBondContact CA-O 3.31Å; P511-E513 WeakPolarHBondContact CB-OE2 3.21Å; P511-E513 PolarHBondContact O-N 3.01Å; P511-E513 VanDerWaalsContact O-N 3.15Å; E513-G515 PolarHBondContact O-N 3.19Å; E513-G515 VanDerWaalsContact O-N 3.14Å; E513-K516 HydrophobicContact CB-CD 4.35Å; E513-K516 HydrophobicContact CG-CD 4.48Å; E513-K516 VanDerWaalsContact O-CB 3.31Å; E513-K516 WeakPolarHBondContact O-CB 3.29Å; E513-K516 PolarHBondContact O-N 3.5Å
514	I	97.4	Very high	97.6	Very high	0 Å²	0	51 Å²	51	0%	0	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-54.4	-30.6	170.5	-159.7	77.7	0	0	0	111.7	I491 L500 P511 P512 K516 L517 P535 L538 L541	I491-I514 HydrophobicContact CG2-CD1 4.42Å; L500-I514 HydrophobicContact CD2-CD1 3.77Å; P511-I514 WeakPolarHBondContact O-CB 3.35Å; P511-I514 VanDerWaalsContact O-CG2 3.25Å; P511-I514 WeakPolarHBondContact O-CG2 3.48Å; P511-I514 PolarHBondContact O-N 3.43Å; P512-I514 PolarHBondContact O-N 3.43Å; I514-K516 PolarHBondContact O-N 2.96Å; I514-L517 HydrophobicContact CD1-CD1 3.54Å; I514-L517 HydrophobicContact CG1-CD1 4.14Å; I514-L517 WeakPolarHBondContact O-CB 3.45Å; I514-L517 WeakPolarHBondContact O-CG 3.2Å; I514-L517 PolarHBondContact O-N 3.41Å; I514-P535 HydrophobicContact CG2-CG 3.78Å; I514-L538 HydrophobicContact CG1-CD1 4.23Å; I514-L538 HydrophobicContact CG2-CD1 3.94Å; I514-L541 WeakPolarHBondContact O-CD2 3.31Å
515	G	96.3	Very high	97.6	Very high	4 Å²	4	47.2 Å²	47.2	4%	0.041	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-66.9	-13	177.6	0	0	0	0	0	114.7	P512 E513 L517 E537	P512-G515 PolarHBondContact O-N 3.43Å; E513-G515 PolarHBondContact O-N 3.19Å; E513-G515 VanDerWaalsContact O-N 3.14Å; G515-L517 VanDerWaalsContact C-N 3.32Å; G515-E537 WeakPolarHBondContact CA-O 3.46Å
516	K	97	Very high	97.5	Very high	111 Å²	111	47.7 Å²	47.7	48%	0.483	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-80.7	-10	175.9	-61	179.4	178.6	175.7	0	113.4	G492 E513 I514 E518	G492-K516 WeakPolarHBondContact O-CB 3.42Å; E513-K516 HydrophobicContact CB-CD 4.35Å; E513-K516 HydrophobicContact CG-CD 4.48Å; E513-K516 VanDerWaalsContact O-CB 3.31Å; E513-K516 WeakPolarHBondContact O-CB 3.29Å; E513-K516 PolarHBondContact O-N 3.5Å; I514-K516 PolarHBondContact O-N 2.96Å; K516-E518 PolarHBondContact O-N 3.47Å
517	L	97.8	Very high	97.5	Very high	1 Å²	1	46.4 Å²	46.4	1%	0.005	22%	0.222	C	C	.	.			trans	-78.5	65.8	-177.8	-61.5	177.3	0	0	0	112.1	I491 L494 L497 I514 G515 N519 L520 L541	I491-L517 WeakPolarHBondContact O-CD2 3.3Å; L494-L517 HydrophobicContact CB-CD2 3.96Å; L494-L517 VanDerWaalsContact O-CD2 3.27Å; L494-L517 WeakPolarHBondContact O-CD2 3.14Å; L497-L517 HydrophobicContact CB-CD2 4.29Å; L497-L517 HydrophobicContact CD2-CD1 4.06Å; L497-L517 HydrophobicContact CD2-CD2 4.47Å; I514-L517 HydrophobicContact CD1-CD1 3.54Å; I514-L517 HydrophobicContact CG1-CD1 4.14Å; I514-L517 WeakPolarHBondContact O-CB 3.45Å; I514-L517 WeakPolarHBondContact O-CG 3.2Å; I514-L517 PolarHBondContact O-N 3.41Å; G515-L517 VanDerWaalsContact C-N 3.32Å; L517-N519 PolarHBondContact O-N 3.06Å; L517-L520 HydrophobicContact CB-CB 3.88Å; L517-L520 HydrophobicContact CB-CD2 4.46Å; L517-L520 HydrophobicContact CD1-CD2 4.08Å; L517-L520 VanDerWaalsContact O-CB 3.24Å; L517-L520 WeakPolarHBondContact O-CB 3.34Å; L517-L520 PolarHBondContact O-N 3.45Å; L517-L541 HydrophobicContact CB-CD2 4.12Å; L517-L541 VanDerWaalsContact O-CD2 3.24Å; L517-L541 WeakPolarHBondContact O-CD2 3.41Å
518	E	95	Very high	97.5	Very high	138 Å²	138	46.4 Å²	46.4	65%	0.645	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-28.1	-171.6	-64.8	-179.5	179.5	0	0	114.5	K516 S543	K516-E518 PolarHBondContact O-N 3.47Å; E518-S543 WeakPolarHBondContact O-CB 3.39Å; E518-S543 PolarHBondContact O-OG 3.46Å
519	N	98	Very high	97.4	Very high	71 Å²	71	47.9 Å²	47.9	38%	0.38	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	0.8	178.8	-71.9	-63.1	0	0	0	114.3	N495 L497 L517 T521	N495-N519 PolarHBondContact O-ND2 3.31Å; L497-N519 CarbonylContact O-C 3.47Å; L517-N519 PolarHBondContact O-N 3.06Å; N519-T521 PolarHBondContact O-N 3.38Å
520	L	98.5	Very high	97.5	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.209	C	C	.	.			trans	-68.8	119.2	-176.7	-165.4	70.5	0	0	0	110.6	L497 L500 L517 L523 L541 S543 L544	L497-L520 HydrophobicContact CD2-CD1 4.2Å; L497-L520 HydrophobicContact CG-CD1 4.17Å; L497-L520 WeakPolarHBondContact O-CA 3.41Å; L497-L520 PolarHBondContact O-N 3.34Å; L497-L520 VanDerWaalsContact O-N 3.11Å; L500-L520 HydrophobicContact CB-CD1 3.9Å; L517-L520 HydrophobicContact CB-CB 3.88Å; L517-L520 HydrophobicContact CB-CD2 4.46Å; L517-L520 HydrophobicContact CD1-CD2 4.08Å; L517-L520 VanDerWaalsContact O-CB 3.24Å; L517-L520 WeakPolarHBondContact O-CB 3.34Å; L517-L520 PolarHBondContact O-N 3.45Å; L520-L523 HydrophobicContact CD2-CB 4.08Å; L520-L523 HydrophobicContact CD2-CD1 4.45Å; L520-L523 HydrophobicContact CD2-CD2 4.34Å; L520-L541 HydrophobicContact CD2-CD1 3.85Å; L520-S543 CarbonylContact O-C 3.53Å; L520-L544 HydrophobicContact CD2-CD1 4.33Å; L520-L544 HydrophobicContact CG-CD1 4.31Å; L520-L544 VanDerWaalsContact O-CA 3.25Å; L520-L544 WeakPolarHBondContact O-CA 3.31Å; L520-L544 PolarHBondContact O-N 3.31Å; L520-L544 VanDerWaalsContact O-N 3.16Å
521	T	98.4	Very high	97.4	Very high	25 Å²	25	41.4 Å²	41.4	15%	0.153	21%	0.207	C	C	.	.			trans	-107.5	-31.1	-179.2	58.3	0	0	0	0	112.3	K498 N519 R545 F546	K498-T521 PolarHBondContact O-N 2.98Å; K498-T521 PolarHBondContact O-OG1 2.97Å; N519-T521 PolarHBondContact O-N 3.38Å; T521-R545 WeakPolarHBondContact O-CA 3.25Å; T521-R545 PolarHBondContact O-N 3.13Å; T521-F546 PolarHBondContact O-N 3.22Å
522	H	98.6	Very high	97.3	Very high	51 Å²	51	42.1 Å²	42.1	24%	0.236	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	122.1	-178.9	-57.1	69.7	0	0	0	110.5	K498 K499 L500 Y524 F546	K498-H522 PolarHBondContact O-N 3.11Å; K499-H522 WeakPolarHBondContact CA-O 3.48Å; K499-H522 HydrophobicContact CG-CB 4.23Å; L500-H522 PolarHBondContact N-O 2.89Å; H522-Y524 HydrophobicContact CB-CD2 4.35Å; H522-Y524 HydrophobicContact CB-CE2 3.55Å; H522-Y524 PolarHBondContact CD2-OH 3.26Å; H522-F546 WeakPolarHBondContact CA-O 3.33Å; H522-F546 HydrophobicContact CB-CB 4.33Å
523	L	98.4	Very high	97.1	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	116.8	174.8	179.2	54.9	0	0	0	109.4	L500 L520 L525 L538 L544 F546 L547 G548	L500-L523 HydrophobicContact CB-CD1 3.99Å; L500-L523 HydrophobicContact CD2-CD1 3.88Å; L500-L523 HydrophobicContact CG-CD1 3.99Å; L500-L523 WeakPolarHBondContact O-CA 3.3Å; L520-L523 HydrophobicContact CD2-CB 4.08Å; L520-L523 HydrophobicContact CD2-CD1 4.45Å; L520-L523 HydrophobicContact CD2-CD2 4.34Å; L523-L525 HydrophobicContact CD1-CD2 4.37Å; L523-L525 HydrophobicContact CD1-CG 4.15Å; L523-L525 HydrophobicContact CD2-CD1 3.89Å; L523-L525 HydrophobicContact CD2-CG 4.42Å; L523-L525 HydrophobicContact CG-CD1 3.93Å; L523-L525 HydrophobicContact CG-CG 3.98Å; L523-L538 HydrophobicContact CD2-CD1 3.67Å; L523-L544 HydrophobicContact CB-CD1 3.96Å; L523-F546 PolarHBondContact N-O 3.18Å; L523-L547 HydrophobicContact CB-CD1 4.21Å; L523-L547 HydrophobicContact CD2-CD1 3.99Å; L523-L547 HydrophobicContact CG-CD1 4.06Å; L523-L547 CarbonylContact O-C 3.52Å; L523-L547 WeakPolarHBondContact O-CA 3.15Å; L523-G548 PolarHBondContact O-N 3.04Å
524	Y	98.3	Very high	97	Very high	50 Å²	50	40 Å²	40	20%	0.196	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	106.7	179.5	-56	-98.9	0	0	0	109.8	L500 R501 V502 K503 H522 F546	L500-Y524 PolarHBondContact O-N 3.03Å; R501-Y524 HydrophobicContact CB-CD2 4.26Å; R501-Y524 HydrophobicContact CG-CD2 3.74Å; R501-Y524 HydrophobicContact CG-CE2 4.18Å; R501-Y524 HydrophobicContact CG-CG 4.49Å; V502-Y524 CarbonylContact C-O 3.43Å; V502-Y524 WeakPolarHBondContact CG2-O 3.35Å; V502-Y524 PolarHBondContact N-O 3.04Å; K503-Y524 PolarHBondContact N-O 3.14Å; H522-Y524 HydrophobicContact CB-CD2 4.35Å; H522-Y524 HydrophobicContact CB-CE2 3.55Å; H522-Y524 PolarHBondContact CD2-OH 3.26Å; Y524-F546 HydrophobicContact CD1-CD1 4.01Å; Y524-F546 AromaticContact CD1-CE1 3.44Å; Y524-F546 HydrophobicContact CD1-CE1 3.44Å; Y524-F546 VanDerWaalsContact CD1-CE1 3.44Å; Y524-F546 HydrophobicContact CD1-CZ 4.33Å; Y524-F546 AromaticContact CE1-CD1 3.66Å; Y524-F546 HydrophobicContact CE1-CD1 3.66Å; Y524-F546 AromaticContact CE1-CE1 3.3Å; Y524-F546 HydrophobicContact CE1-CE1 3.3Å; Y524-F546 HydrophobicContact CE1-CZ 4.04Å; Y524-F546 HydrophobicContact CG-CE1 4.27Å; Y524-F546 AromaticContact CZ-CD1 3.95Å
525	L	97.8	Very high	96.9	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.202	C	C	.	.			trans	-113	0.9	179.5	-65.2	158.7	0	0	0	113	V502 L507 L510 L523 N528 L531 L534 L547 G548 I549 C552	V502-L525 HydrophobicContact CG2-CD2 3.47Å; V502-L525 VanDerWaalsContact CG2-CD2 3.47Å; V502-L525 HydrophobicContact CG2-CG 4.28Å; L507-L525 HydrophobicContact CD1-CD2 4.08Å; L510-L525 HydrophobicContact CD1-CD1 3.77Å; L510-L525 HydrophobicContact CD1-CD2 3.87Å; L510-L525 HydrophobicContact CD1-CG 4.47Å; L510-L525 HydrophobicContact CD2-CD2 3.72Å; L510-L525 HydrophobicContact CG-CD2 4.2Å; L523-L525 HydrophobicContact CD1-CD2 4.37Å; L523-L525 HydrophobicContact CD1-CG 4.15Å; L523-L525 HydrophobicContact CD2-CD1 3.89Å; L523-L525 HydrophobicContact CD2-CG 4.42Å; L523-L525 HydrophobicContact CG-CD1 3.93Å; L523-L525 HydrophobicContact CG-CG 3.98Å; L525-N528 PolarHBondContact O-N 3.41Å; L525-N528 PolarHBondContact O-ND2 3.38Å; L525-L531 HydrophobicContact CB-CD2 4.45Å; L525-L531 HydrophobicContact CD2-CD2 4.38Å; L525-L534 HydrophobicContact CD1-CD2 4.01Å; L525-L547 HydrophobicContact CD1-CD1 3.84Å; L525-G548 CarbonylContact C-O 3.01Å; L525-G548 VanDerWaalsContact CA-O 3.28Å; L525-G548 WeakPolarHBondContact CA-O 3.46Å; L525-G548 VanDerWaalsContact CB-O 3.29Å; L525-G548 WeakPolarHBondContact CB-O 3.28Å; L525-G548 PolarHBondContact N-O 3.44Å; L525-I549 HydrophobicContact CB-CG2 4.4Å; L525-I549 HydrophobicContact CD1-CG2 4.14Å; L525-C552 PolarHBondContact O-SG 3.39Å
526	S	97.3	Very high	96.8	Very high	16 Å²	16	42.4 Å²	42.4	11%	0.112	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.7	148.1	-173.1	-58.9	0	0	0	0	112.4	K503 E504 N528 G548 D550	K503-S526 CarbonylContact C-O 3.37Å; K503-S526 WeakPolarHBondContact CA-O 3.22Å; K503-S526 WeakPolarHBondContact CG-O 3.16Å; E504-S526 PolarHBondContact N-O 3.15Å; S526-N528 VanDerWaalsContact C-N 3.28Å; S526-N528 PolarHBondContact O-N 3.29Å; S526-G548 PolarHBondContact N-O 3.02Å; S526-G548 VanDerWaalsContact N-O 3.16Å; S526-D550 CarbonylContact C-O 3.16Å; S526-D550 WeakPolarHBondContact CA-O 3.15Å; S526-D550 VanDerWaalsContact CB-O 3.27Å; S526-D550 WeakPolarHBondContact CB-O 3.27Å
527	N	97.8	Very high	96.8	Very high	67 Å²	67	39.8 Å²	39.8	36%	0.358	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.5	28.3	179.3	-58.2	-30.2	0	0	0	115.1	E504 K529 D550	E504-N527 HydrophobicContact CB-CB 4.41Å; E504-N527 HydrophobicContact CG-CB 3.51Å; E504-N527 WeakPolarHBondContact CG-ND2 3.24Å; E504-N527 PolarHBondContact OE1-ND2 2.89Å; N527-K529 PolarHBondContact O-N 3.44Å; N527-D550 PolarHBondContact N-O 2.95Å
528	N	97.9	Very high	96.6	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.199	C	C	.	.			trans	-91.7	78.4	163.2	-78.3	-81.4	0	0	0	109.9	V502 N505 L506 L507 L525 S526 P530 L531	V502-N528 PolarHBondContact O-ND2 3.02Å; N505-N528 WeakPolarHBondContact CA-OD1 3.37Å; N505-N528 WeakPolarHBondContact CB-OD1 3.16Å; N505-N528 PolarHBondContact O-OD1 3.04Å; L506-N528 PolarHBondContact N-OD1 3.28Å; L507-N528 HydrophobicContact CB-CB 4.21Å; L507-N528 VanDerWaalsContact CB-OD1 3.26Å; L507-N528 WeakPolarHBondContact CB-OD1 3.4Å; L507-N528 VanDerWaalsContact CG-OD1 3.29Å; L507-N528 WeakPolarHBondContact CG-OD1 3.12Å; L507-N528 PolarHBondContact N-OD1 3.1Å; L525-N528 PolarHBondContact O-N 3.41Å; L525-N528 PolarHBondContact O-ND2 3.38Å; S526-N528 VanDerWaalsContact C-N 3.28Å; S526-N528 PolarHBondContact O-N 3.29Å; N528-P530 VanDerWaalsContact C-CD 3.43Å; N528-P530 VanDerWaalsContact C-N 3.34Å; N528-L531 HydrophobicContact CB-CB 3.97Å; N528-L531 HydrophobicContact CB-CD2 4.38Å; N528-L531 WeakPolarHBondContact O-CB 3.12Å; N528-L531 PolarHBondContact O-N 3.19Å
529	K	95.7	Very high	96.5	Very high	152 Å²	152	33.4 Å²	33.4	66%	0.661	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-39.3	-176	-64.6	-179.5	-179.4	176.9	0	114.4	N527 L531 S553	N527-K529 PolarHBondContact O-N 3.44Å; K529-L531 PolarHBondContact O-N 3.16Å; K529-S553 WeakPolarHBondContact O-CB 3.18Å; K529-S553 PolarHBondContact O-OG 3.1Å
530	P	96.8	Very high	96.3	Very high	45 Å²	45	34.9 Å²	34.9	29%	0.292	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-9.9	178.4	-19.4	34.3	0	0	0	114.7	L507 Q508 N528 D532	L507-P530 CarbonylContact O-C 3.57Å; Q508-P530 HydrophobicContact CG-CB 4.16Å; N528-P530 VanDerWaalsContact C-CD 3.43Å; N528-P530 VanDerWaalsContact C-N 3.34Å; P530-D532 PolarHBondContact O-N 3.49Å; P530-D532 VanDerWaalsContact O-N 3.16Å
531	L	96.6	Very high	96.2	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.176	C	C	.	.			trans	-73.4	108.3	-174.9	-174.6	60.4	0	0	0	110.5	L507 L525 N528 K529 L534 C552 S553 L554	L507-L531 VanDerWaalsContact O-CA 3.29Å; L507-L531 WeakPolarHBondContact O-CA 3.44Å; L507-L531 WeakPolarHBondContact O-CB 3.24Å; L507-L531 PolarHBondContact O-N 3.14Å; L525-L531 HydrophobicContact CB-CD2 4.45Å; L525-L531 HydrophobicContact CD2-CD2 4.38Å; N528-L531 HydrophobicContact CB-CB 3.97Å; N528-L531 HydrophobicContact CB-CD2 4.38Å; N528-L531 WeakPolarHBondContact O-CB 3.12Å; N528-L531 PolarHBondContact O-N 3.19Å; K529-L531 PolarHBondContact O-N 3.16Å; L531-L534 HydrophobicContact CD2-CD2 3.98Å; L531-C552 HydrophobicContact CB-CB 4.38Å; L531-C552 HydrophobicContact CD2-CB 4.47Å; L531-S553 PolarHBondContact O-N 3.15Å; L531-L554 HydrophobicContact CG-CD2 4.23Å; L531-L554 PolarHBondContact O-N 3.3Å
532	D	94.1	Very high	95.8	Very high	31 Å²	31	38.2 Å²	38.2	17%	0.166	20%	0.2	C	C	.	.			trans	-103.5	-21.3	-172.2	-79.7	-16.8	0	0	0	114.7	P530 L554 R555 Q556	P530-D532 PolarHBondContact O-N 3.49Å; P530-D532 VanDerWaalsContact O-N 3.16Å; D532-L554 CarbonylContact O-C 3.14Å; D532-L554 VanDerWaalsContact O-CA 3.28Å; D532-L554 WeakPolarHBondContact O-CA 3.31Å; D532-R555 VanDerWaalsContact CG-CZ 3.47Å; D532-R555 PolarHBondContact O-N 3.3Å; D532-R555 IonicContact OD1-CZ 3.88Å; D532-R555 IonicContact OD1-NE 3.53Å; D532-R555 PolarHBondContact OD1-NE 3.28Å; D532-R555 IonicContact OD1-NH1 3.49Å; D532-R555 PolarHBondContact OD1-NH1 3.38Å; D532-R555 IonicContact OD1-NH2 3.07Å; D532-R555 PolarHBondContact OD1-NH2 2.81Å; D532-R555 IonicContact OD2-CZ 2.62Å; D532-R555 VanDerWaalsContact OD2-CZ 3.31Å; D532-R555 IonicContact OD2-NE 2.98Å; D532-R555 PolarHBondContact OD2-NE 2.82Å; D532-R555 IonicContact OD2-NH2 3.83Å; D532-R555 PolarHBondContact OD2-NH2 2.75Å; D532-Q556 HydrophobicContact CB-CG 4.41Å; D532-Q556 WeakPolarHBondContact O-CB 3.38Å; D532-Q556 PolarHBondContact O-N 2.87Å
533	L	93.8	Very high	95.7	Very high	74 Å²	74	37.9 Å²	37.9	39%	0.387	20%	0.204	S	C	.	.	B	Isolated β-bridge	trans	-148.4	143.3	-178.2	-175.7	62.5	0	0	0	110.4	Q556 M557	L533-Q556 HydrophobicContact CB-CB 4.17Å; L533-Q556 HydrophobicContact CD1-CB 4.08Å; L533-M557 HydrophobicContact CD1-CG 3.96Å
534	L	95.7	Very high	95.6	Very high	3 Å²	3	39 Å²	39	2%	0.016	21%	0.21	C	C	.	.			trans	-100.8	138.3	166.9	-62.9	173.8	0	0	0	109.5	L510 L525 L531 L538 I549 L554 M557 V569 L573	L510-L534 HydrophobicContact CD1-CD2 3.93Å; L525-L534 HydrophobicContact CD1-CD2 4.01Å; L531-L534 HydrophobicContact CD2-CD2 3.98Å; L534-L538 HydrophobicContact CB-CD2 4.23Å; L534-L538 HydrophobicContact CD1-CD2 3.99Å; L534-L538 HydrophobicContact CD2-CD2 4.41Å; L534-L538 HydrophobicContact CG-CD2 4.44Å; L534-I549 HydrophobicContact CD1-CG2 4.35Å; L534-L554 HydrophobicContact CD1-CD2 4.38Å; L534-L554 HydrophobicContact CD2-CD2 4.4Å; L534-L554 HydrophobicContact CG-CD2 3.92Å; L534-M557 HydrophobicContact CB-SD 4.23Å; L534-M557 HydrophobicContact CD1-SD 4.23Å; L534-M557 HydrophobicContact CG-SD 4.23Å; L534-V569 HydrophobicContact CD1-CG1 3.65Å; L534-L573 HydrophobicContact CB-CD1 4.08Å; L534-L573 HydrophobicContact CD1-CD1 4.47Å
535	P	95.4	Very high	95.4	Very high	16 Å²	16	46.7 Å²	46.7	10%	0.104	24%	0.239	C	C	.	.			trans	-64.2	146.2	178.1	26.2	-33.4	0	0	0	111.5	L510 I514 E537 L538	L510-P535 HydrophobicContact CB-CG 3.95Å; I514-P535 HydrophobicContact CG2-CG 3.78Å; P535-E537 VanDerWaalsContact CB-OE2 3.31Å; P535-E537 WeakPolarHBondContact CB-OE2 3.29Å; P535-E537 PolarHBondContact O-N 2.84Å; P535-L538 HydrophobicContact CG-CB 4.49Å; P535-L538 VanDerWaalsContact O-CB 3.24Å; P535-L538 WeakPolarHBondContact O-CB 3.13Å; P535-L538 PolarHBondContact O-N 3.48Å
536	I	94.4	Very high	95.4	Very high	39 Å²	39	51 Å²	51	20%	0.2	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-60.9	-31.3	178.7	-167.2	175.8	0	0	0	111.6	L538 G539 L576 L577 H580	I536-L538 PolarHBondContact O-N 3.29Å; I536-G539 PolarHBondContact O-N 3.12Å; I536-L576 HydrophobicContact CD1-CB 3.62Å; I536-L576 HydrophobicContact CG1-CB 3.84Å; I536-L577 HydrophobicContact CD1-CB 4.35Å; I536-L577 HydrophobicContact CD1-CD1 4.41Å; I536-L577 HydrophobicContact CG1-CB 3.98Å; I536-L577 HydrophobicContact CG1-CD1 4.12Å; I536-L577 HydrophobicContact CG2-CD1 4.5Å; I536-H580 HydrophobicContact CD1-CB 4.01Å
537	E	95.8	Very high	95.4	Very high	56 Å²	56	50.7 Å²	50.7	26%	0.262	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-62.5	-21.6	176.9	-63.1	79.5	-175.4	0	0	112.5	P512 G515 P535 G539 M540	P512-E537 HydrophobicContact CB-CG 4.09Å; P512-E537 WeakPolarHBondContact O-CB 3.38Å; G515-E537 WeakPolarHBondContact CA-O 3.46Å; P535-E537 VanDerWaalsContact CB-OE2 3.31Å; P535-E537 WeakPolarHBondContact CB-OE2 3.29Å; P535-E537 PolarHBondContact O-N 2.84Å; E537-G539 PolarHBondContact O-N 3.06Å; E537-G539 VanDerWaalsContact O-N 3.16Å; E537-M540 HydrophobicContact CB-SD 4.02Å; E537-M540 HydrophobicContact CG-SD 4.16Å; E537-M540 WeakPolarHBondContact O-CB 3.49Å; E537-M540 WeakPolarHBondContact O-CG 3.42Å; E537-M540 PolarHBondContact O-N 3.49Å
538	L	95	Very high	95.3	Very high	1 Å²	1	47.6 Å²	47.6	1%	0.005	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-60.3	-25.7	171.7	-166.7	74.3	0	0	0	111.6	I514 L523 L534 P535 I536 M540 L541 L547 I570 L573	I514-L538 HydrophobicContact CG1-CD1 4.23Å; I514-L538 HydrophobicContact CG2-CD1 3.94Å; L523-L538 HydrophobicContact CD2-CD1 3.67Å; L534-L538 HydrophobicContact CB-CD2 4.23Å; L534-L538 HydrophobicContact CD1-CD2 3.99Å; L534-L538 HydrophobicContact CD2-CD2 4.41Å; L534-L538 HydrophobicContact CG-CD2 4.44Å; P535-L538 HydrophobicContact CG-CB 4.49Å; P535-L538 VanDerWaalsContact O-CB 3.24Å; P535-L538 WeakPolarHBondContact O-CB 3.13Å; P535-L538 PolarHBondContact O-N 3.48Å; I536-L538 PolarHBondContact O-N 3.29Å; L538-M540 PolarHBondContact O-N 2.97Å; L538-L541 HydrophobicContact CD1-CD1 3.56Å; L538-L541 HydrophobicContact CD1-CG 4.47Å; L538-L541 HydrophobicContact CG-CD1 4.34Å; L538-L541 PolarHBondContact O-N 3.34Å; L538-L547 HydrophobicContact CD2-CD2 4.42Å; L538-I570 HydrophobicContact CD2-CD1 4.13Å; L538-I570 HydrophobicContact CG-CD1 4.21Å; L538-L573 HydrophobicContact CB-CD1 4.08Å; L538-L573 HydrophobicContact CD2-CD1 4Å
539	G	92.9	Very high	95.1	Very high	5 Å²	5	48.1 Å²	48.1	5%	0.052	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-63.6	-21.1	171.5	0	0	0	0	0	114.1	I536 E537 L541 R574	I536-G539 PolarHBondContact O-N 3.12Å; E537-G539 PolarHBondContact O-N 3.06Å; E537-G539 VanDerWaalsContact O-N 3.16Å; G539-L541 VanDerWaalsContact C-N 3.26Å; G539-L541 PolarHBondContact O-N 3.24Å; G539-R574 VanDerWaalsContact O-CG 3.23Å; G539-R574 WeakPolarHBondContact O-CG 3.21Å; G539-R574 PolarHBondContact O-NE 3.1Å
540	M	93.8	Very high	95	Very high	101 Å²	101	46.7 Å²	46.7	50%	0.498	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-72.2	-17.2	178.1	-60.3	174.8	64.5	0	0	113.2	E537 L538 S542 L577	E537-M540 HydrophobicContact CB-SD 4.02Å; E537-M540 HydrophobicContact CG-SD 4.16Å; E537-M540 WeakPolarHBondContact O-CB 3.49Å; E537-M540 WeakPolarHBondContact O-CG 3.42Å; E537-M540 PolarHBondContact O-N 3.49Å; L538-M540 PolarHBondContact O-N 2.97Å; M540-S542 PolarHBondContact O-N 2.95Å; M540-L577 HydrophobicContact CG-CD1 4.4Å; M540-L577 HydrophobicContact CG-CD2 3.44Å; M540-L577 VanDerWaalsContact CG-CD2 3.44Å
541	L	95.2	Very high	94.9	Very high	1 Å²	1	46.6 Å²	46.6	1%	0.005	25%	0.248	C	C	.	.			trans	-70.5	93.5	-178.5	-60.7	-175.8	0	0	0	111.3	I514 L517 L520 L538 G539 L544 R574	I514-L541 WeakPolarHBondContact O-CD2 3.31Å; L517-L541 HydrophobicContact CB-CD2 4.12Å; L517-L541 VanDerWaalsContact O-CD2 3.24Å; L517-L541 WeakPolarHBondContact O-CD2 3.41Å; L520-L541 HydrophobicContact CD2-CD1 3.85Å; L538-L541 HydrophobicContact CD1-CD1 3.56Å; L538-L541 HydrophobicContact CD1-CG 4.47Å; L538-L541 HydrophobicContact CG-CD1 4.34Å; L538-L541 PolarHBondContact O-N 3.34Å; G539-L541 VanDerWaalsContact C-N 3.26Å; G539-L541 PolarHBondContact O-N 3.24Å; L541-L544 HydrophobicContact CB-CB 3.91Å; L541-L544 HydrophobicContact CD1-CD1 4.35Å; L541-L544 HydrophobicContact CD1-CD2 4.26Å; L541-R574 PolarHBondContact O-NH2 3.39Å; L541-R574 VanDerWaalsContact O-NH2 3.14Å
542	S	90.9	Very high	94.7	Very high	94 Å²	94	47.6 Å²	47.6	66%	0.657	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72	-31.7	-179.3	57.5	0	0	0	0	112.7	M540	M540-S542 PolarHBondContact O-N 2.95Å
543	S	96.2	Very high	94.6	Very high	44 Å²	44	48.5 Å²	48.5	31%	0.308	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-6.7	-178.9	-61.3	0	0	0	0	114.8	E518 L520 R545	E518-S543 WeakPolarHBondContact O-CB 3.39Å; E518-S543 PolarHBondContact O-OG 3.46Å; L520-S543 CarbonylContact O-C 3.53Å; S543-R545 WeakPolarHBondContact O-CG 3.29Å; S543-R545 PolarHBondContact O-N 3.16Å
544	L	96.4	Very high	94.5	Very high	25 Å²	25	45.4 Å²	45.4	13%	0.131	25%	0.247	C	C	.	.			trans	-67.1	121.3	-172	-166.6	70.8	0	0	0	111.5	L520 L523 L541 L547 I570	L520-L544 HydrophobicContact CD2-CD1 4.33Å; L520-L544 HydrophobicContact CG-CD1 4.31Å; L520-L544 VanDerWaalsContact O-CA 3.25Å; L520-L544 WeakPolarHBondContact O-CA 3.31Å; L520-L544 PolarHBondContact O-N 3.31Å; L520-L544 VanDerWaalsContact O-N 3.16Å; L523-L544 HydrophobicContact CB-CD1 3.96Å; L541-L544 HydrophobicContact CB-CB 3.91Å; L541-L544 HydrophobicContact CD1-CD1 4.35Å; L541-L544 HydrophobicContact CD1-CD2 4.26Å; L544-L547 HydrophobicContact CD2-CB 4.23Å; L544-I570 HydrophobicContact CD2-CD1 3.68Å; L544-I570 HydrophobicContact CD2-CG1 4.25Å
545	R	94.9	Very high	94.3	Very high	211 Å²	211	52.9 Å²	52.9	80%	0.796	28%	0.275	S	S	*	.			trans	-109	-33.6	-179.1	-55.8	-173.9	-178.1	-170.5	-1.7	112.6	T521 S543	T521-R545 WeakPolarHBondContact O-CA 3.25Å; T521-R545 PolarHBondContact O-N 3.13Å; S543-R545 WeakPolarHBondContact O-CG 3.29Å; S543-R545 PolarHBondContact O-N 3.16Å
546	F	96.6	Very high	94.1	Very high	89 Å²	89	58.4 Å²	58.4	39%	0.39	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	129.7	-178.7	-175.5	-87.8	0	0	0	110.4	T521 H522 L523 Y524	T521-F546 PolarHBondContact O-N 3.22Å; H522-F546 WeakPolarHBondContact CA-O 3.33Å; H522-F546 HydrophobicContact CB-CB 4.33Å; L523-F546 PolarHBondContact N-O 3.18Å; Y524-F546 HydrophobicContact CD1-CD1 4.01Å; Y524-F546 AromaticContact CD1-CE1 3.44Å; Y524-F546 HydrophobicContact CD1-CE1 3.44Å; Y524-F546 VanDerWaalsContact CD1-CE1 3.44Å; Y524-F546 HydrophobicContact CD1-CZ 4.33Å; Y524-F546 AromaticContact CE1-CD1 3.66Å; Y524-F546 HydrophobicContact CE1-CD1 3.66Å; Y524-F546 AromaticContact CE1-CE1 3.3Å; Y524-F546 HydrophobicContact CE1-CE1 3.3Å; Y524-F546 HydrophobicContact CE1-CZ 4.04Å; Y524-F546 HydrophobicContact CG-CE1 4.27Å; Y524-F546 AromaticContact CZ-CD1 3.95Å
547	L	96.6	Very high	94	Very high	11 Å²	11	56.9 Å²	56.9	6%	0.058	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	111.5	172.3	170.4	64.1	0	0	0	107.7	L523 L525 L538 L544 I549 S566 V569 I570	L523-L547 HydrophobicContact CB-CD1 4.21Å; L523-L547 HydrophobicContact CD2-CD1 3.99Å; L523-L547 HydrophobicContact CG-CD1 4.06Å; L523-L547 CarbonylContact O-C 3.52Å; L523-L547 WeakPolarHBondContact O-CA 3.15Å; L525-L547 HydrophobicContact CD1-CD1 3.84Å; L538-L547 HydrophobicContact CD2-CD2 4.42Å; L544-L547 HydrophobicContact CD2-CB 4.23Å; L547-I549 HydrophobicContact CD1-CG2 3.75Å; L547-I549 HydrophobicContact CD2-CG2 4.17Å; L547-I549 HydrophobicContact CG-CG2 3.81Å; L547-S566 WeakPolarHBondContact O-CB 3.06Å; L547-S566 PolarHBondContact O-OG 2.85Å; L547-V569 HydrophobicContact CD2-CG1 4.47Å; L547-I570 HydrophobicContact CD2-CD1 3.79Å; L547-I570 HydrophobicContact CD2-CG1 3.8Å
548	G	96	Very high	93.8	Very high	2 Å²	2	56.7 Å²	56.7	2%	0.021	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	115.6	173.9	0	0	0	0	0	110.2	L523 L525 S526	L523-G548 PolarHBondContact O-N 3.04Å; L525-G548 CarbonylContact C-O 3.01Å; L525-G548 VanDerWaalsContact CA-O 3.28Å; L525-G548 WeakPolarHBondContact CA-O 3.46Å; L525-G548 VanDerWaalsContact CB-O 3.29Å; L525-G548 WeakPolarHBondContact CB-O 3.28Å; L525-G548 PolarHBondContact N-O 3.44Å; S526-G548 PolarHBondContact N-O 3.02Å; S526-G548 VanDerWaalsContact N-O 3.16Å
549	I	95	Very high	93.5	Very high	11 Å²	11	60.8 Å²	60.8	6%	0.056	32%	0.32	C	S	.	.			trans	-126.2	5.3	-179	52.2	170.5	0	0	0	112.8	L525 L534 L547 G551 C552 L554 V569	L525-I549 HydrophobicContact CB-CG2 4.4Å; L525-I549 HydrophobicContact CD1-CG2 4.14Å; L534-I549 HydrophobicContact CD1-CG2 4.35Å; L547-I549 HydrophobicContact CD1-CG2 3.75Å; L547-I549 HydrophobicContact CD2-CG2 4.17Å; L547-I549 HydrophobicContact CG-CG2 3.81Å; I549-G551 PolarHBondContact O-N 3.34Å; I549-C552 VanDerWaalsContact O-CB 3.24Å; I549-C552 WeakPolarHBondContact O-CB 3.28Å; I549-C552 PolarHBondContact O-N 2.87Å; I549-C552 PolarHBondContact O-SG 3.33Å; I549-L554 HydrophobicContact CB-CD1 4.4Å; I549-L554 HydrophobicContact CD1-CD1 3.93Å; I549-V569 HydrophobicContact CD1-CB 4.41Å; I549-V569 HydrophobicContact CD1-CG2 3.84Å
550	D	93.3	Very high	93.5	Very high	122 Å²	122	66.1 Å²	66.1	65%	0.652	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	134.2	-179.3	-58.4	-33.7	0	0	0	111	S526 N527 C552	S526-D550 CarbonylContact C-O 3.16Å; S526-D550 WeakPolarHBondContact CA-O 3.15Å; S526-D550 VanDerWaalsContact CB-O 3.27Å; S526-D550 WeakPolarHBondContact CB-O 3.27Å; N527-D550 PolarHBondContact N-O 2.95Å; D550-C552 VanDerWaalsContact C-N 3.29Å; D550-C552 PolarHBondContact O-N 3.08Å
551	G	93.4	Very high	93.4	Very high	43 Å²	43	63 Å²	63	44%	0.443	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.6	10	-176.8	0	0	0	0	0	114.9	I549	I549-G551 PolarHBondContact O-N 3.34Å
552	C	94.1	Very high	93	Very high	21 Å²	21	64.7 Å²	64.7	14%	0.142	34%	0.343	C	S	.	.			trans	-87.3	145.5	163	-56	0	0	0	0	110.3	L525 L531 I549 D550 L554	L525-C552 PolarHBondContact O-SG 3.39Å; L531-C552 HydrophobicContact CB-CB 4.38Å; L531-C552 HydrophobicContact CD2-CB 4.47Å; I549-C552 VanDerWaalsContact O-CB 3.24Å; I549-C552 WeakPolarHBondContact O-CB 3.28Å; I549-C552 PolarHBondContact O-N 2.87Å; I549-C552 PolarHBondContact O-SG 3.33Å; D550-C552 VanDerWaalsContact C-N 3.29Å; D550-C552 PolarHBondContact O-N 3.08Å; C552-L554 HydrophobicContact CB-CD1 4.47Å; C552-L554 HydrophobicContact CB-CD2 4.27Å; C552-L554 HydrophobicContact CB-CG 3.91Å
553	S	91.3	Very high	92.9	Very high	50 Å²	50	67.8 Å²	67.8	35%	0.35	34%	0.344	S	S	.	.			trans	-77.3	-37	-177.8	-62.4	0	0	0	0	113	K529 L531 R555	K529-S553 WeakPolarHBondContact O-CB 3.18Å; K529-S553 PolarHBondContact O-OG 3.1Å; L531-S553 PolarHBondContact O-N 3.15Å; S553-R555 PolarHBondContact O-N 3.45Å; S553-R555 PolarHBondContact OG-NH1 3.3Å
554	L	92	Very high	92.6	Very high	8 Å²	8	71.1 Å²	71.1	4%	0.042	36%	0.359	C	S	.	.			trans	43	39.4	178.6	-59.3	-178.1	0	0	0	114.2	L531 D532 L534 I549 C552 Q556 M557 T562	L531-L554 HydrophobicContact CG-CD2 4.23Å; L531-L554 PolarHBondContact O-N 3.3Å; D532-L554 CarbonylContact O-C 3.14Å; D532-L554 VanDerWaalsContact O-CA 3.28Å; D532-L554 WeakPolarHBondContact O-CA 3.31Å; L534-L554 HydrophobicContact CD1-CD2 4.38Å; L534-L554 HydrophobicContact CD2-CD2 4.4Å; L534-L554 HydrophobicContact CG-CD2 3.92Å; I549-L554 HydrophobicContact CB-CD1 4.4Å; I549-L554 HydrophobicContact CD1-CD1 3.93Å; C552-L554 HydrophobicContact CB-CD1 4.47Å; C552-L554 HydrophobicContact CB-CD2 4.27Å; C552-L554 HydrophobicContact CB-CG 3.91Å; L554-Q556 PolarHBondContact O-N 2.88Å; L554-Q556 VanDerWaalsContact O-N 3.15Å; L554-M557 HydrophobicContact CB-CB 4.42Å; L554-M557 HydrophobicContact CB-CG 4.39Å; L554-M557 HydrophobicContact CB-SD 4.48Å; L554-M557 HydrophobicContact CD1-SD 4.3Å; L554-M557 HydrophobicContact CD2-SD 4.29Å; L554-M557 PolarHBondContact O-N 3.33Å; L554-T562 HydrophobicContact CB-CG2 3.89Å; L554-T562 HydrophobicContact CD1-CG2 3.98Å
555	R	91.5	Very high	92.2	Very high	161 Å²	161	71.3 Å²	71.3	61%	0.608	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-26.5	-171.8	-69.8	-175.8	-75.5	-94.6	4.5	114.1	D532 S553 M557	D532-R555 VanDerWaalsContact CG-CZ 3.47Å; D532-R555 PolarHBondContact O-N 3.3Å; D532-R555 IonicContact OD1-CZ 3.88Å; D532-R555 IonicContact OD1-NE 3.53Å; D532-R555 PolarHBondContact OD1-NE 3.28Å; D532-R555 IonicContact OD1-NH1 3.49Å; D532-R555 PolarHBondContact OD1-NH1 3.38Å; D532-R555 IonicContact OD1-NH2 3.07Å; D532-R555 PolarHBondContact OD1-NH2 2.81Å; D532-R555 IonicContact OD2-CZ 2.62Å; D532-R555 VanDerWaalsContact OD2-CZ 3.31Å; D532-R555 IonicContact OD2-NE 2.98Å; D532-R555 PolarHBondContact OD2-NE 2.82Å; D532-R555 IonicContact OD2-NH2 3.83Å; D532-R555 PolarHBondContact OD2-NH2 2.75Å; S553-R555 PolarHBondContact O-N 3.45Å; S553-R555 PolarHBondContact OG-NH1 3.3Å; R555-M557 VanDerWaalsContact C-N 3.29Å
556	Q	91.6	Very high	92	Very high	131 Å²	131	62.7 Å²	62.7	61%	0.612	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.7	3.2	-179.9	-60.6	-175	28.4	0	0	112.6	D532 L533 L554	D532-Q556 HydrophobicContact CB-CG 4.41Å; D532-Q556 WeakPolarHBondContact O-CB 3.38Å; D532-Q556 PolarHBondContact O-N 2.87Å; L533-Q556 HydrophobicContact CB-CB 4.17Å; L533-Q556 HydrophobicContact CD1-CB 4.08Å; L554-Q556 PolarHBondContact O-N 2.88Å; L554-Q556 VanDerWaalsContact O-N 3.15Å
557	M	92	Very high	91.8	Very high	8 Å²	8	62.3 Å²	62.3	4%	0.039	35%	0.352	C	S	.	.	S	Bend	trans	-104	147	174.8	-59.6	-163.9	74	0	0	110.9	L533 L534 L554 R555 V559 T562 V569 Y572 L573	L533-M557 HydrophobicContact CD1-CG 3.96Å; L534-M557 HydrophobicContact CB-SD 4.23Å; L534-M557 HydrophobicContact CD1-SD 4.23Å; L534-M557 HydrophobicContact CG-SD 4.23Å; L554-M557 HydrophobicContact CB-CB 4.42Å; L554-M557 HydrophobicContact CB-CG 4.39Å; L554-M557 HydrophobicContact CB-SD 4.48Å; L554-M557 HydrophobicContact CD1-SD 4.3Å; L554-M557 HydrophobicContact CD2-SD 4.29Å; L554-M557 PolarHBondContact O-N 3.33Å; R555-M557 VanDerWaalsContact C-N 3.29Å; M557-V559 PolarHBondContact O-N 3.16Å; M557-T562 HydrophobicContact CB-CG2 3.61Å; M557-T562 HydrophobicContact SD-CG2 4.5Å; M557-V569 HydrophobicContact CE-CG1 3.92Å; M557-V569 HydrophobicContact SD-CG1 4.33Å; M557-Y572 HydrophobicContact CE-CD1 3.63Å; M557-Y572 HydrophobicContact CE-CE1 3.88Å; M557-L573 HydrophobicContact CE-CD2 3.96Å; M557-L573 HydrophobicContact CE-CG 4.26Å
558	P	92.1	Very high	91.6	Very high	51 Å²	51	63.5 Å²	63.5	33%	0.331	36%	0.362	S	S	.	.			trans	-56.2	127.8	176.4	-25.6	35.2	0	0	0	111.9	D560 I561 T562 Y572	P558-D560 VanDerWaalsContact C-N 3.26Å; P558-D560 PolarHBondContact O-N 3.38Å; P558-I561 HydrophobicContact CB-CB 4.33Å; P558-I561 HydrophobicContact CB-CD1 3.72Å; P558-I561 HydrophobicContact CB-CG1 4.15Å; P558-I561 HydrophobicContact CG-CD1 3.71Å; P558-I561 WeakPolarHBondContact O-CB 3.49Å; P558-I561 PolarHBondContact O-N 3.19Å; P558-T562 PolarHBondContact O-N 3.2Å; P558-T562 VanDerWaalsContact O-N 3.14Å; P558-Y572 HydrophobicContact CG-CE1 4.46Å; P558-Y572 HydrophobicContact CG-CE2 4.22Å
559	V	88.6	Confident	91.5	Very high	87 Å²	87	63.4 Å²	63.4	53%	0.527	36%	0.361	S	S	.	.	H	α-helix	trans	-59.3	-36	-173.3	175.1	0	0	0	0	112.4	M557 I561 T562 K563	M557-V559 PolarHBondContact O-N 3.16Å; V559-I561 VanDerWaalsContact C-N 3.28Å; V559-I561 PolarHBondContact O-N 3.03Å; V559-T562 WeakPolarHBondContact CA-OG1 3.41Å; V559-T562 PolarHBondContact O-N 3.42Å; V559-T562 PolarHBondContact O-OG1 2.97Å; V559-T562 VanDerWaalsContact O-OG1 3.07Å; V559-K563 HydrophobicContact CG1-CD 3.89Å; V559-K563 VanDerWaalsContact CG1-CE 3.49Å; V559-K563 HydrophobicContact CG1-CG 4.19Å; V559-K563 WeakPolarHBondContact O-CB 3.24Å; V559-K563 VanDerWaalsContact O-CG 3.28Å; V559-K563 WeakPolarHBondContact O-CG 3.32Å; V559-K563 PolarHBondContact O-N 3.21Å
560	D	92	Very high	91.3	Very high	117 Å²	117	63.7 Å²	63.7	63%	0.626	36%	0.362	S	S	*	.	H	α-helix	trans	-68	-31.8	179	-59.8	-33.8	0	0	0	111.9	P558 N564	P558-D560 VanDerWaalsContact C-N 3.26Å; P558-D560 PolarHBondContact O-N 3.38Å; D560-N564 WeakPolarHBondContact O-CB 3.49Å; D560-N564 PolarHBondContact O-N 3.2Å; D560-N564 PolarHBondContact O-ND2 3.47Å
561	I	91.2	Very high	91.3	Very high	36 Å²	36	64.4 Å²	64.4	19%	0.185	36%	0.359	C	S	.	.	H	α-helix	trans	-72.6	-44.9	177.2	-68.8	167.2	0	0	0	110.3	P558 V559 N564 S568 V569 Y572	P558-I561 HydrophobicContact CB-CB 4.33Å; P558-I561 HydrophobicContact CB-CD1 3.72Å; P558-I561 HydrophobicContact CB-CG1 4.15Å; P558-I561 HydrophobicContact CG-CD1 3.71Å; P558-I561 WeakPolarHBondContact O-CB 3.49Å; P558-I561 PolarHBondContact O-N 3.19Å; V559-I561 VanDerWaalsContact C-N 3.28Å; V559-I561 PolarHBondContact O-N 3.03Å; I561-N564 PolarHBondContact O-N 3.39Å; I561-S568 WeakPolarHBondContact O-CB 3.38Å; I561-V569 HydrophobicContact CG2-CB 4.48Å; I561-V569 HydrophobicContact CG2-CG2 4.02Å; I561-Y572 HydrophobicContact CD1-CD1 4.09Å; I561-Y572 HydrophobicContact CD1-CD2 3.18Å; I561-Y572 HydrophobicContact CD1-CE1 4.45Å; I561-Y572 HydrophobicContact CD1-CE2 3.62Å; I561-Y572 HydrophobicContact CD1-CG 3.42Å; I561-Y572 VanDerWaalsContact CD1-CG 3.42Å; I561-Y572 HydrophobicContact CG1-CG 4.48Å; I561-Y572 HydrophobicContact CG2-CD1 4.37Å; I561-Y572 HydrophobicContact CG2-CG 4.14Å
562	T	88.4	Confident	91.3	Very high	37 Å²	37	65.5 Å²	65.5	23%	0.227	35%	0.35	C	S	.	.	H	α-helix	trans	-69.7	-37.1	-179.7	55.8	0	0	0	0	112.2	L554 M557 P558 V559 N564 G565 V569	L554-T562 HydrophobicContact CB-CG2 3.89Å; L554-T562 HydrophobicContact CD1-CG2 3.98Å; M557-T562 HydrophobicContact CB-CG2 3.61Å; M557-T562 HydrophobicContact SD-CG2 4.5Å; P558-T562 PolarHBondContact O-N 3.2Å; P558-T562 VanDerWaalsContact O-N 3.14Å; V559-T562 WeakPolarHBondContact CA-OG1 3.41Å; V559-T562 PolarHBondContact O-N 3.42Å; V559-T562 PolarHBondContact O-OG1 2.97Å; V559-T562 VanDerWaalsContact O-OG1 3.07Å; T562-N564 VanDerWaalsContact C-N 3.31Å; T562-N564 PolarHBondContact O-N 3.45Å; T562-G565 PolarHBondContact O-N 3.33Å; T562-V569 HydrophobicContact CG2-CG2 4.4Å
563	K	88.2	Confident	91.3	Very high	158 Å²	158	64.6 Å²	64.6	69%	0.687	34%	0.344	S	S	*	.	H	α-helix	trans	-62.6	-34.4	173.9	-79.7	178.7	178.3	173.9	0	113.6	V559 G565	V559-K563 HydrophobicContact CG1-CD 3.89Å; V559-K563 VanDerWaalsContact CG1-CE 3.49Å; V559-K563 HydrophobicContact CG1-CG 4.19Å; V559-K563 WeakPolarHBondContact O-CB 3.24Å; V559-K563 VanDerWaalsContact O-CG 3.28Å; V559-K563 WeakPolarHBondContact O-CG 3.32Å; V559-K563 PolarHBondContact O-N 3.21Å; K563-G565 PolarHBondContact O-N 3.11Å; K563-G565 VanDerWaalsContact O-N 3.17Å
564	N	89.6	Confident	91.4	Very high	114 Å²	114	67 Å²	67	61%	0.61	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.4	10.9	178.5	-68.1	-23.2	0	0	0	113.3	D560 I561 T562 S568	D560-N564 WeakPolarHBondContact O-CB 3.49Å; D560-N564 PolarHBondContact O-N 3.2Å; D560-N564 PolarHBondContact O-ND2 3.47Å; I561-N564 PolarHBondContact O-N 3.39Å; T562-N564 VanDerWaalsContact C-N 3.31Å; T562-N564 PolarHBondContact O-N 3.45Å; N564-S568 WeakPolarHBondContact CB-OG 3.47Å; N564-S568 PolarHBondContact O-OG 3.14Å; N564-S568 VanDerWaalsContact O-OG 3.1Å
565	G	88.3	Confident	91.4	Very high	29 Å²	29	70.5 Å²	70.5	30%	0.299	37%	0.365	S	S	.	.	H	α-helix	trans	75.5	-177.2	172.3	0	0	0	0	0	114.7	T562 K563 A567 S568 V569	T562-G565 PolarHBondContact O-N 3.33Å; K563-G565 PolarHBondContact O-N 3.11Å; K563-G565 VanDerWaalsContact O-N 3.17Å; G565-A567 VanDerWaalsContact C-N 3.3Å; G565-A567 PolarHBondContact O-N 2.94Å; G565-S568 PolarHBondContact O-N 3.44Å; G565-S568 VanDerWaalsContact O-N 3.1Å; G565-V569 PolarHBondContact O-N 3.4Å
566	S	91.4	Very high	91.4	Very high	30 Å²	30	65.6 Å²	65.6	21%	0.21	35%	0.35	C	S	.	.	H	α-helix	trans	-60.8	-32.6	-166.5	-44.1	0	0	0	0	114.9	L547 S568 V569 I570	L547-S566 WeakPolarHBondContact O-CB 3.06Å; L547-S566 PolarHBondContact O-OG 2.85Å; S566-S568 VanDerWaalsContact C-N 3.34Å; S566-S568 PolarHBondContact O-N 2.87Å; S566-V569 PolarHBondContact O-N 2.99Å; S566-I570 WeakPolarHBondContact O-CG1 3.49Å; S566-I570 PolarHBondContact O-N 3.43Å
567	A	90.8	Very high	91.3	Very high	81 Å²	81	60.7 Å²	60.7	67%	0.669	33%	0.328	S	S	*	.	H	α-helix	trans	-64.8	-39.5	178.3	0	0	0	0	0	112	G565 I570 K571	G565-A567 VanDerWaalsContact C-N 3.3Å; G565-A567 PolarHBondContact O-N 2.94Å; A567-I570 PolarHBondContact O-N 3.01Å; A567-K571 PolarHBondContact O-N 3.02Å
568	S	93	Very high	91.2	Very high	37 Å²	37	63.6 Å²	63.6	26%	0.259	35%	0.348	S	S	.	.	H	α-helix	trans	-69.9	-40	178.9	-58.1	0	0	0	0	111.1	I561 N564 G565 S566 K571 Y572	I561-S568 WeakPolarHBondContact O-CB 3.38Å; N564-S568 WeakPolarHBondContact CB-OG 3.47Å; N564-S568 PolarHBondContact O-OG 3.14Å; N564-S568 VanDerWaalsContact O-OG 3.1Å; G565-S568 PolarHBondContact O-N 3.44Å; G565-S568 VanDerWaalsContact O-N 3.1Å; S566-S568 VanDerWaalsContact C-N 3.34Å; S566-S568 PolarHBondContact O-N 2.87Å; S568-K571 PolarHBondContact O-N 3.31Å; S568-Y572 WeakPolarHBondContact O-CB 3.3Å; S568-Y572 PolarHBondContact O-N 3.26Å
569	V	93.2	Very high	91	Very high	0 Å²	0	65.6 Å²	65.6	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-58.9	-49.7	173.1	170.4	0	0	0	0	111.4	L534 L547 I549 M557 I561 T562 G565 S566 K571 Y572 L573	L534-V569 HydrophobicContact CD1-CG1 3.65Å; L547-V569 HydrophobicContact CD2-CG1 4.47Å; I549-V569 HydrophobicContact CD1-CB 4.41Å; I549-V569 HydrophobicContact CD1-CG2 3.84Å; M557-V569 HydrophobicContact CE-CG1 3.92Å; M557-V569 HydrophobicContact SD-CG1 4.33Å; I561-V569 HydrophobicContact CG2-CB 4.48Å; I561-V569 HydrophobicContact CG2-CG2 4.02Å; T562-V569 HydrophobicContact CG2-CG2 4.4Å; G565-V569 PolarHBondContact O-N 3.4Å; S566-V569 PolarHBondContact O-N 2.99Å; V569-K571 PolarHBondContact O-N 3.17Å; V569-Y572 PolarHBondContact O-N 2.73Å; V569-L573 HydrophobicContact CG1-CD1 4.05Å; V569-L573 WeakPolarHBondContact O-CG 3.26Å; V569-L573 PolarHBondContact O-N 3.06Å
570	I	92.3	Very high	90.8	Very high	16 Å²	16	66 Å²	66	8%	0.082	35%	0.351	C	S	.	.	H	α-helix	trans	-62.7	-41.7	178.5	-70.5	-62.7	0	0	0	111.8	L538 L544 L547 S566 A567 L573 R574	L538-I570 HydrophobicContact CD2-CD1 4.13Å; L538-I570 HydrophobicContact CG-CD1 4.21Å; L544-I570 HydrophobicContact CD2-CD1 3.68Å; L544-I570 HydrophobicContact CD2-CG1 4.25Å; L547-I570 HydrophobicContact CD2-CD1 3.79Å; L547-I570 HydrophobicContact CD2-CG1 3.8Å; S566-I570 WeakPolarHBondContact O-CG1 3.49Å; S566-I570 PolarHBondContact O-N 3.43Å; A567-I570 PolarHBondContact O-N 3.01Å; I570-L573 PolarHBondContact O-N 2.89Å; I570-R574 WeakPolarHBondContact O-CG 3.21Å; I570-R574 PolarHBondContact O-N 3.19Å
571	K	92.6	Very high	90.3	Very high	137 Å²	137	64 Å²	64	60%	0.596	34%	0.34	S	S	*	.	H	α-helix	trans	-59.6	-48.2	175.9	-175.5	-178.4	176	-174.9	0	111.2	A567 S568 V569 L573 R574 D575	A567-K571 PolarHBondContact O-N 3.02Å; S568-K571 PolarHBondContact O-N 3.31Å; V569-K571 PolarHBondContact O-N 3.17Å; K571-L573 PolarHBondContact O-N 3.41Å; K571-R574 WeakPolarHBondContact O-CB 3.36Å; K571-R574 PolarHBondContact O-N 3.32Å; K571-D575 PolarHBondContact O-N 3.07Å
572	Y	93.8	Very high	90	Very high	66 Å²	66	71.4 Å²	71.4	26%	0.259	37%	0.366	S	S	.	.	H	α-helix	trans	-58	-44.9	177.8	172.1	-110	0	0	0	112.8	M557 P558 I561 S568 V569 R574 D575 L576	M557-Y572 HydrophobicContact CE-CD1 3.63Å; M557-Y572 HydrophobicContact CE-CE1 3.88Å; P558-Y572 HydrophobicContact CG-CE1 4.46Å; P558-Y572 HydrophobicContact CG-CE2 4.22Å; I561-Y572 HydrophobicContact CD1-CD1 4.09Å; I561-Y572 HydrophobicContact CD1-CD2 3.18Å; I561-Y572 HydrophobicContact CD1-CE1 4.45Å; I561-Y572 HydrophobicContact CD1-CE2 3.62Å; I561-Y572 HydrophobicContact CD1-CG 3.42Å; I561-Y572 VanDerWaalsContact CD1-CG 3.42Å; I561-Y572 HydrophobicContact CG1-CG 4.48Å; I561-Y572 HydrophobicContact CG2-CD1 4.37Å; I561-Y572 HydrophobicContact CG2-CG 4.14Å; S568-Y572 WeakPolarHBondContact O-CB 3.3Å; S568-Y572 PolarHBondContact O-N 3.26Å; V569-Y572 PolarHBondContact O-N 2.73Å; Y572-R574 VanDerWaalsContact C-N 3.32Å; Y572-R574 PolarHBondContact O-N 3.24Å; Y572-D575 PolarHBondContact O-N 2.97Å; Y572-L576 HydrophobicContact CD1-CD1 4.14Å; Y572-L576 HydrophobicContact CD2-CG 4.46Å; Y572-L576 HydrophobicContact CE1-CD1 3.51Å; Y572-L576 HydrophobicContact CE1-CG 4.26Å; Y572-L576 HydrophobicContact CE2-CD1 4.16Å; Y572-L576 HydrophobicContact CE2-CD2 4.27Å; Y572-L576 HydrophobicContact CE2-CG 4.09Å; Y572-L576 WeakPolarHBondContact O-CG 3.37Å; Y572-L576 PolarHBondContact O-N 3.46Å
573	L	94.1	Very high	89.5	Confident	3 Å²	3	74.8 Å²	74.8	2%	0.016	38%	0.382	C	S	.	.	H	α-helix	trans	-64.2	-37.2	178	-64.7	171.2	0	0	0	111.9	L534 L538 M557 V569 I570 K571 L577	L534-L573 HydrophobicContact CB-CD1 4.08Å; L534-L573 HydrophobicContact CD1-CD1 4.47Å; L538-L573 HydrophobicContact CB-CD1 4.08Å; L538-L573 HydrophobicContact CD2-CD1 4Å; M557-L573 HydrophobicContact CE-CD2 3.96Å; M557-L573 HydrophobicContact CE-CG 4.26Å; V569-L573 HydrophobicContact CG1-CD1 4.05Å; V569-L573 WeakPolarHBondContact O-CG 3.26Å; V569-L573 PolarHBondContact O-N 3.06Å; I570-L573 PolarHBondContact O-N 2.89Å; K571-L573 PolarHBondContact O-N 3.41Å; L573-L577 WeakPolarHBondContact O-CB 3.2Å; L573-L577 PolarHBondContact O-N 3.24Å
574	R	92.5	Very high	88.8	Confident	99 Å²	99	71.2 Å²	71.2	37%	0.374	38%	0.376	S	S	.	.	H	α-helix	trans	-65.4	-39.7	173.9	-74.8	174.1	178.8	165.1	2.4	112.8	G539 L541 I570 K571 Y572 L577 C578	G539-R574 VanDerWaalsContact O-CG 3.23Å; G539-R574 WeakPolarHBondContact O-CG 3.21Å; G539-R574 PolarHBondContact O-NE 3.1Å; L541-R574 PolarHBondContact O-NH2 3.39Å; L541-R574 VanDerWaalsContact O-NH2 3.14Å; I570-R574 WeakPolarHBondContact O-CG 3.21Å; I570-R574 PolarHBondContact O-N 3.19Å; K571-R574 WeakPolarHBondContact O-CB 3.36Å; K571-R574 PolarHBondContact O-N 3.32Å; Y572-R574 VanDerWaalsContact C-N 3.32Å; Y572-R574 PolarHBondContact O-N 3.24Å; R574-L577 PolarHBondContact O-N 2.89Å; R574-C578 PolarHBondContact O-N 3.01Å; R574-C578 PolarHBondContact O-SG 2.91Å
575	D	93	Very high	87.8	Confident	83 Å²	83	73.3 Å²	73.3	44%	0.444	38%	0.382	S	S	.	.	H	α-helix	trans	-66.1	-44.1	177.5	-67.4	-22.1	0	0	0	110.8	K571 Y572 L577 C578 I579	K571-D575 PolarHBondContact O-N 3.07Å; Y572-D575 PolarHBondContact O-N 2.97Å; D575-L577 VanDerWaalsContact C-N 3.33Å; D575-L577 PolarHBondContact O-N 3.41Å; D575-C578 WeakPolarHBondContact O-CB 3.29Å; D575-C578 PolarHBondContact O-N 2.88Å; D575-I579 WeakPolarHBondContact O-CG1 3.45Å; D575-I579 PolarHBondContact O-N 3Å; D575-I579 VanDerWaalsContact O-N 3.15Å
576	L	91.8	Very high	86.2	Confident	57 Å²	57	76.3 Å²	76.3	30%	0.298	39%	0.394	S	S	.	.	H	α-helix	trans	-58.5	-45.3	172.9	-72.6	-178.2	0	0	0	111.4	I536 Y572 C578 I579 H580	I536-L576 HydrophobicContact CD1-CB 3.62Å; I536-L576 HydrophobicContact CG1-CB 3.84Å; Y572-L576 HydrophobicContact CD1-CD1 4.14Å; Y572-L576 HydrophobicContact CD2-CG 4.46Å; Y572-L576 HydrophobicContact CE1-CD1 3.51Å; Y572-L576 HydrophobicContact CE1-CG 4.26Å; Y572-L576 HydrophobicContact CE2-CD1 4.16Å; Y572-L576 HydrophobicContact CE2-CD2 4.27Å; Y572-L576 HydrophobicContact CE2-CG 4.09Å; Y572-L576 WeakPolarHBondContact O-CG 3.37Å; Y572-L576 PolarHBondContact O-N 3.46Å; L576-C578 VanDerWaalsContact C-N 3.29Å; L576-C578 PolarHBondContact O-N 3.34Å; L576-I579 PolarHBondContact O-N 3.2Å; L576-I579 VanDerWaalsContact O-N 3.11Å; L576-H580 PolarHBondContact O-N 3.1Å
577	L	89.3	Confident	84.2	Confident	28 Å²	28	80 Å²	80	15%	0.147	42%	0.418	C	S	.	.	H	α-helix	trans	-61.2	-40	-178.7	-171.3	72.4	0	0	0	111.2	I536 M540 L573 R574 D575 I579 H580 N581	I536-L577 HydrophobicContact CD1-CB 4.35Å; I536-L577 HydrophobicContact CD1-CD1 4.41Å; I536-L577 HydrophobicContact CG1-CB 3.98Å; I536-L577 HydrophobicContact CG1-CD1 4.12Å; I536-L577 HydrophobicContact CG2-CD1 4.5Å; M540-L577 HydrophobicContact CG-CD1 4.4Å; M540-L577 HydrophobicContact CG-CD2 3.44Å; M540-L577 VanDerWaalsContact CG-CD2 3.44Å; L573-L577 WeakPolarHBondContact O-CB 3.2Å; L573-L577 PolarHBondContact O-N 3.24Å; R574-L577 PolarHBondContact O-N 2.89Å; D575-L577 VanDerWaalsContact C-N 3.33Å; D575-L577 PolarHBondContact O-N 3.41Å; L577-I579 VanDerWaalsContact C-N 3.34Å; L577-I579 PolarHBondContact O-N 3.03Å; L577-H580 PolarHBondContact O-N 3.29Å; L577-N581 WeakPolarHBondContact O-CB 3.28Å; L577-N581 VanDerWaalsContact O-CG 3.32Å; L577-N581 PolarHBondContact O-N 3.26Å; L577-N581 PolarHBondContact O-ND2 3.23Å
578	C	88.5	Confident	82.4	Confident	70 Å²	70	83.4 Å²	83.4	47%	0.473	43%	0.43	S	S	.	.	H	α-helix	trans	-60.4	-42.2	174	-68.6	0	0	0	0	112.3	R574 D575 L576 R582	R574-C578 PolarHBondContact O-N 3.01Å; R574-C578 PolarHBondContact O-SG 2.91Å; D575-C578 WeakPolarHBondContact O-CB 3.29Å; D575-C578 PolarHBondContact O-N 2.88Å; L576-C578 VanDerWaalsContact C-N 3.29Å; L576-C578 PolarHBondContact O-N 3.34Å; C578-R582 VanDerWaalsContact O-CG 3.31Å; C578-R582 WeakPolarHBondContact O-CG 3.49Å; C578-R582 PolarHBondContact O-N 3.16Å
579	I	87.9	Confident	80.1	Confident	92 Å²	92	91 Å²	91	47%	0.472	48%	0.475	S	S	.	.	H	α-helix	trans	-66.8	-47.5	178	-65.5	165.4	0	0	0	110.2	D575 L576 L577 N581 R582 I583	D575-I579 WeakPolarHBondContact O-CG1 3.45Å; D575-I579 PolarHBondContact O-N 3Å; D575-I579 VanDerWaalsContact O-N 3.15Å; L576-I579 PolarHBondContact O-N 3.2Å; L576-I579 VanDerWaalsContact O-N 3.11Å; L577-I579 VanDerWaalsContact C-N 3.34Å; L577-I579 PolarHBondContact O-N 3.03Å; I579-N581 PolarHBondContact O-N 3.07Å; I579-R582 PolarHBondContact O-N 2.65Å; I579-R582 VanDerWaalsContact O-N 3.16Å; I579-I583 HydrophobicContact CG2-CD1 3.71Å; I579-I583 HydrophobicContact CG2-CG1 4.44Å; I579-I583 WeakPolarHBondContact O-CG1 3.49Å; I579-I583 PolarHBondContact O-N 2.69Å
580	H	84.1	Confident	79.4	Confident	97 Å²	97	95.5 Å²	95.5	45%	0.449	50%	0.498	S	S	.	.	H	α-helix	trans	-57.5	-48	179	-173.7	73.5	0	0	0	111.6	I536 L576 L577 R582 I583 C584	I536-H580 HydrophobicContact CD1-CB 4.01Å; L576-H580 PolarHBondContact O-N 3.1Å; L577-H580 PolarHBondContact O-N 3.29Å; H580-R582 VanDerWaalsContact C-N 3.3Å; H580-R582 PolarHBondContact O-N 3.15Å; H580-I583 PolarHBondContact O-N 3.01Å; H580-C584 PolarHBondContact O-N 3.2Å; H580-C584 PolarHBondContact O-SG 2.83Å
581	N	83.4	Confident	78.8	Confident	74 Å²	74	99.7 Å²	99.7	40%	0.396	52%	0.52	S	S	.	.	H	α-helix	trans	-61.7	-35.3	177.7	-73.8	-19.5	0	0	0	113	L577 I579 Q585	L577-N581 WeakPolarHBondContact O-CB 3.28Å; L577-N581 VanDerWaalsContact O-CG 3.32Å; L577-N581 PolarHBondContact O-N 3.26Å; L577-N581 PolarHBondContact O-ND2 3.23Å; I579-N581 PolarHBondContact O-N 3.07Å; N581-Q585 WeakPolarHBondContact O-CB 3.28Å; N581-Q585 WeakPolarHBondContact O-CG 3.32Å; N581-Q585 PolarHBondContact O-N 3.3Å; N581-Q585 VanDerWaalsContact O-N 3.14Å
582	R	83.3	Confident	78	Confident	191 Å²	191	97.6 Å²	97.6	72%	0.721	52%	0.516	S	S	*	.	H	α-helix	trans	-68.7	-39.4	176.2	-74.6	174.9	-176.3	-175	2.3	112.6	C578 I579 H580 T586	C578-R582 VanDerWaalsContact O-CG 3.31Å; C578-R582 WeakPolarHBondContact O-CG 3.49Å; C578-R582 PolarHBondContact O-N 3.16Å; I579-R582 PolarHBondContact O-N 2.65Å; I579-R582 VanDerWaalsContact O-N 3.16Å; H580-R582 VanDerWaalsContact C-N 3.3Å; H580-R582 PolarHBondContact O-N 3.15Å; R582-T586 PolarHBondContact O-N 3.03Å
583	I	79.1	Confident	77.1	Confident	109 Å²	109	99.5 Å²	99.5	56%	0.559	53%	0.531	S	S	*	.	H	α-helix	trans	-71.3	-37.4	178.9	-63.7	167.4	0	0	0	110.9	I579 H580 T586	I579-I583 HydrophobicContact CG2-CD1 3.71Å; I579-I583 HydrophobicContact CG2-CG1 4.44Å; I579-I583 WeakPolarHBondContact O-CG1 3.49Å; I579-I583 PolarHBondContact O-N 2.69Å; H580-I583 PolarHBondContact O-N 3.01Å; I583-T586 PolarHBondContact O-OG1 3.49Å
584	C	73.5	Confident	76	Confident	83 Å²	83	105.5 Å²	105.5	56%	0.561	56%	0.563	S	S	*	*	H	α-helix	trans	-77.9	-20.5	179.4	-66.5	0	0	0	0	113.7	H580	H580-C584 PolarHBondContact O-N 3.2Å; H580-C584 PolarHBondContact O-SG 2.83Å
585	Q	67.9	Low	74.9	Confident	158 Å²	158	105.9 Å²	105.9	74%	0.738	58%	0.576	S	S	*	*	H	α-helix	trans	-86.6	-11.7	176.1	-75	179.1	4.1	0	0	113.9	N581 P587	N581-Q585 WeakPolarHBondContact O-CB 3.28Å; N581-Q585 WeakPolarHBondContact O-CG 3.32Å; N581-Q585 PolarHBondContact O-N 3.3Å; N581-Q585 VanDerWaalsContact O-N 3.14Å; Q585-P587 VanDerWaalsContact O-CD 3.31Å; Q585-P587 WeakPolarHBondContact O-CD 3.38Å
586	T	54.2	Low	73.6	Confident	91 Å²	91	107.6 Å²	107.6	56%	0.558	59%	0.586	S	S	*	*	S	Bend	trans	-71.2	117.6	169.1	35.7	0	0	0	0	109.1	R582 I583 V588	R582-T586 PolarHBondContact O-N 3.03Å; I583-T586 PolarHBondContact O-OG1 3.49Å; T586-V588 PolarHBondContact O-N 3.25Å
587	P	49.9	Very low	72.2	Confident	109 Å²	109	111.5 Å²	111.5	71%	0.708	61%	0.608	S	S	*	*			trans	-56.8	130.1	168.8	-13.9	27.1	0	0	0	107.5	Q585 T589	Q585-P587 VanDerWaalsContact O-CD 3.31Å; Q585-P587 WeakPolarHBondContact O-CD 3.38Å; P587-T589 PolarHBondContact O-N 3.01Å
588	V	52.9	Low	70.8	Confident	152 Å²	152	118.4 Å²	118.4	92%	0.921	65%	0.646	S	S	*	*			trans	-66.7	96.7	161.8	-177	0	0	0	0	104.8	T586	T586-V588 PolarHBondContact O-N 3.25Å
589	T	44.6	Very low	69.2	Low	195 Å²	195	122.8 Å²	122.8	100%	1.196	66%	0.662	S	S	*	*			trans	-62.9	0	173.4	47.4	0	0	0	0	110.9	P587	P587-T589 PolarHBondContact O-N 3.01Å

Retrieved 589 of 589 residues in 1083.2 ms (Link to these results)

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